smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)[C@H](C)SCc1cccc2cccnc12 463217153 BJEZMGXXLODBHF-LBPRGKRZSA-N 245.391 4.513 0 20 BJAD CC/C=C\CCSCCCCOC(C)(C)C 473796497 YDFZPHMHKDLQBM-SREVYHEPSA-N 244.444 4.671 0 20 BJAD C[C@@H](Sc1ccc(Cl)cc1)c1ccncc1 619950352 SLZSNBRCXKKGQO-SNVBAGLBSA-N 249.766 4.588 0 20 BJAD CCC(CC)CSc1cccc2cccnc12 1188530742 NLAKLNZTCZXJPY-UHFFFAOYSA-N 245.391 4.763 0 20 BJAD CC(C)COc1c(Cl)ccc2ccccc12 1473072417 NDOOERNLGZXMLT-UHFFFAOYSA-N 234.726 4.528 0 20 BJAD CC[C@H](C)[C@H](C)Sc1cc(C)ccc1C 1656064968 KVMMUPRRZWIZSQ-AAEUAGOBSA-N 222.397 4.830 0 20 BJAD Cc1ccc(CNc2cccc(C(C)C)c2)s1 21812821 CRYCXQCGMCVKNY-UHFFFAOYSA-N 245.391 4.792 0 20 BJAD CCCCN(C)c1ccc(-c2ccccc2)cc1 38918873 AAFJWWLATQUCEF-UHFFFAOYSA-N 239.362 4.590 0 20 BJAD CCC1CCC(NCCC2CCCCC2)CC1 109898108 PZLNHCROSUBPHY-UHFFFAOYSA-N 237.431 4.515 0 20 BJAD CCC[C@@H](C)Sc1ccc(Cl)cc1 207065259 SDLQDVSAMWSRQU-SECBINFHSA-N 214.761 4.621 0 20 BJAD CC[C@@H]1CCC[C@@H](CNc2ccc(C)cc2)C1 394612543 JPYGXSFPFNUGAB-HUUCEWRRSA-N 231.383 4.623 0 20 BJAD Fc1cccc(-c2nc(C3CCCC3)cs2)c1 437673080 KKKWCEADENWMFB-UHFFFAOYSA-N 247.338 4.607 0 20 BJAD C[C@H](Sc1ccccc1)c1cccc(F)c1 615939642 BWSLSTXGCAXJDE-NSHDSACASA-N 232.323 4.679 0 20 BJAD Clc1ccccc1-c1ccnc2ccccc12 644614788 AXZBAYWIJDNFKA-UHFFFAOYSA-N 239.705 4.555 0 20 BJAD CCc1cc(NC2CCC(CC)CC2)ccc1F 690103303 SAXZAXUZPJWLNV-UHFFFAOYSA-N 249.373 4.769 0 20 BJAD C[C@H]1CC[C@H](Nc2cccc(C3CCC3)c2)C1 709667581 AMJABRSKKIPLEG-LRDDRELGSA-N 229.367 4.555 0 20 BJAD c1cc(C2CCC2)ccc1N[C@H]1CCC[C@@H]2C[C@H]12 1205535532 OSEOBILGQYYJJQ-PVAVHDDUSA-N 241.378 4.555 0 20 BJAD CC(C)(C)CCOc1cc(Cl)cc(Cl)c1 1307248002 UIFVSFIAXVDLFS-UHFFFAOYSA-N 247.165 4.808 0 20 BJAD CC[C@H](C)C[C@H](CC)N[C@@H](CC)[C@H]1CC1(C)C 1308825541 ZMVJRPASUJSXKV-XQLPTFJDSA-N 239.447 4.616 0 20 BJAD C1CCCC(NC[C@@H]2CCC[C@@H]2C2CC2)CCC1 1474581300 QNTDNJMKPGCCME-DOTOQJQBSA-N 249.442 4.515 0 20 BJAD CCC[C@@]1(C)CCCN(CCCC(C)(C)C)C1 1641887648 QIQDZHYMJSPOMZ-INIZCTEOSA-N 239.447 4.715 0 20 BJAD CCC(CC)CNc1ccc2ccccc2c1 36951930 JHWGYZKXZBJCAH-UHFFFAOYSA-N 227.351 4.688 0 20 BJAD CCC[C@H](N[C@@H](C)CCCC(C)C)C1CCC1 322849950 PDSXEFQLFJREEH-HOCLYGCPSA-N 239.447 4.760 0 20 BJAD CC[C@H](Nc1cc(C)cc(F)c1)c1ccsc1 382084992 GDCJNLBWOLVRFM-AWEZNQCLSA-N 249.354 4.759 0 20 BJAD C[C@H](CN[C@H](C)CC1CCCCC1)C(C)(C)C 689833109 XTAPARPRTQTTLV-ZIAGYGMSSA-N 239.447 4.617 0 20 BJAD C[C@H](CC1CCCCC1)N[C@H](C)CC1CCC1 694617411 HQVMQALITAJTAC-ZIAGYGMSSA-N 237.431 4.514 0 20 BJAD CC[C@H](C)CN(C)C[C@@H](C)CC1CCCCC1 1204867221 VGGKRYDJUFAFTN-GJZGRUSLSA-N 239.447 4.571 0 20 BJAD CC[C@@H](C)CSCc1ccccc1SC 1559387224 QIRLOUDEJMRVIF-LLVKDONJSA-N 240.437 4.688 0 20 BJAD C[C@@H]1CCC[C@@H](Sc2ccc3c(c2)CCC3)C1 1613426983 SYVXLGKXKGJMMG-IUODEOHRSA-N 246.419 4.846 0 20 BJAD CCC[C@@H](N[C@@H]1CCCC(C)(C)C1)C(C)(C)C 1621343689 VVPPJZFUILYYHQ-ZIAGYGMSSA-N 239.447 4.760 0 20 BJAD CN(CCCC(C)(C)C)CCC1CCCCC1 1641657275 WCQSDBYUKHQGON-UHFFFAOYSA-N 239.447 4.715 0 20 BJAD Cc1cccc(C(C)(C)NC[C@H](C)CC(C)C)c1 1642469516 RNLSPYWELKMWJQ-OAHLLOKOSA-N 247.426 4.502 0 20 BJAD C[C@H](SCC1(C)CCCCC1)C(F)(F)F 1652846335 OQHPEBXSOKZWJE-VIFPVBQESA-N 240.334 4.641 0 20 BJAD Cc1cc([C@@H](C)Nc2cccc(F)c2)c(C)s1 21802352 RBJPARIWGFPXPY-SNVBAGLBSA-N 249.354 4.677 0 20 BJAD CCCC[C@@H](CC)CN[C@H](C)c1ccccc1C 21809920 NEHUPICNQOKENP-HZPDHXFCSA-N 247.426 4.862 0 20 BJAD CCCC1(CN[C@H]2CCCC(C)(C)C2)CCC1 391810775 NHUWJIOCVRFPJQ-AWEZNQCLSA-N 237.431 4.515 0 20 BJAD C[C@H](Nc1cccc(C(F)F)c1)C1CCCC1 395443240 VRCFZLPWXKCXOE-JTQLQIEISA-N 239.309 4.615 0 20 BJAD Cc1cccc([C@@H](C)Sc2nc(C)cs2)c1 742448030 VYMPMACFBWTWRY-LLVKDONJSA-N 249.404 4.613 0 20 BJAD CC[C@H](C)[C@H](C)SCc1cc(C)ccc1C 1165664038 ORXLRPMXNJKZOZ-JSGCOSHPSA-N 236.424 4.971 0 20 BJAD CC(C)(CNC1CCCCC1)C1CCCCC1 1461364153 OPULBOROCFCOHG-UHFFFAOYSA-N 237.431 4.515 0 20 BJAD CCN(CC1CCC(C)(C)CC1)[C@@H](C)C(C)C 1559506061 TTZBKVUUYQVHKY-AWEZNQCLSA-N 239.447 4.569 0 20 BJAD CCCC[C@@H](C)N[C@@H](CC)CCc1ccccc1 1560931201 AIJZVGSYWXPPMW-WBVHZDCISA-N 247.426 4.566 0 20 BJAD Clc1cccc(Cl)c1SCC1CCC1 1651576228 QIGXHOQHIUCDRW-UHFFFAOYSA-N 247.190 4.886 0 20 BJAD CC1(C)CCC[C@H](CN[C@H]2CCC23CCCC3)C1 1652671901 SSYJEGHYJNKGCL-GJZGRUSLSA-N 249.442 4.515 0 20 BJAD c1cc2c3c(ccc(SC4CCC4)c3c1)CC2 1653036944 JCFAYNJNGKTECS-UHFFFAOYSA-N 240.371 4.583 0 20 BJAD CCCCN(Cc1c(C)cccc1C)CC(C)C 1653987552 SUTITRLSJDTHDX-UHFFFAOYSA-N 247.426 4.562 0 20 BJAD CCC(CC)CN(C)C[C@@H](C)C1CCCCC1 