smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1ccc(C(=O)Cn2cnc(C#N)n2)c1 21914540 OSXLUHTYWUUSMB-UHFFFAOYSA-N 215.216 0.371 30 20 BCED C=CCNC(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1 35247634 NBVCAOUGCXJGEQ-GARJFASQSA-N 226.320 0.834 30 20 BCED CCN(CCC#N)CC(=O)N1CCOCC1 42454483 JLOGCQQCRUPACJ-UHFFFAOYSA-N 225.292 0.081 30 20 BCED CCNC(=O)CN(C)C(=O)C(C)(C)C#N 44362724 NZMDHSPIPNSRDJ-UHFFFAOYSA-N 211.265 0.131 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](C)CCN(C)C 44825951 MKJHZAMBASNTSW-VHSXEESVSA-N 211.309 0.993 30 20 BCED C=CCNC(=O)CNC(=O)NC1CCCCC1 48667271 JMUBYIORYXOAAV-UHFFFAOYSA-N 239.319 0.921 30 20 BCED C#CCN1CCN(CC(=O)N(CC)CC)CC1 53431154 FMQAXDJWSNEQDU-UHFFFAOYSA-N 237.347 0.106 30 20 BCED CC[C@@H](CC#N)NS(=O)(=O)N(C)C 54178682 JFCDRWLGCJJTBX-ZETCQYMHSA-N 205.283 0.075 30 20 BCED N#CCCCCS(=O)(=O)N[C@@H]1CCCOC1 68916630 LNBGEJMVYUAVPM-SNVBAGLBSA-N 246.332 0.779 30 20 BCED C=CCNC(=O)NC(=O)[C@H](C)N(C)CCC 69091075 BCCVDULXGKECCM-VIFPVBQESA-N 227.308 0.729 30 20 BCED COC(=O)[C@]1(F)CCN(C(=O)C(C)(C)C#N)C1 74509077 SMLHZRBKOSJJRQ-NSHDSACASA-N 242.250 0.650 30 20 BCED COC[C@@H]1CCN(c2nccnc2C#N)C1 77897257 FRMJFRMFBDRKND-SECBINFHSA-N 218.260 0.821 30 20 BCED C#CCNC(=O)N[C@H]1c2ccccc2C[C@@H]1O 79264134 UZZUJLYGNDJPLI-RYUDHWBXSA-N 230.267 0.577 30 20 BCED CCO[C@@H](CC)C(=O)N1CCO[C@@H](C#N)C1 106043280 GVTFBXSCZNIYFA-UWVGGRQHSA-N 226.276 0.552 30 20 BCED C=C(C)CN1CCC[C@H](CNS(N)(=O)=O)C1 107302595 JMFVOOJUMNBQKH-SNVBAGLBSA-N 247.364 0.068 30 20 BCED C#CCNC(=O)[C@H](C)SCc1nc(C)no1 108411531 WGJXKECUCSFCOM-ZETCQYMHSA-N 239.300 0.749 30 20 BCED C=CCNC(=O)CN(CCC(=O)OC)C(C)C 112626936 PDJVUISGEXTKPN-UHFFFAOYSA-N 242.319 0.562 30 20 BCED C=CCN(C)S(=O)(=O)CCOCCOC 119059721 DFMWLEJWFVDENR-UHFFFAOYSA-N 237.321 0.097 30 20 BCED CC(C)CCNC(=O)[C@@H](C)O/N=C(\N)CCO 121388959 BPYCEKJUIGNIAU-SECBINFHSA-N 245.323 0.208 30 20 BCED CC(C)OCC(=O)N1CCN(CC#N)CC1 122712725 BPEUVKBEAXTYKO-UHFFFAOYSA-N 225.292 0.079 30 20 BCED CCc1nn(C)cc1CNC(=O)[C@@H](C)C#N 124152423 UBPFNUKWENEMRU-QMMMGPOBSA-N 220.276 0.758 30 20 BCED C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](O)CC[C@H]2C1 125232210 MUCFKBMLKPZQMY-KXNHARMFSA-N 238.331 0.380 30 20 BCED C#CCCCCNS(=O)(=O)[C@@H](C)COC 126562620 SPFXKQZFNGLVML-JTQLQIEISA-N 233.333 0.744 30 20 BCED CC(C)[C@@H](C(=O)N[C@@H](C)CC#N)N(C)C 127942243 MFBJKRKHJUGBHO-UWVGGRQHSA-N 211.309 0.991 30 20 BCED C#CCN(C)C(=O)c1cccnc1OC 130677748 ZNHSFSSMNHGOPI-UHFFFAOYSA-N 204.229 0.795 30 20 BCED C[S@](=O)CCNc1ccnc(C#N)c1 135556164 XNSDTJBDQQJRIY-CQSZACIVSA-N 209.274 0.744 30 20 BCED Cc1nc(C(=O)N(C)[C@@H](C)CO)ccc1C#N 135577432 MXSXBHYKYGEXNJ-QMMMGPOBSA-N 233.271 0.715 30 20 BCED N#Cc1ccccc1CO/N=C(/N)CCO 136074534 SQUUCJONYUXKDS-UHFFFAOYSA-N 219.244 0.729 30 20 BCED C=CC[C@H](C)NS(=O)(=O)C[C@H](C)C(=O)OC 152026558 WQSABOBVIQCDLN-IUCAKERBSA-N 249.332 0.680 30 20 BCED C=CCN(C)C(=O)c1cc([N+](=O)[O-])cnc1O 157379138 KVXLAUQNXGCSEW-UHFFFAOYSA-N 237.215 0.953 30 20 BCED C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CO 158876928 ZFBOACIEPCUGEP-LLVKDONJSA-N 228.336 0.724 30 20 BCED CC#CCNC(=O)c1ccc(C(=O)O)cn1 168064448 NLWHFBSBECDIJH-UHFFFAOYSA-N 218.212 0.533 30 20 BCED CC[C@](C)(C#N)C(=O)N[C@@H](C)CN(C)C 168790558 FHXHVIZSWKAQAN-GXSJLCMTSA-N 211.309 0.993 30 20 BCED CNC(=O)CCN(C)C(=O)c1ccc(C#N)cc1 170784868 XPPPDXCVNFLFCS-UHFFFAOYSA-N 245.282 0.766 30 20 BCED CNC(=O)[C@H](C)CN(C)C(=O)CSCC#N 175626203 CUIUACPGHVOZCW-MRVPVSSYSA-N 243.332 0.084 30 20 BCED N#C[C@H]1COCCN1Cc1ccncc1 178985185 SCLDULCVAAAYFD-NSHDSACASA-N 203.245 0.806 30 20 BCED C=CCNC(=O)CNC(=O)Cc1ccsc1 181745965 WRFVALVHLUYODS-UHFFFAOYSA-N 238.312 0.709 30 20 BCED C=CCN1CCN(CCC(=O)OC)C[C@H]1C 182099422 HQEVRDGPPRVQIO-LLVKDONJSA-N 226.320 0.742 30 20 BCED C=C(C)CS(=O)(=O)N1CCN(C(C)C)CC1 184368380 YLKNICDHVSKAMJ-UHFFFAOYSA-N 246.376 0.918 30 20 BCED CCN(C)C(=O)CNC(=O)C(C)(C)C#N 184564968 MVKJLWMMWHPSIQ-UHFFFAOYSA-N 211.265 0.131 30 20 BCED C#C[C@@H](C)NC(=O)c1cc(OC(F)F)n(C)n1 186008507 HZTFMNCLUCTMRN-ZCFIWIBFSA-N 243.213 0.773 30 20 BCED C#C[C@H](C)NC(=O)Cc1c(C)noc1C 186106273 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246.270 0.686 30 20 BCED C#C[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)C(C)C 282250677 OOKZQKGUBSEDAT-ZJUUUORDSA-N 239.319 0.420 30 20 BCED C=CCN1CCC[C@@](O)(Cn2ccnn2)C1 284643595 UPHUOCLFADUIIR-NSHDSACASA-N 222.292 0.291 30 20 BCED C#C[C@H](C)NC(=O)c1ccc(NC)nc1 286255480 ZWJBRVNBFSWRSN-QMMMGPOBSA-N 203.245 0.875 30 20 BCED C=CC[C@H](C)NS(=O)(=O)c1cn(C)nc1C 286851255 KZQGRGZAFKKXKQ-QMMMGPOBSA-N 243.332 0.971 30 20 BCED C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)C 289609525 QVHFCPMTOPGKPK-ONGXEEELSA-N 214.309 0.380 30 20 BCED C=C[C@H](CO)NC(=O)[C@@]1(C)CCCOC1 290471042 DCWHZBPBUCBABW-KOLCDFICSA-N 213.277 0.466 30 20 BCED CNC(=O)[C@]1(C)CCN(C(=O)CCCC#N)C1 291820788 DAVIWMQWTLRPQN-GFCCVEGCSA-N 237.303 0.665 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H]1CCO[C@H](C)C1 293225342 ZSZXIGYBHHOJQP-OPRDCNLKSA-N 228.292 0.400 30 20 BCED C=CCOCCN1CCCC[C@H]1C(=O)NC 293232723 WDDMVEFFOLCOCJ-NSHDSACASA-N 226.320 0.790 30 20 BCED C#CCO[C@@H](C)C(=O)N(C)[C@H](C)COC 294350366 GOJCPDJBJRGHFJ-ZJUUUORDSA-N 213.277 0.518 30 20 BCED 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206.249 0.682 30 20 BCED C=CC[C@H](CO)CN[C@H](C)CS(=O)(=O)CC 336777402 IIYZMDVTTYXTMU-MNOVXSKESA-N 249.376 0.584 30 20 BCED O=C(CCc1ccccc1)NCC#CCO 339195284 SUYLRKALNBXEPU-UHFFFAOYSA-N 217.268 0.731 30 20 BCED Cn1cc([C@H](CO)Nc2ncccc2C#N)cn1 339697971 NMHLPMKRKLIJNE-NSHDSACASA-N 243.270 0.832 30 20 BCED CCOC(=O)C[C@@H](C)CNC(=O)[C@@H](C)C#N 341103469 FQBCSFZOCLOORF-BDAKNGLRSA-N 226.276 0.852 30 20 BCED C=CCOc1cccnc1C(=O)N(C)CCO 342062530 DHWAUELLVWLQEP-UHFFFAOYSA-N 236.271 0.711 30 20 BCED C=CC[C@H](CO)CNC(=O)c1ccc(O)nc1 342158501 IICWCSZFJQLCAJ-VIFPVBQESA-N 236.271 0.702 30 20 BCED C=CC[C@@H](CO)CNC(=O)CCn1cccn1 342217658 WUIHLYARDXKOEL-LLVKDONJSA-N 237.303 0.574 30 20 BCED CC#CCNC(=O)NC[C@]1(C)CCOC1 342435222 XACCZSWPCOMBBB-NSHDSACASA-N 210.277 0.736 30 20 BCED C[C@@H](C#N)C(=O)N[C@H]1COc2ccccc2C1=O 342981634 CKFKIDNJCCFGSA-WPRPVWTQSA-N 244.250 0.906 30 20 BCED CCC(=O)N1CC[C@H](C(=O)N[C@@H](C#N)CC)C1 343485647 ZNFGUXSXOYNYHV-VHSXEESVSA-N 237.303 0.663 30 20 BCED COCCCN(C)C(=O)NCCCC#N 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BCED N#Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)ccn1 1610625597 SZOUATAJFXVKSJ-SECBINFHSA-N 245.238 0.500 30 20 BCED C=C[C@H](COC)NC(=O)NCc1cccnn1 1320889129 VVTSVQNYJJPFHU-SECBINFHSA-N 236.275 0.477 30 20 BCED C=C[C@@H](COC)NC(=O)Nc1nn(C)cc1C#N 1320301594 MATCUBSCHKTKPY-VIFPVBQESA-N 249.274 0.614 30 20 BCED C=C[C@H](COC)NC(=O)CC(=O)OCC 1320448145 SZTGHGREPAPFLI-MRVPVSSYSA-N 215.249 0.257 30 20 BCED C=C(C)CONC(=O)NCC(=O)NCC(C)C 1327284980 XAAPREPACQNXFE-UHFFFAOYSA-N 243.307 0.566 30 20 BCED CN(CCC(N)=O)C[C@@H](C#N)CCC#N 1327888319 BFOQJVDTAVZPNZ-SECBINFHSA-N 208.265 0.237 30 20 BCED CN1CCC(=NNCC2CCOCC2)C1=O 1320764723 UNTLYWLCMQGPBV-UHFFFAOYSA-N 225.292 0.221 30 20 BCED C#C[C@H](C)NC(=O)c1cc(CN(C)C)on1 1320527032 LDAIIFFRRGLLMH-QMMMGPOBSA-N 221.260 0.488 30 20 BCED N#CCC(=O)NC[C@H](CO)Cc1cccnc1 1329904007 HIBPKFBBFKQAAD-LLVKDONJSA-N 233.271 0.262 30 20 BCED C=C[C@](C)(O)CC(=O)N(C)Cc1nc[nH]n1 1324622803 JSHMAEBAQZIIQT-JTQLQIEISA-N 224.264 0.090 30 20 BCED C=C[C@H](COC)NCc1cnn(CC)n1 1326138292 NRIUCNHEYHLRAP-SECBINFHSA-N 210.281 0.589 30 20 BCED N#CCSCC(=O)OCc1nncs1 1330549750 ZPDQCNMAMDYZMW-UHFFFAOYSA-N 229.286 0.838 30 20 BCED C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc[n+]([O-])cc1 1335937473 WTJPZSCSCGCLSA-NEPJUHHUSA-N 248.282 0.783 30 20 BCED CC[C@H](CO)C(=O)Nc1cnc(OC)c(C#N)c1 1336071745 OLDZKFUEXQCZJR-MRVPVSSYSA-N 249.270 0.919 30 20 BCED CCN(CC#N)c1nnnn1C[C@H]1CCOC1 1332996266 RMRLGTZXJIPGGC-SECBINFHSA-N 236.279 0.059 30 20 BCED N#CCCCNC(=O)[C@@H](O)c1ccccn1 1337167921 YMCJSIJVDZGFSP-JTQLQIEISA-N 219.244 0.535 30 20 BCED N#Cc1cccnc1NC[C@H](O)Cn1ccnn1 1186661946 OKWQICCKPIXDGH-JTQLQIEISA-N 244.258 0.018 30 20 BCED C=CC[C@@H](NC(=O)CCCCO)C(=O)OCC 1331949705 HTCPFDDBHDLKNH-SNVBAGLBSA-N 243.303 0.773 30 20 BCED CN(C)CC#CCNC(=O)c1cnoc1C1CC1 1332707388 PAJACWPBRMGZNA-UHFFFAOYSA-N 247.298 0.847 30 20 BCED CN(CCC(=O)O)Cc1cc(C#N)ccn1 1574004943 PXYMKCMWSAZAQE-UHFFFAOYSA-N 219.244 0.860 30 20 BCED COC[C@H](C#N)OC(=O)c1ccc(C#N)c(C)n1 1337664216 HLYMMWWSVDSVGT-JTQLQIEISA-N 245.238 0.957 30 20 BCED C=CCN1CC[C@H](NC(=O)c2cc(C)no2)C1 1010154600 QIQHAIIKVRDVFM-JTQLQIEISA-N 235.287 0.973 30 20 BCED N#C[C@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 1332478535 RGTPFKHIOVYRAC-SNVBAGLBSA-N 231.255 0.696 30 20 BCED C[C@H](C#N)N(c1nnnn1C1CC1)C1CC1 1332958717 SIRCOMPJLJUGFY-SSDOTTSWSA-N 218.264 0.889 30 20 BCED CC#CCCNC(=O)Cc1nnc(N)s1 1263774118 NVKAAYAGRRTPCW-UHFFFAOYSA-N 224.289 0.192 30 20 BCED C=C(Cl)CNC(=O)Cc1nnc(C)o1 1261218599 ZUXOUEODPZUWQX-UHFFFAOYSA-N 215.640 0.789 30 20 BCED Cc1cnc(O)c(CNC(=O)[C@@H](C)C#N)c1 1337493479 YDWKBIWDJNDEAP-QMMMGPOBSA-N 219.244 0.872 30 20 BCED C#CCn1cc(CNC(=O)[C@H]2C[C@@H]2F)cn1 1263804122 JDVJFDFPCDBFOU-UWVGGRQHSA-N 221.235 0.491 30 20 BCED C[C@H](N)CC(=O)NCc1nc(C#N)cs1 1342127360 ZPIFIXRPHSPKBC-LURJTMIESA-N 224.289 0.368 30 20 BCED C=C(CC)C(=O)NC[C@H]1CN(C)CCN1C 1347638572 XVGWMBCZNWVHPN-NSHDSACASA-N 225.336 0.315 30 20 BCED N#Cc1ccc(C(=O)N[C@@H]2CCNC[C@@H]2F)cc1 1580063942 DAPTWBYCUGLDDZ-NWDGAFQWSA-N 247.273 0.988 30 20 BCED C=C(CC)C(=O)N(C)C1CS(=O)(=O)C1 1347352644 QAGUCNXILHGPGO-UHFFFAOYSA-N 217.290 0.208 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)c1cnc(C)nc1C 1263291620 CVPRURSIKCIMCZ-QMMMGPOBSA-N 232.243 0.162 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)c1cnn(C2CCC2)c1 1263311845 SVKZCKWGYKLPRR-JTQLQIEISA-N 246.270 0.677 30 20 BCED CON=CC(=O)Nc1ccc(CCC(N)=O)cc1 1347183754 GLNILBSFALCAGD-UHFFFAOYSA-N 249.270 0.675 30 20 BCED C=CCn1cnnc1SCc1nn[nH]n1 1340035194 OHAMZTCERBCXFA-UHFFFAOYSA-N 223.265 0.270 30 20 BCED C=C[C@H](COC)NC(=O)NCc1cnccn1 1357384556 NJBRCRBLCWVPLB-SECBINFHSA-N 236.275 0.477 30 20 BCED COCC1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1351197611 GKGSVTWNZXVTAJ-GXSJLCMTSA-N 237.303 0.966 30 20 BCED C=C[C@H](CO)NCc1c(Cl)nc(OC)n1C 1353559252 GACHXZBNCJUECL-SSDOTTSWSA-N 245.710 0.719 30 20 BCED Cn1cnc(CNC(=O)c2ccsc2C#N)n1 1356422686 UXSUKWUSZPFDLS-UHFFFAOYSA-N 247.283 0.678 30 20 BCED C=C[C@H](C)ONC(=O)CCc1nccn1C 1352325059 JLYXLUNLJSOZKQ-VIFPVBQESA-N 223.276 0.975 30 20 BCED C=C(C)Cn1nnnc1N1CC[C@@H](COC)C1 1351020522 DGBUXUQVFIQCIS-SNVBAGLBSA-N 237.307 0.722 30 20 BCED CC(=O)N(C)CC(=O)[C@H](C#N)c1nccn1C 1356579337 ZABBXDBGLPJTIK-VIFPVBQESA-N 234.259 0.075 30 20 BCED C#CCNCC(=O)Nc1cccc(F)c1 20033397 QYDFPAXQTCWBNZ-UHFFFAOYSA-N 206.220 0.987 30 20 BCED N#CC1(CN[C@@H](C[C@H]2CCCO2)C(=O)O)CC1 1601055888 FVLHYLGPVBIYQT-ZJUUUORDSA-N 238.287 0.902 30 20 BCED C=C(COC(=O)C(C)(C)C(=O)O)C(=O)OCC 1602711919 AUPWSHFVHDKRJS-UHFFFAOYSA-N 244.243 0.760 30 20 BCED C#CCN(CC(=O)O)Cc1cncnc1OC 1602699256 QANCABBUIVZXOL-UHFFFAOYSA-N 235.243 0.005 30 20 BCED N#Cc1ccc(CNC(=O)CC(=O)O)s1 1601100592 QMVVOGVSTFUGNE-UHFFFAOYSA-N 224.241 0.711 30 20 BCED COCC[C@H](NC(=O)CC(C)(C)C#N)C(=O)O 1606855686 YYABOMPGYCKJDE-QMMMGPOBSA-N 242.275 0.532 30 20 BCED N#CCN(CC(=O)O)C(=O)c1cnn(C2CC2)c1 1601071491 OGSRGVQKCWRALI-UHFFFAOYSA-N 248.242 0.268 30 20 BCED N#Cc1c[nH]nc1NC(=O)C1(C(=O)O)CC1 1608222428 DAPXEOWMHDVXLJ-UHFFFAOYSA-N 220.188 0.085 30 20 BCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C 1801607346 HWNMXCQAMAUDTF-XCVFZXOWSA-N 246.310 0.834 30 20 BCED C=C(Cl)CN[C@H](C)CNC(=O)c1cnn[nH]1 1480494232 VTORSCJURPGKIE-SSDOTTSWSA-N 243.698 0.265 30 20 BCED N#Cc1ccc(C(=O)Nn2ccnn2)s1 1556701494 RYSWWRNHIXFMDQ-UHFFFAOYSA-N 219.229 0.595 30 20 BCED COCC[C@](C)(C#N)NC(=O)[C@@H](C)C(=O)O 1574143268 OKFGWYJTPYWZTC-GMSGAONNSA-N 228.248 0.142 30 20 BCED C=C(Cl)C[C@H](N)C(=O)Nc1n[nH]cc1OC 1574857366 QYMLDSYZRKRFTQ-LURJTMIESA-N 244.682 0.827 30 20 BCED COC[C@H](N)C(=O)Nc1nc(C)cc(C)c1C#N 1579086071 ITLSKEDQMFDSBD-JTQLQIEISA-N 248.286 0.482 30 20 BCED C#C[C@H](CCC)NC(=O)N[C@@H]1CNCC12CC2 1574486424 NRHAWBIPKWXJSJ-GHMZBOCLSA-N 235.331 0.840 30 20 BCED C[C@@H]1CNC[C@H]1NC(=O)c1cccc(C#N)n1 1579465610 LVAHPOGGIQVDAQ-LDYMZIIASA-N 230.271 0.291 30 20 BCED C#CCSCCNC(=O)[C@]1(C(=O)O)C[C@H]1C 1573327561 QUMMFUYBBUOFOG-KCJUWKMLSA-N 241.312 0.580 30 20 BCED N#Cc1csc(CNC2CC3(C2)C[C@@H]3N)n1 1580081951 WMSOINOZKCELDV-DMGUCSGOSA-N 234.328 0.984 30 20 BCED CC[C@H](C(=O)NCc1ccc(C#N)cn1)[C@@H](C)O 1654628219 UPRQSZVFIWTGAG-SKDRFNHKSA-N 247.298 0.976 30 20 BCED C=C[C@@H](Nc1ccn(CCF)n1)C(=O)O 1588702042 HDRLGSDPMZNQMP-SSDOTTSWSA-N 213.212 0.904 30 20 BCED C[C@H](CC(C)(C)C#N)NC[C@](C)(O)C(=O)O 1589008217 UOUONSIYGXOLAK-KCJUWKMLSA-N 228.292 0.740 30 20 BCED C=CC[C@H](C(=O)O)N1CCCS(=O)(=O)CC1 1588730684 UXBBYQWSOLJTQV-SECBINFHSA-N 247.316 0.136 30 20 BCED N#Cc1ncccc1OC(=O)OC1CNC1 1580084725 UCSOFCXHKXDFIN-UHFFFAOYSA-N 219.200 0.440 30 20 BCED C#C[C@@H](CO)NC(=O)c1cc(C)cc(C(=O)O)c1 1588370616 IZBXUAAJYXNJGX-NSHDSACASA-N 247.250 0.417 30 20 BCED C=CC[C@@H](CO)CNC(=O)[C@@H](C(=O)O)C1CC1 1588452857 KVRDCCNSYPBPNC-SCZZXKLOSA-N 241.287 0.398 30 20 BCED C=CCCNC[C@H](C)NC(=O)[C@@H]1CCCO1 1754259661 WXKJJDVHMGLZTO-QWRGUYRKSA-N 226.320 0.836 30 20 BCED CC[C@H](C#N)NC(=O)c1cc(C(=O)O)nn1C 1593609934 XLVZRMHTJITJJA-ZCFIWIBFSA-N 236.231 0.150 30 20 BCED CC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1594777771 DJVUNIXUZQIBRI-RNSXUZJQSA-N 224.260 0.906 30 20 BCED C=CC[C@@H](NC(=O)CC(C)(C)OC)C(=O)O 230928365 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C#CCN1CC(NC(=O)C[C@H]2C=CCC2)C1 1030092207 KZYJEWWBEVLZMS-NSHDSACASA-N 218.300 0.776 30 20 BCED CC#CCN1CC(NC(=O)[C@H]2CCCOC2)C1 1030154330 FRSIUTAXUYLRLS-NSHDSACASA-N 236.315 0.237 30 20 BCED C#CCN1CC(CNC(=O)C2CC=CC2)C1 1031590200 ZSMIKGPCXOSUCG-UHFFFAOYSA-N 218.300 0.634 30 20 BCED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cccnn1 1037630685 VPNNIAOVINPWGW-USWWRNFRSA-N 244.298 0.465 30 20 BCED C=CCN(C[C@H]1CN(C)C(=O)O1)[C@@H](C)COC 1118503308 UJOLKMUJYBLSIY-WDEREUQCSA-N 242.319 0.960 30 20 BCED CC(C)(C)OC(=O)NC1(C(=O)NCC#N)CC1 268530596 WZGFGKNRDFMSOI-UHFFFAOYSA-N 239.275 0.683 30 20 BCED N#Cc1nccc(N2CC(O)(C(F)F)C2)n1 565491676 QLEWBWRSWSHIHO-UHFFFAOYSA-N 226.186 0.164 30 20 BCED C[C@@H]1C[C@H](N=c2cc[nH]c(C#N)c2)CO1 402058547 SLVPGXQLDPQJDG-KCJUWKMLSA-N 203.245 0.964 30 20 BCED Cc1nc(C#N)cc(N[C@H]2CCCCNC2=O)n1 308217853 AYVNLCQJEZHAKM-JTQLQIEISA-N 245.286 0.737 30 20 BCED CC[C@H](CO)Nc1cc(C#N)nc(C)n1 308222414 DDAQFKOAWFPDJI-MRVPVSSYSA-N 206.249 0.840 30 20 BCED 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0.179 30 20 BCED CC#CCn1nnnc1N1CCC[C@](C)(O)CC1 1335732178 VMTGAGSIMBTDSO-LBPRGKRZSA-N 249.318 0.438 30 20 BCED N#CC1(CNC(=O)C(=O)Nc2ccccn2)CC1 1338021259 JKSJQDOGZSCGMV-UHFFFAOYSA-N 244.254 0.440 30 20 BCED N#C[C@H]1CN(C(=S)NCC2CCC2)CCO1 1338653820 NVOOTFYOGHAHKF-JTQLQIEISA-N 239.344 0.885 30 20 BCED C=C(C)CCC(=O)NCC(=O)NCCOC 1338732176 NGRKCRFSTZGZDA-UHFFFAOYSA-N 228.292 0.222 30 20 BCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)O)n1C 1339734281 AFGKDAJZWGSJQL-JGVFFNPUSA-N 223.280 0.607 30 20 BCED CC(=O)CCC(=O)[C@@H](C#N)c1nccn1C 1342925926 WBPPIBPVTWBVTP-SECBINFHSA-N 219.244 0.966 30 20 BCED C=CC[C@@H](NC(=O)CN(C)C)C(=O)OCC 1343378253 WMLKTVXDMGIRTQ-SECBINFHSA-N 228.292 0.172 30 20 BCED N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1343591995 YUZUHXOBMPWEND-ZNSHCXBVSA-N 248.282 0.541 30 20 BCED C#CCNCC(=O)N(C)c1ccc(N)cc1 1344368722 MSBZTARZKFFUCJ-UHFFFAOYSA-N 217.272 0.454 30 20 BCED C[C@@H](CC#N)N(C)C(=O)CCc1c(N)cnn1C 1344399082 KSSRFCCUOCAJNE-VIFPVBQESA-N 249.318 0.695 30 20 BCED C#CCOCCN(C)C(=O)C1(C(=O)CC)CC1 1347683269 PQCWLCITPOEHKG-UHFFFAOYSA-N 237.299 0.854 30 20 BCED C[C@@H]1CCCN(C(=O)CCNC(=O)CC#N)C1 1348624701 FMWSJYUZDFRHKX-SNVBAGLBSA-N 237.303 0.665 30 20 BCED N#CCC1(CNC(=O)NCC2(N)CC2)CC1 1353401985 FQTWNTSQVANHSC-UHFFFAOYSA-N 222.292 0.471 30 20 BCED C=C(C)CCC(=O)NC[C@@H]1CCCNC1=O 1357898659 QWQUDUBOAZIDOV-JTQLQIEISA-N 224.304 0.985 30 20 BCED C=CCCC[C@H](N)C(=O)N1CCNC(C)(C)C1 1521557217 ZIAXVWMWMCAQQJ-NSHDSACASA-N 239.363 0.880 30 20 BCED C=C[C@@H](O)C(=O)N1CCC(NC(=O)CC)CC1 1522018319 GSCCQEVIKWDGHJ-SNVBAGLBSA-N 240.303 0.051 30 20 BCED C=C(CC)C(=O)N(C)Cc1nncn1C 1528419209 ZSRTYAVZXMBQDS-UHFFFAOYSA-N 208.265 0.740 30 20 BCED CC1=NO[C@](C)(C(=O)Nc2c[nH]nc2C#N)C1 1530153266 NVVKNIJVAWBABN-JTQLQIEISA-N 233.231 0.775 30 20 BCED C[C@H](C#N)C(=O)NC1CN(C(=O)C2(C)CC2)C1 1530617956 IFEYCMKQAGDWNJ-MRVPVSSYSA-N 235.287 0.273 30 20 BCED CCn1ccc(C(=O)Nc2c[nH]nc2C#N)n1 1543038340 HUKOWEAXEKQKQS-UHFFFAOYSA-N 230.231 0.750 30 20 BCED N#CCc1cccc(NC(=O)NCCC(=O)O)n1 1574242017 UGVAFNWFKMAHBC-UHFFFAOYSA-N 248.242 0.744 30 20 BCED C=CCN(C)c1nnc(C)n1CC(C)(C)N 1574924999 DTTTZOVTZCSSTB-UHFFFAOYSA-N 223.324 0.946 30 20 BCED CC#CC[C@@H](CO)NCCC1(N)CCOCC1 1574962386 KRXAUMJYXHUFCX-LBPRGKRZSA-N 240.347 0.248 30 20 BCED C[C@@]1(C(=O)Nc2ccn(CCC#N)n2)CCCN1 1579473360 WLVNGSKUHOPTKE-LBPRGKRZSA-N 247.302 0.877 30 20 BCED N#Cc1c[nH]cnc1=NCc1csc(N)n1 1580081946 WDTNLYWTQWMGCM-UHFFFAOYSA-N 232.272 0.421 30 20 BCED C=C[C@@H](COC)NC(=O)N1CC[C@H](C(=O)O)C1 1588450930 HSJILYLUIBKKBH-IUCAKERBSA-N 242.275 0.304 30 20 BCED C=C1CN(c2ncncc2-c2nn[nH]n2)C1 1588462464 HSTBWXVZERZKKY-UHFFFAOYSA-N 215.220 0.033 30 20 BCED C#CCOCCN1CCC[C@@]1(COC)C(=O)O 1588491765 VSUSOAAZTXTVEV-GFCCVEGCSA-N 241.287 0.202 30 20 BCED C=C[C@](C)(O)c1cn(C2(C(=O)O)CC2)nn1 1588683885 GMHWUMWORMLPKZ-VIFPVBQESA-N 223.232 0.245 30 20 BCED C=C[C@@H](C)ONC(=O)N1CCC(C(=O)O)CC1 1588686810 FZMUSBDFGZPQGO-MRVPVSSYSA-N 242.275 0.999 30 20 BCED C=C[C@@H](OC(=O)/C=C/COC)C(=O)O 1588710665 HARRDKFGIOTIDM-SMMXGFFBSA-N 200.190 0.371 30 20 BCED CC(C)(C)[C@@H](NCC(=O)NCCC#N)C(=O)O 1589717704 PXBMGTHJGIKKLI-VIFPVBQESA-N 241.291 0.105 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@H]1CC[C@H]1C(=O)O 1593952134 BACJEBCNAKVJFE-RNSXUZJQSA-N 240.259 0.142 30 20 BCED C#CC[C@H]1CCN(C(=O)C2(C(=O)O)CC2)C1 1602701384 HRCNXRIXRXTJJB-VIFPVBQESA-N 221.256 0.723 30 20 BCED C=C[C@H](CO)N[C@@H](C(=O)O)[C@H](C)CC 1602944814 IXCFNWXSFBVVHM-IWSPIJDZSA-N 201.266 0.622 30 20 BCED C[C@@H](CC#N)NC(=O)c1cc(C(=O)O)nn1C 1603118847 LQYWLRWFAYTDBM-LURJTMIESA-N 236.231 0.150 30 20 BCED CC(=O)c1cc(Cn2cc(C#N)nn2)on1 1641172661 HKMGMDRDOBPQOT-UHFFFAOYSA-N 217.188 0.389 30 20 BCED C=CCNC[C@H]1CCCCN1C(=O)c1cnn[nH]1 1713264046 VHMQTESMTAQEFA-SNVBAGLBSA-N 249.318 0.575 30 20 BCED C#CCN[C@@H](C)CNC(=O)/C=C/c1ccc[nH]1 1752873457 VFGYTXYRHTUZBQ-MLRMMBSGSA-N 231.299 0.755 30 20 BCED C=CCNC[C@@H](C)N(C)C(=O)Cc1cnoc1 1753708398 FHYLTMXMDQCRAG-SNVBAGLBSA-N 237.303 0.840 30 20 BCED Cc1occc1C(=O)NC/C=C\CNCC#N 1754091557 FVPFSIWTIYOQDI-IHWYPQMZSA-N 233.271 0.987 30 20 BCED N#CCNC/C=C/CNC(=O)c1cnco1 1754154468 ATQMAAUBZSQEOP-OWOJBTEDSA-N 220.232 0.074 30 20 BCED CC#CCNC[C@H](C)NC(=O)[C@H](CC)OCC 1754258386 CTTHXYUVODVYKR-RYUDHWBXSA-N 240.347 0.919 30 20 BCED C=CCN[C@H](CO)CNC(=O)/C=C\C(C)(C)C 1755622356 GXOAVOUCDLZAJB-ZADCQDASSA-N 240.347 0.841 30 20 BCED O=C(O)CNN=Cc1cc2cnccc2[nH]1 1776079101 HMZBCYNFBDKNJK-UHFFFAOYSA-N 218.216 0.571 30 20 BCED C=CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 5517588 ZBILGGPGLNTTDC-QMMMGPOBSA-N 217.290 