1659731936 DOWFQVOFYRPGIO-CQSZACIVSA-N 239.447 4.571 0 20 BJAD C[C@@H](C[C@H](C)c1ccccc1)c1ccccc1 1685166 HAOVWJDLQGPYLW-GJZGRUSLSA-N 224.347 4.984 0 20 BJAD CC(C)c1ccc(NCc2cccc(F)c2)cc1 20546448 XGICXDFVNOWRHE-UHFFFAOYSA-N 243.325 4.561 0 20 BJAD CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCC(C)(C)C1 149576809 XKCRYKPKPYUYPW-RRFJBIMHSA-N 239.447 4.760 0 20 BJAD CCC(CC)(CC)CNCc1cccc(C)c1C 391154348 YHDIZERZIZMZTC-UHFFFAOYSA-N 247.426 4.609 0 20 BJAD C1CCC(N(CCC2CCCC2)CC2CC2)CC1 1559523162 IUGUDYCZQRXLSB-UHFFFAOYSA-N 249.442 4.611 0 20 BJAD CCCC[C@@H](C)N(C)C[C@H](C)c1ccc(C)cc1 1560869354 FJINJNJCGGYGCY-JKSUJKDBSA-N 247.426 4.609 0 20 BJAD CCCC[C@@H](CCC)SC1CCC1 1641145939 TXKXRUWWZJSFPZ-LLVKDONJSA-N 200.391 4.631 0 20 BJAD CC[C@@H](C)[C@@H](C)Sc1cc(C)ccc1C 1656064969 KVMMUPRRZWIZSQ-DGCLKSJQSA-N 222.397 4.830 0 20 BJAD CC[C@H](C)CSCc1cccc(Cl)c1F 1656375771 ZYZIYYIFQIXIIL-VIFPVBQESA-N 246.778 4.758 0 20 BJAD CCCC(CCC)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1665009813 SOULHSMMRJDAIL-QLFBSQMISA-N 239.447 4.760 0 20 BJAD CSc1ccc(N[C@H](C)c2ccccc2)cc1 19906360 HQTSUPJUCNMCPO-GFCCVEGCSA-N 243.375 4.582 0 20 BJAD CC(C)c1csc(-c2cc3ccccc3o2)n1 134616665 QICGRNUYAVZFKP-UHFFFAOYSA-N 243.331 4.680 0 20 BJAD Cc1cc(Cl)ccc1CNc1ccccc1C 235776946 YLIOIOGIRHDHIY-UHFFFAOYSA-N 245.753 4.569 0 20 BJAD CC[C@H](C)C[C@@H](CC)N[C@H]1CCCC(C)(C)C1 252021106 XKCRYKPKPYUYPW-ZNMIVQPWSA-N 239.447 4.760 0 20 BJAD CCC[C@@H](NCc1ccc(C)cc1C)C(C)(C)C 1307776576 RIWVQRQHKUGHNQ-MRXNPFEDSA-N 247.426 4.608 0 20 BJAD CCCN(CCC)[C@@H](C)c1ccc(C(C)C)cc1 1615168798 HPMATLSDHRDXAX-HNNXBMFYSA-N 247.426 4.993 0 20 BJAD Fc1ccc(SCCC2CCC2)cc1Cl 1640759420 UHEQYXSOLLPCJX-UHFFFAOYSA-N 244.762 4.761 0 20 BJAD CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCCC12CCC2 1658221274 DJONONWCKUZCQY-OWCLPIDISA-N 249.442 4.515 0 20 BJAD CC[C@H]1CCC[C@@H](CN(C)CCC(C)(C)C)C1 1665086526 OIDCATLHMMAXMG-LSDHHAIUSA-N 239.447 4.571 0 20 BJAD CC(C)c1ccc(NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 250571116 KDTRZWFVGVFNEQ-CWRNSKLLSA-N 243.394 4.658 0 20 BJAD CC[C@@H](C)CCNC1CC(C)(C)CC(C)(C)C1 394406464 LJWYPCRFFFAEMK-CYBMUJFWSA-N 239.447 4.617 0 20 BJAD CC[C@H](C)CSCc1ccc(Cl)cc1 1613255397 UOZUKOJYDWGZSY-JTQLQIEISA-N 228.788 4.619 0 20 BJAD CCCC[C@H](CC)CN(C)[C@@H]1CCCC[C@H]1C 1645288554 ZKLIXMLOZDDZJU-OWCLPIDISA-N 239.447 4.713 0 20 BJAD CCC[C@@H]1CCCC[C@H]1NCCC1CCCC1 1653362622 LCGXUEZFNYWFIP-HZPDHXFCSA-N 237.431 4.515 0 20 BJAD C[C@@H]1CCC[C@@H](CNC2(C3CCCCC3)CC2)C1 1665874193 WZKITQZATPCWAN-HUUCEWRRSA-N 249.442 4.515 0 20 BJAD Cc1ccc(N[C@H]2CCCC[C@H]2C)cc1Cl 20016775 IGKGMGBMLLOTAM-RISCZKNCSA-N 237.774 4.639 0 20 BJAD Cc1ccccc1N[C@@H](C)c1ccccc1Cl 21502199 HCQRJMRQIYNWTH-LBPRGKRZSA-N 245.753 4.822 0 20 BJAD CCC(CC)=NNc1ccc(Cl)cc1Cl 58673256 AEIMCVTUQIISKW-UHFFFAOYSA-N 245.153 4.581 0 20 BJAD C[C@H](N[C@H]1CCCC(C)(C)C1)C1CCCCC1 79979013 GMSKVZNQCBTZCO-ZFWWWQNUSA-N 237.431 4.514 0 20 BJAD CC(C)CC(CC(C)C)NC[C@H](C)C(C)(C)C 162687416 XQYMNNXTKNMAFX-AWEZNQCLSA-N 241.463 4.719 0 20 BJAD CCCC(CCC)S[C@H](C)c1ccncc1 609782526 AYCHGAHEQRSOPD-GFCCVEGCSA-N 237.412 4.845 0 20 BJAD CCCC[C@H](CCC)NC1CCC(F)(F)CC1 678609467 OHCZAEZIPLFJAN-LBPRGKRZSA-N 247.373 4.513 0 20 BJAD CCN(C[C@H](C)CC(C)C)c1cccc(C)c1C 1191654338 HPPVVXXTFKKOIR-CQSZACIVSA-N 247.426 4.812 0 20 BJAD CC(C)CCCN1CCC(C)(C)c2ccccc21 1307812364 SCTPHTCVCDMHLM-UHFFFAOYSA-N 245.410 4.611 0 20 BJAD CCCC[C@H](N[C@H](C)c1ccccc1)C1CCC1 1459925958 NYYSJBKBVJGZNX-PBHICJAKSA-N 245.410 4.696 0 20 BJAD CCCC[C@@H](CC)CCCN(C)[C@H](C)CC 1473659597 JANDYQDVNDNNRB-HUUCEWRRSA-N 227.436 4.713 0 20 BJAD CC(C)c1ccc([C@@H](NCC2CC2)C(C)C)cc1 1653124191 PXHBOSYSUWHUOC-KRWDZBQOSA-N 245.410 4.507 0 20 BJAD CCC[C@H](C)Sc1cc(Cl)ccc1F 1656539559 KJHONDKCIDERPS-QMMMGPOBSA-N 232.751 4.760 0 20 BJAD CCC[C@H](CC)NCc1ccc(C2CCC2)cc1 1661351558 XHCKGLRMTQOSDV-KRWDZBQOSA-N 245.410 4.622 0 20 BJAD Cc1cc([C@@H](C)Nc2cccc(C)c2C)c(C)o1 20438436 HJFFVAYTAOGPHU-CYBMUJFWSA-N 243.350 4.686 0 20 BJAD Cc1ccc([C@H](C)Nc2cccc(F)c2C)s1 43319718 QBGXWJFOERPRJK-NSHDSACASA-N 249.354 4.677 0 20 BJAD CCCCN(CCCC)CCCc1ccccc1 149909467 RGZBOWVSBABSBH-UHFFFAOYSA-N 247.426 4.521 0 20 BJAD CC[C@H](CC1CCCCC1)NCC(C)(C)CC 720938937 BOKTVVVQAQSNGQ-OAHLLOKOSA-N 239.447 4.761 0 20 BJAD CC(C)(C)CCNc1ccccc1NC(C)(C)C 1621287706 KOIKTKPJEYTLBE-UHFFFAOYSA-N 248.414 4.745 0 20 BJAD CCCC[C@@H]1CCC[C@@H]1NC[C@@H](C)C(C)(C)C 1621526053 ZZBBBWCVGSIXCN-KFWWJZLASA-N 239.447 4.617 0 20 BJAD CC[C@@H]1CCC[C@H]1CNCC(CC)(CC)CC 1659239609 INDSWYTVCHBGMS-CABCVRRESA-N 239.447 4.619 0 20 BJAD Cc1ccc(NCc2ccccc2C)cc1Cl 19233424 KRWKFXIDVNOHIW-UHFFFAOYSA-N 245.753 4.569 0 20 BJAD COc1ccc(S[C@@H](C)c2ccccc2)cc1 71793915 VGNQOZWADDHBPW-LBPRGKRZSA-N 244.359 4.549 0 20 BJAD CC[C@H]1CCC[C@H](NCC2CCCCCC2)C1 89560461 MTINLKDYPARHAT-HOCLYGCPSA-N 237.431 4.515 0 20 BJAD CC[C@@H](Nc1ccc(C2CCC2)cc1)C1CC1 690150531 RGOZFZBNBZHFKT-MRXNPFEDSA-N 229.367 4.555 0 20 BJAD CC(C)C[C@@H](C)COc1c(F)cccc1Cl 1189004710 MUKCWTDOPOLJIT-SNVBAGLBSA-N 244.737 4.540 0 20 BJAD Cc1ccc(C)c(S[C@@H]2CCCC[C@H]2C)c1 1307259985 IUWJVTZCCRYLJO-TZMCWYRMSA-N 234.408 4.974 0 20 BJAD C1CCC(NC(C2CCCC2)C2CCCC2)CC1 1308952101 YZCVQSRMHQYJGA-UHFFFAOYSA-N 249.442 4.658 0 20 BJAD Cc1ccccc1SCc1c(C)cccc1C 1458919361 SAQQZPILPYAZIS-UHFFFAOYSA-N 242.387 4.904 0 20 BJAD CCC[C@H](C)SCc1cc(C)cc(C)c1 1613604491 PCYWPCLBVQQPSE-ZDUSSCGKSA-N 222.397 4.725 0 20 BJAD CC[C@@H]1C[C@H]1CS[C@@H]1CCCc2ccccc21 1656240137 LUDCYRMOVBPWBU-IVMMDQJWSA-N 246.419 4.843 0 20 BJAD CC(C)(C)[C@H]1CCC[C@@H]1NC1CCCCCC1 1656419881 RZALCNOLPWUAIW-GJZGRUSLSA-N 237.431 4.514 0 20 BJAD CSc1ccc(C)c(NCC2CCCCC2)c1 1657015934 ZBAWZEURVQNIBW-UHFFFAOYSA-N 249.423 4.709 0 20 BJAD CCC(C)(C)CCN1C[C@H](C)[C@@H]1c1ccccc1 1657483557 OGOXNHMVYCLGLF-GOEBONIOSA-N 245.410 4.506 0 20 BJAD C[C@H]1CCC[C@@H]([C@H](C)NC2CCCCCC2)C1 1658356649 JIZLYTXJJZNZAO-SOUVJXGZSA-N 237.431 4.514 0 20 BJAD CCc1cccc(N[C@H](C)c2ccccc2F)c1 20549431 KTEBRHSPNMOHHJ-GFCCVEGCSA-N 243.325 4.561 0 20 BJAD CCCCc1ccc(NCc2occc2C)cc1 229472518 JURRVQORIZCTOF-UHFFFAOYSA-N 243.350 4.543 0 20 BJAD Cc1ccc(S[C@@H]2CCC(C)(C)C2)s1 1166352831 HMUWSNBEEZFHPG-SNVBAGLBSA-N 226.410 4.727 0 20 BJAD CC(C)C[C@H]1CCCCN1C[C@H](C)C(C)(C)C 1459716873 DUPKZFGGZIBLAQ-LSDHHAIUSA-N 239.447 4.569 0 20 BJAD CC[C@H](C)[C@@H]1CCCCN1CCC(C)(C)CC 1473180575 YAPQQSVCLAHIEY-GJZGRUSLSA-N 239.447 4.713 0 20 BJAD C[C@H](CS[C@@H]1CC[C@@H](C)C1)c1ccccc1 1559408743 NPZVGVHTTWQTSV-UMVBOHGHSA-N 234.408 4.712 0 20 BJAD Cc1cccc(C(C)(C)NC[C@@H](C)CC(C)C)c1 1642469515 RNLSPYWELKMWJQ-HNNXBMFYSA-N 247.426 4.502 0 20 BJAD CCCN(CC1(C)CC1)[C@H](CC)c1ccccc1 1651947315 RRQDLFRWRDFSDS-MRXNPFEDSA-N 245.410 4.650 0 20 BJAD CC(C)Cc1ccc([C@@H](NC(C)C)C(C)C)cc1 1655981172 XWPCCMPXPBRCLJ-KRWDZBQOSA-N 247.426 4.580 0 20 BJAD OCCCCCCCCCCCc1ccccc1 115014814 CVZFWHWOAJIOAF-UHFFFAOYSA-N 248.410 4.732 0 20 BJAD c1cc(NCc2ccsc2)c2sccc2c1 309423533 BIZHWUMRCQDNIB-UHFFFAOYSA-N 245.372 4.575 0 20 BJAD CCC(CC)(CC)CN[C@@H]1CC(C)(C)C[C@H]1C 391149924 BFNNEDJJLXSBDH-ZIAGYGMSSA-N 239.447 4.617 0 20 BJAD CCCc1ccccc1NC[C@H]1CCCC[C@H]1C 394882363 LWOQGYYBCJVAKK-GDBMZVCRSA-N 245.410 4.877 0 20 BJAD CCc1cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C)ccc1F 690102617 NBSBYJLMDDPECK-MQIPJXDCSA-N 249.373 4.625 0 20 BJAD CCCC[C@@H](CC)CN1CCC[C@@H](CC)CC1 1190965279 DZMAWAYLLFYBPM-HZPDHXFCSA-N 239.447 4.715 0 20 BJAD CCC[C@H](C)SCc1cc(C)ccc1C 1559371620 UCMJZROYPXIMQR-ZDUSSCGKSA-N 222.397 4.725 0 20 BJAD Cc1ccc(SCCC(F)=C(F)F)c(C)c1 1643473461 MPEPTXVPOQKKNU-UHFFFAOYSA-N 246.297 4.863 0 20 BJAD CCC[C@H](CC)SCc1cccc(OC)c1 1656519257 BIVBEYSEHVWSEV-AWEZNQCLSA-N 238.396 4.507 0 20 BJAD C[C@@H]1CC[C@H](NC2CCC3(CCCCC3)CC2)C1 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Fc1ccc(SC2CCCCC2)cc1Cl 1652516664 TZZZSNLDVOPHFS-UHFFFAOYSA-N 244.762 4.904 0 20 BJAD Cc1ccsc1[C@H](C)Nc1cccc(C)c1F 310210376 FUSHCWRYNHLUQH-NSHDSACASA-N 249.354 4.677 0 20 BJAD CC[C@H]1CCC[C@H](CNc2ccc(F)c(C)c2)C1 394513643 LALIYCGQRASURT-KBPBESRZSA-N 249.373 4.762 0 20 BJAD CCCN(C[C@@H](C)CC)c1ccc(Cl)cc1 1167852951 SBPAVQDSCXCBQO-LBPRGKRZSA-N 239.790 4.603 0 20 BJAD Cc1ccc(CSc2cc(C)ccc2C)cc1 1188244120 NMVKUALDONBLKI-UHFFFAOYSA-N 242.387 4.904 0 20 BJAD Cc1ccccc1CS[C@H](C)c1ccccc1 1472918307 QUJQSMJDLRCWFG-CQSZACIVSA-N 242.387 4.989 0 20 BJAD C[C@@H]1CCC[C@@H](CCN(C2CCCC2)C2CC2)C1 1473158270 ILUYPNRYLYKJKO-CABCVRRESA-N 249.442 4.610 0 20 BJAD C[C@@H](CN(C)CCCC(C)(C)C)c1ccccc1 1559523509 UKOPBKXGQOWARA-HNNXBMFYSA-N 247.426 4.548 0 20 BJAD CCC[C@H](C)N[C@H](C)c1cccc2ccccc12 21047581 MBBATWUHKOCMEW-UONOGXRCSA-N 241.378 4.679 0 20 BJAD CC[C@@H]1CCC[C@@H](N[C@@H]2CCCC(C)(C)C2)C1 85063944 DIEHEXQYIYBLNG-RBSFLKMASA-N 237.431 4.514 0 20 BJAD CCCC[C@H](CC)CC(=O)Nc1ccccc1C 604935016 ORTSVLIGEPFQDE-AWEZNQCLSA-N 247.382 4.540 0 20 BJAD CCC(CC)SC[C@H](C)CC(C)C 1307299032 QYNXDKZBCMMRJF-LLVKDONJSA-N 202.407 4.590 0 20 BJAD