0.113 30 20 BCED N#CCN1C(=O)c2cccc(N)c2C1=O 19271112 ODUZZDMEBSVVGX-UHFFFAOYSA-N 201.185 0.388 30 20 BCED C#CCNS(=O)(=O)c1cccc(N)c1 40315933 CDIPDHAJNTYVRZ-UHFFFAOYSA-N 210.258 0.180 30 20 BCED Cc1c(N)cccc1C(=O)OCC(=O)NCC#N 41098917 AFPHFUOAZVZNQD-UHFFFAOYSA-N 247.254 0.374 30 20 BCED CC(C)(C#N)C(=O)N[C@@H]1CCN(C2CC2)C1 44752906 UTBFJHRVCBDWFL-SECBINFHSA-N 221.304 0.889 30 20 BCED C[C@@H](CNC(=O)C1(C#N)CCOCC1)N(C)C 45109496 SDUACXWOBPAISN-JTQLQIEISA-N 239.319 0.373 30 20 BCED N#Cc1nccnc1OC[C@@H]1CCNC1 54378970 YZZQCNOGYUJUBB-MRVPVSSYSA-N 204.233 0.337 30 20 BCED N#CCN1CCC[C@@H]1C(=O)N1CCSCC1 68554804 ZAMKHVLWOFCXOL-SNVBAGLBSA-N 239.344 0.550 30 20 BCED C[C@@H]1C[C@H]1/C(O)=N/S(=O)(=O)c1cnn(C)c1 69642646 YTGMKYDFCXNSQE-HTRCEHHLSA-N 243.288 0.721 30 20 BCED C[C@H](NCC(=O)NCC#N)C1CCCC1 69804718 HNLLLUSHZKZWEC-VIFPVBQESA-N 209.293 0.794 30 20 BCED COCCNC(=O)Cc1ccc(C#N)cc1 70153112 NBXKNZMMSUTJNM-UHFFFAOYSA-N 218.256 0.863 30 20 BCED Cn1cccc1CNC(=O)N1CCO[C@H](C#N)C1 74922869 OCSPECVKYWJLGD-LLVKDONJSA-N 248.286 0.459 30 20 BCED C=CCNC(=O)NC(=O)[C@H](C)N(C)CC1CC1 77194739 JBDIVHMUVKZLJF-VIFPVBQESA-N 239.319 0.729 30 20 BCED C[C@H](NC[C@H](O)CO)c1cccc(C#N)c1 85246746 RGSFAYCVVHDQAZ-CABZTGNLSA-N 220.272 0.562 30 20 BCED N#Cc1cc(N2C[C@@H]3CNC[C@H]3C2)ccn1 85283637 OWZIWVDNYQTCGF-UWVGGRQHSA-N 214.272 0.609 30 20 BCED CCCN(CC(=O)OC)S(=O)(=O)[C@@H](C)C#N 88477431 DJCZYNBKESEOPO-QMMMGPOBSA-N 248.304 0.113 30 20 BCED C[C@H]1[C@@H](C(=O)O)CCN1c1cnc(C#N)cn1 92922948 PSOOLUVZBCJDAT-CBAPKCEASA-N 232.243 0.648 30 20 BCED CN(C)C(=O)NCCNc1ccc(C#N)cn1 96955649 OBVVDHPSIBEXBM-UHFFFAOYSA-N 233.275 0.636 30 20 BCED CN(CC#N)CN1C(=O)C(=O)c2ccccc21 101536793 TYSDRNJWXPVMEH-UHFFFAOYSA-N 229.239 0.629 30 20 BCED CCN(CCC#N)C(=O)[C@H]1C[C@@H]1C(=O)OC 103210175 NLDHZHUATWXGGS-IUCAKERBSA-N 224.260 0.558 30 20 BCED CS(=O)(=O)CCSc1nccnc1C#N 104352599 PGQIMVLXXSSOOG-UHFFFAOYSA-N 243.313 0.485 30 20 BCED COCCNC(=O)Cc1ccc(OCC#N)cc1 110593078 DLWCOXZFZUDFRQ-UHFFFAOYSA-N 248.282 0.894 30 20 BCED CC(C)Cn1ncnc1CO/N=C(\N)CCO 121351632 KKEQIVZSAHTOTM-UHFFFAOYSA-N 241.295 0.105 30 20 BCED C#CCSCCNC(=O)N(CC)CCO 121447923 FKKJSYBSTYFMOL-UHFFFAOYSA-N 230.333 0.377 30 20 BCED C=CCNC(=O)N[C@@H]1CCN(C(=O)CC)C1 123971467 CBYWMJHNXJAPBK-SECBINFHSA-N 225.292 0.483 30 20 BCED CC1(C)CN(CN2CCO[C@@H](C#N)C2)C(=O)O1 124137796 RSGMVUAEHIFZFK-VIFPVBQESA-N 239.275 0.399 30 20 BCED CCOC(=O)N1CCC[C@@H](C(=O)NCC#N)C1 126899542 LOGSSZHQCNRLJW-SECBINFHSA-N 239.275 0.495 30 20 BCED C#CCNCC(=O)NCCCOCCCC 135834299 UGFZUKFEBDJPDC-UHFFFAOYSA-N 226.320 0.532 30 20 BCED C=CCN(CC#CC)[C@H]1CCS(=O)(=O)C1 157967183 ISNJLWAXLCUWFM-NSHDSACASA-N 227.329 0.685 30 20 BCED CS[C@@H](C)CNS(=O)(=O)CCCC#N 157982247 NTWFICUUZLDSKQ-QMMMGPOBSA-N 236.362 0.961 30 20 BCED C=CC[C@@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 161298212 MMFXXILTKOTYMG-NXEZZACHSA-N 249.318 0.857 30 20 BCED CC#CCOC(=O)c1c(C)nn(C)c1OC 175439135 QOSZKIPENILDRE-UHFFFAOYSA-N 222.244 0.917 30 20 BCED C=C[C@@](C)(CCOC)C(=O)NCC(=O)NC 188005274 PSFCSBOSMVHPOW-NSHDSACASA-N 228.292 0.077 30 20 BCED C=CCCS(=O)(=O)NC[C@@H](C)OC 190753893 GAWABWBIPDVHKU-MRVPVSSYSA-N 207.295 0.517 30 20 BCED C=CCCC(=O)N[C@H](C)C(=O)N(C)CC 191598795 WLGJHQPRSQSASE-SECBINFHSA-N 212.293 0.936 30 20 BCED C#CCCCNC(=O)Cn1ccc(C)cc1=O 194769626 UEGDQCGVVICUIG-UHFFFAOYSA-N 232.283 0.686 30 20 BCED CC[C@H](C)N(C)CCNS(=O)(=O)[C@@H](C)C#N 219305217 LSJHGVALXIAVRM-UWVGGRQHSA-N 247.364 0.548 30 20 BCED C#C[C@@H](CC)NC[C@@H](O)CN1CCCC1 229962386 ZKNAHTVFMRLQSP-NWDGAFQWSA-N 210.321 0.445 30 20 BCED N#Cc1ccc(C(=O)NC[C@H](O)C(F)F)nc1 230240113 QMFLHHGVEBJJGM-QMMMGPOBSA-N 241.197 0.309 30 20 BCED O=C(C#Cc1ccccc1)NCC(F)(F)CO 231902622 SLSGGGPJRINCGG-UHFFFAOYSA-N 239.221 0.782 30 20 BCED C#C[C@@H](C)Nc1cnc(C(=O)OC)cn1 234562800 UEMXFTTZZGXDSY-SSDOTTSWSA-N 205.217 0.697 30 20 BCED C=CCCS(=O)(=O)N1CCN[C@@H](C)C1 237623360 XUDLPUNPDBEESG-VIFPVBQESA-N 218.322 0.186 30 20 BCED CN(CCC#N)C(=O)[C@@H]1CCCCN1C 259934409 KMJFVFCBBYBOLO-JTQLQIEISA-N 209.293 0.843 30 20 BCED CCN(CC)/C(N)=N/Cc1ncnn1CC 262477997 QQAHEZKWKYDMSI-UHFFFAOYSA-N 224.312 0.455 30 20 BCED C=CCCS(=O)(=O)N(CC(N)=O)CC(C)C 268567270 QGVZRUANGQIBDN-UHFFFAOYSA-N 248.348 0.336 30 20 BCED C=CCS(=O)(=O)CCNC(=O)/C=C/C=C/C 272911944 IBIYCLIWTHUONO-TWTPFVCWSA-N 243.328 0.836 30 20 BCED CC#CCNC(=O)[C@H](CC(C)C)NC(C)=O 272935386 KYKJHXWKMPNMOV-NSHDSACASA-N 224.304 0.677 30 20 BCED C#C[C@@H](C)NC(=O)NCCn1ccnc1C 274806830 OALYDYMHIYETFO-SECBINFHSA-N 220.276 0.512 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](O)C1 278988773 FJQQWTUCUFUUEL-GMTAPVOTSA-N 225.288 0.561 30 20 BCED C#C[C@@H](C)NC(=O)Cc1ncccc1F 279394609 AFUZLTJJJSKSPW-MRVPVSSYSA-N 206.220 0.901 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)O 281639139 VUEZQDPNXXHDNV-AXFHLTTASA-N 242.319 0.648 30 20 BCED C=C(Cl)CNC(=O)N[C@@H]1C(=O)NCC[C@@H]1C 281946360 UFMAKCUIDGIGBO-XPUUQOCRSA-N 245.710 0.563 30 20 BCED CCc1ncnc(NCC#CCO)c1F 285785573 XBYHFFWGGYIYFL-UHFFFAOYSA-N 209.224 0.586 30 20 BCED COC(=O)C[C@H](C)CC(=O)N1CC(C)(C#N)C1 289328709 LURABJFRXNVLKW-SECBINFHSA-N 238.287 0.948 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H](CC)CSC 293130310 VVBGWVBSLZRHMG-BDAKNGLRSA-N 232.349 0.974 30 20 BCED C#CCO[C@H](C)C(=O)N[C@H](C(=O)OC)C(C)C 294242422 BUWSJJMDPCKQEW-ZJUUUORDSA-N 241.287 0.339 30 20 BCED C#CCO[C@H](C)C(=O)NCCOCC1CC1 294519505 GOJGDVNRXVCUBS-SNVBAGLBSA-N 225.288 0.568 30 20 BCED CC/C=C/CNS(=O)(=O)N(C)C[C@H](C)C#N 295470001 LUYCSJIALCPXNW-BRAIEQGRSA-N 245.348 0.878 30 20 BCED C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC(=O)N1 296317355 SPHABUXGZCIPHM-VIFPVBQESA-N 243.266 0.519 30 20 BCED C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCOC1 296558974 PJCZIZZGDCYUCV-ONGXEEELSA-N 211.261 0.320 30 20 BCED C=CCOCCNC(=O)N[C@@H](CCC)C(=O)O 304256437 SFVGFPWEGGTMGP-VIFPVBQESA-N 244.291 0.742 30 20 BCED CN/C(=N\CCCO[C@H]1CCOC1)NC1CC1 304983164 ADKXYTWERNHRFB-NSHDSACASA-N 241.335 0.509 30 20 BCED C=CCCS(=O)(=O)NC[C@H](C)CO 305185058 DMBLLTKYLWBZNL-QMMMGPOBSA-N 207.295 0.110 30 20 BCED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O 305296648 GOJROSZOWYKXKM-SRVKXCTJSA-N 238.331 0.217 30 20 BCED CC(=O)N[C@H]1CCN(c2cc(C#N)nc(C)n2)C1 308482368 NRXNZNNVEBIRPO-JTQLQIEISA-N 245.286 0.372 30 20 BCED C#C[C@@H](CC)Nc1nccn2nnnc12 308932914 KBDFDUIPPKGCBB-ZETCQYMHSA-N 202.221 0.343 30 20 BCED N#Cc1ccc(C(=O)NCC2(CO)CC2)o1 309358374 OGEWTJJATGUDNK-UHFFFAOYSA-N 220.228 0.654 30 20 BCED N#Cc1cncnc1N1CCN(CC2CC2)CC1 310635092 QACZZKNVODTHKK-UHFFFAOYSA-N 243.314 0.880 30 20 BCED C=CCOCCNC1CCN(OC)CC1 323100641 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243.303 0.045 30 20 BCED N#C[C@@H]1COCCN1C[C@H]1CCCC[C@@H]1O 593019012 NDJOTLYGJCASNE-UTUOFQBUSA-N 224.304 0.762 30 20 BCED COC(=O)[C@H](Cc1ccncc1)NC(=O)CC#N 594363320 NXKCUGIIHWTETC-JTQLQIEISA-N 247.254 0.196 30 20 BCED CC[C@@H](CO)N(C)S(=O)(=O)CCCC#N 594776482 DESOGAZZJNFGIL-VIFPVBQESA-N 234.321 0.323 30 20 BCED C[C@H](CO)[C@H]1CCCCN1CC(=O)NCC#N 595670778 CTARGEQWBUKUSF-GHMZBOCLSA-N 239.319 0.109 30 20 BCED Cn1ncc(C#N)c1N1CCC[C@H](CO)C1 596054228 ANHAOYVHGTWLTN-VIFPVBQESA-N 220.276 0.500 30 20 BCED CCN1C[C@@H](Nc2c(C#N)cnn2C)CC1=O 596262504 DMEVVJDKEAQTEW-VIFPVBQESA-N 233.275 0.324 30 20 BCED N#Cc1ccc(NCC2(C#N)CCC2)nn1 596276446 CZFJDPABTFMEOA-UHFFFAOYSA-N 213.244 1.454 30 20 BCED CCN(C[C@H](C)C#N)C(=O)c1cc(O)n(C)n1 596825868 HAARAGQIMZBPEY-MRVPVSSYSA-N 236.275 0.747 30 20 BCED CC[C@@](C)(C#N)NC(=O)C[C@@H]1CCC(=O)N1C 597042846 STLQPBYFVWIYBY-CABZTGNLSA-N 237.303 0.806 30 20 BCED CCOCCn1cc(C(=O)N(C)CC#N)cn1 598897164 XJUVZMQHLMSMCY-UHFFFAOYSA-N 236.275 0.515 30 20 BCED CN1CCC(CC(=O)Nc2n[nH]cc2C#N)CC1 601640164 XBHMOSYRNSBCRC-UHFFFAOYSA-N 247.302 0.952 30 20 BCED N#CC1(C(=O)N[C@@H](CCN)C(F)F)CCC1 602495845 NUSPRWNIQIKLAF-ZETCQYMHSA-N 231.246 0.779 30 20 BCED CC(C)(C)[C@@H](NCc1ccnc(C#N)c1)C(N)=O 610993579 VEQUVWXBYXKJHL-NSHDSACASA-N 246.314 0.943 30 20 BCED COCC#CCN1CCC[C@@H]1C(=O)OC 611140326 PORRNRQPSYZNOJ-SNVBAGLBSA-N 211.261 0.274 30 20 BCED C=C[C@H](O)C(=O)Nc1ccc(OCCO)cc1 612625553 FDDMCOUOFDSGRH-NSHDSACASA-N 237.255 0.543 30 20 BCED C=C[C@H](O)C(=O)N[C@H](C)c1nnc(C)s1 613500012 DRVPDLVMIXVMPZ-VDTYLAMSSA-N 227.289 0.571 30 20 BCED CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@](F)(C#N)C1 615588358 PGGWUOGGMGTXDC-IQJOONFLSA-N 226.251 0.876 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](C1CC1)[C@@H](CO)C1CC1 615852321 WHUHPQDZKHQONG-SRVKXCTJSA-N 239.315 0.447 30 20 BCED CCC[C@@H](C#N)NC(=O)C1CN(C(C)=O)C1 615963142 LNQXAXXEOWCOGE-JTQLQIEISA-N 223.276 0.273 30 20 BCED C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1O 617125833 ZBCGUNGBQUFLJR-GHMZBOCLSA-N 227.304 0.999 30 20 BCED C=CCCNC(=O)[C@H](C)CN1CCOCC1 617616924 NIZRUIYGHIGEOC-LLVKDONJSA-N 226.320 0.647 30 20 BCED N#Cc1nccnc1NC[C@H]1CCCC(=O)N1 618981483 KWBHKFNPZAIOQS-MRVPVSSYSA-N 231.259 0.429 30 20 BCED CC[C@@H](C)N(CC#CCOC)CC(=O)OC 619622185 MSXSSNCFBOYPIW-LLVKDONJSA-N 227.304 0.910 30 20 BCED C=CCN(C)C(=O)C(=O)NCC1CC=CC1 625383192 JPIUJQFPKYUFMG-UHFFFAOYSA-N 222.288 0.713 30 20 BCED C=CC[C@@H](C)NC(=O)[C@@]1(N)CC1(F)F 634270386 NPTQVMGUBKTQEP-SVRRBLITSA-N 204.220 0.804 30 20 BCED CC#CCCNC(=O)CCCc1nn[nH]n1 635776906 ASCHAEJIVBCDPV-UHFFFAOYSA-N 221.264 0.052 30 20 BCED C=C[C@H](O)C(=O)N(C)Cc1c[nH]nc1C 636071027 YDVMFSVBQNZEGX-VIFPVBQESA-N 209.249 0.223 30 20 BCED C=CCn1cc(CNC(=O)[C@@H](C)NCC)nn1 638363450 UKVYGMSKPAXSDK-SECBINFHSA-N 237.307 0.078 30 20 BCED C=CCCN(C)c1cc(C(N)=O)ncn1 641525078 IONRIVNMBJRKLE-UHFFFAOYSA-N 206.249 0.588 30 20 BCED C=C[C@@H](O)C(=O)NCc1cn2ccc(C)cc2n1 646727539 WLKIAJIRCUTSCG-LLVKDONJSA-N 245.282 0.806 30 20 BCED C=C[C@@H](O)C(=O)N[C@H](C)C1CCOCC1 646907494 OSQAHWHODLPAIT-PSASIEDQSA-N 213.277 0.465 30 20 BCED C=C(C)CN1CCN(CCOCCOC)CC1 649897220 NMTDZNBHKQDFDR-UHFFFAOYSA-N 242.363 0.843 30 20 BCED C=CCN(C)C(=O)[C@@H]1CCCS(=O)(=O)C1 651774332 WJFMFXZQTNQGBK-SECBINFHSA-N 231.317 0.456 30 20 BCED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)CNC 659500719 FTAGRJFESILLLD-MXWKQRLJSA-N 241.335 0.627 30 20 BCED C=CCN(C[C@H]1COCCO1)[C@@H](C)COC 661238964 AWPPGCIRJQRKME-RYUDHWBXSA-N 229.320 0.925 30 20 BCED C=CCCNC(=O)NC[C@H](O)COCC1CC1 665945650 MCALKWZXISSPSF-NSHDSACASA-N 242.319 0.649 30 20 BCED C=C(C)CS(=O)(=O)N(C)C[C@H](O)C1CC1 684763072 FESOKPXCJIQULS-JTQLQIEISA-N 233.333 0.595 30 20 BCED C#CCN(CC1CC1)C(=O)c1ccc(=O)n(C)n1 700596410 DPEUXPSSSWMQBY-UHFFFAOYSA-N 245.282 0.266 30 20 BCED C#C[C@H](NC[C@@H](O)Cn1cccn1)C(C)(C)C 702284212 BEFSPINCQJYVGU-NEPJUHHUSA-N 235.331 0.882 30 20 BCED N#CCOc1ccc(NC(=O)C[C@H](O)CN)cc1 703402153 UXYDVEROBAQGGT-JTQLQIEISA-N 249.270 0.237 30 20 BCED C[C@@]1(NC(=O)Cc2ccc(C#N)cc2)CCNC1 704665129 JTNCMBHFOTYABU-CQSZACIVSA-N 243.310 0.969 30 20 BCED C[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)O 704698962 MCNSGBLOPRFVHA-QMMMGPOBSA-N 232.239 0.690 30 20 BCED C#CCCS(=O)(=O)N(C)CC1(C)COC1 710939858 YNEZPKXZERAIKF-UHFFFAOYSA-N 231.317 0.308 30 20 BCED C#CCCS(=O)(=O)NCc1scnc1C 711174907 OBNSWMIFULXPHL-UHFFFAOYSA-N 244.341 0.894 30 20 BCED C=CCOCCN1CC(F)(F)C[C@@H]1C(=O)O 713555542 KGYHNSLKDQXIEJ-MRVPVSSYSA-N 235.230 0.983 30 20 BCED CO[C@H]1C[C@H](CNC(=O)[C@@H](N)CCCC#N)C1 714736919 RKHAVBJIMGOJBR-DCAQKATOSA-N 239.319 0.549 30 20 BCED Cc1cc(CNC(=O)CSCC#N)n[nH]1 716128068 GIEWBIRRPWITOQ-UHFFFAOYSA-N 224.289 0.591 30 20 BCED CC#CC[C@H](CO)NC1CCN(C)CC1 717794627 OTBFXVBTEBRBMF-GFCCVEGCSA-N 210.321 0.445 30 20 BCED C#CC[C@H](CO)NCc1ccoc1C(=O)O 717809930 BFMYHRXIFSKWJH-SECBINFHSA-N 223.228 0.452 30 20 BCED C=CCOCCN1CC[C@H](C2OCCO2)C1 719091572 OOIVGDCBIHGODB-NSHDSACASA-N 227.304 0.884 30 20 BCED C#CCCOC(=O)CCCNC(=O)C1CC1 727042287 YTJOOJUVUKDZRQ-UHFFFAOYSA-N 223.272 0.859 30 20 BCED CC(C)c1noc(OCC(=O)NCCC#N)n1 730731215 NQJCTICJUAKQRX-UHFFFAOYSA-N 238.247 0.602 30 20 BCED CC1(C)CN(CC(=O)NCCC#N)CCCO1 735311868 XWMNZTKPSLKSBC-UHFFFAOYSA-N 239.319 0.517 30 20 BCED C=CCNC(=S)NC[C@@H](O)C1CCOCC1 736450301 PZPHIONWDKOQCM-SNVBAGLBSA-N 244.360 0.424 30 20 BCED COC[C@H](C#N)OC(=O)[C@@H]1[C@H]2CCCO[C@H]21 751603478 FYYFIYDNNGROBU-SGIHWFKDSA-N 225.244 0.493 30 20 BCED C=CCOCCCC(=O)Nc1cnnn1C 752955002 UOIWZYRVEULDGJ-UHFFFAOYSA-N 224.264 0.736 30 20 BCED C#CCOCCNC(=O)NC[C@@H](O)[C@H](C)CC 753384882 SYWTWDSOXWWCCX-GHMZBOCLSA-N 242.319 0.342 30 20 BCED C=CCCOCC(=O)N[C@@](C)(CO)C1CC1 759558808 XOUREKORHFQSGM-LBPRGKRZSA-N 227.304 0.856 30 20 BCED C#CCCc1noc(CNS(=O)(=O)CC)n1 762005856 CFMNZRONKANXBD-UHFFFAOYSA-N 243.288 0.075 30 20 BCED C#CCCc1noc([C@H]2C[C@H]2C(=O)OC)n1 762010726 PMSFBRZGPOZIBM-JGVFFNPUSA-N 220.228 0.912 30 20 BCED CCC(=O)N[C@@H](C)C(=O)OC1(C#N)CCC1 762094016 IEMSQMDPPYFVRV-QMMMGPOBSA-N 224.260 0.891 30 20 BCED CS(=O)(=O)c1cc(C(=O)OCC#N)cs1 767047046 SYUHIOUQSTUPKK-UHFFFAOYSA-N 245.281 0.832 30 20 BCED O=C1CCCN1N=Cc1ccc(O)c(O)c1O 769594144 YMERFCQQHSOPTP-UHFFFAOYSA-N 236.227 0.760 30 20 BCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)C1=COCC1 770869216 ULOQVAPWZGUCKP-VIFPVBQESA-N 245.238 0.616 30 20 BCED C#Cc1ccc(C(=O)NC[C@@H](C)CCO)nc1 771652985 MZBBPPQNMMDDGE-JTQLQIEISA-N 232.283 0.811 30 20 BCED C#C[C@@H](C)NC(=O)c1ccc(C(N)=O)o1 772969573 QCWXASVMTNWJAO-ZCFIWIBFSA-N 206.201 0.130 30 20 BCED C#C[C@H](C)NC(=O)N[C@H](C#C)[C@H]1CCCO1 773598970 PXXFJQBJEFLCJZ-HBNTYKKESA-N 220.272 0.488 30 20 BCED CC(C)(C#N)CNC(=O)N[C@@](C)(CO)C1CC1 781954126 CMXAQDAAGZFODN-LBPRGKRZSA-N 239.319 0.996 30 20 BCED COc1cc(C(C)=NNC(=N)N)ccn1 782187624 RCYYKGSZSQXZJC-UHFFFAOYSA-N 207.237 0.297 30 20 BCED CN1CC[C@H](OC(=O)c2ccc(C#N)[nH]2)C1=O 786080766 HLUQCKUBJJQHLK-VIFPVBQESA-N 233.227 0.274 30 20 BCED N#Cc1ccc(C=NN[C@@H]2CCOC2)o1 788445937 KVJJMRJYWQWSOI-MRVPVSSYSA-N 205.217 0.864 30 20 BCED C#CCCCNC(=O)Cn1c(C)cc(C)nc1=O 789890870 JXLRZHKYJQUVGC-UHFFFAOYSA-N 247.298 0.390 30 20 BCED C#CCOCCC(=O)OCC(=O)C1(C)CC1 795566415 LYKWEWYCBCXDIC-UHFFFAOYSA-N 224.256 0.939 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@@H](CC)OCC 799081882 PPDLYYADMLATDX-GHMZBOCLSA-N 227.304 0.692 30 20 BCED C#CC(=O)N1CCOc2cc(O)ccc2C1 804574442 VMNPIEXDQMXCMD-UHFFFAOYSA-N 217.224 0.746 30 20 BCED CON=CC(=O)Nc1ccc2nccn2c1 809678684 LFMYURCMGZMAML-UHFFFAOYSA-N 218.216 0.905 30 20 BCED C#CCCCS(=O)(=O)N[C@H](C)[C@H](C)OC 810096361 LPMNXDBXGGJXPB-ZJUUUORDSA-N 233.333 0.743 30 20 BCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC[C@@H](C)C1 810771780 PNESVLDUAOZEKO-NXEZZACHSA-N 243.328 0.892 30 20 BCED C#CCNC(=O)COC(=O)c1conc1C1CC1 811318938 VZRZYERUMORHTP-UHFFFAOYSA-N 248.238 0.458 30 20 BCED C=CCOC[C@@H]1NC(=O)N(OC2CCC2)C1=O 811844178 OBXVNFSKPHUJLI-VIFPVBQESA-N 240.259 0.594 30 20 BCED C#CCONC(=O)COCc1ncc(C)o1 812785987 WIOFRHAKLAGRFB-UHFFFAOYSA-N 224.216 0.181 30 20 BCED C=C[C@H](O)C(=O)O[C@@H](C(=O)OC)C1CC1 814546051 TXFPYALVXIIRML-JGVFFNPUSA-N 214.217 0.028 30 20 BCED C=C[C@@H](O)C(=O)OCCn1ccnc1C 814547128 SWAWDJXZXGVELM-SECBINFHSA-N 210.233 0.282 30 20 BCED C=C[C@H](O)C(=O)OCCCCCCO 814547767 GWQMHUCXHZKWGS-VIFPVBQESA-N 202.250 0.629 30 20 BCED Cn1nncc1NN=Cc1cc(CO)ccc1O 814981339 CQPILSVFAWYTHF-UHFFFAOYSA-N 247.258 0.459 30 20 BCED C#C[C@H](C)NC(=O)N1CCC[C@H]1CCO 820401451 ZZWIZLZTHTXQCX-UWVGGRQHSA-N 210.277 0.565 30 20 BCED CSC[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)O 820905973 BJBZKPJIKKSSDP-XVKPBYJWSA-N 244.316 0.859 30 20 BCED C=CCCn1cc(C(=O)OC[C@@H](C)O)nn1 820970209 AAKDYELCPKYTKK-MRVPVSSYSA-N 225.248 0.392 30 20 BCED COc1cc(C(=O)/C=C/c2cnnn2C)on1 821021472 GBUVPQDDAHXITK-ONEGZZNKSA-N 234.215 0.708 30 20 BCED C#CCOCCNC(=O)c1cc2ncccn2n1 823700147 FWNNVRMKVGLOSR-UHFFFAOYSA-N 244.254 0.109 30 20 BCED CC#CC[C@@H](CO)NC(=O)NOC/C=C\Cl 827091445 WUJDVOGNSFWUFE-RNEXMXFGSA-N 246.694 0.744 30 20 BCED C#CC1CCN(CCCS(C)(=O)=O)CC1 830321677 WZWAXKVJKCHHMX-UHFFFAOYSA-N 229.345 0.766 30 20 BCED CO[C@@H]1CN(C(=O)C#Cc2ccccc2)CCO1 832728138 WIKPSPZQQUKOEU-AWEZNQCLSA-N 245.278 0.869 30 20 BCED N#CC1(NC(=O)c2ccnc(C(=O)O)c2)CCC1 833064660 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249.332 0.983 30 20 BCED C#CCN(CC)C(=O)[C@H](C)OCCOCC 299139134 GZWMTAQWSKXIAV-NSHDSACASA-N 227.304 0.910 30 20 BCED C=C[C@@H](N[C@@H](COC)C(C)C)C(=O)O 301049741 RVKPCXPYOCHXBS-BDAKNGLRSA-N 201.266 0.886 30 20 BCED CCCCN/C(N)=N/Cc1nc(C)no1 303899028 VXBBLBZLOXPXJO-UHFFFAOYSA-N 211.269 0.582 30 20 BCED C=CCOCCNC(=O)N[C@](C)(CC)C(=O)O 304215404 GEJSOCNUNGRMKH-LLVKDONJSA-N 244.291 0.742 30 20 BCED Cc1sc(=O)n(CC(=O)NO)c1C 306480544 KPMWNUJYHVKZTC-UHFFFAOYSA-N 202.235 0.032 30 20 BCED C=C[C@@H](C(=O)OC)N1CCCN(CC)CC1 307818828 NIKZTADZNXMJBK-NSHDSACASA-N 226.320 0.742 30 20 BCED C[C@H](C#N)OCCNC(C)(C)C(=O)O 308580003 JJTQKIQCTQNTAG-SSDOTTSWSA-N 200.238 0.368 30 20 BCED Nc1nc(Cl)cc(NN=Cc2cc[nH]n2)n1 309617313 ODSPNLFBOQORTG-UHFFFAOYSA-N 237.654 0.881 30 20 BCED CON(C)C[C@H](O)COc1ccccc1C#N 310550204 WFCHJUNSPGOXMP-NSHDSACASA-N 236.271 0.791 30 20 BCED C=CCC[C@@H](CO)NCc1cncn1C 320458515 KYERXGXBEPJCGA-JTQLQIEISA-N 209.293 0.837 30 20 BCED N#C[C@@H]1COCCN1C(=O)[C@H]1CCCC(O)=N1 328777333 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BCED CN(C(=O)[C@H]1CCCCO1)C1CN(CC#N)C1 1042622536 QSAJCKWYHFROGJ-LLVKDONJSA-N 237.303 0.222 30 20 BCED C[C@@H](C#N)C(=O)NCCN[C@H](C)c1ncccn1 1124901677 BPONBHGWWAERIE-VHSXEESVSA-N 247.302 0.403 30 20 BCED C#CCN1CCC(C(=O)N[C@@H](C)COC)CC1 882641603 MTWOHZAJBTWARV-NSHDSACASA-N 238.331 0.483 30 20 BCED CNC[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 884006447 RIZLANXCHBDCAD-JTQLQIEISA-N 246.314 0.958 30 20 BCED C#CCCCNC(=O)N[C@@H](C)C[C@@H](C)O 783236763 FJCWTPDOYWPDQX-VHSXEESVSA-N 212.293 0.858 30 20 BCED C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1 884274618 QLVPGIPPWRAFGM-RKDXNWHRSA-N 232.287 0.757 30 20 BCED COCCn1cc(C(=O)OC(C)(C)C#N)nn1 1122804353 QCUZWXMPFHZVDQ-UHFFFAOYSA-N 238.247 0.383 30 20 BCED CCN1C[C@@H]2C(NC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 958504300 BQGZSYYPMJWOTF-UWVGGRQHSA-N 244.298 0.566 30 20 BCED C#CCSCC(=O)Nc1ccc(=O)n(C)c1 888338227 PZFVURTVEUYWLX-UHFFFAOYSA-N 236.296 0.690 30 20 BCED C#CCN[C@H](C)C[C@@H](C)NC(=O)CCN(C)C 1135378006 GQJABJGLMNCROE-VXGBXAGGSA-N 239.363 0.444 30 20 BCED 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30 20 BCED CC#CCN(C)C(=O)NC[C@H]1CCOC1 1346126691 ASYHJXPIEWTXJT-SNVBAGLBSA-N 210.277 0.688 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H]1C[C@@H](N)C12CCC2 1341553078 PFOLTYDGYNFYSX-YWVKMMECSA-N 224.304 0.310 30 20 BCED C#CCCNC(=O)NCc1cc(C(=O)O)co1 1588453629 IMTPHIIWPBCCFN-UHFFFAOYSA-N 236.227 0.800 30 20 BCED COCC#CC(=O)NC[C@@H](O)c1cccc(C)c1 1347698510 GERNZPNRVMHGJE-CYBMUJFWSA-N 247.294 0.794 30 20 BCED C#C[C@@H](C)OC(=O)C[C@H]1CCC(=O)NC1 1347285476 BTLDRCYJDZCLIV-RKDXNWHRSA-N 209.245 0.468 30 20 BCED C=C(CN(C)C)C(=O)NCCc1nccn1C 1350548702 APPNHYRXYMKBSM-UHFFFAOYSA-N 236.319 0.197 30 20 BCED C#C[C@H](C)N(C)c1nnnn1CC(C)C 1354290913 CRHVWOKZTBLXAL-VIFPVBQESA-N 207.281 0.787 30 20 BCED CC[C@H](NC[C@@H](O)CC(C)(C)C#N)C(=O)NC 1353313355 WQAKOWOANBECTF-UWVGGRQHSA-N 241.335 0.401 30 20 BCED CC[C@H](C#N)OC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1357935863 QUNSTFNQDFISKG-ZRUFSTJUSA-N 239.271 0.883 30 20 BCED C=C(Cl)CN(C)[C@H](C)CNC(=O)COC 1282346977 YENWMRBSVFIPAS-SECBINFHSA-N 234.727 0.822 30 20 BCED C=C(CC)C(=O)NCCNC(=O)c1cccnc1 1518915604 