C[C@@H](CCC1CCCC1)N[C@@H](C1CCC1)C1CC1 1308806077 LLILKNVLSNEJMA-GUYCJALGSA-N 249.442 4.514 0 20 BJAD Cc1ccc(C)c(CSCC(C)(C)C)c1 1473030753 TZOMRAFEZACIAZ-UHFFFAOYSA-N 222.397 4.583 0 20 BJAD CCCC[C@@H](CC)CN1CCCCC[C@@H]1CC 1559552720 KGSARWAYFKDYAI-CVEARBPZSA-N 239.447 4.857 0 20 BJAD CC(C)CC[C@@H](C)NC[C@@H]1CCCC(C)(C)C1 1655954953 KDWXCNPMIQKYEL-HUUCEWRRSA-N 239.447 4.617 0 20 BJAD CCCCc1ccc2cc(C)c(C)cc2c1 2539125 YMMIQATXLXCOPJ-UHFFFAOYSA-N 212.336 4.799 0 20 BJAD CCCN[C@H](c1ccc(CC(C)C)cc1)C(C)C 35573324 MJFPIJNYDUPXHG-KRWDZBQOSA-N 247.426 4.582 0 20 BJAD Cc1ccc(NC[C@H]2CCCC[C@H]2C)c(C)c1 394881525 KZTDPNPHJVDREX-UKRRQHHQSA-N 231.383 4.542 0 20 BJAD Cc1cc(C)c(CN[C@@H](C)CC(C)(C)C)c(C)c1 395005688 JDPPQQBBTPWWBV-HNNXBMFYSA-N 247.426 4.526 0 20 BJAD CC(C)SCCS[C@@H](C)c1cccs1 800834997 HFZZQYURYUWQDO-JTQLQIEISA-N 246.466 4.684 0 20 BJAD C[C@@H](CCN[C@H](C)CC(C)(C)C)CC(C)(C)C 1205418785 ZVFNVGOYVUMFOH-UONOGXRCSA-N 241.463 4.863 0 20 BJAD Cc1ccc(SCc2ccccc2F)cc1C 1643461485 XYKPCMODYWCHBS-UHFFFAOYSA-N 246.350 4.735 0 20 BJAD Cc1occc1SC[C@@H]1CCC[C@H](C)C1 1656452707 UVGAPRRTEXXDGU-CMPLNLGQSA-N 224.369 4.506 0 20 BJAD Cc1cccc(C)c1NCc1ccc(Cl)cc1 32102340 FOJIAQGFTNNUKK-UHFFFAOYSA-N 245.753 4.569 0 20 BJAD CCC[C@@H](CC)NCc1csc2ccccc12 54463691 JKDRQJRTQHYFTR-CYBMUJFWSA-N 247.407 4.570 0 20 BJAD CC[C@@H]1CCC[C@@H](CNc2ccc(C)c(C)c2)C1 394574271 RAJKICOPWCRZER-HZPDHXFCSA-N 245.410 4.932 0 20 BJAD C[C@H](COc1ccc(Cl)c(F)c1)C(C)(C)C 711227985 GKVHAYYDDKNBFP-SECBINFHSA-N 244.737 4.540 0 20 BJAD CC(C)C[C@@H]1CCCN([C@@H](C)c2ccccc2)C1 1192202295 ZIPKSYPGRXXACB-HOTGVXAUSA-N 245.410 4.506 0 20 BJAD CC[C@H](NCC[C@@H](C)CC(C)(C)C)C1CCC1 1308692149 HCNCWXMPGFQGPK-HIFRSBDPSA-N 239.447 4.617 0 20 BJAD FCc1ccc(CSCc2ccccc2)cc1 1458898917 OZOBQLJQNUOQSP-UHFFFAOYSA-N 246.350 4.590 0 20 BJAD CCC[C@@H](CC)SCc1cc(F)ccc1C 1559407630 IOARCDPFEMAOKA-CQSZACIVSA-N 240.387 4.946 0 20 BJAD C1CCCC2(CC1)CCCN(CCC1CCC1)C2 1559577005 SPMHIFLMUZLPGZ-UHFFFAOYSA-N 249.442 4.613 0 20 BJAD CCC[C@@H](Nc1ccc(F)c(CC)c1)C1CCC1 690121786 PCMASPHALCXDPL-MRXNPFEDSA-N 249.373 4.769 0 20 BJAD CC[C@H](C)CN(C)[C@@H](C)c1c(C)cc(C)cc1C 1167413567 WXEQMKMAOJOLFU-LRDDRELGSA-N 247.426 4.651 0 20 BJAD CCN(CCC(C)(C)CC)c1ccc(C)cc1C 1307535349 LWDBOKWIODPVAM-UHFFFAOYSA-N 247.426 4.956 0 20 BJAD CC[C@H]1CC[C@@H](C)N1Cc1cccc(C(C)C)c1 1459831877 DDSJFVYVOKPRFF-PBHICJAKSA-N 245.410 4.573 0 20 BJAD CC(C)C[C@H](C)CNC(C)(C)C1CCCCC1 1559792135 ZDELUUFWKAPALY-AWEZNQCLSA-N 239.447 4.617 0 20 BJAD C[C@@H]1CCCC[C@H]1CCNC1CCC2(CC1)CC2 1560335498 LFXWORMJYQYFBT-CABCVRRESA-N 249.442 4.515 0 20 BJAD CC[C@@H]1C[C@H]1CS[C@@H](C)c1ccccc1F 1652626914 SGMODATVGMNDLX-TUAOUCFPSA-N 238.371 4.666 0 20 BJAD CCc1cccc(NCc2ccccc2Cl)c1 21814112 VFZPWVYJWCOHNO-UHFFFAOYSA-N 245.753 4.515 0 20 BJAD Cc1cc(C)c(-c2cncc(C(F)F)c2)cc1C 665216103 RZVQGCLBEIYXLH-UHFFFAOYSA-N 247.288 4.611 0 20 BJAD CCC1(C)CCC(NC(C(C)C)C(C)C)CC1 1207806280 SNMDEZGMHGUISS-UHFFFAOYSA-N 239.447 4.616 0 20 BJAD CCC(CC)S[C@@H]1CCc2c(F)cccc21 1307298799 MCOZKJQDXSDAOF-CQSZACIVSA-N 238.371 4.735 0 20 BJAD Cc1cc(Cl)c(N[C@H](C)CC2CC2)cc1C 1308779872 VNCMKGQAEHCKFY-LLVKDONJSA-N 237.774 4.557 0 20 BJAD CC1(C)CCC(C)(CN[C@@H]2CCC23CCC3)CC1 1308818428 GZZQANHNVSUMEU-CQSZACIVSA-N 249.442 4.515 0 20 BJAD CC(C)CC[C@@H]1CC[C@@H](N[C@@H](C)CC(C)C)C1 1461368297 PFMMGWAMGGMIKL-ARFHVFGLSA-N 239.447 4.616 0 20 BJAD Cc1ccc(N(C)CCCC2CCCC2)c(C)c1 1559490258 UVVXJUFDMANZRK-UHFFFAOYSA-N 245.410 4.710 0 20 BJAD CCc1cccc(N(C)CCC2CCCCC2)c1 1560874005 JEMBGMYIWZMKEG-UHFFFAOYSA-N 245.410 4.656 0 20 BJAD Cc1nc(SC[C@H](C)CC(C)C)sc1C 1640946388 UVMVSZUBJGDKCP-SECBINFHSA-N 243.441 4.534 0 20 BJAD CC[C@H](SC1CCCC1)c1ccc(F)cc1 1643430181 NRKHDHIVSBHYGK-AWEZNQCLSA-N 238.371 4.953 0 20 BJAD C[C@@H](CCC1CC1)NCC[C@H](C)CC(C)(C)C 1652209642 JILVDZZDLZBDCF-KBPBESRZSA-N 239.447 4.617 0 20 BJAD CC(C)[C@@H](C)SCc1ccc(Cl)s1 1652686647 WLDUVEIBMOZUEF-MRVPVSSYSA-N 234.817 4.679 0 20 BJAD CC[C@H](N[C@@H](C)[C@H](C)CC)c1cc(C)ccc1C 1655333695 OZEDPQSWGOSDKW-KMFMINBZSA-N 247.426 4.779 0 20 BJAD CC[C@@H](C)CSc1cc(C)c2ccccc2n1 1656069228 DZSDMKNGXSKAEX-LLVKDONJSA-N 245.391 4.681 0 20 BJAD CC(C)C[C@H](C)CNCc1cccc(C(C)C)c1 1658911415 XOOMNFMKCWCADU-HNNXBMFYSA-N 247.426 4.582 0 20 BJAD CCC1CCC(N[C@@H](CC)c2ccccc2)CC1 103992177 ISGGUYKDCNJMTH-PREGVCBESA-N 245.410 4.696 0 20 BJAD CCCC[C@H](CC)CNC[C@H]1CCCC[C@H]1C 251416511 XZRYLLQYCPNZAM-OWCLPIDISA-N 239.447 4.619 0 20 BJAD Cc1cc([C@@H](C)Nc2cccc(C)c2F)cs1 