ZGNKRQBNLKVDKR-UHFFFAOYSA-N 247.298 0.894 30 20 BCED C#CCONc1nc(C)cc(C(=O)O)n1 307313828 HTOJMBUEMMOGIX-UHFFFAOYSA-N 207.189 0.460 30 20 BCED C=CC(C)(C)C(=O)N1CC(O)(c2nccn2C)C1 1521834846 CRGLJDGGOMGEEK-UHFFFAOYSA-N 249.314 0.662 30 20 BCED C#CCNC(=S)NC[C@@H](CC(C)C)C(=O)O 1602702107 JFAUDAQZHTUQLF-SECBINFHSA-N 242.344 0.831 30 20 BCED N#CCN(CCC(=O)O)C(=O)/C=C\c1ccc[nH]1 1601070122 JOPHZPOUUDYVFN-ARJAWSKDSA-N 247.254 0.855 30 20 BCED C=C[C@@H](C(=O)O)n1cc(CN2CCCC2)nn1 1602805564 BILLWDRHARATCI-JTQLQIEISA-N 236.275 0.686 30 20 BCED C=C[C@@H](C)ON=C(C)c1cn(CC(=O)O)nn1 1602813119 RTZOHKMNOOJMAE-SSDOTTSWSA-N 238.247 0.678 30 20 BCED CC[C@H](C(=O)O)N1C[C@H](C)N(CC#N)[C@H](C)C1 1603503322 HUYOLBRIULOLQZ-OUAUKWLOSA-N 239.319 0.768 30 20 BCED C#CC[C@@H](NC(=O)OC[C@@H]1CCCO1)C(=O)O 1602692470 NMHUVCMGGLRSAA-DTWKUNHWSA-N 241.243 0.368 30 20 BCED C=C(Cl)COC(=O)[C@@H]1CCS(=O)(=O)C1 804991480 TYMQVZYOTYXARY-SSDOTTSWSA-N 238.692 0.717 30 20 BCED C=CCN1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 1010344546 NVSSQFAGXPAKJV-WDEREUQCSA-N 224.304 0.399 30 20 BCED C#CCN[C@H]1CCN(C(=O)C2(CF)CCC2)C1 1019404342 JSTLWUXUUOHREH-NSHDSACASA-N 238.306 0.950 30 20 BCED C#CCCN1CC(CNC(=O)c2ccsn2)C1 1031759865 KYUJXNQXZGDYOF-UHFFFAOYSA-N 249.339 0.828 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1C[C@H](NC(=O)C2CC2)C1 1703898043 MJXSFSRMXNJLKU-SZEHBUNVSA-N 235.287 0.319 30 20 BCED CC[C@](C)(C#N)NC(=O)COCCOC 112888906 FMEJUUGLZHCDEJ-SNVBAGLBSA-N 214.265 0.458 30 20 BCED CC(C)C(=O)NC[C@H](C)CNC(=O)[C@H](C)C#N 1704759393 RZTJAWBQMGLEPH-VHSXEESVSA-N 239.319 0.671 30 20 BCED C[C@@H](C#N)C(=O)N(C)C1CCN(CCO)CC1 1713051296 GKMBIFZDUNKUSN-JTQLQIEISA-N 239.319 0.061 30 20 BCED Cc1nc(C(=O)N2CC(C#N)C2)ccc1C#N 1117768405 WWGVVWOZHWQXHN-UHFFFAOYSA-N 226.239 0.857 30 20 BCED Cc1nc([C@@H]2CCN(C(=O)CC#N)C2)n[nH]1 1639290133 BDKICWHTTRRYFT-MRVPVSSYSA-N 219.248 0.343 30 20 BCED C[C@@H](C#N)CNC(=O)N[C@H]1CC[C@H](CN)CC1 1575051777 SOZSAAVWDBQDEH-DCAQKATOSA-N 238.335 0.963 30 20 BCED C[C@@H]1CN(C[C@@H](O)CC2(C#N)CC2)C[C@H]1CN 1579439976 GXEUUPJPUAEVLK-UTUOFQBUSA-N 237.347 0.568 30 20 BCED C[C@@H](N)CNC(=O)Nc1ccc(C#N)cn1 1576160178 ZTHFCYXRZDAUHJ-SSDOTTSWSA-N 219.248 0.422 30 20 BCED C#C[C@H]1CC[C@H](NC(=O)[C@]2(F)CCNC2)CC1 1573306820 ODRDUNPXBULYPR-GVXVVHGQSA-N 238.306 0.996 30 20 BCED C#CCOCCN(C)C(=O)[C@H](N)CC(=C)C 1574067450 SDQRVXZFRCJFII-LLVKDONJSA-N 224.304 0.388 30 20 BCED C=C(Cl)C[C@@H](N)C(=O)Nc1cnnn1C 1574066914 DLTCTQXYIMEKEP-ZCFIWIBFSA-N 229.671 0.224 30 20 BCED CC(C)(C)C#CC(=O)Nc1cnn(CC(=O)O)c1 1588624919 BHVNWANCUVLKCU-UHFFFAOYSA-N 249.270 0.956 30 20 BCED CC#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1588925094 KYKJAIMHIMJEEG-IAZYJMLFSA-N 235.283 0.969 30 20 BCED N#Cc1ccnc(CN2CCC[C@H](N)C2)c1 1580080829 IGYNTGHTGIZIIR-NSHDSACASA-N 216.288 0.876 30 20 BCED C[C@@H](C#N)CNC(=O)c1cnc(C(=O)O)cn1 1588542939 FVAKAYBRAXDSJQ-LURJTMIESA-N 234.215 0.064 30 20 BCED C=C1CN(c2cc(-c3nn[nH]n3)cc(C)n2)C1 1588463000 WDVVNHAIJWRCCG-UHFFFAOYSA-N 228.259 0.946 30 20 BCED C=C[C@H](CC)CC(=O)N1C[C@H](O)C[C@H]1C(=O)O 1588691366 ZAFAMJAGFPRSAW-BBBLOLIVSA-N 241.287 0.635 30 20 BCED C=C(CCC(=O)O)C(=O)NCC(C)(C)OC 1588623722 VOCUMEADXPOTAU-UHFFFAOYSA-N 229.276 0.949 30 20 BCED CC#CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)O 1588926367 UNHKMEPMNTYRBE-KCJUWKMLSA-N 207.229 0.475 30 20 BCED C#CC(=O)N1CCCC12CN(C(=O)C1CC1)C2 1845960790 NCNDDCKXBMVLSD-UHFFFAOYSA-N 232.283 0.233 30 20 BCED C#CCNC1(CNC(=O)c2cocn2)CCC1 1754978747 QPVILCZUIWAHFF-UHFFFAOYSA-N 233.271 0.550 30 20 BCED COCC#CCN(C)C[C@@H](C)NC(=O)C(C)C 1754302306 FDAWBSINKUXHJK-GFCCVEGCSA-N 240.347 0.729 30 20 BCED CC[C@@H](CN1CC(NC(=O)[C@@H](C)C#N)C1)OC 1665113139 OWLCIIBEJXYSQM-ONGXEEELSA-N 239.319 0.371 30 20 BCED C[C@@H]1C[C@@]1(C(=O)O)C(=O)N[C@H](C#N)C1CC1 1594224930 UAOCIEYGQJTDQA-HLEGCSNESA-N 222.244 0.516 30 20 BCED C#CCN[C@H](C)[C@@H](C)NC(=O)c1cncs1 1755228435 OSJMQRQPBHCXGE-RKDXNWHRSA-N 237.328 0.873 30 20 BCED C#CCCNC[C@H]1CCN(C(=O)c2cn[nH]c2)C1 1752929985 AFQAKPRAAFVTAK-LLVKDONJSA-N 246.314 0.485 30 20 BCED Cn1[nH]ccc1=NN=Cc1cccn1CC(=O)O 1594512867 BXVGHJKKXYJLGH-UHFFFAOYSA-N 247.258 0.174 30 20 BCED C=C(C)CCC(=O)NCC1CN(CC#N)C1 1753404702 PEKLNEQNHYDPET-UHFFFAOYSA-N 221.304 0.914 30 20 BCED C[C@H]1CC[C@@H](CN(CC#N)CC(=O)O)O1 1594305095 HGVDVAYYHTWGEO-IUCAKERBSA-N 212.249 0.464 30 20 BCED Cc1c(C(=O)O)cc(C=Nn2ccnn2)n1C 1599984123 BDWHEFZBQCNELV-UHFFFAOYSA-N 233.231 0.505 30 20 BCED CC#CCCNS(=O)(=O)N(CC)CC 163387514 FPOFXTOIRFOQKP-UHFFFAOYSA-N 218.322 0.576 30 20 BCED CN(CC#N)C(=O)CNc1cccc(C#N)c1 155891071 KUNHGNGCOOTEJH-UHFFFAOYSA-N 228.255 0.952 30 20 BCED C=CCCCCCN(C)C(=O)Cn1cnnn1 156880402 VDKRSTBVKFHTNW-UHFFFAOYSA-N 237.307 0.878 30 20 BCED O/C(=N/C1CC1)c1cn2c(n1)CNCC2 328579628 SLLIFWFLHRGYOY-UHFFFAOYSA-N 206.249 0.453 30 20 BCED N#CCNC(=O)COc1ccccc1C=O 20030937 HABQXWKFNPMCCX-UHFFFAOYSA-N 218.212 0.518 30 20 BCED CC[C@H](C#N)C(=O)N(C)CCC(=O)NC 233995254 CMYLUUBFEFVYMD-MRVPVSSYSA-N 211.265 0.131 30 20 BCED C[C@H](C#N)OCCN(CCO)C1CCOCC1 801946600 LBYSUAOWMJNGIU-LLVKDONJSA-N 242.319 0.388 30 20 BCED CCn1ccnc1C(=O)N[C@H]1C[C@@H](NCC#N)C1 1022022248 KXNYHKFKDWTMMT-AOOOYVTPSA-N 247.302 0.277 30 20 BCED C=CCN1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 1032897093 TZDHTYZGCIZQSE-LBPRGKRZSA-N 248.330 0.752 30 20 BCED CC#CCN1CC[C@@H](N(CC)C(C)=O)C1 1033722937 NETGXIDHQRXRIN-GFCCVEGCSA-N 208.305 0.952 30 20 BCED CC[C@](C)(O)C/N=C(\N)N1CCCCC1 170912780 ZXRJYPAWYKWHGI-NSHDSACASA-N 213.325 0.948 30 20 BCED N#Cc1ccnc(N[C@@H]2COC(=O)C2)c1[N+](=O)[O-] 848709068 JROITPKYOFHYPE-ZETCQYMHSA-N 248.198 0.589 30 20 BCED COC1(C)CN(C(=O)C2(C#N)CCC2)C1 334481372 WHVLBNFQIOVRLH-UHFFFAOYSA-N 208.261 0.928 30 20 BCED Cc1coc(C(=O)N2CCOC[C@@H]2C#N)c1 259739182 FZGAFXBOIXDHEP-VIFPVBQESA-N 220.228 0.953 30 20 BCED COC(=O)[C@H]1C[C@H]1C(=O)N(CCC#N)CCC#N 263892431 LSFFYWIHMYYWBV-ZJUUUORDSA-N 249.270 0.451 30 20 BCED C=C[C@H](CO)Nc1ccc(C(=O)N(C)C)nn1 664605465 OSGKZMJNRXIZEL-MRVPVSSYSA-N 236.275 0.137 30 20 BCED CC[C@H]1C(=O)NCCN1c1ccc(C#N)nn1 301891990 VEXYXPVRBVUPSP-VIFPVBQESA-N 231.259 0.063 30 20 BCED CCCCN(CCO)c1cncc(C#N)n1 401461585 HDROAYVPBNPHMB-UHFFFAOYSA-N 220.276 0.947 30 20 BCED C=C(Cl)C[S@@](=O)Cc1ncnn1C 308405654 LLJAXSFEMPNLQU-CYBMUJFWSA-N 219.697 0.816 30 20 BCED C=CCNC(=O)CNCc1cc(C)n[nH]1 309033057 GGNUULKJPPRFCA-UHFFFAOYSA-N 208.265 0.110 30 20 BCED C=CC[C@H](CO)CNCc1cc(C)n[nH]1 309189316 PKNLBPQLTGXHDX-JTQLQIEISA-N 209.293 0.992 30 20 BCED C=CCNC(=O)CNCc1cc(C)ns1 404410830 IUDVJZXHCTYRSN-UHFFFAOYSA-N 225.317 0.843 30 20 BCED C=CCC[C@H](CO)NC(=O)c1cnccn1 321071503 GCRHHVGAOSZDRL-SECBINFHSA-N 221.260 0.534 30 20 BCED CNC(=O)C[C@H](C)Nc1ncncc1C#N 322834255 KGJRDEDQFGUARD-ZETCQYMHSA-N 219.248 0.285 30 20 BCED CCCNS(=O)(=O)N(CCC#N)CCC#N 332436423 CZTLIMANCGEZQQ-UHFFFAOYSA-N 244.320 0.360 30 20 BCED C=C(C)Cn1cnc2c(c1=O)CCNCC2 335455036 MNGDKVXRDAPHGK-UHFFFAOYSA-N 219.288 0.508 30 20 BCED C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1CO 335830226 YKBGGJQLLNTYFB-ZJUUUORDSA-N 222.288 0.767 30 20 BCED CNC(=O)CCCNc1cccnc1C#N 336765503 OCEBQSBNMQWOQX-UHFFFAOYSA-N 218.260 0.891 30 20 BCED C=CCOCCN1CC[C@@H](CS(C)(=O)=O)C1 339209284 LSJSDLDIIFLKAJ-LLVKDONJSA-N 247.360 0.556 30 20 BCED CCOC[C@H](O)CNC(=O)c1ccnc(C#N)c1 356463002 HYVFXULXYYQBJP-LLVKDONJSA-N 249.270 0.080 30 20 BCED Cn1cnc(NC(=O)c2ccc(C#N)cc2)n1 356447724 VLBZTTSBSPDQJU-UHFFFAOYSA-N 227.227 0.939 30 20 BCED C=CCN1CC[C@@H](CN2CCOCC2)C1 363566063 MCHZWAFVCZEPBP-GFCCVEGCSA-N 210.321 0.827 30 20 BCED C#CCN(C(=O)[C@@H]1COCCO1)C1CC1 491632831 SYXFKMITKQHXMG-JTQLQIEISA-N 209.245 0.026 30 20 BCED CC[C@@H](C#N)C(=O)NCC1([S@](C)=O)CC1 380010517 GWESXQCECSZIAB-AYVTZFPOSA-N 228.317 0.563 30 20 BCED CN1CCN(c2nccnc2C#N)CCC1=O 596493955 RZACWIJQEXHTOM-UHFFFAOYSA-N 231.259 0.017 30 20 BCED C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 1015821346 UOZWPRJASYARQN-RWMBFGLXSA-N 232.327 0.856 30 20 BCED C#CCOCCNC(C)(C)CN1CCOCC1 852172683 MISKGJRVLPIIOY-UHFFFAOYSA-N 240.347 0.337 30 20 BCED C#C[C@@H](C)N(C)C[C@@H](O)CN1CCCC1 769961858 OENTUYRNSWAZJM-VXGBXAGGSA-N 210.321 0.397 30 20 BCED C#CC1(O)CN(C(=O)[C@@H]2Cc3ccccc32)C1 890523755 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Cc1nc(C(=O)NC[C@H]2C[C@H](N)C2)ccc1C#N 715107701 AWLKZIKDPYVYFE-HOMQSWHASA-N 244.298 0.729 30 20 BCED CC1(CCNc2cncc(C#N)n2)OCCO1 715991648 PNIBBJSZYVVILV-UHFFFAOYSA-N 234.259 0.913 30 20 BCED C=C[C@@H](C(=O)OC)N1[C@H]2CC[C@@H]1CCN(C)C2 717491866 JRQKYYDETJLNIZ-WOPDTQHZSA-N 238.331 0.883 30 20 BCED C#CC[C@H](CO)NC[C@H](O)c1ccccc1F 717785010 AKDDCAWZKUETOT-MFKMUULPSA-N 237.274 0.833 30 20 BCED C#CCC[C@H](O)CNC(=O)c1cnsn1 717845390 XNYWRYLLLIUNLQ-ZETCQYMHSA-N 225.273 0.042 30 20 BCED C#CCN1CCN(C(=O)C2(C)CCC2)CC1 720721418 BCAOALSEWZTKSF-UHFFFAOYSA-N 220.316 0.954 30 20 BCED C#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2)nc1 728864921 SDUWCZCKZZNNRI-SNVBAGLBSA-N 243.266 0.023 30 20 BCED C[C@@H](C#N)C(=O)NC[C@@H](O)c1ccco1 736668674 AUDGDYSXGFOQTI-JGVFFNPUSA-N 208.217 0.589 30 20 BCED C=CCCO[C@H](C)C(=O)NOCCOC 748772999 UFTPITRJUWGTLW-SECBINFHSA-N 217.265 0.662 30 20 BCED CC#CCOC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751672608 HEFJAKJHDWETFN-SECBINFHSA-N 247.254 0.329 30 20 BCED CN(C[C@@H]1CCOC1)Cn1cccc(C#N)c1=O 758228881 CPCQBRODSFJUIZ-NSHDSACASA-N 247.298 0.646 30 20 BCED CC(CS(C)(=O)=O)=NNc1cnn(C)c1 761866010 GLYYZUXTZPIVFK-UHFFFAOYSA-N 230.293 0.253 30 20 BCED C#CCCc1noc([C@@H]2CC(=O)N(CC)C2)n1 761998516 BOGFGIQRKWVBJF-SECBINFHSA-N 233.271 0.971 30 20 BCED CCN(CC)CC(=O)N=C1C[C@H](C)ON1 763257129 AJCQSICZYFTVDC-QMMMGPOBSA-N 213.281 0.567 30 20 BCED C#CCN(CC[C@H]1CCS(=O)(=O)C1)C1CC1 763951253 SNOSTFJAJSYQEQ-NSHDSACASA-N 241.356 0.909 30 20 BCED CC[C@@]1(C)CC(=O)N(CN(C)CC#N)C1=O 767968065 FEKSHQZYHIDRPL-NSHDSACASA-N 223.276 0.574 30 20 BCED CCOc1cccc(C=Nn2cnnc2O)n1 770615617 QDYCCCXCXIXYNC-UHFFFAOYSA-N 233.231 0.660 30 20 BCED CON(C)CCNC(=O)c1cccc(C#N)c1 773165334 REOBVBIOXLQGLD-UHFFFAOYSA-N 233.271 0.781 30 20 BCED CON=CC(=O)NC[C@H](CCO)CC(C)C 774043901 OOYGPUQODFAHRK-SNVBAGLBSA-N 230.308 0.780 30 20 BCED CON=CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 774068663 MHTMTOSVYJLSKI-JMJZKYOTSA-N 238.287 0.692 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1ccnn1CC 775029683 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233.271 0.312 30 20 BCED CCCCC[C@@H](O)C(=O)N1CCOC[C@@H]1C#N 826542634 AAUOOOFTHGXXDT-WDEREUQCSA-N 240.303 0.679 30 20 BCED C#Cc1cnc(NC[C@@H](O)C2CC2)nc1 827556744 BYNRFCVQKJPDEM-SNVBAGLBSA-N 203.245 0.641 30 20 BCED C#Cc1cnc(N2CCNC(=O)[C@@H]2CC)nc1 827725793 QVFBANGZXCKMPL-JTQLQIEISA-N 230.271 0.173 30 20 BCED C#C[C@@H](NS(=O)(=O)NCC)c1ccccc1 827906206 IWIVBSFRANTWDZ-LLVKDONJSA-N 238.312 0.805 30 20 BCED Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)ccc1N 834485122 RYDCECDVEJYNNH-PWSUYJOCSA-N 244.298 0.419 30 20 BCED C#CCO[C@@H](C)C(=O)O[C@@H](C#C)C1CC1 835252544 PTNZPJHITLLXII-ONGXEEELSA-N 206.241 0.980 30 20 BCED C=CCONC(=O)N1CCN(CC2CC2)CC1 838704496 SDQKMHUSAFEKMV-UHFFFAOYSA-N 239.319 0.841 30 20 BCED C#C[C@@H](NCc1cnn(CC)n1)[C@H]1CCCO1 839014356 BOLGISSMLGIBSD-VXGBXAGGSA-N 234.303 0.568 30 20 BCED C=CCC[C@H](CO)NC(=S)NCC=C 840825275 VCUNRFOYMNFYFY-SECBINFHSA-N 214.334 0.964 30 20 BCED C#C[C@@H](NC(=O)NCC(C)(C)N)[C@@H]1CCCO1 841881794 UXVKXIWGXDFTBL-ZJUUUORDSA-N 239.319 0.204 30 20 BCED C=CCON1C(=O)[C@H]2CCCCN2C1=O 842253627 AFORAKGKJOMERD-MRVPVSSYSA-N 210.233 0.921 30 20 BCED C[C@@H](CO)N(C)N=C1CCCc2nn(C)cc21 842540363 KCGVSCJQPNRYHM-VIFPVBQESA-N 236.319 0.773 30 20 BCED N#CCCN[C@H]1COc2ccccc2[C@@H]1O 843118451 ZFFMBQSDADDYHD-JQWIXIFHSA-N 218.256 0.984 30 20 BCED C#CCO[C@H](C)C(=O)N1CCC(C#C)CC1 843699500 RACBCNCSIJJEMO-LLVKDONJSA-N 219.284 0.897 30 20 BCED N#CC[C@@]1(O)CCN(C(=O)/C=C/c2ccc[nH]2)C1 844019510 RYORPCUNQJNBOG-ITDFMYJTSA-N 245.282 0.905 30 20 BCED C=C[C@H](C)ONC(=O)NCC(=O)NC(C)C 844284237 BMXDZPWPVGQBSV-QMMMGPOBSA-N 229.280 0.316 30 20 BCED C=C(CO)C(=O)N1C[C@@H](CC)OC[C@H]1C 846431601 GMXHYSMUTWDLNZ-NXEZZACHSA-N 213.277 0.561 30 20 BCED CON=CC(=O)NC[C@@H](CC1CC1)C(=O)OC 846457467 GBYPMMGCACAMAT-SECBINFHSA-N 242.275 0.324 30 20 BCED C=C(C)CONC(=O)CN1CCCNC1=O 846537669 JGIUFAXXGSYVRV-UHFFFAOYSA-N 227.264 0.026 30 20 BCED C=C(CN(C)C)C(=O)Nc1ncc(C)[nH]1 847571683 FELWMSVKMOIXPF-UHFFFAOYSA-N 208.265 0.774 30 20 BCED N#Cc1nc(=N[C@@H](CCO)C2CC2)cc[nH]1 848669092 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875544944 IXCQPDXGZOWHHX-UHFFFAOYSA-N 239.319 0.826 30 20 BCED CCNCc1cn(CCO[C@@H](C)C#N)nn1 881324537 WUUWYAYSCMJLCS-VIFPVBQESA-N 223.280 0.316 30 20 BCED Cc1ccc(N[C@H]2CNC(=O)C2)c(C#N)n1 882166080 JTLMBOCXEAILRO-MRVPVSSYSA-N 216.244 0.562 30 20 BCED C#CCSCC(=O)N[C@@H](C(=O)OC)C1CC1 889306767 LMCCPBZCSCAKRU-SNVBAGLBSA-N 241.312 0.421 30 20 BCED CON=CC(=O)NCCOC1CCSCC1 891224446 IRPRKSQGOKAUJG-UHFFFAOYSA-N 246.332 0.647 30 20 BCED CC(=O)NCCNc1cc(C)cc(C#N)n1 891489607 KMZAQALPPAEHIM-UHFFFAOYSA-N 218.260 0.810 30 20 BCED C#CCSCC(=O)NOCCOC(C)C 897817915 ZIYRUPCSWGQDDF-UHFFFAOYSA-N 231.317 0.826 30 20 BCED C=C1CN(C(=O)c2cnn(CCCOC)c2)C1 898705431 HPMNOLBOFNPIQV-UHFFFAOYSA-N 235.287 0.932 30 20 BCED C#CCNC(=O)CNc1cnn(CC)c1 902072622 RLHZSQRHEMNXIZ-UHFFFAOYSA-N 206.249 0.064 30 20 BCED C=CCS(=O)(=O)c1nnc(N)n1C1CC1 905256772 FEGAYEZBNGERII-UHFFFAOYSA-N 228.277 0.155 30 20 BCED C[C@@H](C#N)C(=O)NOCc1ccccn1 909531344 FSZIIMSEHGRVMV-QMMMGPOBSA-N 205.217 0.789 30 20 BCED C#CC[C@H](NC(=O)C[C@H]1CCCOC1)C(=O)O 910051165 FYRUBZDCXGDKCV-ZJUUUORDSA-N 239.271 0.396 30 20 BCED C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1CN 911851738 JCADCQQBIMTMOR-MNOVXSKESA-N 225.336 0.620 30 20 BCED C=C[C@@H](O)C(=O)NCC=C(Cl)Cl 911965268 RHQZAMGSMZLREO-RXMQYKEDSA-N 210.060 0.969 30 20 BCED CN(C)CC#CCNC(=O)Cc1cscn1 913524487 OIBCSADATPCWAM-UHFFFAOYSA-N 237.328 0.367 30 20 BCED C#CC[C@H](CO)NC(=O)NCc1cccs1 913827127 RCIBEDUVPXBFOB-SECBINFHSA-N 238.312 0.932 30 20 BCED N#Cc1ccc(COC(=O)c2nonc2N)cc1 920770050 MRHHRUAQHPGKEE-UHFFFAOYSA-N 244.210 0.880 30 20 BCED C#CCOCCOC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21 923568004 DCWKRGJANYJZEP-FBIMIBRVSA-N 222.240 0.405 30 20 BCED CC1CC(CNC(=O)NCC#CCO)C1 923765153 SYMYIMZSPUNIPG-UHFFFAOYSA-N 210.277 0.327 30 20 BCED CCOC(=O)N1CSC[C@@H]1C(=O)OCC#N 924501373 ZJGXDAHJMCUFFL-SSDOTTSWSA-N 244.272 0.585 30 20 BCED C#CCCN(CCOC)CC[N+](=O)[O-] 931072329 ZHPOSXUOQKEQFX-UHFFFAOYSA-N 200.238 0.235 30 20 BCED N#C[C@H]1CCCN(CC(=O)Nc2ccon2)C1 932164116 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30 20 BCED C#CC[C@@H](OC(=O)CCNC(=O)NC)C1CC1 796947524 CLGUNMGNEYVLRV-SNVBAGLBSA-N 238.287 0.651 30 20 BCED C=CCNC(=O)COC(=O)c1ccco1 797703525 DSCAJIMMISAXND-UHFFFAOYSA-N 209.201 0.739 30 20 BCED C#Cc1cncc(C(=O)N2CCC[C@@H](CO)C2)c1 798158976 GDYDEHPUNROYSQ-GFCCVEGCSA-N 244.294 0.907 30 20 BCED C#CCC[C@@H](O)CNC(=O)C1(C)CCOCC1 799073966 XIEFBLCWHVYOQT-LLVKDONJSA-N 239.315 0.694 30 20 BCED C#CC(=O)Nc1cc(CCOC)ccn1 804390019 TZXDOYAYEBJOSM-UHFFFAOYSA-N 204.229 0.842 30 20 BCED C#Cc1cncc(C(=O)N2C[C@@H](O)C(C)(C)C2)c1 807444783 NZYBWVJGVHCKON-GFCCVEGCSA-N 244.294 0.906 30 20 BCED CON=CC(=O)NCC1([C@H](O)C(C)C)CC1 809749805 RSIGQPWXNXWVDE-SNVBAGLBSA-N 228.292 0.532 30 20 BCED C=C[C@H](O)C(=O)OCC[C@@H]1CCCO1 814541308 MVTYPHMDOAKWCD-IUCAKERBSA-N 200.234 0.646 30 20 BCED C=C[C@@H](O)C(=O)OCC(=O)N(C)c1ccccc1 814543939 DLLQVJGZGDIDAO-LLVKDONJSA-N 249.266 0.740 30 20 BCED CC(C)OC1CC(=NNCCS(C)(=O)=O)C1 814847861 HWYKXXGOBOCPAW-UHFFFAOYSA-N 248.348 0.564 30 20 BCED O=C(O)CNN=Cc1ccnn1-c1ccccc1 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223.272 0.878 30 20 BCED CON=Cc1c(C)nn(C)c1N1CCOCC1 755634691 ONJDNBDFPRJJTR-UHFFFAOYSA-N 238.291 0.545 30 20 BCED C[C@H](CO)NN=Cc1nc2ccccc2n1C 755758416 PYUZYYURMTWNFR-SECBINFHSA-N 232.287 0.878 30 20 BCED C#CCNC(=S)N1CCC(OCC)CC1 758211326 XUKVQSFOBDXKJU-UHFFFAOYSA-N 226.345 0.995 30 20 BCED C#CCCc1noc(CCC(=O)NCC)n1 762005791 BIGCKWOLJWYVFW-UHFFFAOYSA-N 221.260 0.704 30 20 BCED C=C(C)COCCNC(=O)NCC[S@](C)=O 762066629 AIDAJJQABVMXFU-INIZCTEOSA-N 248.348 0.257 30 20 BCED CC#CC(=O)N1CC[C@H](CN2CCOCC2)C1 764585113 SDEPUHZXBJXBMD-GFCCVEGCSA-N 236.315 0.190 30 20 BCED C#CC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 767848234 UBJSTWAVNTXIHO-UHFFFAOYSA-N 243.222 0.921 30 20 BCED COCCOC[C@@H]1CCN(C(=O)C=NOC)C1 774009947 VRGFTYFIPDZAQU-SNVBAGLBSA-N 244.291 0.130 30 20 BCED COC[C@@H](C)NN=Cc1ccc(C(N)=O)cc1 777900550 BPZGXSHUYVHPJT-SECBINFHSA-N 235.287 0.744 30 20 BCED C#CCOCCNC(=O)c1cc(OC)ccc1O 784593601 ILRNEBQYYBMCAF-UHFFFAOYSA-N 249.266 0.780 30 20 BCED Cn1nccc1[C@H]1CCCC(=NNC(=N)N)C1 790289692 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C=CCCOCCN[C@H](C)Cn1cncn1 657933572 SOGVZZSPZYIOGH-LLVKDONJSA-N 224.308 0.849 30 20 BCED C=CCCOCCN[C@@H](C)Cn1cncn1 657933573 SOGVZZSPZYIOGH-NSHDSACASA-N 224.308 0.849 30 20 BCED C=C[C@](C)(O)C(=O)NC[C@@H](C)N(C)C1CC1 668095389 IEYFOLSOMWMGRN-SKDRFNHKSA-N 226.320 0.522 30 20 BCED CC(=O)c1ccc(C(F)(F)C(=O)NO)n1C 671994915 GGGXFXXAKIIESA-UHFFFAOYSA-N 232.186 0.825 30 20 BCED C=C(C)CS(=O)(=O)N[C@@H](CO)CC1CC1 684763447 NQSSHEKXFOLLGZ-SNVBAGLBSA-N 233.333 0.643 30 20 BCED C#CC[C@H](NC(=O)[C@@]1(C)CCOC1)C(=O)O 687340265 DXQWTMNVDDBLNC-KWQFWETISA-N 225.244 0.006 30 20 BCED C#CCOCCN(C)C(=O)CCNC(C)(C)C 688029455 ZPKMYQQUTUFXIT-UHFFFAOYSA-N 240.347 0.873 30 20 BCED N#CC1(CN[C@@H]2CCNC(=O)CC2)CC1 691574652 NICFZQZFSYXSBP-VIFPVBQESA-N 207.277 0.548 30 20 BCED C=C1CN(C(=O)N[C@H]2CC=C(C(=O)O)C2)C1 694952870 KTOWLGLBBNBNDD-VIFPVBQESA-N 222.244 0.741 30 20 BCED CC[C@H](NC(=O)c1ccc(C#N)o1)C(=O)NC 697418144 FFDKDFOJSANCQN-QMMMGPOBSA-N 235.243 0.406 30 20 BCED C#CCCCCC(=O)N[C@H]1CCO[C@H]1C(=O)O 702962669 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30 20 BCED C#CCN1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 742671563 WOCIEXUDCOSQHP-VIFPVBQESA-N 248.248 0.962 30 20 BCED C#CCNC(=O)COC(=O)C1(OC)CCCC1 753513116 LKBSVCPCCHJNOR-UHFFFAOYSA-N 239.271 0.238 30 20 BCED CNC(=S)NN=Cc1cnc2ccccn12 755470508 AZQFFASRWNSKPC-UHFFFAOYSA-N 233.300 0.762 30 20 BCED C#CCOCCC(=O)N[C@H](C)CCN(C)C 755902584 HHSDUJXHUPUXOX-LLVKDONJSA-N 226.320 0.483 30 20 BCED C[C@@H]1CN(Cn2cccc(C#N)c2=O)CCCO1 758223647 OTXUUHBOXWKQML-LLVKDONJSA-N 247.298 0.788 30 20 BCED Cn1cc(C=NNc2ncc(F)cn2)cn1 760248329 XXWBIIDCFOZTGU-UHFFFAOYSA-N 220.211 0.795 30 20 BCED C#CCCN1C(=O)N[C@H](CCSC)C1=O 760344017 ZVJZHFXTNHQIAB-MRVPVSSYSA-N 226.301 0.683 30 20 BCED C#CCCCC(=O)NCc1nonc1C 760344232 GRZLQXABRHEJLE-UHFFFAOYSA-N 207.233 0.798 30 20 BCED C[C@H]1CC(=NN2CCN(C)CC2)CN1C 761792687 FWLUWNWJWBECMF-JTQLQIEISA-N 210.325 0.314 30 20 BCED C#CCOCCOC(=O)C[C@@H]1CCCO1 762725470 PVDUXYUSZBSDQO-JTQLQIEISA-N 212.245 0.749 30 20 BCED C#Cc1ccc(C(=O)NC[C@H](O)C(C)C)nc1 771047783 DCYPQOUAVATLNX-LBPRGKRZSA-N 232.283 0.810 30 20 BCED C=CCN(C(=S)NCC(=O)N(C)C)C1CC1 771546212 ZZYDKNGIBIBDIK-UHFFFAOYSA-N 241.360 0.600 30 20 BCED C#C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCO1 772880592 QIHGHMGHVAXAGA-UWVGGRQHSA-N 237.255 0.172 30 20 BCED C#C[C@@H](NC(=O)c1cocn1)[C@@H]1CCCO1 772899935 UTZZRLNDIDUPBX-SCZZXKLOSA-N 220.228 0.585 30 20 BCED C#C[C@H](C)NC(=O)CCCn1cccn1 772967987 BCJCGVBDIBEJTP-JTQLQIEISA-N 205.261 0.801 30 20 BCED C#C[C@@H](C)NC(=O)NCCCCn1ccnc1 773596348 ANERLPNNCBINQS-LLVKDONJSA-N 234.303 0.984 30 20 BCED CON=CC(=O)NC1CCN(CC(C)C)CC1 773928008 GWRARNRHOUWXAB-UHFFFAOYSA-N 241.335 0.855 30 20 BCED COCC#CCOC(=O)[C@H]1CCO[C@H](C)C1 776415173 MMGZUFUTFOOGQV-MNOVXSKESA-N 226.272 0.995 30 20 BCED C#C[C@@H](C)NC(=O)N1CC[C@@H](n2cncn2)C1 776910938 VWDMXGIEMOAOSR-NXEZZACHSA-N 233.275 0.256 30 20 BCED C[C@]1(C#N)CCCN([C@@H]2CCOC2=O)C1 784455023 RVDWHBLUYXGREK-MWLCHTKSSA-N 208.261 0.928 30 20 BCED C[C@@H](C#N)OC(=O)CNc1ccc(C(N)=O)cc1 786278965 OAKJQCNDOMPBTO-QMMMGPOBSA-N 247.254 0.653 30 20 BCED CCC(=NN1CCOCC1)c1cn[nH]c1 788951907 SQGMWRMLRCLFFH-UHFFFAOYSA-N 208.265 0.856 30 20 BCED C#CCn1cc(CNC(=O)[C@@H]2C[C@H]2OCC)cn1 791261824 CUNDDVGQXSNGQU-VXGBXAGGSA-N 247.298 0.558 30 20 BCED N#Cc1ncn(CC/N=C\c2ccccc2O)n1 794675413 AJWBWOCDDSKSRV-ZSOIEALJSA-N 241.254 0.974 30 20 BCED C#CCC[C@@H](O)CNC(=O)Nc1ccnn1C 799226383 WPZQKLOGQDMESW-SECBINFHSA-N 236.275 0.316 30 20 BCED CC#CC(=O)NCc1ccc(OCCOC)nc1 801133014 WSBVUINPBXLKEE-UHFFFAOYSA-N 248.282 0.746 30 20 BCED C[C@H]1CN(CCO[C@H](C)C#N)C[C@H](C)S1=O 801950622 XNDWUIIMTRFPEC-VWYCJHECSA-N 244.360 0.756 30 20 BCED C#CC(=O)Nc1cccc(C(=O)NC(N)=O)c1 802328301 NHDGBPVECJEYEO-UHFFFAOYSA-N 231.211 0.067 30 20 BCED C=CCN1CC(=O)N(Cc2cnn(CC)c2)C1=O 804185530 QHTWEYGLSJYLAO-UHFFFAOYSA-N 248.286 0.853 30 20 BCED C[C@H]1CC(=NC(=O)COCc2cccnc2)NO1 807171310 QKWDNWGELOQPDP-VIFPVBQESA-N 249.270 0.837 30 20 BCED C#CCn1ccnc1C=NN1CCN(C)CC1 807943604 NQWSINJGWCAOBB-UHFFFAOYSA-N 231.303 0.098 30 20 BCED CC#CCOC(=O)CNc1ccccc1C(N)=O 808578518 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COCCON=Cc1ccc(-c2nn[nH]n2)cc1 821692935 KBAYJXMKOCAYRF-UHFFFAOYSA-N 247.258 0.864 30 20 BCED C[C@@H](C#N)C(=O)NC1(CC(=O)O)CCC1 825966416 CALFOCVCXXBWAG-ZETCQYMHSA-N 210.233 0.660 30 20 BCED C#CCOCCNC(=O)CSC1CC1 828327451 BTHAGEZHKHRXPT-UHFFFAOYSA-N 213.302 0.648 30 20 BCED C=CCNC(=O)CNC(=O)[C@@H](O)CCCCC 828656321 USFXBFAOQHBAEX-JTQLQIEISA-N 242.319 0.346 30 20 BCED C=CCONC(=O)N[C@H](C)C[C@@H](C)N 831172706 MITISEIYNAWBGO-HTQZYQBOSA-N 201.270 0.529 30 20 BCED O=C1O[C@H]2C[C@H]1N(C(=O)C#Cc1cccs1)C2 834019872 DOZZTABSFDNCDC-WCBMZHEXSA-N 247.275 0.626 30 20 BCED Cc1ccc(F)c(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834495819 ZWOKMYNGHUGWDX-SKDRFNHKSA-N 247.273 0.976 30 20 BCED N#C[C@H]1CNC[C@@H]1NC(=O)CCc1cccnc1 834511483 LMJNDBIALSXDEF-RYUDHWBXSA-N 244.298 0.242 30 20 BCED C#Cc1cncc(C(=O)NC2CN(C(C)C)C2)c1 837547451 YLILJGKUHGJMAO-UHFFFAOYSA-N 243.310 0.885 30 20 BCED CON=CC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C 839844455 HFFBLCIWOWGLLZ-VGMNWLOBSA-N 214.265 0.548 30 20 BCED Cc1ccnc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 841183692 WUZVNJWGHOZZTC-NXEZZACHSA-N 245.286 0.623 30 20 BCED C#CCOCCNC(=O)N1CCC[C@H]1CNC 841875184 MJHCCDCZLMKJEK-NSHDSACASA-N 239.319 0.030 30 20 BCED CCN(CCO)N=C1C(=O)Nc2c(C)cccc21 842534259 JXPUMBNQBLVUMN-UHFFFAOYSA-N 247.298 0.965 30 20 BCED N#Cc1ccc([C@H](O)CN[C@@H]2CC[C@H]2O)cc1 843113941 CLPOZQBDFCYFCM-JHJVBQTASA-N 232.283 0.705 30 20 BCED C#CC1CCN(C(=O)[C@@H](C)NC(=O)CC)CC1 843699883 BIAMEHCEHXWMSH-SNVBAGLBSA-N 236.315 0.773 30 20 BCED C#CCOCCC(=O)N[C@H](CO)C[C@@H](C)CC 844035790 PECRALVQGHMGMP-RYUDHWBXSA-N 241.331 0.940 30 20 BCED C=C[C@H](C)ONC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 846553579 DRZGJYOEYLGKPG-AEJSXWLSSA-N 240.303 0.900 30 20 BCED CCCCC[C@@H](O)C(=O)NCC#CCO 848041295 ZCLBRRFGAGZBOT-SNVBAGLBSA-N 213.277 0.040 30 20 BCED C#CCCN(CCOC)Cc1ncnn1CC 852749201 SFDIPWQWULJDAP-UHFFFAOYSA-N 236.319 0.770 30 20 BCED C(=Nn1ccnn1)c1ccnn1CC1CC1 853356032 ZHZVQFVWMKNWFR-UHFFFAOYSA-N 216.248 0.767 30 20 BCED C#CC[C@H](CO)NC(=O)c1cccc(C#N)n1 854541409 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1579416858 NNRRILOZGDCPIZ-SKDRFNHKSA-N 247.298 0.225 30 20 BCED N#CCCNC(=O)NCc1cccnc1O 1336581314 LOFXUMRXANZEAU-UHFFFAOYSA-N 220.232 0.500 30 20 BCED C#Cc1ccc(N[C@@H](CCO)COC)nc1 1336527193 DDJLHKXSSCFQHY-NSHDSACASA-N 220.272 0.872 30 20 BCED C=C[C@H](COC)NCc1cn(CC)nn1 1333716691 GDCKJMNHCBGCKS-SECBINFHSA-N 210.281 0.589 30 20 BCED C=CCN(C)c1nnc(CCO)n1CC1CC1 1263743359 WKDCNTIGWRUVHK-UHFFFAOYSA-N 236.319 0.845 30 20 BCED Cc1ccc(C(=O)N2CC[C@](O)(CC#N)C2)nn1 1349455058 ICUBYEGEQXVWAN-GFCCVEGCSA-N 246.270 0.276 30 20 BCED C#CCNCC(=O)N[C@@H](CC)[C@@H]1CCCO1 1342138993 CYQFWBOAGUHQMJ-QWRGUYRKSA-N 224.304 0.283 30 20 BCED Cn1nc(C(=O)NCCCC#N)cc1O 1261737736 WDUXJHBIAKPOSO-UHFFFAOYSA-N 208.221 0.159 30 20 BCED CC(=O)N1CC(C(=O)N2CCC[C@@H](C#N)C2)C1 1262208727 NMAREZRVFJLTCH-JTQLQIEISA-N 235.287 0.227 30 20 BCED C=C[C@](C)(O)C(=O)N(C)Cc1ncccn1 1347985769 ODJPISOHHLOBTJ-NSHDSACASA-N 221.260 0.372 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@H](C)c1cnccn1 1262170580 RNEPJTFUEAQLGG-SKDRFNHKSA-N 248.286 0.625 30 20 BCED N#CCn1cc(NC(=O)CCc2ccon2)cn1 1347388043 ZKQLDRKWPCLEGU-UHFFFAOYSA-N 245.242 0.966 30 20 BCED COCc1nocc1C(=O)N=C1C[C@@H](C)ON1 1261219195 VBPJRALYQRKWRN-ZCFIWIBFSA-N 239.231 0.673 30 20 BCED CO[C@@H](C)CC(=O)N1CCCN(CC#N)CC1 1195209171 DGKZTCOUWJZGCL-NSHDSACASA-N 239.319 0.469 30 20 BCED N#C[C@@H]1CCC[C@@H](OC(=O)Cn2ncnn2)C1 1345871345 BGRQSOYPHJDGLI-RKDXNWHRSA-N 235.247 0.299 30 20 BCED COCC#CC(=O)N[C@@H]1C[C@@H](OC)C12CCC2 1347797254 RVHGTOCHYLCNNY-GHMZBOCLSA-N 237.299 0.710 30 20 BCED CC#CCNC(=O)NC[C@H]1CCCCN1C 1342110536 HJQHEZXXQHYHTQ-LLVKDONJSA-N 223.320 0.793 30 20 BCED C#CCC[C@@H](O)CNC(=O)NCCC(F)F 1346838053 OHWXJMVCTFPWDQ-MRVPVSSYSA-N 234.246 0.715 30 20 BCED N#C[C@H]1CCCN(C(=O)N[C@H]2CCOC2=O)C1 1351368777 KMYWHHSDWBAHLY-BDAKNGLRSA-N 237.259 0.247 30 20 BCED COCC#CC(=O)NC[C@@H](C1CC1)N(C)C 1350603625 WTSQBQQCOYKVRW-NSHDSACASA-N 224.304 0.093 30 20 BCED C=C[C@@H](O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1356145223 NPLUWRJXEJXLTB-UKKRHICBSA-N 207.273 0.862 30 20 BCED C=CCCC[C@H](N)C(=O)N[C@H]1C[C@H](N)C1 1515627583 VJANWLYVJCMIHL-GUBZILKMSA-N 211.309 0.276 30 20 BCED C#CCN1CC(CNC(=O)c2ccnc(C)n2)C1 1032193745 GOUZCJMLJWAFPO-UHFFFAOYSA-N 244.298 0.080 30 20 BCED C#CCC1(OC(=O)c2cc(=O)n(C)cn2)CCC1 1514903864 TVPQUVCICIFPFA-UHFFFAOYSA-N 246.266 0.883 30 20 BCED C=C(C)CN1CC[C@@H]1CNC(=O)c1nc[nH]n1 1038824342 AIMPKJCKXCPJLD-SECBINFHSA-N 235.291 0.185 30 20 BCED C[C@H]1CN(c2c(C#N)cnn2C)C[C@@H](C)N1 1515907700 HGIYEBCOQLTQQI-DTORHVGOSA-N 219.292 0.478 30 20 BCED C#CCN(C)C(=O)NCc1cc(C)cnc1O 1521249611 LSPAVILLTNVXBH-UHFFFAOYSA-N 233.271 0.870 30 20 BCED C=CCNC(=O)[C@H](C)N1CC[C@H](N(C)C)[C@@H]1C 931046387 JILRGDCLTVYARI-SRVKXCTJSA-N 239.363 0.702 30 20 BCED N#CCOc1cc(F)ccc1NC(=O)CO 1525768652 QWABDLYEAKXOFQ-UHFFFAOYSA-N 224.191 0.659 30 20 BCED C=CCN(C1CC1)[C@H]1CCS(=O)(=O)C1 111234726 LFVIYRRRDYGUJZ-JTQLQIEISA-N 215.318 0.824 30 20 BCED CC(=NNCCC(=O)O)c1cc(C)nn1C 1602737288 LFDHNHFIIMVNQB-UHFFFAOYSA-N 224.264 0.517 30 20 BCED C[C@H](O)CN(C)N=C1CC[C@H](C(=O)O)C1 1604387112 RNDUWAXMYVXUTE-YUMQZZPRSA-N 214.265 0.540 30 20 BCED O=C(O)COC(=O)c1cccc(C#CCO)c1 1606268427 SCVMVZPNKWRGJR-UHFFFAOYSA-N 234.207 0.272 30 20 BCED N#CC1(C(=O)O)CCN(C(=O)c2cnc[nH]2)CC1 1608174533 PVHPPYZVDODUOX-UHFFFAOYSA-N 248.242 0.240 30 20 BCED Cn1nncc1NC(=O)Cc1ccc(C#N)cc1 1532223751 RIRPKOZTEXABMQ-UHFFFAOYSA-N 241.254 0.868 30 20 BCED C#CCN(CC)C(=O)c1cc(C(=O)O)ccn1 1602719373 GLNALJDVTALPHM-UHFFFAOYSA-N 232.239 0.875 30 20 BCED C[C@@H](NC(=O)c1ccc(C#N)cc1F)C(N)=O 1556143913 RKNORLKSKLZOQG-ZCFIWIBFSA-N 235.218 0.301 30 20 BCED CS(=O)(=O)[C@H](C#N)C(=O)c1ccncc1 107830866 USHPYCBNWURSFK-MRVPVSSYSA-N 224.241 0.201 30 20 BCED N#CC1(CNC(=O)NCc2ccncn2)CC1 1634805992 PBAQDXCYNZLDCW-UHFFFAOYSA-N 231.259 0.580 30 20 BCED CC(C)(C#N)CNC(=O)CS(=O)(=O)C1CC1 1633828652 GXFGRLSPNBPNDF-UHFFFAOYSA-N 244.316 0.230 30 20 BCED C[C@]1(C#N)CN(C(=O)[C@H]2C[C@@H](N)[C@@H]3C[C@H]23)CCO1 1576329320 FABPSIXNDVZLDI-UGCHFJIKSA-N 249.314 0.111 30 20 BCED COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CC#N)C2 1642420530 PZHPVXHSFKJMKM-OPRDCNLKSA-N 236.271 0.700 30 20 BCED C=C[C@@H](O)C(=O)Nc1cc(C(=O)O)cs1 1573346613 DZUNKPIWWZWXMY-ZCFIWIBFSA-N 227.241 0.932 30 20 BCED C=C(Cl)C[C@@H](N)C(=O)Nc1n[nH]c(CC)n1 1574856810 HHXUQWCYIYDWHB-ZCFIWIBFSA-N 243.698 0.776 30 20 BCED Cc1onc(CC(=O)N2C[C@H](N)C[C@H]2C)c1C#N 1579930447 OCFWSSUKDFJVDO-VXNVDRBHSA-N 248.286 0.345 30 20 BCED CCN(C(=O)c1cc(C(=O)O)n[nH]1)[C@H](C)C#N 1589706594 ZLZFFASDZOIIFL-ZCFIWIBFSA-N 236.231 0.482 30 20 BCED C=C[C@H](C(=O)O)n1cc(CN(C)C(C)=O)nn1 1588672309 RAARNSHGPCOQRB-SECBINFHSA-N 238.247 0.068 30 20 BCED C=C[C@H](NC[C@H]1CC[C@H](C(N)=O)CC1)C(=O)O 1588701805 ZYBHSFFZDBLFNP-GUBZILKMSA-N 240.303 0.507 30 20 BCED C#Cc1ccc(C(=O)NC[C@H](CC)C(=O)O)cn1 1588439544 XLTHQLFCSURHQE-VIFPVBQESA-N 246.266 0.904 30 20 BCED N#Cc1cccc([C@@H](O)CN[C@H](CO)C2CC2)c1 1658137702 KENOSRQNNLUSGW-KGLIPLIRSA-N 246.310 0.952 30 20 BCED C=CC[C@H](Sc1nnc(N)n1C)C(=O)O 1588763676 WAWNWCNUZQPTAV-YFKPBYRVSA-N 228.277 0.519 30 20 BCED CC(C)OCC(=O)N[C@H]1C[C@H](NCC#N)C1 1752621207 YDDOSSFWYGZAQM-MGCOHNPYSA-N 225.292 0.172 30 20 BCED C#CCNC1CC(N(C)C(=O)CCCF)C1 1755860023 PFHAWPNXZFFHHZ-UHFFFAOYSA-N 226.295 0.948 30 20 BCED C[C@@H](CC#N)C(=O)N[C@H](C(=O)O)C1CC1 1592210557 FHFVJVCXONUCQO-XPUUQOCRSA-N 210.233 0.516 30 20 BCED C=CCN[C@@H](CNC(=O)Cc1nc[nH]n1)C1CC1 1752491113 ORRYZYQWMONMDY-JTQLQIEISA-N 249.318 0.018 30 20 BCED C#C[C@@H](N=c1cc[nH]c(C(=O)O)c1)[C@@H]1CCCO1 1776134593 FRVDOEZKXMIGSL-PWSUYJOCSA-N 246.266 0.794 30 20 BCED Cc1nnsc1C(=O)N(C)CCC#N 5239255 DHPXHHRCNFYKSG-UHFFFAOYSA-N 210.262 0.832 30 20 BCED C=CCCS(=O)(=O)N1C[C@H](C)N[C@H](C)C1 123979523 KBHIFTVRMZBCGL-AOOOYVTPSA-N 232.349 0.575 30 20 BCED C=CCN(C)CN1CC(=O)N(CC)C1=O 155052049 SGQWSRBPUFEXQB-UHFFFAOYSA-N 211.265 0.346 30 20 BCED C=CCCOCCNC(=O)CCc1nnc[nH]1 155336581 UNIXDIUWMIPPMF-UHFFFAOYSA-N 238.291 0.446 30 20 BCED C#CCN(CC1CC1)S(=O)(=O)C1CC1 125916235 VJTDWKQCYOTQDJ-UHFFFAOYSA-N 213.302 0.824 30 20 BCED C#CCN1CC[C@@H](NC(=O)c2ccc(OC)o2)C1 1015893326 KAOVACZYBUASTC-SNVBAGLBSA-N 248.282 0.726 30 20 BCED C=CCN[C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 1022587805 NXWBLNSLBLKLMG-PHIMTYICSA-N 235.287 0.640 30 20 BCED CCCN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 1030198766 RZQJJAIEWBJPSO-UHFFFAOYSA-N 232.287 0.710 30 20 BCED C=CCCN1CC(NC(=O)c2nccc(C)n2)C1 1030264891 KOPBXUMMRJJQGP-UHFFFAOYSA-N 246.314 0.775 30 20 BCED C#CCCN1CC(CNC(=O)c2cncn2C)C1 1031819132 LJYBUOZFAHOUAA-UHFFFAOYSA-N 246.314 0.105 30 20 BCED CC#CCN1CC(CNC(=O)c2nocc2C)C1 1032109450 NNKYTGHSJZKIES-UHFFFAOYSA-N 247.298 0.668 30 20 BCED C#CCN1CC[C@H](N(C)C(=O)c2conc2C)C1 1033378333 IDQDIPVTGSFXAC-NSHDSACASA-N 247.298 0.763 30 20 BCED Cn1cnc(CNC(=O)c2ccc(C#N)cn2)c1 1135018989 QOVQUCUJEZOKKY-UHFFFAOYSA-N 241.254 0.617 30 20 BCED C#CCN(C)CCNC(=O)[C@H]1CCO[C@H](C)C1 1753068667 OAUGARJVNYZSEK-NEPJUHHUSA-N 238.331 0.483 30 20 BCED CCOC(=O)[C@@H](C)NCc1cccc(C#N)n1 877471542 UVDFAWZPFKRORN-SECBINFHSA-N 233.271 0.994 30 20 BCED CC[C@H](CC#N)NC(=O)c1cn(C)nc1OC 883967171 HVJASKSTPQRRFH-MRVPVSSYSA-N 236.275 0.851 30 20 BCED C=CCC1(O)CCN(Cc2nccc(N)n2)CC1 886774444 NQTAPANPCZYRKD-UHFFFAOYSA-N 248.330 0.962 30 20 BCED C[C@@H](O)C[C@@H]1COCCN1c1ccc(C#N)cn1 130017795 UPADPPKNZZQFBY-ZYHUDNBSSA-N 247.298 0.929 30 20 BCED Cc1cn(C)nc1C(=O)N1CCO[C@H](C#N)C1 259655378 AFJGHWJATCCKQF-SECBINFHSA-N 234.259 0.093 30 20 BCED CC(C)CC(=O)N1CCN(C(=O)CC#N)CC1 169819940 SGJZYPANWHXREC-UHFFFAOYSA-N 237.303 0.617 30 20 BCED C#CCN(CC#N)C(=O)Cc1c(C)nn(C)c1C 281465792 GERBPWUVURUMIZ-UHFFFAOYSA-N 244.298 0.565 30 20 BCED C=C[C@H](C(=O)OC)N1CC[C@@H]([C@@H](C)O)C1 301046374 OPWFMLNRTCPPMA-OPRDCNLKSA-N 213.277 0.417 30 20 BCED C=C[C@H](N[C@@H](C)c1nncn1C)C(=O)O 301046159 OJEVYXIXJIMVDF-BQBZGAKWSA-N 210.237 0.105 30 20 BCED CN(CCN1CCCC1)c1ccc(C#N)nn1 302005268 SKVNJRDCIBTZDT-UHFFFAOYSA-N 231.303 0.880 30 20 BCED C#CCN(C)CCS(=O)(=O)CCC 192219730 YXVWYAYGUUJLGO-UHFFFAOYSA-N 203.307 0.376 30 20 BCED CCC1(O)CCN(C(=O)[C@H](C)C#N)CC1 346250414 XQSQQTCGHRPRQO-SECBINFHSA-N 210.277 0.910 30 20 BCED Cc1nc(C#N)cc(N2CC[C@H](C(=O)O)[C@@H]2C)n1 308379143 UEMRLIGZZUVKLH-XVKPBYJWSA-N 246.270 0.956 30 20 BCED C=CC[C@@H](NC(=O)[C@@H](C)OCC)C(=O)O 308814178 AANWAUXSRYQZEC-HTQZYQBOSA-N 215.249 0.557 30 20 BCED C[C@H](C[S@@](C)=O)Nc1cc(C#N)ncn1 308818413 PVZYPLVXXUGQSV-KWKYVRJSSA-N 224.289 0.527 30 20 BCED Cc1ccc(C#N)c(N(C)CCOCCO)n1 310061625 JZQCAERYUHTUNC-UHFFFAOYSA-N 235.287 0.707 30 20 BCED CC(C)c1cc(NC(=O)[C@@H](N)CCCC#N)n[nH]1 568979247 AWYHRESWXASQBD-VIFPVBQESA-N 249.318 1.493 30 20 BCED Cc1nc(C(=O)N(C)[C@H]2CCNC2)ccc1C#N 515664561 NWLVGFFDQHCFEX-NSHDSACASA-N 244.298 0.696 30 20 BCED C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C(=O)O 516467351 LUDDFMIJWQDBFV-PSASIEDQSA-N 246.270 0.895 30 20 BCED N#Cc1cccc(CN2C[C@@H](O)[C@H](CO)C2)c1 316005061 AJAHBXRGWRTEHG-QWHCGFSZSA-N 232.283 0.343 30 20 BCED Cn1nnc(CNc2cccc(C#N)n2)n1 336655847 AEJKDFLOHXMWOG-UHFFFAOYSA-N 215.220 0.089 30 20 BCED N#C[C@@H]1CC[C@H](NC[C@@H]2COCCO2)C1 336658048 BCTRIUVGTATJKV-OUAUKWLOSA-N 210.277 0.684 30 20 BCED C=CCCN(C)C[C@@H](O)COCCOC 450817695 GLDIEBNHIYNIKK-LLVKDONJSA-N 217.309 0.518 30 20 BCED C=C[C@H](CO)NC(=O)c1ccc2nccnc2c1 356828310 BVLABZIIFNGJOW-SNVBAGLBSA-N 243.266 0.907 30 20 BCED CCN(CC#CCOC)C[C@@H]1CCOC1 677817759 BDQLTZDJMHQXGI-LBPRGKRZSA-N 211.305 0.995 30 20 BCED CC[C@H](C#N)C(=O)NCCCC(=O)OC 593390155 AQSKMFDUJHMNKK-MRVPVSSYSA-N 212.249 0.606 30 20 BCED C#C[C@@H](NC(=O)[C@@H](C)NC(C)=O)C(C)(C)C 491633807 RWSCDEXETHTMPB-PSASIEDQSA-N 224.304 0.675 30 20 BCED C#C[C@@](C)(CC)NCC(=O)N1CCN(C)CC1 384192592 HTTSSQMYOFZLIE-ZDUSSCGKSA-N 237.347 0.152 30 20 BCED COc1cccc(O)c1C(=O)N1CC(C#N)C1 908398967 LPYZWCJEXZDJDT-UHFFFAOYSA-N 232.239 0.996 30 20 BCED C[C@H](CC#N)NS(=O)(=O)CC(C)(C)C#N 914015783 VVHXSYSSEXLZIZ-MRVPVSSYSA-N 229.305 0.758 30 20 BCED C[C@@H](C#N)C(=O)NC1CCC(C)(O)CC1 749461560 PJXCVPDZGGTBCY-SILCLGDVSA-N 210.277 0.956 30 20 BCED C#CCOCCN1CCC(F)(F)[C@H](CO)C1 852072015 XDNBHYQKMCEKPK-JTQLQIEISA-N 233.258 0.586 30 20 BCED C#CC[C@@H](CO)NC(=O)[C@H](OC)C(C)C 854541275 DWUDVEAGASFSQU-VHSXEESVSA-N 213.277 0.158 30 20 BCED C#CC1(O)CN(C(=O)c2c(F)cccc2OC)C1 890523312 ONQCLWWBORRFSU-UHFFFAOYSA-N 249.241 0.654 30 20 BCED C=CC(C)(C)NC(=O)[C@H]1CC[C@@H](C(=O)O)O1 899855528 XRXRYTLGRAAWEC-SFYZADRCSA-N 227.260 0.699 30 20 BCED N#Cc1ncn(CC(=O)NCc2cccs2)n1 14143318 LJGVEFJZJDATEL-UHFFFAOYSA-N 247.283 0.528 30 20 BCED C#Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1 32900717 GRHFAKWLHMHKJU-NSHDSACASA-N 228.251 0.885 30 20 BCED Cc1cnn(CCC(=O)N(C)CCC#N)c1 37677287 NOHXEWWJTJVTHD-UHFFFAOYSA-N 220.276 0.954 30 20 BCED CCN(CC(=O)NCCCOC)C[C@H](C)C#N 42449787 ROJZQGHROAIGMM-LLVKDONJSA-N 241.335 0.621 30 20 BCED C=CCNC(=O)NC(=O)[C@H](C)N(C)CC(C)C 65961546 GJFZWNJWUACTOT-JTQLQIEISA-N 241.335 0.975 30 20 BCED COC[C@H](O)CNCc1cccc(C#N)c1 70558770 CLCDHVLXQBFVNJ-GFCCVEGCSA-N 220.272 0.655 30 20 BCED Cc1nc(C(=O)NC[C@@H](O)C2CC2)ccc1C#N 71300395 BIJVRIUXYYCXTR-GFCCVEGCSA-N 245.282 0.762 30 20 BCED C#CCNC(=O)N(CCC)CC(=O)NCCC 79428672 BAZOWXBMIPPTIS-UHFFFAOYSA-N 239.319 0.567 30 20 BCED C=CCNC(=O)CN1CCC[C@@H](C#N)C1 79830483 KQVSDCZGHCBARH-JTQLQIEISA-N 207.277 0.524 30 20 BCED C=CCN(CC(=O)O)C(=O)C[C@@H](C)COC 87420776 KKVJETCJOXIMHE-SECBINFHSA-N 229.276 0.758 30 20 BCED C#CCNCC(=O)Nc1cccc(C(=O)O)c1C 92492249 FBGJRUUXBMGZCJ-UHFFFAOYSA-N 246.266 0.855 30 20 BCED C=CCCC(=O)NS(=O)(=O)[C@@H](C)COC 113699640 NXLGURXRUALVJE-QMMMGPOBSA-N 235.305 0.434 30 20 BCED CN/C(N)=N/CC[S@](=O)Cc1ccccc1 117106131 USGUCBYEOKYMFA-MRXNPFEDSA-N 239.344 0.469 30 20 BCED CCN(C[C@H](C)C#N)S(=O)(=O)[C@@H](C)COC 117912191 SWCAAKMITSVXHI-ZJUUUORDSA-N 248.348 0.833 30 20 BCED C[C@@H](C#N)S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 124056363 GSUPLHRBDQGVTE-UTLUCORTSA-N 245.348 0.110 30 20 BCED CC[C@@H](O)CNC(=O)c1ccc(C#N)c(C)n1 126119038 JHCRWYXWHNGNSC-SNVBAGLBSA-N 233.271 0.762 30 20 BCED C=CCCSc1nnc(C)n1CC(N)=O 128833157 NYFSYPBVZJGKJM-UHFFFAOYSA-N 226.305 0.740 30 20 BCED C#C[C@@H](C)NC1CCS(=O)(=O)CC1 135167019 FUPRUHUSJMTPIZ-MRVPVSSYSA-N 201.291 0.175 30 20 BCED C=CCCOCC(=O)NCCCn1cccn1 146917630 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CC[C@H](CC#N)NC(=O)c1cncn1C 234037356 SUBOKUJAKPDSQD-MRVPVSSYSA-N 206.249 0.842 30 20 BCED C=CCCNC[C@H](O)CO[C@H](C)COC 234769165 KMQPLFQUTHJWKH-MNOVXSKESA-N 217.309 0.565 30 20 BCED CN(C)C(=S)NN=Cc1cnccn1 255975935 HDCNFEZMNLOQFB-UHFFFAOYSA-N 209.278 0.247 30 20 BCED Cc1c(CN2CCOC[C@@H]2C#N)cnn1C 259897406 FJRDGNGURAKVLQ-NSHDSACASA-N 220.276 0.453 30 20 BCED N#Cc1cncc(NC[C@H]2CCCO2)n1 260217778 HMVJCIROKFWOMI-SECBINFHSA-N 204.233 0.939 30 20 BCED C#CCCN/C(=N/C)N(C)Cc1ccon1 261744522 LBPIKACHSOCNSJ-UHFFFAOYSA-N 220.276 0.705 30 20 BCED CC[C@H](C)N/C(N)=N/CCn1cccn1 261909141 XRPUAUDSFFIFJO-VIFPVBQESA-N 209.297 0.586 30 20 BCED C=CCN/C(=N/C)NC[C@@H]1CCC[C@H]1O 262375174 JHXWOESDFPBANS-VHSXEESVSA-N 211.309 0.498 30 20 BCED C[C@H]1CN/C(=N\CCN2CCC[C@@H](C)C2)N1 262646799 JJYXLNXFMYDCHL-MNOVXSKESA-N 224.352 0.656 30 20 BCED C=CCCO[C@H](C)C(=O)Nc1nnn[nH]1 264023918 PTSYJQQOLHUMRI-ZCFIWIBFSA-N 211.225 0.119 30 20 BCED CNC(=NC[C@@H](O)c1cccc(F)c1)NC 264071873 DMJNIHZVQLHTMI-SNVBAGLBSA-N 225.267 0.654 30 20 BCED CNC(=NC[C@H](O)c1ccccc1F)NC 264101597 OGAKDPYRAJHGGL-JTQLQIEISA-N 225.267 0.654 30 20 BCED C#CCN(CC)C(=O)NC[C@@H](C)COC 265568088 NSCNULJYUAIXBG-SNVBAGLBSA-N 212.293 0.934 30 20 BCED C#CCNS(=O)(=O)c1sccc1OC 268403173 QLHYRGYPBMPOLX-UHFFFAOYSA-N 231.298 0.668 30 20 BCED COC[C@@](C)(C#N)NC(=O)c1cc(C#N)c[nH]1 269563412 GDEHQXLDCZUNRF-LLVKDONJSA-N 232.243 0.545 30 20 BCED C[C@@H](CC(=O)O)NS(=O)(=O)CCCC#N 270540108 XKKZYVOSKKTJPK-ZETCQYMHSA-N 234.277 0.073 30 20 BCED CN(C)C1CN(c2cnccc2C#N)C1 273382408 YZTWLOGGOQBIOG-UHFFFAOYSA-N 202.261 0.703 30 20 BCED C#C[C@H](C)NC(=O)c1c(C)nn(C)c1OC 274691053 QDFODXQPCXWFAS-ZETCQYMHSA-N 221.260 0.489 30 20 BCED N#CCC(=O)Nc1n[nH]c(C2CCC2)n1 274806942 URKLDTMGDIKIQZ-UHFFFAOYSA-N 205.221 0.924 30 20 BCED C=CC[C@@H](C)NC(=O)C(=O)NCC1CC1 276532814 LPIQSEKYGPHRKR-MRVPVSSYSA-N 210.277 0.593 30 20 BCED CC#CCNC(=O)N[C@H](C)c1ncnn1C 276553991 FRBHOQAMCONOPE-MRVPVSSYSA-N 221.264 0.199 30 20 BCED CSCCONC(=O)c1c[nH]c(C#N)c1 279851999 CHEJFKLIHAPIKS-UHFFFAOYSA-N 225.273 0.911 30 20 BCED C#CCN(CC#N)C(=O)c1cncnc1C 281628649 YYQZYYWTFRNSFP-UHFFFAOYSA-N 214.228 0.384 30 20 BCED CC(C)(C#N)CC(=O)n1ncc(C#N)c1N 287611947 SXJJWGCSWRONGB-UHFFFAOYSA-N 217.232 0.917 30 20 BCED C=C(C)CS(=O)(=O)Nc1cncnc1 290581287 VWLJDFQQPUDANL-UHFFFAOYSA-N 213.262 0.794 30 20 BCED C#CCN(C)C(=O)NCC(=O)N1CCCCC1 292194004 CBSBLXWQENDOFA-UHFFFAOYSA-N 237.303 0.274 30 20 BCED C=CCC(F)(F)C(=O)NC[C@H](O)COC 293856728 XIANMDXTGFFFRZ-ZETCQYMHSA-N 223.219 0.321 30 20 BCED CC#CCN(C)C(=O)c1cc([N+](=O)[O-])[nH]n1 294651638 UDVCWIRPXZUDHP-UHFFFAOYSA-N 222.204 0.413 30 20 BCED C=CCNC(=O)[C@@H](C)N(C)CC(C)(C)CO 295125347 AGWGRELGLFGPGC-SNVBAGLBSA-N 228.336 0.627 30 20 BCED C#CCCN1CCC[C@H](c2n[nH]c(=O)o2)C1 295419101 UBZUEVYJTXORIV-VIFPVBQESA-N 221.260 0.566 30 20 BCED CC#CCN(C)C(=O)NCCOCC(F)F 298150954 BBDILPRMAXMBGN-UHFFFAOYSA-N 234.246 0.933 30 20 BCED C=CCNC(=O)C[S@@](=O)C[C@@H]1CCCO1 298441924 MYDVAWJAOWDGOX-VFZGTOFNSA-N 231.317 0.216 30 20 BCED C[C@H]1CN(c2ccnc(C#N)c2)C[C@H](CO)O1 300420939 ANJLWXSQJWIBGN-JOYOIKCWSA-N 233.271 0.539 30 20 BCED C#CCNC(=O)c1ccoc1CC(=O)O 300921676 PWNZZWXBUUDGGV-UHFFFAOYSA-N 