381370787 MMSJWRFQWJYVBB-LLVKDONJSA-N 249.354 4.677 0 20 BJAD Cc1occc1SC[C@H]1CCCC(F)(F)C1 509084045 PUEAAKOAFRUFNC-JTQLQIEISA-N 246.322 4.506 0 20 BJAD C1CCC(CCCN2CCC[C@H]3CCC[C@H]32)CC1 1167438558 OSWGFPHTRBSRAZ-IAGOWNOFSA-N 249.442 4.611 0 20 BJAD CCCC[C@@H](C)NCc1ccc2sccc2c1 1255314636 OYPXCVAVNNCZMJ-GFCCVEGCSA-N 247.407 4.570 0 20 BJAD CCN(CCC(C)(C)C)c1cc(C)ccc1C 1307535354 MBHSZNDLLPPOAH-UHFFFAOYSA-N 233.399 4.566 0 20 BJAD CCCC(CCC)Sc1nc2ccccc2o1 1559083023 OHRPTOVPBXXJBE-UHFFFAOYSA-N 249.379 4.889 0 20 BJAD CCC(CC)CSc1ccccc1C 1640873456 OIPILSCDTWSUBV-UHFFFAOYSA-N 208.370 4.523 0 20 BJAD CCCC1CCC(CNc2ccc(F)cc2)CC1 1648854020 HSMUOUJBVBIIBQ-UHFFFAOYSA-N 249.373 4.844 0 20 BJAD CC[C@H](c1ccccc1)N(CC(C)C)CC1CC1 1657668735 WNLCOWVYLYQHHS-QGZVFWFLSA-N 245.410 4.506 0 20 BJAD CCN(CC1CCC(C(C)C)CC1)C(C)(C)C 1658193564 RKFMJSDKWRZYOC-UHFFFAOYSA-N 239.447 4.569 0 20 BJAD CCC1(CC)CCCN([C@@H](C)c2ccccc2)C1 1659421107 GWVKRVMUDBNDKM-HNNXBMFYSA-N 245.410 4.650 0 20 BJAD Cc1cccc(N[C@H](C)c2cccs2)c1C 19964273 USEXXOANXSIQTA-GFCCVEGCSA-N 231.364 4.538 0 20 BJAD Cc1cc(Cl)ccc1NCC1CCCCC1 19994310 UHOKBKMSNUNIQC-UHFFFAOYSA-N 237.774 4.641 0 20 BJAD CC[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1 21503856 QQWBYHIGEXLPIJ-OAHLLOKOSA-N 247.288 4.528 0 20 BJAD CC(C)CCC[C@H](C)N[C@@H](C)CC(C)(C)C 384524633 BPXPBDWSMQFZHI-KBPBESRZSA-N 227.436 4.616 0 20 BJAD CC[C@@H](NCCC1=CCCCC1)c1ccsc1 394283420 GTEUKTXVYNOLBS-OAHLLOKOSA-N 249.423 4.679 0 20 BJAD CC[C@@H]1C[C@H]1CSc1ccc2c(c1)CCCC2 1166377290 JWBXTJCVDLZYHY-DOMZBBRYSA-N 246.419 4.704 0 20 BJAD CCC(C)(C)CCN[C@H](C)c1cccc(C)c1C 1192835755 ZXSDILIUBUFDOX-OAHLLOKOSA-N 247.426 4.780 0 20 BJAD CC(C)(C)CCS[C@@H]1CCc2ccccc2C1 1307368741 QUFUOXYHJBHWFO-OAHLLOKOSA-N 248.435 4.713 0 20 BJAD CC(C)[C@@H](C)S[C@H](C)c1ccc(F)c(F)c1 1458971073 XHARFDJSQQFVKO-NXEZZACHSA-N 244.350 4.804 0 20 BJAD CC[C@H](C)C[C@H](CC)NC[C@H]1CCC[C@@H]1CC 1474533627 XEFJTMOVHLKVLW-JONQDZQNSA-N 239.447 4.617 0 20 BJAD CC(C)(C)CCSc1ncc(C(C)(C)C)o1 1640998469 DUSQQEZTFUQQIB-UHFFFAOYSA-N 241.400 4.500 0 20 BJAD CCCN(Cc1ccccc1)C[C@H](C)C(C)(C)C 1652083143 KERZFDLJGUJCJS-HNNXBMFYSA-N 247.426 4.581 0 20 BJAD CC(C)CC[C@@H](C)NCC[C@@H](C)CC(C)(C)C 1652209659 JRYRKEZPOKLNHX-HUUCEWRRSA-N 241.463 4.863 0 20 BJAD CC[C@@H](C)CN[C@@H](CC(C)C)c1ccccc1C 1653964942 MTQFWHYIGYBJEV-PBHICJAKSA-N 247.426 4.718 0 20 BJAD CC(C)C(CN1C[C@H](C)c2ccccc21)C(C)C 1659493089 WBPSYFRDYQDEAV-AWEZNQCLSA-N 245.410 4.538 0 20 BJAD CC(C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O 3651035 XXCXRVNSUQAYMM-ZIAGYGMSSA-N 242.403 4.730 0 20 BJAD biogenic CC(C)CCC[C@H](C)N[C@@H]1CCCC(C)(C)C1 79971859 LEYQEPCJDTVSSO-LSDHHAIUSA-N 239.447 4.760 0 20 BJAD C1CCCC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 216296740 PNIXPXAXYPJZSI-YQQAZPJKSA-N 249.442 4.658 0 20 BJAD FC(F)(F)c1ccc2ccsc2c1Cl 306806420 JNQRLUZDVWGFPG-UHFFFAOYSA-N 236.645 4.574 0 20 BJAD Cc1sccc1CNc1cccc(C(C)C)c1 382444914 AQRXTAYREXQCFW-UHFFFAOYSA-N 245.391 4.792 0 20 BJAD CC(C)CC[C@@H](C)NCC1(C)CCCCCC1 394637718 KPHWQVMTTJUGGP-OAHLLOKOSA-N 239.447 4.761 0 20 BJAD CCC[C@H](N[C@@H](C)CC1CCCC1)C1CCC1 689802967 AWGRGYNSOLVQSX-BBRMVZONSA-N 237.431 4.514 0 20 BJAD CC[C@H](CC1CCCCC1)NCCC1CCC1 720989059 IRVSFYSVARQJJJ-MRXNPFEDSA-N 237.431 4.515 0 20 BJAD CCSc1ccc(C2CCCCC2)cc1 1307291529 SENREKZYSDYMNR-UHFFFAOYSA-N 220.381 4.846 0 20 BJAD CC[C@H](c1ccccc1)N1CCC[C@H](C(C)C)C1 1307692537 NASFKMMOPYAIEO-DLBZAZTESA-N 245.410 4.506 0 20 BJAD C[C@H]1CCC[C@@H](N[C@H](C)CC2CCCCC2)C1 1308722814 AASVKUDPXIMAQB-SQWLQELKSA-N 237.431 4.514 0 20 BJAD CCCC[C@H](CC)CN(CC)C(CC)CC 1460175943 AGWONPTZRRVFRC-AWEZNQCLSA-N 227.436 4.713 0 20 BJAD C[C@@H](CN1CCC[C@@H]1c1ccccc1)C(C)(C)C 1621207221 KXZCPAZOWXHIQY-GOEBONIOSA-N 245.410 4.506 0 20 BJAD CCC(CC)(CC)S[C@H]1CCCCCC1=O 1651920041 FTPMNUURNMLMNC-ZDUSSCGKSA-N 242.428 4.590 0 20 BJAD C[C@@H]1C[C@H]2CCCC[C@H]2N1CC1CCCCCC1 1652530828 WHWKVKDKZJONEE-DJIMGWMZSA-N 249.442 4.610 0 20 BJAD CCC[C@]1(C)CCCN(CCC(C)(C)CC)C1 1652593038 ZCTUBKULRTUJDA-MRXNPFEDSA-N 239.447 4.715 0 20 BJAD CCCN(CC1CCCCC1)[C@@H](C)CC(C)C 1653204965 IVCNELINCFERJL-HNNXBMFYSA-N 239.447 4.713 0 20 BJAD CCc1cccc(N[C@H](C)c2cccc(C)c2)c1 37214418 BNERAHJUQRKDSV-CQSZACIVSA-N 239.362 4.731 0 20 BJAD CC(C)(C)CCNc1ccc(C(F)(F)F)cc1 83373916 OAMPSQZJYSGKEF-UHFFFAOYSA-N 245.288 4.554 0 20 BJAD CC[C@H](C)C[C@@H](CC)NC[C@H](C)c1ccccc1 252032413 ZNJURAAFWOWRPM-YQQAZPJKSA-N 247.426 4.595 