207.185 0.270 30 20 BCED CCN(C)C(=O)[C@@H](C)Nc1ccc(C#N)nn1 302754636 IERADBQMJLPMJH-MRVPVSSYSA-N 233.275 0.627 30 20 BCED CN/C(=N\CCC(=O)NC(C)C)NC1CC1 303394711 GOFAIJJBJZFPRA-UHFFFAOYSA-N 226.324 0.229 30 20 BCED CC(C)N/C(N)=N/CC(C)(C)N1CCOCC1 303783892 OPWRDIRHTCHOCR-UHFFFAOYSA-N 242.367 0.410 30 20 BCED CCN(CC)/C(N)=N/C[C@@H]1CCN(C)C1 303901186 SNPQVHOCWYVUCE-JTQLQIEISA-N 212.341 0.595 30 20 BCED N#Cc1cc(N2CCC3(CC2)OCCO3)ncn1 306295402 IDRPSVWYJDTTEC-UHFFFAOYSA-N 246.270 0.692 30 20 BCED CO[C@@H]1CN(c2cc(C)nc(C#N)c2)C[C@H]1O 308277879 JRDLFTRWEUWHCR-VXGBXAGGSA-N 233.271 0.458 30 20 BCED C#C[C@H](NCc1c[nH]nc1C)[C@@H]1CCCO1 309855809 KHLNMGHSEHPNRN-RYUDHWBXSA-N 219.288 0.989 30 20 BCED CN1C[C@H](/N=C(/O)[C@@H]2CCOC2)CC1=O 328706714 PTBJSIMCIRAEMG-HTQZYQBOSA-N 212.249 0.210 30 20 BCED O/C(=N/C[C@@H]1COCCO1)[C@@H]1CCCOC1 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CCCN(C(=O)C#CCOC)[C@H]1CCN(C)C1 1328355483 JOIWGAXIWFDTIN-LBPRGKRZSA-N 238.331 0.579 30 20 BCED CCN(C(=O)C1=NN(C)C(=O)CC1)[C@H](C)C#N 1328826084 CCYWZJRSYHIVCB-MRVPVSSYSA-N 236.275 0.355 30 20 BCED COCC#CC(=O)NCCC[C@@H](C)CO 1329242955 ONMVZKGJGLXRRF-SNVBAGLBSA-N 213.277 0.161 30 20 BCED CC(C)OC(=O)COC(=O)c1cc(C#N)c[nH]1 1330810692 XINPRCXCBMRICN-UHFFFAOYSA-N 236.227 0.995 30 20 BCED CCn1ncnc1C=Nn1nnc(C)c1C 1330883066 NEMHIBJPZLVIQK-UHFFFAOYSA-N 219.252 0.389 30 20 BCED C#CCN(CC1CC1)C(=O)NCCNCC 1331455043 DERPDRWVXYEGSG-UHFFFAOYSA-N 223.320 0.651 30 20 BCED C=C[C@H](COC)NC(=O)[C@@H](C)[C@H](O)CC 1332085393 VHJHLROYOKWLLZ-IVZWLZJFSA-N 215.293 0.711 30 20 BCED C=CC[C@H](NC1CCN(C)CC1)C(=O)O 1332419757 GVADAYNGZUGACG-JTQLQIEISA-N 212.293 0.700 30 20 BCED C#CCN(C)c1nnnn1C[C@H]1CCCCO1 1332548112 NJSRQVIWIRXSLX-SNVBAGLBSA-N 235.291 0.312 30 20 BCED CCn1nnnc1N1CCC[C@H](CC#N)C1 1332945614 ZQWBDUOKUYGILK-SECBINFHSA-N 220.280 0.823 30 20 BCED CC(C)(C#N)C[C@H](O)Cn1cc(CCO)nn1 1333125951 SXJXBZSCMLJUHF-JTQLQIEISA-N 238.291 0.114 30 20 BCED N#C[C@@]1(F)CCN(C[C@@H]2CNC(=O)C2)C1 1333592439 QAWNBTSHDNVIER-WPRPVWTQSA-N 211.240 0.060 30 20 BCED CC(C)n1nnnc1N(C)[C@H](C)CC#N 1333660103 VFOKDGFAIUISCC-MRVPVSSYSA-N 208.269 0.992 30 20 BCED CCOC(=O)C1(NC[C@H](O)CC#N)CCCC1 1333850161 GVPWGVCPKYGRME-SNVBAGLBSA-N 240.303 0.726 30 20 BCED C=C(CO)C(=O)NOCCOc1ccccc1 1334819659 LTYRYWNSCLIQBH-UHFFFAOYSA-N 237.255 0.662 30 20 BCED C=CC[C@@H]1NC(=O)N(CC2CCOCC2)C1=O 1335228076 KDBPNFBDBIDOQU-JTQLQIEISA-N 238.287 0.910 30 20 BCED C=CCN(C)C(=O)C(=O)N1C[C@H]2C=C[C@H]1C2 1335671332 PWOUFDLMKWKDGB-UWVGGRQHSA-N 220.272 0.418 30 20 BCED C#CCN(C)c1nnnn1[C@@H]1CO[C@H](C)C1 1335753594 BREIHLTZBLFCOT-BDAKNGLRSA-N 221.264 0.092 30 20 BCED C=CC(C)(C)CC(=O)N1CC[C@@H](O)[C@H](CO)C1 1336846115 NQELIGMUPMOURK-WDEREUQCSA-N 241.331 0.790 30 20 BCED COc1ncc(NC(=O)[C@H](O)C2CC2)cc1C#N 1337368129 KVWSSAQMBFZEFB-SNVBAGLBSA-N 247.254 0.671 30 20 BCED C#C[C@H](CCC)NC[C@@H](O)C[C@@]1(O)CCOC1 1338519859 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N#C[C@H]1CC[C@@H](NC[C@]23CNC[C@H]2C3)C1 1580056320 PDXOSNWNQCENOV-QCNOEVLYSA-N 205.305 0.878 30 20 BCED N#Cc1cc(CNC(=O)[C@H]2CCCCN2)ccn1 1580061332 KCHIFKQNKWAEDJ-GFCCVEGCSA-N 244.298 0.712 30 20 BCED N#Cc1cccc(OCC(=O)N[C@H]2C[C@@H](N)C2)c1 1580077853 AWWZCLXAXJWXJA-PHIMTYICSA-N 245.282 0.543 30 20 BCED N#Cc1c[nH]nc1NC(=O)c1occc1N 1580080925 LSDQPMYQSMQBHF-UHFFFAOYSA-N 217.188 0.709 30 20 BCED C#CC1(NC(=O)[C@H](C)C(=O)O)CCCC1 1588385391 FOEGZWFSYHOKLP-QMMMGPOBSA-N 209.245 0.769 30 20 BCED C#Cc1cnc(NCCCC(=O)O)nc1 1588439031 FVRCZGOTNKHVCH-UHFFFAOYSA-N 205.217 0.735 30 20 BCED C=C[C@@H](OC(=O)[C@](C)(CC)OC)C(=O)O 1588705416 NCYRIJGAAITPOE-XCBNKYQSSA-N 216.233 0.984 30 20 BCED C=CC[C@H](NCCOC[C@@H]1CCCO1)C(=O)O 1588749026 CRQPHNQQKWMOBO-QWRGUYRKSA-N 243.303 0.801 30 20 BCED Cc1cc(NCCC#N)nc(-c2nn[nH]n2)c1 1592047203 QYEPXVCQBHJOHN-UHFFFAOYSA-N 229.247 0.896 30 20 BCED N#CCC(=O)Nc1cncc(C(=O)O)c1 1594606161 PQWHXKBCQDWLGO-UHFFFAOYSA-N 205.173 0.632 30 20 BCED CC[C@@H](CC#N)NS(=O)(=O)C[C@@H](C)C(=O)O 1595030871 ZBJBGNRDOGFGRV-SFYZADRCSA-N 248.304 0.319 30 20 BCED COCC#CC(=O)N(C[C@@H](C)C(=O)O)C1CC1 1599138413 KVVJXQHNBLIMLG-SECBINFHSA-N 239.271 0.348 30 20 BCED N#CCC1CN(c2ncc(C(=O)O)cn2)C1 1601064416 WTCGYUNMTYRVSL-UHFFFAOYSA-N 218.216 0.525 30 20 BCED N#CCCCCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O 1601064905 OQNICPYMYYXQPP-RKDXNWHRSA-N 240.259 0.117 30 20 BCED C#CCN(CC#N)C(=O)c1cc(C(=O)O)ccn1 1602715356 FEMDQEKRAJZNTO-UHFFFAOYSA-N 243.222 0.379 30 20 BCED N#Cc1ccc(C(=O)N2CC[C@H]2C(=O)O)cc1O 1608199115 SFVHKJAIAJQYBR-VIFPVBQESA-N 246.222 0.563 30 20 BCED CC[C@@H](O)[C@@H](C)C(=O)Nc1n[nH]cc1C#N 1639697949 MYKSKCUQEVFGBM-HTRCEHHLSA-N 222.248 0.627 30 20 BCED C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CC(=O)N1 1641000032 HJRLWYHQNFSXSF-SSDOTTSWSA-N 249.295 0.580 30 20 BCED N#Cc1ccsc1NC(=O)NCCC(N)=O 1673282447 GLCMDYVBADUEDG-UHFFFAOYSA-N 238.272 0.617 30 20 BCED CO[C@H](C)C(=O)N1CCC[C@@H](CNCC#N)C1 1752795319 YGMRAXPXXZCZGM-MNOVXSKESA-N 239.319 0.373 30 20 BCED C#CCNC/C=C\CNC(=O)CCn1cccc1 1754188544 HPGXRESJKCCFQY-ARJAWSKDSA-N 245.326 0.773 30 20 BCED C=CCCC(=O)N[C@H](CNC[C@@H](C)O)C1CC1 1754436916 XOTYLYUUSRFHEL-ZYHUDNBSSA-N 240.347 0.818 30 20 BCED N#CCNCC1CC(NC(=O)c2ccncc2)C1 1755204734 LCCZPXKKRHZXDX-UHFFFAOYSA-N 244.298 0.703 30 20 BCED CC(C)OCC(=O)N[C@H](C)CCCNCC#N 1755489649 AWIQXJXJTMYOSD-LLVKDONJSA-N 241.335 0.809 30 20 BCED C=C(C)CS(=O)(=O)N[C@H](CCC#N)C(=O)O 1776141008 PMLCWIXDJHDIEL-MRVPVSSYSA-N 246.288 0.239 30 20 BCED C=C(CO)CN1CCC[C@](C)(C(=O)O)C1 1776141882 WJFNQMFAUSPWNO-NSHDSACASA-N 213.277 0.722 30 20 BCED C=C(CO)CN1CC[C@H](C)C[C@H]1C(=O)O 1776142194 QQWHAJVOHVZLCP-WPRPVWTQSA-N 213.277 0.720 30 20 BCED C=C[C@@H]1CCCN(C[C@@](C)(O)C(=O)O)C1 1776150477 PRBXBFUYPXXKNU-MWLCHTKSSA-N 213.277 0.720 30 20 BCED N#Cc1nccnc1O[C@@H]1[C@@H]2CNC[C@H]1C2 1898227464 QMNVJPJPJYKMHB-MBTKJCJQSA-N 216.244 0.335 30 20 BCED CCCCCCCC(=O)N[C@H](CO)C(=O)O 59139811 VNAFZARVZCRBOX-SECBINFHSA-N 231.292 0.909 30 20 BCED N#CC1(CN2CCN(C[C@H]3CCOC3)CC2)CC1 343317412 VFWYHPGNQCDHDO-CYBMUJFWSA-N 249.358 0.944 30 20 BCED COc1ccnc(CNC(=O)[C@H](C)C#N)c1 344700156 JWGCDUAIWKQQNJ-MRVPVSSYSA-N 219.244 0.866 30 20 BCED Cn1ccnc1CNc1cc(C#N)ncn1 309289031 JIBQLRZGGLLPPI-UHFFFAOYSA-N 214.232 0.694 30 20 BCED C[C@@H](CC#N)NS(=O)(=O)N1CCCC1 50391462 HLJOAABKFQCCTL-QMMMGPOBSA-N 217.294 0.219 30 20 BCED C[C@@H](CC[S@](C)=O)Nc1cc(C#N)ncn1 309429251 LNJLGJNXMPJKJL-PWJLMRLQSA-N 238.316 0.917 30 20 BCED C=CCNC(=O)NC(=O)[C@@H](C)SCC(C)=O 176748148 TYOOMQUDRCYQKN-MRVPVSSYSA-N 244.316 0.709 30 20 BCED CC[C@H](C(=O)NC[C@@H](C)C#N)N1CCCC1=O 172804119 MPKSHBMWUIBPKD-VHSXEESVSA-N 237.303 0.663 30 20 BCED C=CCNC(=O)CNC(=O)c1coc(CC)n1 119030292 MACUGIWMPQYKFV-UHFFFAOYSA-N 237.259 0.269 30 20 BCED N#CCN1CCC(NC(=O)C2CCC2)CC1 110511296 SPCCAFWWKMNJBV-UHFFFAOYSA-N 221.304 0.891 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1ccccc1 22563506 LANIWEYYUGYXRC-JTQLQIEISA-N 231.251 0.981 30 20 BCED C[C@@H](C#N)CNC(=O)CCCNC(=O)C1CC1 171839746 ZGABJTBQBZMAAM-VIFPVBQESA-N 237.303 0.569 30 20 BCED COC(=O)[C@@H](C)C/N=C(\N)NC(C)C 303973466 GXVFKTHAWDOZDC-ZETCQYMHSA-N 201.270 0.108 30 20 BCED CC1(C)CN(c2ncncc2C#N)CCO1 304491210 QNOWWDDXLNEDOG-UHFFFAOYSA-N 218.260 0.963 30 20 BCED COC[C@@H]1CCCN(C(=O)NCCC#N)C1 408365652 KIBBAZQYNNPERX-SNVBAGLBSA-N 225.292 0.968 30 20 BCED C#CCN1CCN(C(=O)C[C@H](C)SC)CC1 121055862 DGNYUBRVPWAAGT-NSHDSACASA-N 240.372 0.905 30 20 BCED CCCCCCN/C(N)=N/CCC(=O)N(C)C 303863263 ADOUCDGRTZXEFI-UHFFFAOYSA-N 242.367 0.949 30 20 BCED C=CCN(CC(=O)OCC)C(=O)COC(C)C 122155102 ZIDQYFRIGNCIAO-UHFFFAOYSA-N 243.303 0.989 30 20 BCED C=C[C@H](C)NC(=O)N[C@H]1CCN(C(C)C)C1=O 128117684 XNWRYCSBDYRZPN-UWVGGRQHSA-N 239.319 0.869 30 20 BCED C=CCCOCCNC(=O)N1CCC[C@H]1CO 122467884 IAAFLQLUHPNLNN-NSHDSACASA-N 242.319 0.745 30 20 BCED C#C[C@H](C)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 185997674 QYPNXELPHBRBAJ-JOYOIKCWSA-N 243.262 0.906 30 20 BCED C=C(C)CN(C)CC(=O)NC(=O)NCC 181264256 HCZYICRJOCMQNH-UHFFFAOYSA-N 213.281 0.340 30 20 BCED N#CCCNC(=O)NCC1(N)CCCCC1 418096617 KJGZOAXRYDCZCH-UHFFFAOYSA-N 224.308 0.861 30 20 BCED COCCNCCNc1ccc(C#N)c(C)n1 261547652 IJIAWGNGERZYOS-UHFFFAOYSA-N 234.303 0.910 30 20 BCED N#Cc1ccc(N2CCOC[C@@H]2C(=O)O)cn1 129128730 UMSCMEQXXXVGFI-SNVBAGLBSA-N 233.227 0.243 30 20 BCED C#C[C@@H](C)N(C)C(=O)[C@@H]1CCn2ccnc2C1 491730924 AAXMAHNOCMWWQU-GHMZBOCLSA-N 231.299 0.926 30 20 BCED C#CCCCCC(=O)NCC[C@H](O)COC 180533518 QNTQEEDBPFUGDH-NSHDSACASA-N 227.304 0.694 30 20 BCED C=CCOCCCC(=O)NCCC(=O)N(C)C 79602542 KOMQPWSYMROQGJ-UHFFFAOYSA-N 242.319 0.564 30 20 BCED CC#CCNC(=O)NC[C@@H](C)CCOC 413634083 GGUGGTGCEDNVJF-JTQLQIEISA-N 212.293 0.982 30 20 BCED C#CCOC(=O)CNC(=O)Cc1ccccc1 42362795 OKYNYSBSEWVQRX-UHFFFAOYSA-N 231.251 0.522 30 20 BCED CC(C)(C#N)CNC(=O)N1CCC[C@@H]1CO 334375118 DCHUSFHZBGELOQ-SECBINFHSA-N 225.292 0.702 30 20 BCED Cn1cccc1C(=O)N1CCOC[C@H]1C#N 173132181 HHLNBKBABGRZTJ-SECBINFHSA-N 219.244 0.390 30 20 BCED N#CCSCC(=O)Nc1ccc(O)nn1 191277315 IPECTIOMIMUPLF-UHFFFAOYSA-N 224.245 0.377 30 20 BCED C[C@@H](NC(=O)C#Cc1ccccc1)C(=O)N(C)C 81725103 PZBRTYVEKJCTRY-LLVKDONJSA-N 244.294 0.631 30 20 BCED CC#CCNC(=O)[C@@H]1CCCCC(=O)N1 194428786 QRUYYRGGOKSSOM-VIFPVBQESA-N 208.261 0.185 30 20 BCED C=CC[C@@H](NC(=O)[C@H](CC)OC)C(=O)O 380044107 VGPGVNIMWYLJJD-SFYZADRCSA-N 215.249 0.557 30 20 BCED CCn1nncc1C(O)=Nc1nncn1C1CC1 329182283 OOIMPZDOWBWJPW-UHFFFAOYSA-N 247.262 0.861 30 20 BCED C=C(C)COCCNC(=O)c1n[nH]nc1C 194339241 TZGCSBWYXATVDA-UHFFFAOYSA-N 224.264 0.436 30 20 BCED CC[C@@H](C#N)C(=O)N1CCCC[C@H]1C(=O)NC 44826311 VTHLSBRXWNQRSB-UWVGGRQHSA-N 237.303 0.663 30 20 BCED CSCC[C@H](O)C(=O)N[C@]1(C#N)CC1(C)C 427878651 RDXBPJWFQKUJBM-KWQFWETISA-N 242.344 0.909 30 20 BCED C[C@H]1C(O)=NCCN1/C(O)=N/[C@@H]1[C@H]2COC[C@H]21 329991358 JUWDHDZZHRIBFD-RBXMUDONSA-N 239.275 0.206 30 20 BCED COC(=O)c1cc(CN2CC(O)(CC#N)C2)c[nH]1 429981832 KQFXGXJDSDSNHL-UHFFFAOYSA-N 249.270 0.262 30 20 BCED CNC(=S)NN=C1CC[C@@H](CC(=O)O)[C@@H]1C 382005780 AZMDWKJDCANBGB-BQBZGAKWSA-N 243.332 0.957 30 20 BCED C[C@H](CS(C)(=O)=O)C(=O)N1CC(C)(C#N)C1 332019070 HZDFBZNIRNYBJL-MRVPVSSYSA-N 244.316 0.039 30 20 BCED C[C@H]1CCNC(=O)[C@@H]1Nc1ncccc1C#N 193536367 BMBNORXCHGBSPX-WCBMZHEXSA-N 230.271 0.890 30 20 BCED C=C[C@@H]1CCCCN1C(=O)[C@H]1COCCN1C 336369463 RMRDFMQEVUFAII-VXGBXAGGSA-N 238.331 0.884 30 20 BCED CC(C)OCC/N=C(/O)N1CCO[C@H](CO)C1 330848512 MGHIIQKQESRJOS-JTQLQIEISA-N 246.307 0.019 30 20 BCED N#CCCCNC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 331372839 GXYWUFYXYAPSBO-GARJFASQSA-N 237.303 0.702 30 20 BCED CN1C[C@@H](NC(=O)C2(C#N)CCC2)CC1=O 265586980 JGRYWBSTDYLMIY-QMMMGPOBSA-N 221.260 0.027 30 20 BCED C=C(Cl)CNC(=O)CC(=O)OCC 265536019 OGDMLFBDJLADQB-UHFFFAOYSA-N 205.641 0.808 30 20 BCED C=C[C@H](C)NC(=O)N1CCN(CC)C(=O)[C@H]1C 336499667 LGNFKXBMFOSODE-VHSXEESVSA-N 239.319 0.823 30 20 BCED Cc1ccc(CN2CC(O)(CC#N)C2)nc1 331957540 LHUFWLBMCNBDLT-UHFFFAOYSA-N 217.272 0.850 30 20 BCED N#C[C@@]1(NC(=O)c2cn3c(n2)CCC3)CCOC1 514863791 VFMWSKJKSOBMIJ-LBPRGKRZSA-N 246.270 0.242 30 20 BCED Cc1cc(CNC(CO)CO)ccc1C#N 336743342 TYVMSLNTHZPTEV-UHFFFAOYSA-N 220.272 0.310 30 20 BCED COC[C@@H]1CCN(C(O)=Nc2ccncn2)C1 331085400 ZQSAKSIAHVFVSS-SECBINFHSA-N 236.275 0.990 30 20 BCED Cc1cccc2ncnc(NCC#CCO)c12 339968858 JDYQSRYFDIVDKT-UHFFFAOYSA-N 227.267 1.346 30 20 BCED C[C@H](CCO)NC(=O)N[C@@H]1CC[C@H](C#N)C1 425675518 AQQDFTOYGXVHTI-KXUCPTDWSA-N 225.292 0.749 30 20 BCED C=CCCC(=O)N1CCO[C@@H](CC(=O)OC)C1 148184032 NLRBGBJRUFLNKH-JTQLQIEISA-N 241.287 0.743 30 20 BCED CC1(C)OB(c2ncns2)OC1(C)C 238176757 MCAHQWYFLUUEDH-UHFFFAOYSA-N 212.083 0.837 30 20 BCED CN(CC#N)C(=O)c1cccc(OCC(N)=O)c1 337541489 LAZPLDJBNFOFAA-UHFFFAOYSA-N 247.254 0.146 30 20 BCED N#CCC(=O)N[C@@H]1Cc2cccc(O)c2C1 336519296 WIPSHNOKCMWKRH-SECBINFHSA-N 216.240 0.889 30 20 BCED C#CCONC(=O)Cc1c(C)noc1C 291353226 XKUNIOGFLFSFOF-UHFFFAOYSA-N 208.217 0.515 30 20 BCED C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C#N)C1 94177571 UBCMUTMCYRXMFL-IVZWLZJFSA-N 224.260 0.162 30 20 BCED CC[C@@H](COC)/N=C(/O)N(C)Cc1nc[nH]n1 330485569 AXIWTVHCQHLHBT-QMMMGPOBSA-N 241.295 0.576 30 20 BCED O/C(=N/C[C@@H]1CCC[C@H]1O)N[C@@H]1[C@H]2COC[C@H]21 330000368 WHVCIIOSHVXPKI-FBDQPXRJSA-N 240.303 0.296 30 20 BCED N#CCC(=O)N[C@@H]1CN(c2ccccc2)C1=O 335762868 DOLKBKWCUZAANQ-SNVBAGLBSA-N 229.239 0.432 30 20 BCED C=CCOCC(=O)NCCOC[C@H]1CCCO1 522386867 NKZBRDOPZOHMHB-LLVKDONJSA-N 243.303 0.501 30 20 BCED CO[C@@H]1C[C@H]2C(=O)N(C[C@@H](C)C#N)C(=O)N2C1 349175907 XNVYZSUSVAOUQV-YIZRAAEISA-N 237.259 0.198 30 20 BCED CNC(=O)[C@H](C#N)C(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 528925639 VXAXUQSSKRCRKM-SFKDOBOXSA-N 220.272 0.733 30 20 BCED CC[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 345639060 SNWXCBIISJZIRH-OPRDCNLKSA-N 237.303 0.696 30 20 BCED C=CCNC(=O)CN1C[C@@H]2CCC[C@H](N)[C@H]2C1 252879286 XSKLPUUQZRCLDO-SRVKXCTJSA-N 237.347 0.348 30 20 BCED CC#CCCNC(=O)Cc1cnn(C)c1C 345773965 BNVYFQCTHZZYMA-UHFFFAOYSA-N 219.288 0.801 30 20 BCED N#Cc1ccc(CN[C@@]2(CO)CCOC2)o1 184197123 UZJJJWHLVSNPBX-LLVKDONJSA-N 222.244 0.392 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)COC 448804774 KOBUBRBHTXDGCT-MXWKQRLJSA-N 227.304 0.976 30 20 BCED CC#CCCNC(=O)Cc1cnn(C)c1 357403766 LMEOPICTHBLMFV-UHFFFAOYSA-N 205.261 0.492 30 20 BCED CC1(O)CN(Cc2cccc(C#N)n2)C1 602689060 PSWYCXXJTWMXBN-UHFFFAOYSA-N 203.245 0.520 30 20 BCED C=CCCN(C)C(=O)C(=O)NCCn1cccc1 358590228 VLTOJPKZHLTFKB-UHFFFAOYSA-N 249.314 0.639 30 20 BCED C=C(Br)C/N=C1\NC[C@H](C)N1 261528176 JKBGAHUURUYBGF-LURJTMIESA-N 218.098 0.832 30 20 BCED C=CCN(CC=C)S(=O)(=O)c1cnnn1C 440042385 JMHBBCDPIWMDOS-UHFFFAOYSA-N 242.304 0.178 30 20 BCED C=C[C@@H](O)C(=O)NCc1ncnn1C(C)(C)C 614487619 DHZIGKOWLICLKE-MRVPVSSYSA-N 238.291 0.196 30 20 BCED Cn1cccc1C/N=C(/N)N1CCOCC1 262551972 YVEWYIQYJJAGDG-UHFFFAOYSA-N 222.292 0.172 30 20 BCED COCC#CCN1CC[C@@H](C)[S@](=O)CC1 617565306 AYPPCNZEGARDFE-IAQYHMDHSA-N 229.345 0.479 30 20 BCED CN(C)CCCNC(=O)N1CC[C@@](F)(C#N)C1 615573497 RQHNNNVMHPLPJR-LLVKDONJSA-N 242.298 0.585 30 20 BCED C[C@@H]1COCCN1CCN=C(N(C)C)N(C)C 261967537 BTZITGZQQOYLDS-LLVKDONJSA-N 242.367 0.186 30 20 BCED C=CCN/C(N)=N/C[C@@](C)(O)c1ccccc1 267388779 CLFCLCQNEWFHOX-CYBMUJFWSA-N 233.315 0.984 30 20 BCED CC#CCCNC(=O)NCCC(=O)N(C)C 361333689 CZIONCAYAKIKEZ-UHFFFAOYSA-N 225.292 0.177 30 20 BCED C=C[C@](C)(O)C(=O)NC[C@]1(O)CCCC1(C)C 615348124 GNPBQVIQBUZHHP-QWHCGFSZSA-N 241.331 0.981 30 20 BCED C=C[C@H](O)C(=O)NCc1nn(C)cc1Cl 615829266 JLCHBKCXEBXICJ-QMMMGPOBSA-N 229.667 0.237 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@@H]1CCN(C(=O)CC)C1 612437300 PMRIKDACSIYIOW-BXKDBHETSA-N 240.303 0.051 30 20 BCED N#C[C@@H]1CN(C(=O)Nc2cnns2)CCO1 617284563 JPVSHNLXGMONJM-ZCFIWIBFSA-N 239.260 0.294 30 20 BCED C#C[C@@H](C)NC(=O)NCc1ncoc1C 274829981 RUOCIWHZJQHFMM-SSDOTTSWSA-N 207.233 0.804 30 20 BCED CC#CCNC(=O)/N=c1/ccnc2n(C)[nH]cc1-2 279247835 HQIHSZLKBJNQMT-YBEGLDIGSA-N 243.270 0.487 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@H]1CO 456771824 IJZWFSLSFBIJCH-USZNOCQGSA-N 239.315 0.855 30 20 BCED CN1CC[C@@H](NC(=O)CC(C)(C)C#N)C1=O 278431942 ZHOTVMYOPBMSEZ-MRVPVSSYSA-N 223.276 0.273 30 20 BCED C=CCC[C@@H](O)CN1CCc2n[nH]c(=O)cc2C1 274887167 OWYADFRRNNHHRJ-LLVKDONJSA-N 249.314 0.455 30 20 BCED C#CCSCCN=c1cc(C#N)nc[nH]1 379916659 PNNLKHPFFZREMV-UHFFFAOYSA-N 218.285 0.548 30 20 BCED N#Cc1c[nH]ccc1=NC[C@@H](O)[C@H]1CCOC1 548154110 AMZKDGUDLVDOGD-JOYOIKCWSA-N 233.271 0.184 30 20 BCED N#C[C@@H]1N(C(=O)CO)CCC[C@]12CCCCO2 377277081 KFJQITFDWGCBCR-CMPLNLGQSA-N 238.287 0.433 30 20 BCED C#CCNC(=O)[C@H](C)N(C)CCCSC 281234678 CPODKOQHMXRXBP-JTQLQIEISA-N 228.361 0.809 30 20 BCED C=C[C@](C)(O)CC(=O)NC[C@H](C)N1CCCC1 554965356 JKEGVYHTRXDRAC-AAEUAGOBSA-N 240.347 0.914 30 20 BCED C#CCSCCNC(=O)N[C@@H](C)CN(C)C 287481862 PKGWZAPPVIVQBV-JTQLQIEISA-N 243.376 0.602 30 20 BCED C#CCN(CC#N)C(=O)C(C)(C)NC(=O)OC 281485232 IAICWTAKCOCDCQ-UHFFFAOYSA-N 237.259 0.106 30 20 BCED C=CCn1c(C)nnc1N(C)[C@@H]1CCOC1 289562799 GCTMDWLYMNKZAU-SNVBAGLBSA-N 222.292 0.998 30 20 BCED C=CCOCCNC(=O)[C@H](CC)NC(C)=O 632359227 MQWGZXORZWXLMT-JTQLQIEISA-N 228.292 0.220 30 20 BCED N#CCC(=O)N[C@H]1COc2ccccc2[C@@H]1O 292987766 KCUZSAWXJKHXPX-CABZTGNLSA-N 232.239 0.511 30 20 BCED C=CCOCCSc1n[nH]c(=O)n1CC 292735388 UFTYMZGCLXLKDS-UHFFFAOYSA-N 229.305 0.886 30 20 BCED Cc1nnc([C@H](C)NCCO[C@@H](C)C#N)o1 381743292 PMNVJMJALRAOKA-YUMQZZPRSA-N 224.264 0.957 30 20 BCED CCCCCN(CCO[C@@H](C)C#N)CC(N)=O 801938087 BZCZOBBVBQSYIZ-NSHDSACASA-N 241.335 0.893 30 20 BCED C[C@H](C#N)COC(=O)C[C@@H]1CCCC(=O)N1 808992067 OGOOIZRNABJGPF-BDAKNGLRSA-N 224.260 0.748 30 20 BCED C#Cc1cncc(C(=O)N2CC(O)(CC#N)C2)c1 807279685 YIUDMJWJTZNUFR-UHFFFAOYSA-N 241.250 0.163 30 20 BCED CC#CCCCC(=O)NC[C@@H]1CCCNC1=O 646000135 SUIOCKNULFLRJG-NSHDSACASA-N 236.315 0.822 30 20 BCED COC(=O)C[C@H](C)C(=O)OCCO[C@H](C)C#N 801847396 KFBINEALZQAFPE-DTWKUNHWSA-N 243.259 0.657 30 20 BCED CCn1cc(C(C)=NNc2nc[nH]n2)cn1 807998502 IBQNRHLEBPMZSV-UHFFFAOYSA-N 219.252 0.857 30 20 BCED COC(=O)[C@]1(F)CCN(CCO[C@H](C)C#N)C1 801925197 HMULJVCGKAYTSB-KOLCDFICSA-N 244.266 0.502 30 20 BCED C=C[C@@](C)(O)CC(=O)NCC1=CCN(C)CC1 290306072 GSOCJLZHOQRMGP-CYBMUJFWSA-N 238.331 0.692 30 20 BCED C=CCCCn1cc(Cn2cc(CN)cn2)nn1 640936420 WQTMHEJOHBCCRA-UHFFFAOYSA-N 246.318 0.948 30 20 BCED C=CCCn1cc(CNc2ncncc2C)nn1 641640427 GYCBBOQVICOHNR-UHFFFAOYSA-N 244.302 1.565 30 20 BCED N#CCCCC(=O)NCc1cccnn1 291908686 MBTDZIHYZCDYPU-UHFFFAOYSA-N 204.233 0.787 30 20 BCED C=C[C@H](O)C(=O)NC[C@H](CCO)CC(C)C 646888955 MFCYGIJXNCWKGG-MNOVXSKESA-N 229.320 0.694 30 20 BCED CCO[C@@H]1C[C@H]1NC(=O)CSCC#N 563502556 CTYCPXZICGNDPP-HTQZYQBOSA-N 214.290 0.537 30 20 BCED CNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](OC)C1 815911595 HEVJGWGMATZPGI-IVZWLZJFSA-N 238.287 0.646 30 20 BCED C=C[C@H](O)C(=O)NC1CCC2(CC1)OCCO2 816889269 RVRZUVCYVCKLNM-JTQLQIEISA-N 241.287 0.335 30 20 BCED C=CCCn1cc(CNCC#CC)nn1 656452661 MPJLYMVBQCUYDN-UHFFFAOYSA-N 204.277 0.967 30 20 BCED CCC[C@@](C)(O)C(=O)NCC1(C#N)CC1 574234494 HWOTVMNVZAESDX-SNVBAGLBSA-N 210.277 0.957 30 20 BCED C#CCCS(=O)(=O)NC(=O)[C@H]1CC12CCC2 810783849 HTVAXNYOVXJRNX-SECBINFHSA-N 241.312 0.646 30 20 BCED C=C(CN(C)C)C(=O)N[C@H](CO)CC1CCC1 816802588 RFVLFSWKHVQDNT-LBPRGKRZSA-N 240.347 0.772 30 20 BCED OCC#CCNC[C@H](O)c1ccccc1 717531648 HJMJZUBLJVXCQO-LBPRGKRZSA-N 205.257 0.305 30 20 BCED C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)O 570156574 HIYHKDNMQMSXCK-QEYWKRMJSA-N 239.271 0.414 30 20 BCED C=CCCCS(=O)(=O)N1CCC(CO)CC1 489433447 UHVIHVGPURWCCM-UHFFFAOYSA-N 247.360 0.987 30 20 BCED C=C[C@@H](O)C(=O)O[C@H](C(=O)N(C)C)C(C)C 814547509 AWCWGHRRAXPMTP-BDAKNGLRSA-N 229.276 0.189 30 20 BCED C=C[C@@H](O)C(=O)OCC(=O)c1cc(C)no1 814547663 FCNNXVGRBSGATI-SSDOTTSWSA-N 225.200 0.256 30 20 BCED C[C@@H](C#N)NC(=O)c1cnn2c1OCCC2 570746639 QNLWOISIIZYBMR-ZETCQYMHSA-N 220.232 0.307 30 20 BCED N#CCC1(O)CN(C(=O)OCCCF)C1 497152892 YYRAVDBFSUVDKN-UHFFFAOYSA-N 216.212 0.443 30 20 BCED C[C@H]1CCN(C(=O)NCC2(C#N)CC2)[C@H]1CO 576925734 GTNOSCYUADOAPE-UWVGGRQHSA-N 237.303 0.702 30 20 BCED CC#CCNCc1cn(-c2ccn(C)n2)nn1 656456222 UVIDJUYDCVHDSR-UHFFFAOYSA-N 230.275 0.114 30 20 BCED C[C@@H](C#N)CNC(=O)CN1CCC(C)(C)C1 572778235 BPYNJWAIKQEKTD-JTQLQIEISA-N 223.320 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CC[C@@H](C#N)N(C)C(=O)C1(S(C)(=O)=O)CC1 594088128 OZHRSPNOOXRMCD-QMMMGPOBSA-N 244.316 0.324 30 20 BCED C=C(C)CONC(=O)[C@@H](C)n1cncn1 846536034 QDTGXXJKHAQTPH-MRVPVSSYSA-N 210.237 0.463 30 20 BCED C=CCNc1nnc(C(=O)N2CCCC2)o1 849159793 UECWSFJLDIRRFX-UHFFFAOYSA-N 222.248 0.904 30 20 BCED C=C[C@H](C)ONC(=O)N(C)CCC(=O)NC 845631010 ABRSDKXUQITDHZ-QMMMGPOBSA-N 229.280 0.270 30 20 BCED CC(C)(CC#N)CNC(=O)NC/C=C/CO 596624498 UNRPWMLZLRTAMW-ONEGZZNKSA-N 225.292 0.774 30 20 BCED C#CC[C@@H](CO)NC(=O)NCc1ccc(O)cc1 913997704 WXEKYRPYMOMJIZ-NSHDSACASA-N 248.282 0.576 30 20 BCED C=CCNC(=O)COC(=O)C[C@H]1CCCO1 845354672 YRJQCVGBVVKVFN-SECBINFHSA-N 227.260 0.401 30 20 BCED C=CCNC(=O)COC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 923586994 TVXMRVDWHLXBDP-WHGOUJPWSA-N 237.255 0.057 30 20 BCED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CNCCOC1 925654193 DLZHEIACXJXGBA-XQQFMLRXSA-N 240.347 0.546 30 20 BCED C=C[C@H](C)ONC(=O)NC[C@@]1(OC)CCOC1 845625757 OBIIHCWADHSKCP-ONGXEEELSA-N 244.291 0.597 30 20 BCED 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30 20 BCED CCO[C@H]1CCN(c2cncc(C#N)n2)C1 701748958 FCAUFTRMLOLUSN-JTQLQIEISA-N 218.260 0.963 30 20 BCED C#CCC[C@H](O)CNC(=O)c1oc(C)nc1C 717853678 XGXYXGCXNURVTO-JTQLQIEISA-N 236.271 0.796 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NCC)C1 1207950710 NEWRDSZJOPBIAI-YPMHNXCESA-N 240.347 0.914 30 20 BCED C#CCNC(=O)CN1CCC(CC#N)CC1 397119977 MFKXOIZRODEWEK-UHFFFAOYSA-N 219.288 0.361 30 20 BCED COC(=O)c1cccc(C#CC(C)(C)O)n1 585144925 NRUCTPWZRVNGFO-UHFFFAOYSA-N 219.240 0.991 30 20 BCED C#CCCNCCNC(=O)C1(COC)CC1 1131323724 QWNDINPYDAILNG-UHFFFAOYSA-N 224.304 0.142 30 20 BCED C[C@@H](O)C[C@@H](C)CN=c1cc[nH]c(C#N)n1 397729958 FBGAIPBKQXSFAO-RKDXNWHRSA-N 220.276 0.589 30 20 BCED C=CCCNC(=O)[C@@]1(C)C[C@@H](OC)CN1 638405190 APLJHXYAAPEQTL-MWLCHTKSSA-N 212.293 0.446 30 20 BCED CC(C)OC[C@@H](O)CN(C)C[C@@H](C)C#N 69606147 MZEQEYVCCPJDTJ-QWRGUYRKSA-N 214.309 0.864 30 20 BCED CCN(C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 971510337 CYHCHUUMCXHEGO-GFCCVEGCSA-N 220.316 0.952 30 20 BCED C=CCN(CCC#N)C(=S)NCCOC 793247420 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30 20 BCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NO)C1 782172119 LCTCQURSNYZJTP-JTQLQIEISA-N 248.254 0.841 30 20 BCED C[C@@]1(C#N)CCCN([C@@H]2CCOC2=O)C1 784455022 RVDWHBLUYXGREK-KOLCDFICSA-N 208.261 0.928 30 20 BCED CO[C@@H](CNCCC#N)C1CCOCC1 877484232 YQXKUAUQXIAYQB-NSHDSACASA-N 212.293 0.931 30 20 BCED N#Cc1ccc(NC(=O)[C@H]2C[C@H]2N)cc1C#N 1580070450 XGUGCOQQLZYFQE-WDEREUQCSA-N 226.239 0.716 30 20 BCED C=C[C@H](C(=O)O)N1CC[C@H](N2CCCC2=O)C1 1588664543 WWOUEXATQYOGGK-VHSXEESVSA-N 238.287 0.322 30 20 BCED CN1CCN(c2ccc([C@@H](N)C#N)o2)CC1 409438481 CUXNZVNWCVEFJU-VIFPVBQESA-N 220.276 0.555 30 20 BCED C=CCCc1cc(=O)n(CC(=O)O)cn1 409433246 ZAXUICDNUQEIJT-UHFFFAOYSA-N 208.217 0.447 30 20 BCED C#CCNC(=O)COC(=O)c1cccc(F)c1 8065846 YKNCFTOOPOJUST-UHFFFAOYSA-N 235.214 0.732 30 20 BCED Cc1nnc(N[C@H]2CCC(=O)NC2)c(C#N)c1C 112750402 RMSSBRDDNHLECC-VIFPVBQESA-N 245.286 0.656 30 20 BCED C=CC[C@@H](CO)CNS(=O)(=O)CC1CCC1 341192051 NXCJIHGRNACQPJ-LLVKDONJSA-N 247.360 0.891 30 20 BCED C#CCN1CCCC[C@@H]1CCNS(C)(=O)=O 52134265 JHQYIAXXPLTYRA-LLVKDONJSA-N 244.360 0.413 30 20 BCED C=CCOCCCC(=O)NC[C@H]1CCCN1 178752291 BLZXDZISJVXRIR-LLVKDONJSA-N 226.320 0.837 30 20 BCED C=CCn1c(SCC2OCCO2)n[nH]c1=O 179909574 SYYHUMVYCDPPHK-UHFFFAOYSA-N 243.288 0.222 30 20 BCED CC[C@H](CC#N)NS(=O)(=O)c1cnn(C)c1 54178550 WJMUSBGAFSTMGV-MRVPVSSYSA-N 242.304 0.391 30 20 BCED C#CCNC(=O)NCCc1cccc(C(=O)O)c1 111403291 ZNPGAHIIVAPQHY-UHFFFAOYSA-N 246.266 0.860 30 20 BCED C[C@@H](C#N)NC(=O)COc1ccccc1C=O 66633729 NGYZMWQYOPQPKO-VIFPVBQESA-N 232.239 0.906 30 20 BCED C=CCOC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 22052904 UXCJZSOZYIDKFL-MRVPVSSYSA-N 245.275 0.601 30 20 BCED C=CCC[C@@H](O)CN1CCO[C@H](COC)C1 177544558 ZORQUELZKPIJKX-NEPJUHHUSA-N 229.320 0.661 30 20 BCED CC[C@H](C#N)NC(=O)COC[C@H]1CCOC1 117778095 VYTJNEXKNPVQQI-VHSXEESVSA-N 226.276 0.458 30 20 BCED C=C[C@H](C(=O)OC)N1C[C@@H](CO)OC(C)(C)C1 304214494 JANJDGYLPWPURF-VHSXEESVSA-N 243.303 0.186 30 20 BCED CCN(CCO[C@H](C)C#N)CC(=O)N(C)C 304206135 CWEGVPVPYZDGHH-SNVBAGLBSA-N 227.308 0.325 30 20 BCED N#Cc1nccc(N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)n1 311070910 UYNRUOUBAZYCCS-BIGPTGISSA-N 242.282 0.554 30 20 BCED CC#CC(=O)N1CCC[C@@H](c2nnc(O)o2)C1 1347761753 FWBCVWWRYWHDOK-MRVPVSSYSA-N 235.243 0.505 30 20 BCED CN1CCN(CCNC(=O)CC#N)CC1(C)C 408430040 ORNGEUGTYBUINT-UHFFFAOYSA-N 238.335 0.042 30 20 BCED N#CC1(CNC(=O)C2(C#N)CCOCC2)CC1 1344476289 LXDYOSAAHLVWSN-UHFFFAOYSA-N 233.271 0.727 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](CCN)C(F)F 1341687447 UBWQSAMGFISSAL-MUWHJKNJSA-N 222.235 0.022 30 20 BCED C#CCCCNC(=O)N1CCO[C@H](C#N)C1 173324570 RPJWSQHWHRYVKD-SNVBAGLBSA-N 221.260 0.334 30 20 BCED C=CCN(CC=C)[C@@H](C)C(=O)NCC(=O)O 32024503 LAXCHPGNCFAEDX-VIFPVBQESA-N 226.276 0.250 30 20 BCED CN/C(=N/CC1(CO)CC1)NCc1ccco1 304540875 RBOYNCYCIPMINM-UHFFFAOYSA-N 237.303 0.717 30 20 BCED CC#CCOC(=O)Cn1cc(C2CC2)nn1 127086878 IFNJEDCSBFFWNO-UHFFFAOYSA-N 219.244 0.722 30 20 BCED CC[C@@H]1C[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C 301298541 PYDQZWVUYNEDIS-VXNVDRBHSA-N 248.286 0.166 30 20 BCED C=C(C)C[C@@H](C)C(=O)NCCNC(C)=O 184903950 PQFJLSUXXPRLOQ-SECBINFHSA-N 212.293 0.841 30 20 BCED CC(C)[C@H](O)CNS(=O)(=O)CCCC#N 120656591 BMPXEODCTDSHNU-SECBINFHSA-N 234.321 0.226 30 20 BCED COC(=O)c1ccc(C(=O)NCC#N)o1 124675172 ZNNGBXMAMVPKEK-UHFFFAOYSA-N 208.173 0.320 30 20 BCED C[C@@H](O)CNC(=O)Cc1ccc(OCC#N)cc1 129201884 NNUOQLTWSXUPKP-SNVBAGLBSA-N 248.282 0.628 30 20 BCED C=CCNC(=O)CNC(=O)CC[C@@H]1CCOC1 181716263 ZSTHYHZRSVMSBV-SNVBAGLBSA-N 240.303 0.222 30 20 BCED C#C[C@@H](CC)NS(=O)(=O)C[C@@H]1CCCCO1 491668604 ZKSWBBNEDQJNFS-QWRGUYRKSA-N 245.344 0.887 30 20 BCED C[C@H](CCS(C)(=O)=O)NC(=O)C(C)(C)C#N 126611382 CCZZCNQQUZOWBT-MRVPVSSYSA-N 246.332 0.476 30 20 BCED Cc1cn2cc(C(=O)NCC#CCO)sc2n1 412323278 IMIQMQWAGVYJMN-UHFFFAOYSA-N 249.295 0.430 30 20 BCED C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C)C(=O)[C@H]1C 410727768 CEBAIKUULBNYHA-SBMIAAHKSA-N 235.287 0.225 30 20 BCED N#Cc1cccc(N2CCC(O)(C(=O)O)CC2)n1 600674176 DRLGQLOETTWRTA-UHFFFAOYSA-N 247.254 0.369 30 20 BCED N#C[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 79826895 UNZBJBNUGOAHIS-VHSXEESVSA-N 224.260 0.164 30 20 BCED CCN1CCO[C@@H](C(=O)N[C@@H](C#N)C(C)C)C1 73494991 DZFVVLQCRYZNIQ-WDEREUQCSA-N 239.319 0.371 30 20 BCED O/C(=N/[C@H]1CCCOCC1)N[C@@H]1[C@H]2COC[C@H]21 329968559 TYJUFLVTKCHPNO-UKKRHICBSA-N 240.303 0.704 30 20 BCED C=CCNCCNC(=O)c1cncs1 379662088 QYDIBJPQYQLISA-UHFFFAOYSA-N 211.290 0.649 30 20 BCED CCOC(=O)CCN(C)C(=O)C(C)(C)C#N 44474360 IDUDSUIMQKNEGY-UHFFFAOYSA-N 226.276 0.948 30 20 BCED C#C[C@H](C)NS(=O)(=O)N(C)CCC 193509312 ZBJGDTVOZNCJNI-QMMMGPOBSA-N 204.295 0.184 30 20 BCED C#CCNC(=O)CC(C)(C)CC(=O)OC 136895328 AORPSBCLAXCAKW-UHFFFAOYSA-N 211.261 0.715 30 20 BCED CO[C@H]1CCN(/C(O)=N/CC2=CCCOC2)C1 329321880 UNWBXMATGDKTJZ-NSHDSACASA-N 240.303 0.968 30 20 BCED C=CCCS(=O)(=O)N1CCOC[C@H]1C 130438905 YZEURBSIAWYTSV-SECBINFHSA-N 219.306 0.613 30 20 BCED C=CCN(C)C(=O)[C@@H](C)N1CCOCC1 428284372 YGJHGVPLHVMVAL-SNVBAGLBSA-N 212.293 0.352 30 20 BCED CNC(=O)COC(=O)c1cc(C#N)cs1 83940548 BRXGSJLDEWCIEI-UHFFFAOYSA-N 224.241 0.523 30 20 BCED C=CCn1cc(CNc2cc(C)nc(C)n2)nn1 425265155 SWKHRJDZFBOHDD-UHFFFAOYSA-N 244.302 1.483 30 20 BCED C#CCNCC(=O)N[C@@H](C)c1ccccn1 86156760 GEEHTAVQSDYHJP-JTQLQIEISA-N 217.272 0.482 30 20 BCED N#CCCNC(=O)N1CCC[C@H]1CCO 426440745 ADEYCWWBSSJBRU-VIFPVBQESA-N 211.265 0.456 30 20 BCED CC(C)(C)n1cc(CN2CC(O)(CC#N)C2)nn1 191529281 LRTKGTREFOEQBC-UHFFFAOYSA-N 249.318 0.493 30 20 BCED N#CCN(C(=O)c1nccnc1N)C1CC1 381365634 DXXUTCCUKMFVOH-UHFFFAOYSA-N 217.232 0.187 30 20 BCED CC1CCN(S(=O)(=O)[C@H](C)C#N)CC1 83920279 UZLSGVSNCYHNSX-SECBINFHSA-N 216.306 0.960 30 20 BCED C[C@@H](CN)NS(=O)(=O)c1cccc(C#N)c1 82578399 HTVXAWLKEYYVSK-QMMMGPOBSA-N 239.300 0.184 30 20 BCED CC[C@H](CO)NC(=O)C1(C#N)CCOCC1 224538933 JQDFXHMLKRFSMG-SECBINFHSA-N 226.276 0.194 30 20 BCED N#CCSCCCN1CC[C@@H](CO)[C@H](O)C1 517778280 TURHNHNXWVNQEQ-WDEREUQCSA-N 244.360 0.308 30 20 BCED C=CCN(C)CCN(CC)[C@@H](C)C(=O)OC 429706624 GSTLEZXDVUGXJZ-NSHDSACASA-N 228.336 0.988 30 20 BCED C[C@H](CC#N)NC(=O)[C@@H]1CCc2cncn2C1 334187541 GZTNIBDUAWEDFQ-NXEZZACHSA-N 232.287 0.864 30 20 BCED CC[C@@H]1CC[C@H](/C(O)=N/Cc2nnn(C)n2)O1 330186809 SJNYJQJBUMJUOM-HTQZYQBOSA-N 239.279 0.624 30 20 BCED C[C@]1(C(=O)N2CC(O)(CC#N)C2)C[C@@H]1F 335207901 AUOFZWBMCRYLLQ-CBAPKCEASA-N 212.224 0.221 30 20 BCED Cn1ccc(CC/N=C(/O)NCCF)n1 331232547 JJVBLUGUZZBGIA-UHFFFAOYSA-N 214.244 0.436 30 20 BCED C[C@H]1OCC[C@@H]1C(=O)Nc1[nH]ncc1C#N 94177564 TWJRYKUOTMGTTO-SVRRBLITSA-N 220.232 0.645 30 20 BCED CCN(C[C@H](C)C#N)C(=O)c1cnnn1CC 330432662 OHRAWATVTMYJGS-SECBINFHSA-N 235.291 0.920 30 20 BCED C=CCN1CC[C@@H](N2CCCC[C@@H]2CO)C1=O 337146055 XZEKGVFEHAIWLI-VXGBXAGGSA-N 238.331 0.620 30 20 BCED C=CCN1CCC(NC(=O)[C@@H](N)C(C)C)CC1 236736139 CBYFDVTWUUSYAX-LBPRGKRZSA-N 239.363 0.736 30 20 BCED C[C@H](C#N)CNC(=O)N1CCOC[C@@H](C)C1 334413725 WDUMJCNJUQWUOA-ZJUUUORDSA-N 225.292 0.824 30 20 BCED CN(CCC#N)C(=O)[C@H]1CCC[C@H](O)C1 336548622 OJTUJXOIWDZCAJ-UWVGGRQHSA-N 210.277 0.910 30 20 BCED C[C@H](C#N)CN(C)C(=O)[C@]1(O)CCSC1 336328128 VVYKJDUPYHRYEJ-SCZZXKLOSA-N 228.317 0.472 30 20 BCED CC(C)CNS(=O)(=O)c1cccnc1C#N 232649766 XWLRYGZFVBNYFU-UHFFFAOYSA-N 239.300 0.888 30 20 BCED CC[C@H](C(=O)N(C)C[C@@H](C)C#N)N(C)C 338200885 DTOBXJJWCSHYQV-VHSXEESVSA-N 211.309 0.945 30 20 BCED COC[C@@H](CO)NC(=O)C1(C#N)CCCCC1 234808292 OLFBDPONSSHOAW-SNVBAGLBSA-N 240.303 0.584 30 20 BCED Cc1ccccc1[C@@H]1C(=O)NCCN1CC#N 334957174 WIZXVAQLNZRULQ-GFCCVEGCSA-N 229.283 0.992 30 20 BCED N#Cc1c(Cl)cccc1N1C[C@@H](O)[C@H](O)C1 236535250 XJXNQMXQPNHDAQ-GHMZBOCLSA-N 238.674 0.753 30 20 BCED C=C(C)CS(=O)(=O)N1CCOCC12CC2 335068097 MRNPJCAIAJRWAB-UHFFFAOYSA-N 231.317 0.757 30 20 BCED N#CCC(=O)N1CCO[C@H](COCC2CC2)C1 332168524 MCBRLKSCDBZEOY-NSHDSACASA-N 238.287 0.554 30 20 BCED C[C@H](CC#N)NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 602084929 IQOYPVCDYXBBMV-MXWKQRLJSA-N 237.303 0.268 30 20 BCED COC(=O)COCCNC(=O)CC(C)(C)C#N 600398591 XVTXHEPZELCBQC-UHFFFAOYSA-N 242.275 0.232 30 20 BCED CCC[C@@H](C#N)NC(=O)CC(=O)OCC 608816763 WIICJARTKZQWKS-QMMMGPOBSA-N 212.249 0.748 30 20 BCED N#C[C@H]1CN(c2cc(CO)ccn2)CCO1 603291118 NZWMINSBKBQRLP-JTQLQIEISA-N 219.244 0.303 30 20 BCED CC(C)(C#N)C(=O)N[C@H](CO)[C@H]1CCCO1 344860392 IVJMXEUMXOKFIV-RKDXNWHRSA-N 226.276 0.192 30 20 BCED CO[C@@H](C)CCC(=O)N1CCOC[C@@H]1C#N 181557800 UKEHCTQDEZRLBS-UWVGGRQHSA-N 226.276 0.552 30 20 BCED C=C[C@H](C)NC(=O)N1CCC[C@H]2C(=O)NC[C@@H]21 342240068 WHIFKBVQOFFGGT-AEJSXWLSSA-N 237.303 0.481 30 20 BCED Cc1nc(SCC(=O)NC[C@@H](C)C#N)n[nH]1 524794853 GSWJJSITIQPBBZ-LURJTMIESA-N 239.304 0.481 30 20 BCED CC[C@H](C#N)NC(=O)c1nccn2ccnc12 265899578 OAFAQGYCJJODGS-MRVPVSSYSA-N 229.243 0.761 30 20 BCED C=CCOCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 352581033 QRBGQWCDMAKAOV-NEPJUHHUSA-N 238.331 0.742 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](C)c1ccn(C)n1 616240824 NFNQWOSRDYXYIA-KCJUWKMLSA-N 223.276 0.534 30 20 BCED C=CCSCCNC(=O)N1CC[C@@H](CO)C1 265804915 KMFFGXJZEHKYGH-SNVBAGLBSA-N 244.360 0.929 30 20 BCED 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C=CCCN1CC(NC(=O)Cc2cnoc2)C1 1030828522 GUNUQCHJFZTUEZ-UHFFFAOYSA-N 235.287 0.594 30 20 BCED Cn1cccc1C(=O)NC[C@H]1CCN1CC#N 1038063673 GIYJSKGFYFBJJE-SNVBAGLBSA-N 232.287 0.353 30 20 BCED CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCOC1 1038099357 WVQJJUOMXVAVPB-VXGBXAGGSA-N 236.315 0.237 30 20 BCED N#CCN1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 1038150310 FAGFNFBGWXBWEC-SNVBAGLBSA-N 243.270 0.214 30 20 BCED C#CCN1CC[C@@H](c2n[nH]cc2CNC(C)=O)C1 1070388999 WXKLEEXDDHNKIU-LLVKDONJSA-N 246.314 0.468 30 20 BCED C=CCN1CCO[C@@H]2CCN(C(=O)CC)C[C@@H]21 1074122543 AYLRHXZHKGVNNU-NWDGAFQWSA-N 238.331 0.884 30 20 BCED C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccoc2)C1 1076743201 VXWAGMQCCSAPAP-VXGBXAGGSA-N 248.282 0.078 30 20 BCED N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cnon1 1085369528 YIKIJBVYSNLQSH-RKDXNWHRSA-N 249.274 0.224 30 20 BCED C#CCN1CC[C@H](NC(=O)c2cccn2C)[C@H]1C 1088472392 JYUQHKPXRFLJBT-NEPJUHHUSA-N 245.326 0.851 30 20 BCED N#Cc1cccc(C(=O)N2CC(O)(C3CC3)C2)n1 1117639932 AFYBIWJMAOSGQK-UHFFFAOYSA-N 243.266 0.550 30 20 BCED 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CC(C)[C@@H](O)COC(=O)[C@@](C)(C#N)CC(=O)O 1588836134 QIQJRWLPQHDABZ-GZMMTYOYSA-N 243.259 0.551 30 20 BCED CCN(CC#N)C(=O)c1cnc(C(=O)O)cn1 1589719051 NRZUXWXNOKUXJC-UHFFFAOYSA-N 234.215 0.160 30 20 BCED C[C@H](CC#N)OC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1592225999 RZQVFTJLOGWQHO-GJMOJQLCSA-N 227.216 0.464 30 20 BCED CN(CCC(=O)O)C[C@H](O)CC1(C#N)CCC1 1593737129 YBCVJKJEZBHQSK-SNVBAGLBSA-N 240.303 0.838 30 20 BCED CCN(CCC#N)CN1C[C@@H](C(=O)O)CC1=O 1596299389 FPYGXKHMMCEVAU-VIFPVBQESA-N 239.275 0.113 30 20 BCED COC[C@@](C)(CC(=O)O)NC(=O)CCCC#N 1599145828 KKJUSAFIDZVFLZ-LLVKDONJSA-N 242.275 0.676 30 20 BCED COCCN(CCC(=O)O)C(=O)CCCC#N 1599235086 QADLKVRILFNMOK-UHFFFAOYSA-N 242.275 0.630 30 20 BCED N#CCNC(=O)c1ccc(C(=O)O)cn1 1601074939 XEISKPSVGALJEN-UHFFFAOYSA-N 205.173 0.033 30 20 BCED N#Cc1ccc(CNC(=O)C2(C(=O)O)CC2)nc1 1601100814 ZVGVHBUHPQKKAC-UHFFFAOYSA-N 245.238 0.434 30 20 BCED C=C(C)COCCNC(=O)[C@H](C(=O)O)C1CC1 1602709650 GKCGVZGAQWBQCD-SNVBAGLBSA-N 241.287 0.806 30 20 BCED 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C=C[C@H](COC)NC(=O)C12CC(C(=O)O)(C1)C2 1609266736 APDHSQPGKOATDJ-HUUUCTMMSA-N 239.271 0.559 30 20 BCED CC1CC(C#N)(C(=O)NCC2(CC(N)=O)CC2)C1 1630297069 XJBQJDFVTCJFRO-UHFFFAOYSA-N 249.314 0.698 30 20 BCED N#CCn1nnc2ccc(Cl)cc2c1=O 1641217962 SANDUOFKFXWJHT-UHFFFAOYSA-N 220.619 0.968 30 20 BCED C[C@@H]1[C@@H](CO)CCN1C(=O)NCC1(C#N)CC1 1672237363 FIPBWLCGWPMMJK-NXEZZACHSA-N 237.303 0.702 30 20 BCED C#CCNC[C@H](C)N(C)C(=O)c1nccs1 1753716990 GBCRGDMVSHHHDA-VIFPVBQESA-N 237.328 0.826 30 20 BCED C#CCNCCN(CC)C(=O)[C@@H](C)n1cccn1 1754034279 GEMYXABTFHKFFS-GFCCVEGCSA-N 248.330 0.515 30 20 BCED C#CCCNC[C@@H](NC(=O)[C@H](C)C#N)C1CC1 1754436144 QMJHFKABHXDXJH-ZYHUDNBSSA-N 233.315 0.654 30 20 BCED C#CCCN1CC[C@H]1CNC(=O)C(F)F 1754469654 WXWGBKOOYBLKMK-QMMMGPOBSA-N 216.231 0.465 30 20 BCED C=CCN[C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]n1 1755262098 JBYCTUNDROYCPW-IUCAKERBSA-N 237.307 0.016 30 20 BCED C#CCNC[C@@H](O)CN(C)C(=O)C1=CCCC1 1755778041 QOMMAWZRRGWEPL-GFCCVEGCSA-N 236.315 0.139 30 20 BCED C=C(CO)CN1CC[C@@H](C)C[C@@H]1C(=O)O 1776142191 QQWHAJVOHVZLCP-PSASIEDQSA-N 213.277 0.720 30 20 BCED C#CCNC(=O)COc1cccnc1[N+](=O)[O-] 7550934 VWBFZSOEHGFXHN-UHFFFAOYSA-N 235.199 0.118 30 20 BCED C#CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 35720973 WZSVNLXNQJPARB-RKDXNWHRSA-N 207.229 0.403 30 20 BCED CS(=O)(=O)CCCNc1ncccc1C#N 38048435 XUYRQPHJYCVFAS-UHFFFAOYSA-N 239.300 0.800 30 20 BCED Cc1n[nH]cc1CNC(=O)C1(C#N)CCOCC1 44766867 AUJUJPCYDSTIDL-UHFFFAOYSA-N 248.286 0.655 30 20 BCED CC[C@H](C#N)C(=O)NC1CCN(C)CC1 44822563 HGJCZVYTPWKGGT-SECBINFHSA-N 209.293 0.747 30 20 BCED C#Cc1cccc(NC(=O)C(=O)NC2CC2)c1 48491004 RXADZPDETPKHHQ-UHFFFAOYSA-N 228.251 0.885 30 20 BCED CC(C)(C)CC(=O)NC/C(O)=N/c1ncn[nH]1 48913610 UBCRAUHKFVHUGZ-UHFFFAOYSA-N 239.279 0.945 30 20 BCED N#CCCCN1CCC(N2CCNC2=O)CC1 52216621 ZSWUERVRRLAYLP-UHFFFAOYSA-N 236.319 0.780 30 20 BCED CCN(C[C@H](C)C#N)S(=O)(=O)CCCOC 70847678 YLBYIWVFUTYZGV-SNVBAGLBSA-N 248.348 0.834 30 20 BCED N#CCN1CCN(c2ccc(C(N)=O)cc2)CC1 80645259 SRXCZVLXOJRRPH-UHFFFAOYSA-N 244.298 0.431 30 20 BCED C#CC(=O)NCCc1cccc(C(=O)O)c1 82599474 PQDYCXWZSDRUGU-UHFFFAOYSA-N 217.224 0.677 30 20 BCED N#CC1(C(=O)NCC(=O)NC2CC2)CCC1 83795066 DSTKWAKDGJBRDX-UHFFFAOYSA-N 221.260 0.075 30 20 BCED C[C@@H](C#N)S(=O)(=O)NC1CCCC1 83917738 FGJOQNRHMFKNLP-ZETCQYMHSA-N 202.279 0.760 30 20 BCED CS(=O)(=O)[C@@H](C#N)[C@H]1CCCCN1 87196366 VWHRLDGZDXIORK-SFYZADRCSA-N 202.279 0.065 30 20 BCED CCCOCC(=O)N1CCO[C@@H](C#N)C1 106042931 BFQIYSKFNLHFMI-VIFPVBQESA-N 212.249 0.164 30 20 BCED COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](C#N)C1CC1 108841155 VCRITKUGVQQFTO-VGMNWLOBSA-N 222.244 0.214 30 20 BCED C[C@@H](Oc1cccnc1)C(=O)NCC#N 117777376 ZNFQNKWTDVXIFH-MRVPVSSYSA-N 205.217 0.489 30 20 BCED CCSCCN1CCO[C@@H](C#N)C1 119339080 MUCBYALQBLGPOO-VIFPVBQESA-N 200.307 0.964 30 20 BCED C=CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 121594107 GWAPLQREJUQHDV-BBBLOLIVSA-N 231.317 0.802 30 20 BCED N#CCNC(=O)CSCc1ccncc1 126723411 MIWKLBHFPAEIEH-UHFFFAOYSA-N 221.285 0.955 30 20 BCED C[C@H](CC#N)N(C)C(=O)C[C@@H](N)C1CC1 129876764 QOEJHIPDBPMTLX-PSASIEDQSA-N 209.293 0.874 30 20 BCED CNC(=O)CCNc1cccnc1C#N 129965037 BVWKYZXHTNWZMP-UHFFFAOYSA-N 204.233 0.501 30 20 BCED N#CCN(CCN1C(=O)CCC1=O)C1CCCC1 151126059 XRDHFEFXASCFDP-UHFFFAOYSA-N 249.314 0.904 30 20 BCED C#CCOCCC(=O)N[C@@H](C)C1CCOCC1 157489664 LEBXWRNYNIFGEZ-NSHDSACASA-N 239.315 0.958 30 20 BCED C=CC[C@@H](C)NC(=O)C[C@H]1CNCCO1 158391090 WMLPYRXGWNJYFH-ZJUUUORDSA-N 212.293 0.446 30 20 BCED CN(CC1(O)CCOCC1)c1ccc(C#N)nc1 161612121 NCKPRVLMSSTYGF-UHFFFAOYSA-N 247.298 0.931 30 20 BCED N#Cc1ccnc(N2CCC[C@@H](O)C2)c1[N+](=O)[O-] 167479209 LGMCLKINHZDRCL-SECBINFHSA-N 248.242 0.823 30 20 BCED C=CCNC(=S)N1CC[C@H](C(=O)O)C1 170304906 RKIWOYVQZADWCU-ZETCQYMHSA-N 214.290 0.453 30 20 BCED CC1(C)[C@H]2CN(CC(=O)NCC#N)C[C@@H]21 172958193 WXCVSZUJMRLOOM-IUCAKERBSA-N 207.277 0.214 30 20 BCED C=CCCC(=O)NC[C@](C)(O)CCOC 174906106 QMMWMLZXGKULOW-LLVKDONJSA-N 215.293 0.856 30 20 BCED C#CCCCNS(=O)(=O)CCCF 175595141 WPWXZFDKNFRLKI-UHFFFAOYSA-N 207.270 0.679 30 20 BCED N#C[C@@H]1COCCN1C(=O)CC(F)(F)F 175890742 IYRKRTWNAPIRCD-ZCFIWIBFSA-N 222.166 0.690 30 20 BCED Cn1cc(CN2CCOC[C@H]2C#N)cn1 177118714 KCIHKABTPXEZQG-SNVBAGLBSA-N 206.249 0.144 30 20 BCED C#CCOCCC(=O)N[C@@H](C)c1cn(C)nc1C 178855897 BNJLLSVQOHPAJF-JTQLQIEISA-N 249.314 0.946 30 20 BCED CC(C)N(C)CCNC(=O)c1c[nH]c(C#N)c1 181272586 ITDXCNSOYFGDIR-UHFFFAOYSA-N 234.303 0.956 30 20 BCED CC[C@H](O)CCNC(=O)NC[C@@H](C)C#N 182834961 MTKXIHRRYVITNV-IUCAKERBSA-N 213.281 0.606 30 20 BCED CC[C@@H](CC#N)NS(=O)(=O)CCCC#N 186433139 ZOUFTJOLYZFNMM-VIFPVBQESA-N 229.305 0.902 30 20 BCED N#C[C@H]1COCCN1CC[C@H]1CCCO1 189692482 MSPULHPCBZHSRU-WDEREUQCSA-N 210.277 0.780 30 20 BCED CSC1(C/N=C(\N)N2CCOCC2)CCC1 193299452 QFSWYXISRHLQML-UHFFFAOYSA-N 243.376 0.919 30 20 BCED CC(C)[C@@](C)(C#N)NC(=O)C(=O)c1cnn(C)c1 195161893 CWKKHWLTSWXBHH-GFCCVEGCSA-N 248.286 0.657 30 20 BCED CN1CC[C@H](N2CCC(C)(C#N)CC2)C1=O 227352832 VPNCHLGIDXDNRT-JTQLQIEISA-N 221.304 0.843 30 20 BCED C#CCCCNCc1cnc(N(C)C)n1C 229819532 BWBFESGZDVAPRA-UHFFFAOYSA-N 220.320 0.989 30 20 BCED CC[C@](C)(C#N)C(=O)N[C@@H](C)c1nnc[nH]1 230418094 JRZLRIYFRNBQLI-OIBJUYFYSA-N 221.264 0.922 30 20 BCED C[C@@H](O)[C@@H](C)SCC(=O)NCC#N 231191324 LXVZSQJZYYFJMB-RNFRBKRXSA-N 202.279 0.129 30 20 BCED Cc1cc(C#N)nc(N[C@H]2CCCNC2)n1 231942717 RMCPXANQMZRKIM-VIFPVBQESA-N 217.276 0.821 30 20 BCED