0 20 BJAD C[C@H]1CCC[C@@H](COc2ccccc2Cl)C1 309464535 RVVMNDFLCXXEIH-NWDGAFQWSA-N 238.758 4.545 0 20 BJAD CC(C)SCCS[C@H](C)c1cccs1 800834998 HFZZQYURYUWQDO-SNVBAGLBSA-N 246.466 4.684 0 20 BJAD Cc1cccc(NCc2ccccc2C(C)C)c1 864018645 MTZWMCSSEIWNAI-UHFFFAOYSA-N 239.362 4.731 0 20 BJAD CC(C)C(CN(C)[C@H](C)c1ccccc1)C(C)C 1205157278 ZDPHNEZHVHCWCH-OAHLLOKOSA-N 247.426 4.608 0 20 BJAD CCC[C@@H](CC)NCc1cc2ccccc2s1 1257244323 HDQMDPRRFRTYFM-CYBMUJFWSA-N 247.407 4.570 0 20 BJAD C[C@@H]1CCCC[C@H]1CSC1CCCCC1 1307266278 JZLSLPRRIURGFR-OLZOCXBDSA-N 226.429 4.879 0 20 BJAD C[C@H]1CCCC[C@@H]1Sc1ccc2c(c1)CCC2 1472968204 NWLOVEXUFDFREH-LRDDRELGSA-N 246.419 4.846 0 20 BJAD Cc1cccc2c1CCCN2CCCC(C)(C)C 1615496369 FYXWUMFCAXWIES-UHFFFAOYSA-N 245.410 4.574 0 20 BJAD CCN(CC1CC1)[C@H](C)c1ccc(C(C)C)cc1 1641744104 VWTQXEANYYIUJY-CQSZACIVSA-N 245.410 4.603 0 20 BJAD CCc1cccc(CS[C@H](C)C(C)C)c1 1652686483 SXGOKFLIFYWETA-GFCCVEGCSA-N 222.397 4.527 0 20 BJAD C[C@@H]1CCCC[C@]1(C)NCC1CCCCCC1 308755229 QLWVFCZNSOPHSK-ZBFHGGJFSA-N 237.431 4.515 0 20 BJAD CC[C@H](NC[C@H](C)C(C)(C)C)C1CCCCC1 379718965 VQNGPYOBOIBMPK-ZFWWWQNUSA-N 239.447 4.617 0 20 BJAD CC(C)CC(CC(C)C)N[C@H](C)CC(C)(C)C 384400443 CKQSKQPNHZVJDH-CQSZACIVSA-N 241.463 4.862 0 20 BJAD CCC(CC)(CC)CNC1CCCCCC1 391197042 WMCPYYTVGGTMAO-UHFFFAOYSA-N 225.420 4.515 0 20 BJAD c1ccc2oc(-c3cccc4cnccc34)cc2c1 793364534 WHNSFRWMGDLODO-UHFFFAOYSA-N 245.281 4.648 0 20 BJAD Clc1cnccc1-c1ccc2ccccc2c1 794671874 SMOQVMJQSZICEI-UHFFFAOYSA-N 239.705 4.555 0 20 BJAD CC[C@@H](c1ccccc1)N1CCC[C@](C)(CC)C1 1473185320 FSPFGMWKJCOLOJ-IRXDYDNUSA-N 245.410 4.650 0 20 BJAD Cc1cc(CSCc2ccccc2C)cs1 1613181515 JCWQKUPDEYYOTR-UHFFFAOYSA-N 248.416 4.798 0 20 BJAD CCCC[C@@H](C)N(C)C[C@@H](CC)c1ccccc1 1647046106 MRRFQJAZEGPNFU-HZPDHXFCSA-N 247.426 4.691 0 20 BJAD CC[C@@H](c1ccccc1)N(CC)CCC1CCC1 1653256052 UPLCFKBQJJCJTL-KRWDZBQOSA-N 245.410 4.650 0 20 BJAD CC[C@H](C)CN(CC)CC[C@@H](C)c1ccccc1 1663671567 FCQOJUYERRBEAH-JKSUJKDBSA-N 247.426 4.548 0 20 BJAD CCCc1cccc(CN(C)[C@@H](C)C(C)(C)C)c1 1663938049 RRBWLPGXWQLBIB-AWEZNQCLSA-N 247.426 4.506 0 20 BJAD CCN(CC(C(C)C)C(C)C)c1ccccc1C 1664346490 QNNDIYMREWEMMU-UHFFFAOYSA-N 247.426 4.750 0 20 BJAD CCC(C)(C)c1ccc(N[C@H]2CCC[C@H]2C)cc1 1664561315 YBHBRONMWRNATI-CJNGLKHVSA-N 245.410 4.975 0 20 BJAD CC[C@@H](NC1CCCCCC1)c1ccc(F)cc1 20003421 NVTUGFNMBXZHQB-MRXNPFEDSA-N 249.373 4.589 0 20 BJAD C[C@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1 21024887 ZWYAOWLOFGIKHI-JTQLQIEISA-N 249.716 4.652 0 20 BJAD Cc1cccc(N[C@H](C)c2ccsc2)c1C 50338326 VXNQRQKBLHINGZ-GFCCVEGCSA-N 231.364 4.538 0 20 BJAD CCC(CC)CNCC1(CC(C)C)CCCC1 94874567 DBFSBDFXGUMGHN-UHFFFAOYSA-N 239.447 4.619 0 20 BJAD C1CCCC(CNCC2CCCCCC2)CC1 116837869 NWMXFVSJXHLJRG-UHFFFAOYSA-N 237.431 4.517 0 20 BJAD CCCC(CCC)N[C@@H]1CCCC(C)(C)C1 149339904 ODEJDZOMLBHPFF-CQSZACIVSA-N 225.420 4.514 0 20 BJAD Cc1cccc([C@@H](C)N[C@@H](C)C2CCCCC2)c1 149362898 PADOSJLGTNGBPJ-LSDHHAIUSA-N 245.410 4.614 0 20 BJAD CCCC[C@H](CCC)SCC(C)C 224992728 RUVXTIVZRLEAIR-LBPRGKRZSA-N 202.407 4.735 0 20 BJAD CCCC[C@@H](CC)CN[C@H](CCC)C1CCC1 322847191 NZHCEEUIIDNAQE-GDBMZVCRSA-N 239.447 4.761 0 20 BJAD Cc1cccc(N[C@@H](C)c2csc(C)c2)c1 381342239 FNRLLLLZDWIFHK-LBPRGKRZSA-N 231.364 4.538 0 20 BJAD C[C@H]1CCC[C@H]1Nc1ccc2c(c1)CCCCC2 404668746 VCTMZXNLRRTTJT-SUMWQHHRSA-N 243.394 4.556 0 20 BJAD CC[C@@H](C)[C@@H](C)Nc1cccc(C2CCC2)c1 690114619 SNOLQTGVEXYJCP-CHWSQXEVSA-N 231.383 4.801 0 20 BJAD CCCN(CC)[C@@H](C)c1ccc2ccccc2c1 1307437457 GIWSFULGZPQCPR-AWEZNQCLSA-N 241.378 4.633 0 20 BJAD CC(C)CCCN1c2ccccc2C(C)(C)[C@@H]1C 1559997984 NGPHCHFFWKWWPO-AWEZNQCLSA-N 245.410 4.609 0 20 BJAD CCC(CC)(CC)SCc1ccc(C)nc1 1651921001 YYQBMUHKDLFKOT-UHFFFAOYSA-N 237.412 4.592 0 20 BJAD CC[C@H](c1ccccc1)N(CC(C)C)C(C)C 1654324616 OWZGRSNPMHCPBC-MRXNPFEDSA-N 233.399 4.504 0 20 BJAD CC1(C)C[C@H]1CNC1CCC2(CCCCC2)CC1 1661390976 IRIKGFIUXUCLKD-AWEZNQCLSA-N 249.442 4.515 0 20 BJAD CC(C)CCC[C@H](C)N[C@H]1CCCC(C)(C)C1 79971867 LEYQEPCJDTVSSO-GJZGRUSLSA-N 239.447 4.760 0 20 BJAD CCc1ccccc1CN[C@@H](C)CCC(C)(C)C 302519252 OQODEWGOUSBKIJ-AWEZNQCLSA-N 247.426 4.553 0 20 BJAD CC[C@@H](Nc1cc(C)ccc1C)c1ccsc1 382074742 CWDPJIWCIUGPGX-CQSZACIVSA-N 245.391 4.928 0 20 BJAD CC[C@H]1CCC[C@H](CNc2cccc(C)c2)C1 394655489 YWNMMAWIAWHBTM-GJZGRUSLSA-N 231.383 4.623 0 20 BJAD Cc1ccccc1[C@H](NCCC(C)(C)C)C(C)C 1168723960 POQCCEXIRFIJOW-MRXNPFEDSA-N 247.426 4.718 0 20 BJAD C1CCC(C2CCC(NCCC3CC3)CC2)CC1 1200820558 