C#C[C@H](CC)NS(=O)(=O)c1cccnc1 234035064 WJFDQSYORLVKKG-SECBINFHSA-N 224.285 0.772 30 20 BCED COCCCNC(=O)c1cnccc1C#N 259011129 RFPNSOMVZKEFGI-UHFFFAOYSA-N 219.244 0.720 30 20 BCED CN(C)C(=NCCNc1ccncc1)N(C)C 262026105 ZNMBNLZSVMQGRF-UHFFFAOYSA-N 235.335 0.973 30 20 BCED C=CC1CCN(CC(=O)NCC(=O)O)CC1 262293966 ZEWPCCWHBOENNW-UHFFFAOYSA-N 226.276 0.085 30 20 BCED COC1(CC/N=C(\N)N2CCC2)CCC1 263114943 LJGSQVFUSVTLPT-UHFFFAOYSA-N 211.309 0.966 30 20 BCED C[C@H]1CCCN(/C(N)=N/CCn2ccnc2)C1 263252131 PHJDLCNRGLZVTH-NSHDSACASA-N 235.335 0.930 30 20 BCED CN/C(N)=N/C[C@@H](c1cccc(F)c1)N(C)C 264125511 SBHOKDCGXOHBRQ-NSHDSACASA-N 238.310 0.963 30 20 BCED CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C#N)C(C)C 265366665 YIFGTHUNRQHFKR-GHMZBOCLSA-N 237.303 0.662 30 20 BCED C=C(Cl)CNC(=O)CCCNC(=O)OC 265598904 ZHSVKPZSRIQRFI-UHFFFAOYSA-N 234.683 0.991 30 20 BCED Cn1cc(CCN2CCOC[C@H]2C#N)cn1 266876660 UJGLKUYQSPJVCO-LLVKDONJSA-N 220.276 0.187 30 20 BCED COC[C@@](C)(C#N)NC(=O)c1cccn1C 268481188 JEVNJFKICFTAHX-LLVKDONJSA-N 221.260 0.684 30 20 BCED C#CCSCCNS(=O)(=O)NC(C)C 272168043 HGQBQVLCFFSUTB-UHFFFAOYSA-N 236.362 0.185 30 20 BCED C=C(C)[C@H](CC(=O)NCCOC(N)=O)OCC 273036060 FJNDEOZDUDEIDV-VIFPVBQESA-N 244.291 0.569 30 20 BCED C#C[C@@H](C)NC(=O)[C@H]1CCc2[nH]ncc2C1 274710589 ZWIFVKMGCKBMBH-BDAKNGLRSA-N 217.272 0.653 30 20 BCED C#C[C@H](C)NC(=O)CC(=O)NCC(F)(F)F 274712403 AKUNMDFMCLZEOJ-LURJTMIESA-N 236.193 0.193 30 20 BCED C#C[C@H](C)NC(=O)N(C)CCc1cnccn1 274871737 ZKYMANOOMYVYAN-JTQLQIEISA-N 232.287 0.682 30 20 BCED CC(CO)(CO)NC(=O)c1cc(C#N)cs1 274887829 CAMIKSALQJYPPP-UHFFFAOYSA-N 240.284 0.093 30 20 BCED C=CCCS(=O)(=O)N(CC)[C@@H]1CCNC1=O 282633971 SVAKMHWAPNTYCB-SECBINFHSA-N 246.332 0.103 30 20 BCED N#Cc1ncn(CCNC[C@H]2C[C@H]3C=C[C@H]2C3)n1 285507271 NFGIMSAFHJOILY-SDDRHHMPSA-N 243.314 0.952 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@@H](O)C1(C)C 290307187 ALHLAMXSVBNOCQ-LNLATYFQSA-N 227.304 0.589 30 20 BCED C#CCONC(=O)c1ocnc1C1CC1 291217824 JCGTVEBEUSQDNO-UHFFFAOYSA-N 206.201 0.847 30 20 BCED Cc1nc(NCC2(CO)COC2)ccc1C#N 292041181 VHEUDRCYWPHHKG-UHFFFAOYSA-N 233.271 0.683 30 20 BCED C#CCNC(=O)CCN1C[C@H](C)OC[C@H]1C 293411603 IEEIOCDDXIXJBF-MNOVXSKESA-N 224.304 0.235 30 20 BCED C=CCNC(=O)CN[C@@H]1CCOC1(C)C 294584588 CMPWAIFZCMWVFW-SECBINFHSA-N 212.293 0.446 30 20 BCED C=CCNC(=O)CN1CCC[C@H](C)[C@H]1C(=O)O 300271328 IQGIHMLNLWSHGV-ONGXEEELSA-N 240.303 0.474 30 20 BCED C#C[C@@H](NS(=O)(=O)CCOC(C)C)C(C)C 300957546 QNBWJFZFAKPCBF-LLVKDONJSA-N 247.360 0.989 30 20 BCED COCc1cc(N(C)CCC#N)n2ncnc2n1 301055932 DUBWAUOVZDHTBJ-UHFFFAOYSA-N 246.274 0.621 30 20 BCED CN1CCN(c2c(C#N)cccc2C#N)CC1=O 302879721 HVQYKJDVQUNSJM-UHFFFAOYSA-N 240.266 0.708 30 20 BCED C=CCOCCNC(=O)c1cc(C(=O)O)on1 304193273 AWWQSEYBHBIGCJ-UHFFFAOYSA-N 240.215 0.305 30 20 BCED CC/N=C(/N)NC[C@@H](OC)C(C)(C)C 304705284 WRMMYIILYKIGRN-MRVPVSSYSA-N 201.314 0.972 30 20 BCED CCCCN(C)CC/N=C(/N)N[C@@H](C)COC 304755828 NCWNTVIGBDCKOX-NSHDSACASA-N 244.383 0.658 30 20 BCED C=C[C@H](CO)Nc1cn[nH]c(=O)c1Cl 306373013 RQZIBFLMIOONJA-RXMQYKEDSA-N 215.640 0.382 30 20 BCED C#CCNC(=S)NC[C@@H](CC)OC 308491843 RNRPNVWVPDBPCA-MRVPVSSYSA-N 200.307 0.509 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](CO)CCOC 308743244 MYCZGELPSXSWIY-RKDXNWHRSA-N 214.265 0.050 30 20 BCED C=CCS(=O)(=O)CCN[C@@H](COC)C1CC1 309666132 UDWSZRVBKFALBC-NSHDSACASA-N 247.360 0.602 30 20 BCED CCN1CCOC[C@@H]1/C(O)=N/C1CCOCC1 329099229 ZBCXOBMEZNDXSG-LLVKDONJSA-N 242.319 0.843 30 20 BCED COc1cc(/C(O)=N/[C@@]2(CO)CCOC2)on1 330915622 ZEXXFSMZAKBDPD-SNVBAGLBSA-N 242.231 0.139 30 20 BCED CC(C)[C@@H](C(=O)NCCC#N)N1CCCC1=O 331178988 HFCCCYMEQXJNFN-NSHDSACASA-N 237.303 0.663 30 20 BCED CN(CCCO)/C(O)=N/C[C@@]1(C)CCOC1 331271485 NLRQQDXCWARRRZ-LLVKDONJSA-N 230.308 0.641 30 20 BCED C[C@H](C#N)NC(=O)CCCNC(=O)C1CC1 331750955 KBBFMOPDZCEARL-MRVPVSSYSA-N 223.276 0.321 30 20 BCED C[C@H](CO)[C@H](C)NC(=O)NCC1(CC#N)CC1 331788414 UMWNJNCLDQTHOL-ZJUUUORDSA-N 239.319 0.996 30 20 BCED CCC1(O)CN(C(=O)c2ccc(C#N)c(O)c2)C1 331894137 DLZDKUGQEPZLOI-UHFFFAOYSA-N 246.266 0.861 30 20 BCED N#C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CCCN1 333793882 MVTGXCIXTTVOFP-GARJFASQSA-N 236.319 0.730 30 20 BCED CN(CC(C)(C)C#N)C(=O)[C@H]1CCC(=O)N1C 334346332 QAGLZSWFVNNTQX-SECBINFHSA-N 237.303 0.615 30 20 BCED CN(C(=O)N[C@H]1CCC[C@@H]1C#N)C1CC(O)C1 336524630 RRZMDWKOZYCTFJ-SFXRXQKFSA-N 237.303 0.843 30 20 BCED C=C(C)[C@H](CC(=O)N[C@@H](C)CC(N)=O)OCC 339365126 XQOQKSHUVQPSQG-UWVGGRQHSA-N 242.319 0.738 30 20 BCED Cn1nc(C(=O)NCC#N)c(=O)c2ccccc21 339926374 JRUINWVSXOLLFY-UHFFFAOYSA-N 242.238 0.187 30 20 BCED CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CC#N 341079439 JLJWWIQJGOAFDK-MWLCHTKSSA-N 239.319 0.956 30 20 BCED Cc1cc(C(=O)NCC(=O)NCC#N)ccc1O 344184769 SGHQEQLGWNSHIR-UHFFFAOYSA-N 247.254 0.070 30 20 BCED C=C(CNC(=O)CCNC(N)=O)c1ccccc1 345760330 UIBJTYMEOGEVAP-UHFFFAOYSA-N 247.298 0.874 30 20 BCED C[C@H](C#N)NC(=O)CN(C)[C@H]1CCSC1 347561954 MADGDFIRVSOEAP-BDAKNGLRSA-N 227.333 0.452 30 20 BCED C=CCOCCCN1CCN(C(C)=O)CC1 347968403 JTMWNNWMRGYRBS-UHFFFAOYSA-N 226.320 0.743 30 20 BCED C=CCOCCCN1C[C@H](C)O[C@@H](C(N)=O)C1 348027843 FWUGQOJLZVYLGV-WDEREUQCSA-N 242.319 0.154 30 20 BCED N#CCCCNC(=O)NCCOCC(F)F 349571530 VSUFQBMAYNGWHQ-UHFFFAOYSA-N 235.234 0.871 30 20 BCED CC(C)NC(=O)CNC(=O)NCC(C)(C)C#N 349622104 BEKLODARWIFJLS-UHFFFAOYSA-N 240.307 0.360 30 20 BCED CCN(CCC#N)CCN1CCOC[C@H]1C 351496528 XCFKABUECWISKU-GFCCVEGCSA-N 225.336 0.943 30 20 BCED C=CCCC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C 352198597 XITXWOVYEUMZLY-VXGBXAGGSA-N 240.347 0.866 30 20 BCED C=CCCC1(C(=O)N(C)CC(N)=O)CC1 354606344 RVZGBVSBRPXGRF-UHFFFAOYSA-N 210.277 0.677 30 20 BCED CCOC(=O)[C@@](C)(O)CN(CC)CC#N 354851831 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OGSACPQPXXQGAT-JTQLQIEISA-N 246.266 0.886 30 20 BCED Nc1ncccc1C=NN1CCCC1=O 380032212 QPTCQECFHMBZQF-UHFFFAOYSA-N 204.233 0.620 30 20 BCED C#CCCCNC(=O)c1ccc(C(=O)O)[nH]1 381225521 JUKNSXHIUYBUEG-UHFFFAOYSA-N 220.228 0.856 30 20 BCED C=C[C@H](NCc1nnc(CC)s1)C(=O)OC 381338323 WORUAOCGKSVUCX-ZETCQYMHSA-N 241.316 0.918 30 20 BCED C=C[C@H](NCC(C)(C)C(=O)OC)C(=O)OC 390427765 XPTLIBDGEBTUSH-QMMMGPOBSA-N 229.276 0.503 30 20 BCED COCCOCc1noc(CSCC#N)n1 395434236 NWAQLXZPOCJURN-UHFFFAOYSA-N 243.288 0.989 30 20 BCED C=C[C@@H](C)ONC(=O)CNCC(F)(F)F 400866335 BRKFEVQAXQGHFE-ZCFIWIBFSA-N 226.198 0.761 30 20 BCED CC(C)(C#N)CC(=O)NC[C@]1(O)CCOC1 407995600 LCVPYCOFZGQEEY-LLVKDONJSA-N 226.276 0.194 30 20 BCED CNC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCO1 408384581 ZVRZWIQYMLWSTB-MXWKQRLJSA-N 237.303 0.125 30 20 BCED C=CCSCCNC(=O)NCC(C)(C)N 417315447 BRAOZPPIVYPTMG-UHFFFAOYSA-N 231.365 0.942 30 20 BCED COC[C@@](C)(NCc1cccc(C#N)n1)C(=O)O 417588670 PEEMHJQNNCQKNB-GFCCVEGCSA-N 249.270 0.533 30 20 BCED 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C#CCSCCNC(=O)CCCOC 130215391 ALQKNQUNKYHOMA-UHFFFAOYSA-N 215.318 0.896 30 20 BCED C#CCSCCNC(=O)Cc1cnn(C)c1 130407017 FAFXVVRPWQRGJO-UHFFFAOYSA-N 237.328 0.445 30 20 BCED CN(C)C(=O)N1CCC(NCCC#N)CC1 132807506 ZCWLDXGQIZYEBH-UHFFFAOYSA-N 224.308 0.636 30 20 BCED C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C)C[C@H]1C 133644554 DQSFSSMYKKWQIA-GRYCIOLGSA-N 239.363 0.607 30 20 BCED N#Cc1nccnc1NCC(=O)N1CCCC1 134500248 HPBBVYXRKZIUCH-UHFFFAOYSA-N 231.259 0.383 30 20 BCED C[C@H](CC(N)=O)NC[C@H](O)c1ccc(C#N)cc1 136113303 GHYWRXBTMUIDNE-SKDRFNHKSA-N 247.298 0.445 30 20 BCED CC[C@](C)(C#N)C(=O)NCCCc1nnc[nH]1 136260685 HWDRHVLBWCBFPK-LLVKDONJSA-N 235.291 0.793 30 20 BCED C=CCCOCC(=O)Nc1cnn(CC#N)c1 139262718 GPOIPQWJRWVIJO-UHFFFAOYSA-N 234.259 0.938 30 20 BCED C#C[C@H](OC(=O)CCCCNC(N)=O)C1CC1 152871468 CEJJEUMZGKUJPM-JTQLQIEISA-N 238.287 0.780 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@H]1CCCCO1 153023530 VGYDEYJIWZSRPG-KOLCDFICSA-N 226.276 0.600 30 20 BCED C=C(C)CNS(=O)(=O)CCCOC 153402186 MMEFESZYWISQGG-UHFFFAOYSA-N 207.295 0.518 30 20 BCED CN(CCc1nccs1)CC(=O)NCC#N 157572878 KJNSBRBQVLULQG-UHFFFAOYSA-N 238.316 0.257 30 20 BCED CCc1cc(C(=O)NC2(C#N)CC2)[nH]n1 160725529 VGVQPQBXYRCZJR-UHFFFAOYSA-N 204.233 0.758 30 20 BCED N#Cc1ccc(N[C@@H]2COC[C@H]2O)c(F)c1 168331912 RPTDMJUQAXDSJF-GHMZBOCLSA-N 222.219 0.869 30 20 BCED C#CCOCCC(=O)N[C@H](C)c1cn(C)nc1C 178855883 BNJLLSVQOHPAJF-SNVBAGLBSA-N 249.314 0.946 30 20 BCED CC[C@H](C#N)NC(=O)[C@H](C)N1CCSCC1 179164627 ZXLSABFJJZSHMB-VHSXEESVSA-N 241.360 0.842 30 20 BCED C=CCN(CC=C)C(=O)[C@H](C)ONC(C)=O 180801241 BZBBQLFBXGFYJT-VIFPVBQESA-N 226.276 0.643 30 20 BCED C#C[C@H](C)NC(=O)c1cccc(NC(N)=O)c1 185355722 KTGJZUTYUVXEHU-QMMMGPOBSA-N 231.255 0.929 30 20 BCED CC[C@@H](C)NC(=O)CO/N=C(\N)C(C)C 185462586 DXJXHYAOQLAJPM-MRVPVSSYSA-N 215.297 0.846 30 20 BCED C=CC[C@@H](C)NC(=O)N1CCN(C)C(=O)[C@@H]1C 186730008 JCUMMGDIZRYCRO-ZJUUUORDSA-N 239.319 0.823 30 20 BCED CC(C)NC(=O)CCNCc1cc(C#N)n(C)c1 189597236 PXYQCNSVXQEMKD-UHFFFAOYSA-N 248.330 0.901 30 20 BCED C#CCN(C)C(=O)c1c(OC)ncnc1OC 191119242 REUOXXLMHLGORG-UHFFFAOYSA-N 235.243 0.199 30 20 BCED C#CCN(C)[C@H](C)C(=O)N(C)CCC#N 192232699 PLDCEBRBXSGSPC-SNVBAGLBSA-N 207.277 0.312 30 20 BCED CNS(=O)(=O)CCN[C@@H]1CCC[C@H](C#N)C1 193330443 LHNKJHDSOVWDPI-VHSXEESVSA-N 245.348 0.208 30 20 BCED COCC[C@@H](C)NC(=O)CSCC#N 194891820 PMJUHQBHKDBNNR-MRVPVSSYSA-N 216.306 0.784 30 20 BCED N#C[C@H]1CN(C[C@@H]2CCCCO2)CCO1 223161041 FLRSZDVHZFGISX-QWRGUYRKSA-N 210.277 0.780 30 20 BCED Cc1nnc(NCC(C)(C)C(N)=O)c(C#N)c1C 225740042 ZQZCZJMDKXLNFE-UHFFFAOYSA-N 247.302 0.889 30 20 BCED CC[C@H](C#N)C(=O)N1CC[C@H](NC(C)=O)C1 228256648 BFMPCOPTWUAEEG-ZJUUUORDSA-N 223.276 0.273 30 20 BCED C=C[C@H](C)NC(=O)N1CCO[C@@H](C(=O)O)C1 229262992 XGKIGBXEBVFLEG-JGVFFNPUSA-N 228.248 0.056 30 20 BCED C#C[C@H](CCC)NS(=O)(=O)CCCOC 233357364 KIQRGIUBOVECDP-SNVBAGLBSA-N 233.333 0.744 30 20 BCED COc1ncccc1C/N=C1/NC[C@@H](C)N1 261571036 HIJJOAWEOGVARE-MRVPVSSYSA-N 220.276 0.528 30 20 BCED COC[C@H](C)N/C(N)=N/C[C@H]1CCO[C@@H](C)C1 262024822 ZBSXPFKRZXJDTM-DCAQKATOSA-N 243.351 0.741 30 20 BCED COC(=O)c1ccc(C/N=C(/N)NC2CC2)o1 262182609 FSMABNOQEDQGMP-UHFFFAOYSA-N 237.259 0.633 30 20 BCED Cc1cc(C/N=C2\NC[C@H](C)N2)n(C)n1 262678283 UURXYFSFAHMWRB-QMMMGPOBSA-N 207.281 0.166 30 20 BCED CO[C@H](C/N=C1/NC[C@H](C)N1)C(C)(C)C 262687741 ZBFBAEJHQBHCHX-DTWKUNHWSA-N 213.325 0.985 30 20 BCED CCN/C(N)=N/C[C@@H](O)c1cccc(F)c1 264082395 HXMOOZRVRNSPEY-SNVBAGLBSA-N 225.267 0.783 30 20 BCED C=C(Cl)CNS(=O)(=O)C[C@@H]1CCOC1 265473532 LVNLFOIBDSPEIM-MRVPVSSYSA-N 239.724 0.695 30 20 BCED CC1(C#N)CCN(C[C@@H](O)Cn2cccn2)CC1 272488967 BXMGKJVJJSFSSH-GFCCVEGCSA-N 248.330 0.870 30 20 BCED C=CCOCCCC(=O)NC[C@@H](COC)OC 272746286 NQIJDLOWZPHYPI-NSHDSACASA-N 245.319 0.747 30 20 BCED C#CCCn1ncc(C(=O)OCC)c1C#N 273501221 RUUXBAKRVVTGLU-UHFFFAOYSA-N 217.228 0.955 30 20 BCED C[C@@H](CC#N)N(C)C(=O)c1coc(C(N)=O)c1 273703815 OHTVRTCZGFZMQX-ZETCQYMHSA-N 235.243 0.753 30 20 BCED C#CCC(C)(C)C(=O)N[C@@H](C)C(=O)NCC 274314182 YNPLOYASLHBOTJ-VIFPVBQESA-N 224.304 0.677 30 20 BCED C#C[C@H](C)NC(=O)NCCOCC1CC1 274864010 YADGJSBUMAOXOP-VIFPVBQESA-N 210.277 0.734 30 20 BCED CC(=O)N1CC(C(=O)N[C@H](C#N)C(C)C)C1 276723396 WYIYTJIBZNUBSD-SNVBAGLBSA-N 223.276 0.129 30 20 BCED CC#CC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 277596512 GNLDMHXUTJMVTH-DTWKUNHWSA-N 231.317 0.290 30 20 BCED CC(=O)NCC(=O)N1CCCC(C)(C)[C@@H]1C#N 277925636 NKSYEADBZOIHCK-JTQLQIEISA-N 237.303 0.663 30 20 BCED C=CCN(CC=C)C(=O)[C@@H](O)c1cnn(C)c1 283005331 VWPQKGPRGLNXHH-NSHDSACASA-N 235.287 0.654 30 20 BCED C#CCCCCNC(=O)COCc1ccnn1C 285383141 UOBOFYPPQQYMMP-UHFFFAOYSA-N 249.314 0.856 30 20 BCED CC(C)[C@@](C)(NC(=O)c1c[nH]c(C#N)c1)C(N)=O 287853907 LUHDGRPRDHCNNI-GFCCVEGCSA-N 248.286 0.516 30 20 BCED C#CCN(CC#N)C(=O)Cn1cc(Cl)cn1 287962439 ICTYKHBAIFZOPZ-UHFFFAOYSA-N 236.662 0.522 30 20 BCED C=CCCN(C)C(=O)C(=O)NC[C@H](C)SC 288367965 WZGIEVCNYMRXRB-VIFPVBQESA-N 244.360 0.889 30 20 BCED C=C[C@@H](CO)NC(=O)NOC[C@@H](C)CC 291928387 SJLOZWMPXZSFEH-IUCAKERBSA-N 216.281 0.810 30 20 BCED C#CCN(C)C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC 292836838 FQKCNWTWJUEDEA-OUAUKWLOSA-N 240.303 0.453 30 20 BCED C=CCCN1CCC[C@@H](n2cc(CO)nn2)C1 292868171 CXYSAAWSLDQNIR-GFCCVEGCSA-N 236.319 0.983 30 20 BCED C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C)CC#N)C1 292965688 JVVKTUFBVBKPNX-YIZRAAEISA-N 223.276 0.319 30 20 BCED C#CCO[C@H](C)C(=O)N(CC)Cc1cnn(C)c1 294816356 VTNVRISPDREEPR-LLVKDONJSA-N 249.314 0.807 30 20 BCED C=CCCO[C@@H](C)C(=O)NC[C@@H](N)CC 295360029 ZLSPXXGDOWSGKW-UWVGGRQHSA-N 214.309 0.821 30 20 BCED C=C[C@@H](C(=O)O)N(C)CC(=O)NC(C)C 301046238 ONXUVHYQPYNFKG-QMMMGPOBSA-N 214.265 0.082 30 20 BCED C=C[C@@H](C(=O)OC)N(C)Cc1nccn1C 301047425 PNXWPJLOLDXXJC-VIFPVBQESA-N 223.276 0.580 30 20 BCED Cc1nc(C#N)cc(N2CC[C@H]([C@@H](C)O)C2)n1 308375541 NEICLHCCBGJIJB-SCZZXKLOSA-N 232.287 0.864 30 20 BCED C=C[C@H](COC)Nc1ncnc2[nH]ncc12 309990358 ZYAMPWNURYKNAR-SSDOTTSWSA-N 219.248 0.966 30 20 BCED N#Cc1nccc(NC[C@@H](O)C2CCC2)n1 315887867 RIRQMWQBHQHASU-SECBINFHSA-N 218.260 0.921 30 20 BCED CNC(=O)C[C@H](C)Nc1nccnc1C#N 322815158 CPYVMCKEQSUKAC-ZETCQYMHSA-N 219.248 0.285 30 20 BCED CN1CC[C@H](/N=C(/O)Cc2ccncc2)C1=O 329370379 IQZVVHVNQNQBBM-JTQLQIEISA-N 233.271 0.811 30 20 BCED C[C@H]1C[C@@H](O)CCN1/C(O)=N/[C@@H]1[C@H]2COC[C@H]21 330229110 VQJLZHDCIGWACN-LADJIXMOSA-N 240.303 0.390 30 20 BCED C[C@@H](NC(=O)C1CCCCC1)C(=O)NCC#N 330766310 UVGHNZWCDQINPK-SECBINFHSA-N 237.303 0.711 30 20 BCED CC[C@@H](C)N(C)/C(O)=N/Cc1nnn(C)n1 331173625 GCUPEVYAFPEJOF-SSDOTTSWSA-N 226.284 0.354 30 20 BCED C[C@H](CNC(=O)NCCC#N)N(C)C1CC1 331758705 MUFCZAXFOFBQAL-SECBINFHSA-N 224.308 0.682 30 20 BCED CSCC[C@@H](O)C(=O)N[C@H](C)CC#N 332470088 LHAPPRQJQXYYRB-HTQZYQBOSA-N 216.306 0.519 30 20 BCED CCNC(=O)CC(=O)N[C@H](C#N)C(C)(C)C 332511256 XRYXTVNMLUPVAF-MRVPVSSYSA-N 225.292 0.567 30 20 BCED N#CC1(NC(=O)Cn2cccc(F)c2=O)CCC1 335463171 PURCAOJPAMKHDG-UHFFFAOYSA-N 249.245 0.550 30 20 BCED Cc1cnn(CC(=O)N2CC(C)(C#N)C2)c1 335784067 QHZUDYWHAJYUAM-UHFFFAOYSA-N 218.260 0.564 30 20 BCED Cn1cc(CN2C[C@@H](F)C[C@@H]2CO)cc1C#N 336089706 NZENSYJTFDXBKH-CMPLNLGQSA-N 237.278 0.801 30 20 BCED C=CCN1CC[C@@H](N(CC)CC(C)(C)O)C1=O 337200152 ZMGQQCQBCMYLMM-LLVKDONJSA-N 240.347 0.866 30 20 BCED C=CCCC(=O)Nc1ccn(CCOC)n1 338661136 IEHNQYRLWKULDL-UHFFFAOYSA-N 223.276 1.434 30 20 BCED N#CCCOCCN1CCC[C@@H]2C(=O)NC[C@@H]21 339154724 LHDUCDVWFZRSPH-QWRGUYRKSA-N 237.303 0.127 30 20 BCED CN(CC#N)C(=O)CNc1ccc(C#N)cc1 339225752 IDMQZMSJIUZIES-UHFFFAOYSA-N 228.255 0.952 30 20 BCED C=CC[C@@H](CO)CNC(=O)N[C@H](C)COC 341855738 WUKKVEIDYTUXEH-NXEZZACHSA-N 230.308 0.505 30 20 BCED C=CC[C@H](C)NC(=O)NC[C@@H]1COCCO1 342110219 YBOJZTWJCKVKLF-VHSXEESVSA-N 228.292 0.666 30 20 BCED N#C[C@H]1CSCCN1C(=O)c1cnc[nH]1 342217761 MVUXFFWSEMEZPK-ZETCQYMHSA-N 222.273 0.491 30 20 BCED C=CCCO[C@H](C)C(=O)N(C)[C@@H]1COC[C@@H]1O 342344212 JKFANFLFKAEVNW-MXWKQRLJSA-N 243.303 0.186 30 20 BCED C[C@H](CO)CNC(=O)c1cnccc1C#N 342959569 KCEQQJOOXRNGJT-QMMMGPOBSA-N 219.244 0.311 30 20 BCED CN(c1ccnc(C#N)c1)[C@H]1COC[C@H]1O 343624814 IAUDWQKREOUSJZ-WDEREUQCSA-N 219.244 0.149 30 20 BCED Cc1ccc(C(C)(C)NCC(=O)NCC#N)cn1 353581998 NUVVFYQUWIDRDN-UHFFFAOYSA-N 246.314 0.855 30 20 BCED C=CCOCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 356405725 LLIPPDCBBKBTBM-NEPJUHHUSA-N 240.347 0.988 30 20 BCED N#Cc1cc(C(=O)NC[C@@H](CO)C2CC2)ccn1 358350562 LCNJRWCSANYXJE-NSHDSACASA-N 245.282 0.702 30 20 BCED C=CCOCC(=O)NC[C@](C)(O)CC 359253302 STMPCVFGWGWPLR-SNVBAGLBSA-N 201.266 0.466 30 20 BCED C=CCOC[C@H](NC(=O)N(C)C)C(=O)OC 360617418 FVRBFNZLNMUNAZ-QMMMGPOBSA-N 230.264 0.002 30 20 BCED N#Cc1ccnc(N2CCN3C(=O)OC[C@@H]3C2)c1 368544112 IXANJCUKABXJPH-JTQLQIEISA-N 244.254 0.594 30 20 BCED CC(=NNCC(=O)O)c1cc(C)nn1C 378739080 IBKWDTPTDYLVLQ-UHFFFAOYSA-N 210.237 0.127 30 20 BCED CCN(CC)C(=O)CN(C)CCO[C@@H](C)C#N 379915935 OIHONLFCJOOUIN-NSHDSACASA-N 241.335 0.715 30 20 BCED CC1CC(C#N)(C(=O)NCc2cnc(O)[nH]2)C1 380153831 JDXZXUULWQHQAU-UHFFFAOYSA-N 234.259 0.671 30 20 BCED C[C@H](CC#N)NCc1nnnn1C1CC1 393618452 HNBWVJLITVHRQS-SSDOTTSWSA-N 206.253 0.400 30 20 BCED C#C[C@](C)(CC)NCC[C@H]1CCNC1=O 395879431 BSDACEULMDHBLC-ZYHUDNBSSA-N 208.305 0.904 30 20 BCED CC(C)(C)NC(=O)CN=c1cc[nH]cc1C#N 399617987 YDRGHLNKKWFBJW-UHFFFAOYSA-N 232.287 0.702 30 20 BCED N#Cc1nccnc1N1CCC(CCO)CC1 400827147 CECJSBUAILQGIX-UHFFFAOYSA-N 232.287 0.947 30 20 BCED N#Cc1cncc(N[C@@H]2CCN(C3CC3)C2)n1 401232385 OJUDSXNFMIGBRZ-SECBINFHSA-N 229.287 0.997 30 20 BCED CCCN(C)S(=O)(=O)N(C)C[C@@H](C)C#N 407953475 LUDLEXHGDSTGSN-VIFPVBQESA-N 233.337 0.664 30 20 BCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCOCC1 408000925 KIWOQJJNZQXRPL-SNVBAGLBSA-N 237.303 0.270 30 20 BCED C=C[C@@H](C)NC(=O)N[C@@H](CCN)C(F)F 418746791 YASFGWQXRIWKDE-RQJHMYQMSA-N 221.251 0.843 30 20 BCED C=C[C@@H](CO)NC(=O)c1c(C)cc(C)nc1O 426845618 NJVYJRRLGAGCJZ-VIFPVBQESA-N 236.271 0.681 30 20 BCED N#CCNC(=O)CN[C@@H]1Cc2cccc(O)c2C1 429298215 DUCPRLJTRJVOSG-SNVBAGLBSA-N 245.282 0.089 30 20 BCED C=C(C)CS(=O)(=O)N[C@@H]1CCN(C2CC2)C1 435429498 XEDXUIQXFKQUJN-SNVBAGLBSA-N 244.360 0.719 30 20 BCED C=C[C@H](C)NC(=O)NCC1([S@](C)=O)CC1 441091876 OBQRNSUMCFQVAX-AYVTZFPOSA-N 230.333 0.771 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(OCC)C1 452170108 PDSJDMGGTKSJBH-MNOVXSKESA-N 225.288 0.825 30 20 BCED C=CCC[C@H](CO)NC(=O)COCC=C 456781052 SEWAUQNJIGHEPF-SNVBAGLBSA-N 213.277 0.632 30 20 BCED CC(C)C[C@@H]1C[C@H]1NC(=O)Cn1cnc(C#N)n1 457989756 KWURSHDBRDYGOM-NXEZZACHSA-N 247.302 0.701 30 20 BCED C=C(CC)CNC(=O)NC[C@]1(O)CCOC1 459093620 NXYYKGFGZMDODK-LLVKDONJSA-N 228.292 0.403 30 20 BCED CN1CCC(CC(=O)NCCC#N)CC1 487509541 ZUFOWIWQASMHTH-UHFFFAOYSA-N 209.293 0.748 30 20 BCED C=C[C@@H](C)NC(=O)N1CCN(C)C(=O)[C@H]1C 488487954 ZTHFIHQEHCGIEG-RKDXNWHRSA-N 225.292 0.433 30 20 BCED C#CCN(CC)C(=O)N[C@@H]1CCN(C(C)=O)C1 490804571 YDBRJNRTIOBHRG-LLVKDONJSA-N 237.303 0.272 30 20 BCED C#CCN(CC)[C@@H](C)C(=O)NC(=O)NCC 490851002 DNBATCZOLOSXDH-VIFPVBQESA-N 225.292 0.176 30 20 BCED C#CCNC(=O)c1ccc(C(C)=O)c(O)c1 491095082 JLWLGEWBOQMQKO-UHFFFAOYSA-N 217.224 0.958 30 20 BCED C#C[C@H](CCC)NC(=O)[C@H](C)CS(C)(=O)=O 491392255 BIDSEMYBMCYGJQ-NXEZZACHSA-N 245.344 0.585 30 20 BCED C#CCN1CCC(C(=O)N[C@H](C#C)CC)CC1 491679448 FGMHWCJKKFYTQJ-CYBMUJFWSA-N 232.327 0.860 30 20 BCED C#C[C@@H](CC)NC(=O)CCNC(=O)OCC 491689385 IFCCTOKWYIZQIW-VIFPVBQESA-N 226.276 0.651 30 20 BCED C#C[C@H](NC(=O)NC[C@@](C)(O)COC)C(C)C 491733291 DGDOJAIXRPTMAE-CMPLNLGQSA-N 242.319 0.341 30 20 BCED C#CCNC(=O)CCN1CCC[C@H]1C(C)(C)O 491779159 ZCRRUDYVQLJAJV-NSHDSACASA-N 238.331 0.361 30 20 BCED C#C[C@H](NC(=O)N[C@H]1[C@@H]2CNC[C@@H]21)C(C)C 491805586 OLLRBFXQVKBMTP-ZRUFSTJUSA-N 221.304 0.161 30 20 BCED C#CCN(CC#N)C(=O)Cc1cc(C)no1 491821575 WXUSMKDXHLEZKY-UHFFFAOYSA-N 217.228 0.511 30 20 BCED CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)CC#N 496602520 HUKLQRXUEQXLOV-IUCAKERBSA-N 241.291 0.739 30 20 BCED C=C(CC)CNC(=O)[C@H]1NC(=O)O[C@H]1C 496730135 JBYHXKBVFWKEKU-YUMQZZPRSA-N 212.249 0.566 30 20 BCED CC1(C#N)CN(CCC(=O)N2CCOCC2)C1 515119345 BGMPTHNAZVGVHL-UHFFFAOYSA-N 237.303 0.081 30 20 BCED COC[C@@H](N)C(=O)N1CCC(CCC#N)CC1 520585421 PHKHUPFMRHMZFE-LLVKDONJSA-N 239.319 0.502 30 20 BCED C=CC[S@@](=O)CC(=O)NC1CCCC1 526846639 SUWSNZRVKXYMBS-CQSZACIVSA-N 