ITOQERARVBQRKH-UHFFFAOYSA-N 249.442 4.515 0 20 BJAD CCCC[C@H](CC)CN(CC)C1CCCCC1 1473106316 XEZYAZJBNIGNIG-HNNXBMFYSA-N 239.447 4.857 0 20 BJAD CCCC[C@@H](C)[C@H](C)NCC(C)(C)C1CCC1 1621341119 GSBDJZRKNIGXGB-KGLIPLIRSA-N 239.447 4.617 0 20 BJAD CCC[C@@H](CC)SC/C(Cl)=C\Cl 1643905526 PMBKHZXHXRXPDQ-BNICOGTQSA-N 227.200 4.617 0 20 BJAD CCCC[C@H](N[C@H](C)CCC1CC1)C1CCC1 1652402395 YFQZNKRSJSNPQN-CJNGLKHVSA-N 237.431 4.514 0 20 BJAD CC[C@@H](SC/C=C\Cl)c1ccccc1 1652715104 VNSMPMGNFFTMOY-OJIASSBASA-N 226.772 4.623 0 20 BJAD C[C@H](Nc1ccc(F)cc1)c1cccc(Cl)c1 21057955 GRNJRLNMGDMLBI-JTQLQIEISA-N 249.716 4.652 0 20 BJAD CC[C@H](NCC1CCCCC1)C1CCCCC1 109953254 FOFCVYSMCOCJJN-INIZCTEOSA-N 237.431 4.515 0 20 BJAD CC[C@@H]1CCC[C@@H](CNc2cc(C)cc(F)c2)C1 394519645 OHIOSCMYPHHTDX-ZIAGYGMSSA-N 249.373 4.762 0 20 BJAD CCCSc1nc(C2CCCCC2)cs1 1166713508 JADDGHXNGIBZQB-UHFFFAOYSA-N 241.425 4.693 0 20 BJAD CCC(CC)SCc1ccc(C)c(F)c1 1458951559 XYMPGBYPOOEDFE-UHFFFAOYSA-N 226.360 4.556 0 20 BJAD C/C(=C\Cl)CS[C@@H](C)c1ccc(F)cc1 1459055817 PXRMWUVZDPVAHZ-PCYYEKQGSA-N 244.762 4.763 0 20 BJAD C[C@@H](CCC1CCCCC1)N[C@@H]1CC[C@@H](C)C1 1462584736 KASGUYKLNSIBCP-IJEWVQPXSA-N 237.431 4.514 0 20 BJAD CCCC[C@H](CC)CN1CC[C@@H]1c1ccccc1 1559581222 BSQBLJPHZSKWAK-DOTOQJQBSA-N 245.410 4.650 0 20 BJAD CCC(CC)SCc1ccc(CF)cc1 1643687074 OPTWJBKOUBBIIA-UHFFFAOYSA-N 226.360 4.578 0 20 BJAD Clc1cc(Cl)cc(OCCC2CCC2)c1 1656004841 MLTZSTYSJQQNLH-UHFFFAOYSA-N 245.149 4.562 0 20 BJAD CC[C@@H](NC[C@@H]1CCCC[C@@H]1C)c1ccccc1 109936988 PLUOFUNRYOFJLA-BHYGNILZSA-N 245.410 4.554 0 20 BJAD CCC[C@@H](C)NCC1CCC(C(C)(C)C)CC1 129777792 WSXMHILOGHMMBD-WLYUNCDWSA-N 239.447 4.617 0 20 BJAD Cc1cc(F)cc(NCC2CCC(C)(C)CC2)c1 380986236 ZXHPRNJDUUMDIV-UHFFFAOYSA-N 249.373 4.762 0 20 BJAD C[C@H](CCC1CC1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 398071958 KAUVEQUXXIBUJH-MXASKKJJSA-N 249.442 4.514 0 20 BJAD CC[C@@H](F)CSCc1cccc(C(F)F)c1 442549566 OKSZGFFBQDTREU-LLVKDONJSA-N 248.313 4.606 0 20 BJAD CCC[C@@H](C)Nc1ccc(COC(C)(C)C)cc1 679061772 CQZVYUHZSBLMCZ-CYBMUJFWSA-N 249.398 4.602 0 20 BJAD CCc1ccc(CSc2cccc(C)c2)cc1 1188683729 IMGPNLZGDAWZTI-UHFFFAOYSA-N 242.387 4.850 0 20 BJAD Cc1ccc([C@@H](C)N(C)C[C@H](C)C(C)(C)C)cc1 1307416615 ZLHWEIAOIZVORV-LSDHHAIUSA-N 247.426 4.670 0 20 BJAD CC(C)N(CC1CCCCCC1)c1ccccc1 1559604085 VMJVXBVMIKWBIZ-UHFFFAOYSA-N 245.410 4.872 0 20 BJAD CCCC[C@@H](CCC)SCc1ccncc1 1656919042 QOBPXVMOKQPCOT-CQSZACIVSA-N 237.412 4.674 0 20 BJAD Cc1cc(C)cc(N[C@@H](C)c2ccc(F)cc2)c1 21812572 ZXIMICHLOZGJDX-ZDUSSCGKSA-N 243.325 4.616 0 20 BJAD Cc1ccc(CN[C@@H](C)CCC(C)(C)C)cc1C 386284265 ROKZMWABNDWVFN-HNNXBMFYSA-N 247.426 4.608 0 20 BJAD CC1(C)CCC[C@@H]1CN[C@H]1CCCC12CCCC2 389055792 SVCNKUPOILEPKP-CABCVRRESA-N 249.442 4.515 0 20 BJAD CCC(CC)(CC)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 391220815 YUMZMDOZNWSJND-QLFBSQMISA-N 239.447 4.617 0 20 BJAD CC[C@@H](N[C@@H](C)CCCC(C)C)C1CCCC1 395702589 GFIHCWRNMJVKRQ-GOEBONIOSA-N 239.447 4.760 0 20 BJAD CCCC[C@H](CC)NC[C@@H]1CCC[C@H](C)[C@@H]1C 1462179787 VYRALBMFGJGXFM-VGWMRTNUSA-N 239.447 4.617 0 20 BJAD C[C@H]1CCCC[C@H]1CN(C1CCCCC1)C1CC1 1615265097 KJHQQQTZNMANLK-GJZGRUSLSA-N 249.442 4.610 0 20 BJAD c1csc(SCc2ccccc2C2CC2)c1 1652606666 MASMYVKBJIHPOP-UHFFFAOYSA-N 246.400 4.918 0 20 BJAD CCC(CC)SC[C@@H](C)c1ccccc1 1652820366 XASJQEMNFPJMGP-GFCCVEGCSA-N 222.397 4.712 0 20 BJAD CCCCN(CCC(C)C)[C@H]1CCC[C@H](C)C1 1654582653 LTEXDHDHFCGXQB-HOTGVXAUSA-N 239.447 4.713 0 20 BJAD CC[C@@H](NC1CCCCCCC1)c1ccccc1 21802671 QOOZBHQCOWEXJB-QGZVFWFLSA-N 245.410 4.840 0 20 BJAD Cc1cccc(N[C@@H](C)c2sccc2C)c1 69635791 CALWPTWSIXZHHN-LBPRGKRZSA-N 231.364 4.538 0 20 BJAD Cc1ccsc1[C@H](C)Nc1cccc(F)c1C 70091994 VCVJIWZZRPZOEJ-NSHDSACASA-N 249.354 4.677 0 20 BJAD C[C@@H]1CC[C@@H](CN[C@H]2CCCCC23CCCC3)C1 311075787 DXORRANTKZRGPS-OAGGEKHMSA-N 249.442 4.515 0 20 BJAD c1ccc2c(c1)CC[C@@H]2Nc1ccc(C2CC2)cc1 679090130 QNPJYTPMZIKAFT-SFHVURJKSA-N 249.357 4.663 0 20 BJAD CCCC(CCC)SCCC1(OC)CCC1 1458918110 BZYLECVXFVEGHR-UHFFFAOYSA-N 244.444 4.648 0 20 BJAD CCCCN(Cc1cccc(C(C)C)c1)C1CC1 1473106711 VNBYFLGPKKZXIV-UHFFFAOYSA-N 245.410 4.575 0 20 BJAD CCCCN(CCC1CC1)[C@H](C)c1ccccc1 1473181972 RILYGXXSZYWNPK-OAHLLOKOSA-N 245.410 4.650 0 20 BJAD C/C(=C\c1ccccc1)CN[C@H](C)CC(C)(C)C 1474171366 OHKMWGLLJYFGFT-ATGUSINASA-N 245.410 4.504 0 20 BJAD CC(C)N(CC1CCCC1)[C@@H](C)c1ccccc1 1618286340 ATPKLBBADSYYJZ-HNNXBMFYSA-N 245.410 4.648 0 20 BJAD CCC[C@@H](C)N[C@H](CC)c1cc(C)ccc1C 1648030044 FPNICQHRCVVEJR-GDBMZVCRSA-N 233.399 4.533 0 20 BJAD CC[C@H](C)CSC[C@@H](C)C1CCCCC1 1651870505 SHYANHDKNLSWEA-QWHCGFSZSA-N 228.445 4.982 0 20 BJAD C1CCC(CCN2CCCC3(CCCC3)C2)CC1 1659493552 BDKLPQADHVQPEC-UHFFFAOYSA-N 249.442 4.613 0 20 BJAD Cc1ccc(S[C@@H]2CCCC[C@H]2C)cc1 147229170 KDFVIORFYXJETP-TZMCWYRMSA-N 220.381 4.666 0 20 BJAD C/C=C\c1ccc(NCc2sccc2C)cc1 563998074 QSCXEVYRWVDGPO-ARJAWSKDSA-N 243.375 4.702 0 20 BJAD Cc1ccccc1CSC[C@@H](C)CC(C)C 1164504480 IXSGTOWACLMBRQ-ZDUSSCGKSA-N 236.424 4.910 0 20 BJAD C1CCC2(CC1)CCC(NCC1CCCC1)CC2 1199228325 RWAPKGJQFKXSID-UHFFFAOYSA-N 249.442 4.659 0 20 BJAD Cc1cnccc1SCC[C@@H]1CCC[C@H](C)C1 1559415133 GJDABTMXNQORAE-JSGCOSHPSA-N 249.423 4.699 0 20 BJAD CCC(C)(C)N(C)CCC1C[C@@H](C)C[C@H](C)C1 1559806674 CUGQTOPNSJEVJP-KBPBESRZSA-N 239.447 4.569 0 20 BJAD CCC[C@@H](NC1CCC2(CC1)CC2)C(C)(C)C 1560839643 XFRSOUFOCSNWEE-CQSZACIVSA-N 237.431 4.514 0 20 BJAD C[C@H](CN1CCC[C@H]1c1ccccc1)C(C)(C)C 1621207223 KXZCPAZOWXHIQY-ZBFHGGJFSA-N 245.410 4.506 0 20 BJAD CC[C@@H](C)[C@H]1CCCCN1CCCC(C)(C)C 1644669716 SYDLHPNIJMFBMM-HUUCEWRRSA-N 239.447 4.713 0 20 BJAD CC(C)C[C@H](C)N1CCC(C)(C)c2ccccc21 1645971735 XGPKWGUKIZRTLY-AWEZNQCLSA-N 245.410 4.609 0 20 BJAD CCCC[C@H](C)[C@H](C)NC[C@@H]1CCC[C@@H]1CC 1652487512 ZDXYOYYXCRTROO-VGWMRTNUSA-N 239.447 4.617 0 20 BJAD CCC[C@@H](N[C@@H](C)CC1CCCC1)C(C)(C)C 1664761145 JAGRVWMPNJUQJE-DZGCQCFKSA-N 239.447 4.760 0 20 BJAD CCCC(=O)Nc1c(CCC)cccc1C(C)C 191525998 SDCGGPRBXNUWBH-UHFFFAOYSA-N 247.382 4.501 0 20 BJAD CCC1CCC(NCC(C)(C)C(C)(C)C)CC1 379981895 JFCLFQFCXHQJDV-UHFFFAOYSA-N 239.447 4.617 0 20 BJAD CC[C@@H](Nc1cccc(C)c1F)c1ccsc1 382101804 JFMWRLNRKCIAGE-GFCCVEGCSA-N 249.354 4.759 0 20 BJAD CCC[C@@H](NC[C@@H](C)CC(C)C)c1ccccc1 384551569 VBUPCIGROMJEEI-DOTOQJQBSA-N 247.426 4.800 0 20 BJAD Cc1ccccc1[C@@H](C)N[C@H](C)CC1CCCC1 689716607 JSKRLICHFYLUMG-HUUCEWRRSA-N 245.410 4.614 0 20 BJAD CC[C@H](C)C[C@@H](C)NC[C@@H]1CCCC(C)(C)C1 1308286345 OQSSBFWXJILUJG-RRFJBIMHSA-N 239.447 4.617 0 20 BJAD CCc1ccc(CSC[C@H](C)CC)cc1 1459001318 RMEKVVYTBLZKTC-GFCCVEGCSA-N 222.397 4.528 0 20 BJAD C[C@H]1CCN(CCCC2CCC2)c2ccccc21 1459720098 SZDBOEWFSJUVOX-AWEZNQCLSA-N 243.394 4.581 0 20 BJAD CC[C@H](C)CN1CCCC(C)(C)c2ccccc21 1560861604 RTAWEIHJFHXEHM-AWEZNQCLSA-N 245.410 4.611 0 20 BJAD CCCC[C@@H](CC)N[C@@H]1CCc2ccc(C)cc21 1621420126 HNEDZWNYOAURKW-NVXWUHKLSA-N 245.410 4.541 0 20 BJAD CC[C@@H](C)CSCC1CCC(C)(C)CC1 1643785357 MYUOJJDRGDIBRS-GFCCVEGCSA-N 228.445 4.982 0 20 BJAD C1CCC(C[C@@H]2CCCN2CCC2CCC2)CC1 1644457514 SPCALSHTXSSCLX-KRWDZBQOSA-N 249.442 4.611 0 20 BJAD CC(C)(C)CCNc1ccccc1C(C)(F)F 1652494254 MOLIPLLQOOELGH-UHFFFAOYSA-N 241.325 4.646 0 20 BJAD Cc1cc(F)cc(NC[C@H]2CCCC(C)(C)C2)c1 1655828906 FNFKLSPZPSMLJC-ZDUSSCGKSA-N 249.373 4.762 0 20 BJAD CC(C)(C)[C@@H]1CCC[C@H]1NC1CCCCCC1 1656419882 RZALCNOLPWUAIW-HUUCEWRRSA-N 237.431 4.514 0 20 BJAD CSc1cccc(N[C@@H](C)c2cccs2)c1 19900580 YECKGJIGTLLEHO-JTQLQIEISA-N 249.404 4.643 0 20 BJAD Cc1ccc(N[C@H](C)c2sccc2C)cc1 69635950 DXZNOBJVZYHFEY-GFCCVEGCSA-N 231.364 4.538 0 20 BJAD Cc1cc(F)cc(N[C@@H](C)c2cc(C)oc2C)c1 91511001 WWXHGMYIZJPXMQ-NSHDSACASA-N 247.313 4.517 0 20 BJAD CCN(CCC(C)C)c1ccc2ccccc2c1 1167740693 NEAVMJMLRMFQSA-UHFFFAOYSA-N 241.378 4.712 0 20 BJAD C[C@H]1CCCC[C@H]1COc1cccc(Cl)c1 1188202600 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245.410 4.554 0 20 BJAD CC[C@@H](C)CSCc1cc(C)sc1C 1656374340 LQXSIJZCSOMBAH-SECBINFHSA-N 228.426 4.644 0 20 BJAD Cc1ccc(N[C@H]2CCC[C@H](C)C2)cc1Cl 21509838 BLTZIGSZPALVIX-JQWIXIFHSA-N 237.774 4.639 0 20 BJAD CC(C)CC[C@@H](C)Nc1ccc(C(F)F)cc1 395309785 ZJNQKCCZDNYEJY-LLVKDONJSA-N 241.325 4.861 0 20 BJAD C/C(=C/c1ccccc1)CN[C@H](C)CC(C)(C)C 1474171368 OHKMWGLLJYFGFT-QKXCFHHRSA-N 245.410 4.504 0 20 BJAD CCCC(CCC)NC[C@@H]1CCCC[C@H]1CC 1621363227 DKTHGTRZSPYEGU-CABCVRRESA-N 239.447 4.761 0 20 BJAD c1ccc2c(SCCC3CCC3)nccc2c1 1652921852 HCTDLBGBWVCFPJ-UHFFFAOYSA-N 243.375 4.517 0 20 BJAD C1CCC(CN2CCC[C@H]2C2CCCCC2)CC1 1653176054 WQKHYNTYSLYRMN-KRWDZBQOSA-N 249.442 4.611 0 20 BJAD CC[C@H](C)CSCc1cc(C)sc1C 1656374341 LQXSIJZCSOMBAH-VIFPVBQESA-N 228.426 4.644 0 20 BJAD CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C)CC(C)C 1658288295 SGZXOOPDLIRHAN-JYJNAYRXSA-N 239.447 4.616 0 20 BJAD C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)C1CCCCC1 81638603 WXNWWXKIGLTYEA-XOKHGSTOSA-N 249.442 4.514 0 20 BJAD 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