215.318 0.980 30 20 BCED N#CC1(C[C@H](O)CN2CC[C@H](O)C2)CC1 528373980 SFTGDTMWJVVHFO-UWVGGRQHSA-N 210.277 0.108 30 20 BCED N#Cc1ccncc1NC[C@H](O)[C@H]1CCOC1 539859194 BXCGEIRAKNQRQB-JQWIXIFHSA-N 233.271 0.763 30 20 BCED N#CCC(=O)NC[C@@H](O)COc1ccccc1 548458672 IMOIGOBHUMGGHO-SNVBAGLBSA-N 234.255 0.456 30 20 BCED COC(C)(C)CNc1ccc(C#N)c(N)n1 563421654 OSJULKCFFHNTOG-UHFFFAOYSA-N 220.276 1.372 30 20 BCED COC[C@@H]1CN(c2ncncc2C#N)CCO1 568136803 CDWURNWXTZKJBN-JTQLQIEISA-N 234.259 0.200 30 20 BCED C[C@]1(CO)CCC[C@@H]1Nc1ccc(C#N)c(N)n1 571105721 MZHSNYIGNOHHNC-GXFFZTMASA-N 246.314 1.498 30 20 BCED CO[C@@H](C(=O)N(CC#N)C1CC1)C1CC1 573812071 KWKWTOHIOYCCDT-SNVBAGLBSA-N 208.261 0.926 30 20 BCED CCc1cc(C(=O)NCC#CCO)c(C)nn1 575149763 XFGPBNYDCBUJSW-UHFFFAOYSA-N 233.271 0.073 30 20 BCED CNc1nc(CN=c2nc[nH]cc2C#N)cs1 575538191 DCWYIFZVIKXOGE-UHFFFAOYSA-N 246.299 0.880 30 20 BCED CCC1(O)CN(C(=O)c2ncc(C#N)cc2C)C1 579929013 LJVBNFKIFRCJQC-UHFFFAOYSA-N 245.282 0.859 30 20 BCED CO[C@@H]1COC[C@H]1N[C@@H]1CC[C@@H](C#N)C1 580189275 LEAORCJULOVUDL-GWOFURMSSA-N 210.277 0.682 30 20 BCED C[C@@]1(O)CCN(Cc2ccc(C#N)cn2)C1 581733749 ABXCMEPSZAZGRO-GFCCVEGCSA-N 217.272 0.910 30 20 BCED CC[C@H](C)CS(=O)(=O)N1CC(C#N)C1 590088944 KAFHHUOLBDDMRC-QMMMGPOBSA-N 216.306 0.818 30 20 BCED C=CCOCCCC(=O)N1CC(C#N)C1 590484088 PYSRCZLBKYYNNC-UHFFFAOYSA-N 208.261 0.951 30 20 BCED N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCCN1 591677583 NWSDGECRGAEONP-QWRGUYRKSA-N 238.335 0.266 30 20 BCED Cc1cccc(C(=O)N2CC[C@](O)(CC#N)C2)n1 592840108 RVDBDCVTGGVAOM-CYBMUJFWSA-N 245.282 0.881 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](CO)CCF 593862414 WLPCDSPIFANBFK-HTQZYQBOSA-N 202.229 0.373 30 20 BCED C=C[C@H](C(=O)OC)N1CC[C@@H](c2nccn2C)C1 593968610 VJNMHAFFSIEXDW-GHMZBOCLSA-N 249.314 0.937 30 20 BCED C[C@H]1CN(C2CC2)C[C@@H]1Nc1cc(C#N)cnn1 596161301 HCAMIULDWTWOQY-CABZTGNLSA-N 243.314 1.243 30 20 BCED CN(C[C@H]1COCCO1)c1ccnc(C#N)c1 596458600 UENJEKFKEQXDCH-LBPRGKRZSA-N 233.271 0.805 30 20 BCED CCC[C@@H](C#N)NC(=O)Cc1n[nH]c(C)n1 597039355 LHLCQAPUTAZBMD-QMMMGPOBSA-N 221.264 0.464 30 20 BCED N#CCCN(CC1CC1)C(=O)[C@@H]1CCNC1=O 597141778 KNLAZRHTOOXKJC-SNVBAGLBSA-N 235.287 0.275 30 20 BCED COCCCOCCC(=O)NC[C@H](C)C#N 597201990 XQCHTZQQTWEXEV-SNVBAGLBSA-N 228.292 0.705 30 20 BCED COC[C@H](OC)C(=O)N1CC[C@@](F)(C#N)C1 597543543 AEXQGAZTDUVSSQ-WCBMZHEXSA-N 230.239 0.112 30 20 BCED CCN(C(=O)c1ccn(C)c(=O)c1)[C@H](C)C#N 598350839 STYSKNMKDPPLLE-SECBINFHSA-N 233.271 0.759 30 20 BCED CC(C)(C#N)C[C@@H](O)CN1CC[C@@](C)(O)C1 598594426 HFDDDCNATMYFBL-ZYHUDNBSSA-N 226.320 0.744 30 20 BCED CCN(CC#N)C(=O)c1ccnc2ccnn12 599155304 YEZDVBMIPNWXRJ-UHFFFAOYSA-N 229.243 0.715 30 20 BCED C[C@@H](C(=O)NC1(C#N)CCC1)[C@@H]1CCC(=O)N1 599181578 HBRWJTQHZJVNAJ-BDAKNGLRSA-N 235.287 0.464 30 20 BCED N#CCNC(=O)CN1CCc2c(O)cccc2C1 599646994 NRGNKSWDTKPERX-UHFFFAOYSA-N 245.282 0.390 30 20 BCED COC1CC(C(=O)N2CC(C)(C#N)C2)C1 599870736 IDJQTCYMQZWNGH-UHFFFAOYSA-N 208.261 0.783 30 20 BCED CCN(CC#N)C(=O)c1cnn(CCOC)c1 601016451 YIUOFKJIMZEAJN-UHFFFAOYSA-N 236.275 0.515 30 20 BCED N#CC1CN(C(=O)c2nc(C3CC3)no2)C1 601209625 GUQOTMTTXOKVSS-UHFFFAOYSA-N 218.216 0.543 30 20 BCED CCN(CC#N)S(=O)(=O)CC1(N(C)C)CC1 601316167 UNGYECYYYJCYLK-UHFFFAOYSA-N 245.348 0.256 30 20 BCED COC1CC(C(=O)Nc2c[nH]nc2C#N)C1 602358039 FSGKJMWMWCGRSG-UHFFFAOYSA-N 220.232 0.645 30 20 BCED CC(C)(C)n1nnc(CCn2cc(C#N)nn2)n1 603333975 IKLBWURQNFUCTQ-UHFFFAOYSA-N 246.278 0.134 30 20 BCED C=CC[C@H](C)NC(=O)C(C)(C)NC(C)=O 604880802 QMMXXMGIVLQMCN-QMMMGPOBSA-N 212.293 0.982 30 20 BCED CN(CCC#N)c1nccc(N2CCOCC2)n1 610908670 KNWXQFIIAXTUJW-UHFFFAOYSA-N 247.302 0.663 30 20 BCED C=C[C@](C)(O)C(=O)NCC(=O)C(C)(C)C 613107979 VRXLFNQUXORLOQ-NSHDSACASA-N 213.277 0.655 30 20 BCED C=C[C@@H](O)C(=O)Nc1cc(N(C)C)ccn1 613442397 HQPWDIUEJHEUGC-SECBINFHSA-N 221.260 0.633 30 20 BCED C=C[C@@H](O)C(=O)N1CCCC[C@@H](COC)C1 613577190 WEPLGWAPVVUZQC-GHMZBOCLSA-N 227.304 0.808 30 20 BCED C=CCN1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1=O 614393744 JFUJTJBOVXBEPZ-SECBINFHSA-N 248.286 0.269 30 20 BCED C=CCCO[C@H](C)C(=O)N1CC(CN(C)C)C1 615512326 FUOQJZKWLWIKIA-LLVKDONJSA-N 240.347 0.988 30 20 BCED N#C[C@]1(F)CCN(C(=O)c2csc(O)n2)C1 619415306 KYDNFVWVNARDMK-SECBINFHSA-N 241.247 0.926 30 20 BCED CC#CCNC(=O)c1cc(OC)ns1 621935577 APSQVQDYAZNPDL-UHFFFAOYSA-N 210.258 0.905 30 20 BCED C=CCNC(=O)[C@@H](C)n1cc(CCCN)nn1 640883186 CKLZUYSQFOHQPU-SECBINFHSA-N 237.307 0.033 30 20 BCED C=C[C@@H](O)C(=O)N(CCO)CCCCC 646946195 IBKXOGIJGAWPID-SNVBAGLBSA-N 215.293 0.544 30 20 BCED C=CCn1cc(C(=O)NC(C)(C)CCN)nn1 648179269 BBJINNWEAYCRQO-UHFFFAOYSA-N 237.307 0.321 30 20 BCED CC#CC[C@H](CO)NC(=O)c1cn(C)nc1C 649186713 CGLQIBSXCNVWSX-SNVBAGLBSA-N 235.287 0.233 30 20 BCED C=C(CC)CN1CCN(CC(=O)N(C)C)CC1 678623793 WLAZGYPHSDUBTH-UHFFFAOYSA-N 239.363 0.658 30 20 BCED C=CCCN(C)C(=O)[C@@H]1CCN(C)C1=O 682547863 VGYJGNVUEUDDJP-VIFPVBQESA-N 210.277 0.499 30 20 BCED C#CC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3OC 692939706 IYLWLBVQNCSUOW-NFQPTNBHSA-N 205.257 0.501 30 20 BCED N#CCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 701243727 UQQBWYVZAGSBGV-JTQLQIEISA-N 235.287 0.417 30 20 BCED Cc1cc(C)n2ncc(C(=O)NO)c2n1 701271408 WRYCFDKQCZXDCZ-UHFFFAOYSA-N 206.205 0.465 30 20 BCED C#CC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 704298311 XEOBVFFPDBPONS-UHFFFAOYSA-N 245.282 0.266 30 20 BCED CC(=O)NC1CCN(CC2(C#N)CC2)CC1 709416830 YQZTXKXLOPYGAT-UHFFFAOYSA-N 221.304 0.891 30 20 BCED C#CCCS(=O)(=O)N(C)Cc1ccon1 711016545 QBTBBQXNDCAZIV-UHFFFAOYSA-N 228.273 0.460 30 20 BCED C#CCCS(=O)(=O)N[C@H]1C[C@@H](OC)C1(C)C 711158709 IBWIIRHLABANRF-VHSXEESVSA-N 245.344 0.743 30 20 BCED CO[C@H]1C[C@H](CNC(=O)[C@H](N)CCCC#N)C1 714736923 RKHAVBJIMGOJBR-GMTAPVOTSA-N 239.319 0.549 30 20 BCED C=C[C@H](CO)N[C@H](CCCC)C(=O)O 717514667 CLJLQZSTGUYAQH-RKDXNWHRSA-N 201.266 0.766 30 20 BCED C=CCOCC(=O)N1CCC2(C1)OCCO2 731191394 NEVRHGLSJADCIF-UHFFFAOYSA-N 227.260 0.164 30 20 BCED C#CCCNC(=O)c1ccc(-c2nn[nH]n2)nc1 735375445 KYFQCBSRNRGVLK-UHFFFAOYSA-N 242.242 0.015 30 20 BCED C[C@@H](C#N)CNC(=O)c1ccc(C(=O)O)nc1 736204093 XRYKYQNIECURKV-ZETCQYMHSA-N 233.227 0.669 30 20 BCED C[C@@H](CC#N)NC(=O)CCCN(C)C(=O)O 736540002 BEWYRSDOYASMEN-QMMMGPOBSA-N 227.264 0.795 30 20 BCED C=CCNC(=O)COC(=O)c1ccncc1F 741377349 NLPXSLNSNOBWOX-UHFFFAOYSA-N 238.218 0.680 30 20 BCED N#Cc1cc(COC(=O)[C@H]2COCCO2)ccn1 754718892 MIHMMHCBPPXEMP-LLVKDONJSA-N 248.238 0.412 30 20 BCED C#CCNC(=S)NC1(CC(=O)OC)CCC1 758248028 UBSSPHMSWMQRKI-UHFFFAOYSA-N 240.328 0.570 30 20 BCED C#CCNC(=S)N1CCC[C@H]1C[C@H](C)O 758251413 JQOCWRRPQCWZJV-UWVGGRQHSA-N 226.345 0.729 30 20 BCED C#C[C@H]([C@@H]1CCCO1)N1C(=O)N[C@@H](C2CC2)C1=O 762072928 ATROAFWHVDKAFF-VWYCJHECSA-N 248.282 0.498 30 20 BCED C#CCCN1CCN(CC(=O)NCC2CC2)CC1 762293594 GNHBVIXYJIUIQN-UHFFFAOYSA-N 249.358 0.154 30 20 BCED COCC#CCOC(=O)c1cccc(C(N)=O)c1 762782328 APXWJLKJBATOJC-UHFFFAOYSA-N 247.250 0.592 30 20 BCED COCC#CCOC(=O)c1c[nH]c(C)cc1=O 762838748 LVLBFWLPFPAPRY-UHFFFAOYSA-N 235.239 0.490 30 20 BCED C#CCN(C(=S)NCCOC)C1CC1 763366265 YHOBVLMPPAMBMP-UHFFFAOYSA-N 212.318 0.605 30 20 BCED Cc1ccc(C=NNc2nccn(C)c2=O)cn1 764909823 XCPILBXDJCFBGM-UHFFFAOYSA-N 243.270 0.930 30 20 BCED C#CCCOC(=O)CS(=O)(=O)CCC 765461015 XHWOKJXLWLLRPE-UHFFFAOYSA-N 218.274 0.378 30 20 BCED COc1ccc(C(=O)NCC#N)nc1Cl 767930991 IAZKYPLOEAIKAP-UHFFFAOYSA-N 225.635 0.997 30 20 BCED C#C[C@H](C)NC(=O)CN1[C@@H](C)CC[C@H]1C 775385563 IUNYXWJZXZASDZ-GARJFASQSA-N 208.305 0.997 30 20 BCED C#C[C@H](NC(=O)N=c1cc[nH]cc1)[C@H]1CCCO1 775435918 YYBAMZDMPXOJAV-NWDGAFQWSA-N 245.282 0.806 30 20 BCED C#C[C@@H](NCC(=O)N(CC)CC)[C@@H]1CCCO1 775790104 GMVOZDBEXWOKLW-NEPJUHHUSA-N 238.331 0.625 30 20 BCED COC[C@@H](O)C(=O)OCc1ccc(C#N)cc1C 777063948 RMLZDZLYOSALCN-GFCCVEGCSA-N 249.266 0.917 30 20 BCED C[C@H]1CN=C(NN=C2CN(C3CC3)C[C@@H]2C)N1 779786486 RFOOVOGDFKWONB-IUCAKERBSA-N 235.335 0.394 30 20 BCED C=CCCOCC(=O)N1C[C@H]2C[C@@]2(CO)C1 783794420 PKLWECUQANKSNY-PWSUYJOCSA-N 225.288 0.420 30 20 BCED 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C=CCCCNC(=O)C(=O)N[C@H](C=C)COC 1325443587 KCLZDLTZEZKBPN-SNVBAGLBSA-N 240.303 0.386 30 20 BCED C=C(CC)CNC(=O)C(=O)NOCC(C)C 1325620737 AGVLWVFQXMPCID-UHFFFAOYSA-N 228.292 0.773 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 1325903264 MDGHVJRTFWLNJZ-IVZWLZJFSA-N 235.287 0.321 30 20 BCED C=CC[C@@H](NC(=O)[C@H](O)C(C)C)C(=O)O 1332171387 BEVDPCSJGPZDAV-HTQZYQBOSA-N 215.249 0.149 30 20 BCED CC[C@@H](C)n1nnnc1N1CCO[C@@H](C#N)C1 1332519662 HLNZMAHPOSNCLV-BDAKNGLRSA-N 236.279 0.373 30 20 BCED C=CCn1nnnc1N1C[C@@H](O)C(C)(C)C1 1333672384 CRFAGEUOXFVTSK-MRVPVSSYSA-N 223.280 0.066 30 20 BCED COCC#CC(=O)N[C@@H](CO)Cc1ccccc1 1334374654 UHOVAUVYQZOBDT-CYBMUJFWSA-N 247.294 0.356 30 20 BCED C=C[C@@H](COC)NC(=O)[C@@H]1CCCC(=O)N1C 1334933381 IFEUAGWVKOISAI-UWVGGRQHSA-N 240.303 0.315 30 20 BCED C=CC[C@H]1NC(=O)N(C[C@H](OC)C2CC2)C1=O 1335247637 ZNBHJSKFDAFMHI-ZJUUUORDSA-N 238.287 0.908 30 20 BCED C=C[C@@H]1OCC[C@H]1N[C@H](C)COCCOC 1335544511 YBUZDUNMODILAP-UTUOFQBUSA-N 229.320 0.971 30 20 BCED 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C=C(C)CN(C)C(=O)N[C@@]1(C)CCOC1=O 1349781082 ZYYYKNXVAWDUSQ-NSHDSACASA-N 226.276 0.910 30 20 BCED C=C(C)C[C@@H](N[C@H](C)Cn1cncn1)C(=O)O 1350611890 ZDQBFUMAIAIZGS-NXEZZACHSA-N 238.291 0.676 30 20 BCED C#CC(C)(C)NC(=O)CCc1nnc(C)o1 1352216307 NHOVWHPSMRSRER-UHFFFAOYSA-N 221.260 0.839 30 20 BCED C#CCCCn1nnnc1N1C[C@H]2COC[C@H]2C1 1352324105 ZUAIGWYZGYXFCV-PHIMTYICSA-N 247.302 0.169 30 20 BCED CC(=O)N[C@H](C(=O)NC[C@@H](C)C#N)C(C)(C)C 1444195089 HDAYYJXTYMYFQK-WCBMZHEXSA-N 239.319 0.813 30 20 BCED C[C@H](C#N)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1450649424 VKGGTUSKSYEADQ-BDAKNGLRSA-N 244.316 0.087 30 20 BCED CC(C)(CC#N)CNC(=O)N1CCNC(=O)C1 1470463901 ZIEZRBNOOSTLLV-UHFFFAOYSA-N 238.291 0.068 30 20 BCED C[C@@H](CCC#N)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1473529735 PELRKRGUVYJWMX-HBNTYKKESA-N 237.303 0.268 30 20 BCED N#Cc1cc(NC(=O)NCC(=O)O)ccn1 1574485435 GRTDVCATPFNPKI-UHFFFAOYSA-N 220.188 0.159 30 20 BCED CC(C)(CN)CNCC1(C#N)CCOCC1 1575315240 MHCCFJKTOBVCPQ-UHFFFAOYSA-N 225.336 0.881 30 20 BCED CC(C)[C@@H](C(=O)Nc1n[nH]cc1C#N)[C@@H](C)N 1575408407 PJECLLLLGNIIKB-VXNVDRBHSA-N 235.291 0.839 30 20 BCED C[C@@H](NC(=O)[C@@H]1C[C@@H]1C#N)[C@H]1CCCNC1 1576220545 KSCSNGIKCRCZGJ-LMLFDSFASA-N 221.304 0.650 30 20 BCED C[C@H]1OC(C)(C)N[C@H]1CNC(=O)[C@@H]1C[C@@H]1C#N 1576910788 WGECUOPOYXTLRS-KYXWUPHJSA-N 237.303 0.375 30 20 BCED CCNCCNC(=O)Nc1cc(C)c(C#N)cn1 1577849948 NCBYHBPOLBNSTJ-UHFFFAOYSA-N 247.302 0.993 30 20 BCED CN(C[C@H]1CCN1)c1cnc(C#N)c(C#N)n1 1578455737 IFRWSDXZESBTOT-MRVPVSSYSA-N 228.259 0.018 30 20 BCED CO[C@@H](CN)CC(=O)N(CCC#N)CC1CC1 1578908519 YDXSKSBGIURSAB-LLVKDONJSA-N 239.319 0.502 30 20 BCED Cc1cc(C#N)cc(NC(=O)[C@H](C)CN)n1 1579553834 DZMZTYYDIQSEED-SSDOTTSWSA-N 218.260 0.795 30 20 BCED N#C[C@H]1C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1580057241 QRESIQUQQAORLL-OJAKKHQRSA-N 241.294 0.887 30 20 BCED C#CC[C@@H](NCc1ccc(CO)cc1)C(=O)O 1588422955 SAQFQBCWCQRFCS-GFCCVEGCSA-N 233.267 0.745 30 20 BCED C#CCCCC(=O)O[C@@H]1C[C@H](C(=O)O)N(C)C1 1588440398 SPDPSRKIECXAPE-NXEZZACHSA-N 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30 20 BCED C#CC[C@H](NC(=O)C#CC(C)(C)C)C(=O)O 1609076244 GNRCIRXZMBNKHN-VIFPVBQESA-N 221.256 0.629 30 20 BCED CCSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1609248912 CPYGRNSDLLYCHA-UHFFFAOYSA-N 247.287 0.828 30 20 BCED CNC(=S)NN=C1CC(CC(=O)O)C1 1610144431 AMLHGSWDCWRKTO-UHFFFAOYSA-N 215.278 0.321 30 20 BCED Cc1nccc(Cn2cnc(C#N)cc2=O)n1 1641230185 RVUXQLYACZOFHS-UHFFFAOYSA-N 227.227 0.262 30 20 BCED Cc1[nH]nc(NC(=O)[C@@H](O)C(C)C)c1C#N 1645596097 UCGXYUQAEYYKMX-QMMMGPOBSA-N 222.248 0.545 30 20 BCED CCCCC(=O)NCCN(C)C(=O)[C@H](C)C#N 1704182988 LNVYSBCGLWCKEB-SNVBAGLBSA-N 239.319 0.911 30 20 BCED C=CCOCCN[C@H](C)CCNC(C)=O 1753001100 ULIBHJSFMCPKOD-SNVBAGLBSA-N 214.309 0.693 30 20 BCED C#CCOCCC(=O)NC[C@H]1CCCN1CC#C 1753102225 GCNUCCTZLSIPRG-CYBMUJFWSA-N 248.326 0.240 30 20 BCED C=CCOCC(=O)N(C)CCN(C)CC#CC 1753850284 VTDVSUIBGRZOAB-UHFFFAOYSA-N 238.331 0.603 30 20 BCED N#CCNC[C@@H]1CCCN1C(=O)Cc1cc[nH]n1 1754607287 XTWDOHMXKWUIMF-NSHDSACASA-N 247.302 0.056 30 20 BCED C[C@@H](CNC(=O)C(C)(C)F)N(C)CC#N 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C#C[C@H](NC(=O)c1ncccc1O)[C@H]1CCCO1 776264054 OXSQWHWCNNJSGX-GXSJLCMTSA-N 246.266 0.698 30 20 BCED Cn1nnc(C/N=C/c2ccccc2O)n1 775740133 LCUCFTWUSIBQEY-IZZDOVSWSA-N 217.232 0.535 30 20 BCED C#CCCCCNC(=O)N[C@H](CO)C1CC1 778703406 XBWKOXQKOHUGGT-LLVKDONJSA-N 224.304 0.860 30 20 BCED C[C@H](C(=O)NC[C@@H]1C=CCC1)n1cnc(C#N)n1 881499267 WPXHEBKRIOZJJJ-NXEZZACHSA-N 245.286 0.793 30 20 BCED C=C(C)CNCCNC(=O)CCC(=O)NCC 1124727742 SYXVADCORGYEAL-UHFFFAOYSA-N 241.335 0.185 30 20 BCED C#CCSCC(=O)NCCCC(=O)OC 887693741 ZFKRFIHHCPAEDK-UHFFFAOYSA-N 229.301 0.422 30 20 BCED C=C/C=C/CCNC(=O)NCC(=O)NCC=C 883556413 BOADMBOPBATWNF-AATRIKPKSA-N 237.303 0.720 30 20 BCED CON=CC(=O)N1C[C@H](C)OC[C@@H]1C 773772351 PAOYWCUQEORZKS-YUMQZZPRSA-N 200.238 0.254 30 20 BCED CCCNC(=O)COC(=O)c1ccc(C#N)[nH]1 786092446 PFSGQRPPBRNHKJ-UHFFFAOYSA-N 235.243 0.569 30 20 BCED C#CCNC(=O)COC(=O)c1csnc1C 781269252 CLMUIGCRKPXDDS-UHFFFAOYSA-N 238.268 0.358 30 20 BCED N#Cc1cc(F)ccc1N[C@@H]1C[C@H](O)[C@H](O)C1 884623124 PFPUDNMDOWWOKF-YHPBZONMSA-N 236.246 0.993 30 20 BCED CC#CCN1CCN(C(=O)c2cccnn2)CC1 952372773 RNUPKTPVSJLIPT-UHFFFAOYSA-N 244.298 0.258 30 20 BCED C[C@H]1CN(C(=O)CN(C)CCC#N)CCO1 83217413 TYZOXXDCTBUJKT-JTQLQIEISA-N 225.292 0.079 30 20 BCED C[C@H](CO)N(C)C(=O)NCc1ccc(C#N)cn1 780639381 DZBRLUKTOBUHRJ-SECBINFHSA-N 248.286 0.475 30 20 BCED N#C[C@@H]1CCC[C@@H](NCCN2CCNC2=O)C1 886744975 LESQVOWLMYGJNB-GHMZBOCLSA-N 236.319 0.684 30 20 BCED CC[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)OC 892577723 CZRYMWWGNQHVNA-YIZRAAEISA-N 224.260 0.556 30 20 BCED N#CC1(CNC(=O)c2cccn3nnnc23)CC1 897635413 AHCVRNWTTTYQAY-UHFFFAOYSA-N 242.242 0.158 30 20 BCED Cn1c(S(=O)(=O)NCCC#N)cnc1Cl 785282172 IWQDYCJFMPLDFP-UHFFFAOYSA-N 248.695 0.265 30 20 BCED C#CCSCC(=O)N(C)C[C@H](C)C(=O)OC 895723813 AVBKPHGJBDQQRM-VIFPVBQESA-N 243.328 0.620 30 20 BCED C#CCOCCNC(=O)[C@H](O)C1CCCCC1 783705779 GTCPWAAQUAWQLN-GFCCVEGCSA-N 239.315 0.694 30 20 BCED Cc1cocc1C(=O)N1CC[C@@H](NCC#N)C1 969614190 AKSMLABAIFVLKK-SNVBAGLBSA-N 233.271 0.916 30 20 BCED CNC(=S)NN=C(C)c1coc(C)n1 788938357 DQHZOUHHVOIILN-UHFFFAOYSA-N 212.278 0.801 30 20 BCED C=C(Cl)CNCCNC(=O)C1CC(OC)C1 1130024026 FXZBBRBZXGUDFZ-UHFFFAOYSA-N 246.738 0.870 30 20 BCED C#CCSCC(=O)N[C@@H](CC)C(OC)OC 897565668 QYVFJGQTYNZWCL-VIFPVBQESA-N 245.344 0.867 30 20 BCED C=CCCCC(=O)NCCNCCCO 1133144956 JAVAFAGYWRUZNG-UHFFFAOYSA-N 214.309 0.431 30 20 BCED C#CC1(O)CN(Cc2cncc(OCC)c2)C1 898144526 KBHHLBIVYKRJMM-UHFFFAOYSA-N 232.283 0.660 30 20 BCED N#Cc1cccc(C(=O)N2CC=C(N)N2)c1 1133928529 ZGWNSTQGPPNVHQ-UHFFFAOYSA-N 214.228 0.319 30 20 BCED C#CCN[C@@H]1CCN(C(=O)[C@H](CC)OC)C1 967580907 BBGLCZAWZXXKPO-MNOVXSKESA-N 224.304 0.235 30 20 BCED C=C1CN(C(=O)Cc2ccn(CC)n2)C1 898702962 HDVQSWZJNYWKIX-UHFFFAOYSA-N 205.261 0.844 30 20 BCED COC[C@H](C#N)OC(=O)c1ccc(OC)nc1 785137241 ZMRLZPDGLINZJI-VIFPVBQESA-N 236.227 0.786 30 20 BCED N#CCC(=O)N1CCc2ccc(CO)cc21 409434902 REBNTNNWNDYWEY-UHFFFAOYSA-N 216.240 0.982 30 20 BCED C=C(CO)C(=O)N[C@@H](CO)CC(C)(C)C 791385907 AUKPLGLAXKLYPF-SECBINFHSA-N 215.293 0.448 30 20 BCED C#CCN(CC#N)CC(=O)Nc1ccc(O)cc1 799199682 BYCHKSRWBCNXLH-UHFFFAOYSA-N 243.266 0.789 30 20 BCED C#C[C@H](C)Nc1ncnc2c1cnn2C 164857498 LAQUQYIRALLBKD-ZETCQYMHSA-N 201.233 0.797 30 20 BCED C=C(CO)C(=O)N1CC[C@H](COCCOC)C1 791377757 VKEMCGSVUXUYKE-NSHDSACASA-N 243.303 0.046 30 20 BCED CC(C)(C#N)CNS(=O)(=O)c1ncc[nH]1 389722940 PXSIZGDTXSIQHR-UHFFFAOYSA-N 228.277 0.238 30 20 BCED CC[C@@H](NN=C(C)c1cnn(C)c1)C(=O)O 390290125 YHGUGXUMTKFFIF-SECBINFHSA-N 224.264 0.597 30 20 BCED C#CCNCCNC(=O)[C@@H]1CC12CCC2 1134444513 LBBSCXYEDRFNER-JTQLQIEISA-N 206.289 0.516 30 20 BCED C#C[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 186073157 AUMIGFXCXIVBEV-MRVPVSSYSA-N 204.229 0.137 30 20 BCED C#CCNC(=O)CCN[C@@H](C)[C@@H](C)OC 167152675 VXSSONPNTMRTGV-VHSXEESVSA-N 212.293 0.139 30 20 BCED CC(C)[C@H](CO)CN=c1cc[nH]c(C#N)n1 394034188 FQBGOOZIEBIJKE-VIFPVBQESA-N 220.276 0.447 30 20 BCED CC#CCN[C@@H]1CCCN(C(=O)c2cnn[nH]2)C1 1208483502 MMNHPABTZHOXAT-SNVBAGLBSA-N 247.302 0.022 30 20 BCED C[C@H](OC(=O)c1cnnn1C)C(C)(C)C#N 798843166 KMDZTQKYLDMXOK-ZETCQYMHSA-N 222.248 0.910 30 20 BCED C#CCNCCNC(=O)[C@H]1CC[C@H](F)C1 1132953626 GEMKGWXUGSVNSK-UWVGGRQHSA-N 212.268 0.464 30 20 BCED C#CCONC(=O)[C@H](CC(C)C)NC(C)=O 704355201 PFVRSWMKBCDKEC-JTQLQIEISA-N 226.276 0.218 30 20 BCED C#CCN(CC#N)C(=O)[C@@H](CC(C)C)NC(C)=O 704371474 FKNUNAAHIOYRQW-GFCCVEGCSA-N 249.314 0.523 30 20 BCED CC1(C#N)CN(CCCN2CCCC2=O)C1 575427690 YKDIKZRCHKDEBP-UHFFFAOYSA-N 221.304 0.844 30 20 BCED C[C@H](CC#N)NC(=O)C(C)(C)S(C)(=O)=O 70129421 UAQWPXYPNPCQLC-SSDOTTSWSA-N 232.305 0.228 30 20 BCED CNC(=O)N1CCN(c2cnccc2C#N)CC1 557418232 XJQQZDFILLERHN-UHFFFAOYSA-N 245.286 0.415 30 20 BCED CC#CC[C@@H](CO)Nc1nccn2nc(C)cc12 645405864 LFSRIFYTCMNDRT-NSHDSACASA-N 244.298 1.224 30 20 BCED C#CCCS(=O)(=O)N1CCC[C@@H](CCO)C1 710978281 SETFVMKQGKQHHD-NSHDSACASA-N 245.344 0.434 30 20 BCED C#CCCS(=O)(=O)N[C@H]1CCN(C2CC2)C1 710996986 NEVDIKRRPRZAJB-JTQLQIEISA-N 242.344 0.166 30 20 BCED C=CCN1C[C@H]2C(CNC(=O)c3cnon3)[C@@H]2C1 978884775 FOJHKPJIVCZNBW-UWVGGRQHSA-N 248.286 0.163 30 20 BCED C#CCN(C)[C@@H]1CCN(C(=O)c2ocnc2C)C1 971279165 APDYFSJXINQEHR-LLVKDONJSA-N 247.298 0.763 30 20 BCED C#CCOCCN(C)C(=O)[C@@H]1CO[C@H](C)C1 688048310 RXAKZKCAYOICBD-MNOVXSKESA-N 225.288 0.520 30 20 BCED C#CC[C@@H](CO)NCc1cncn1C(C)C 717812874 DEMURMKJUKAPJF-NSHDSACASA-N 221.304 0.938 30 20 BCED C#CCC[C@H](O)CNC(=O)CSCC#N 717959203 FPEGVSXXQFUCRC-VIFPVBQESA-N 226.301 0.134 30 20 BCED C=CCNC(=O)[C@H](C)N1C[C@H](C)[C@](C)(CO)C1 662135915 NZJOSRMPJDARKB-GVXVVHGQSA-N 240.347 0.627 30 20 BCED COC[C@H](OC)C(=O)Nc1cccc(C#N)n1 598847338 LLQXTZIIIDVGRS-VIFPVBQESA-N 235.243 0.553 30 20 BCED C#CCN1CCCN(C(=O)C2=CCOCC2)CC1 981026829 MOFHTSBPDPZJPS-UHFFFAOYSA-N 248.326 0.501 30 20 BCED COCC#CCN1CC[C@H](C(=O)O)[C@@H](C)C1 694822937 JTNRQJNBZMTUQM-QWRGUYRKSA-N 225.288 0.679 30 20 BCED C#CCN(CC(=O)O)C(=O)NCC(C)(C)C 86156404 SUTITXZTLBJCBO-UHFFFAOYSA-N 226.276 0.762 30 20 BCED C=CCN[C@H]1C[C@@H](CNC(=O)c2ccon2)C1 1086037687 MUIIFTGAQQQQLI-AOOOYVTPSA-N 235.287 0.959 30 20 BCED Cc1ncncc1C(=O)NCCCNCC#N 1155070728 ZBVCMGAKVPUSCM-UHFFFAOYSA-N 233.275 0.018 30 20 BCED COC[C@H](NS(=O)(=O)[C@@H](C)C#N)C(C)C 88486484 OROPGFVCKKBBLO-IUCAKERBSA-N 234.321 0.489 30 20 BCED C=CCNCCCNC(=O)c1nn(C)cc1C 1157775235 LZHSJRIKTQTEJS-UHFFFAOYSA-N 236.319 0.624 30 20 BCED CN(CCCn1ccnc1)CC(=O)NCCC#N 774744777 KYYRKFSIPFAOEP-UHFFFAOYSA-N 249.318 0.235 30 20 BCED CC#CCN1CC[C@H]1CN(C)C(=O)c1cnon1 1085883668 KGFFYCCZXYCMLQ-JTQLQIEISA-N 248.286 0.239 30 20 BCED CC(=O)NCC[C@@H](C)Nc1ccc(C#N)nn1 1098740474 RXYSIGUYTSOFBK-MRVPVSSYSA-N 233.275 0.675 30 20 BCED CC(F)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1095092441 MJLPWAZBFFUBIS-VGMNWLOBSA-N 243.257 0.887 30 20 BCED C#CCCNCCCNC(=O)[C@H]1OCC[C@H]1C 1166944214 VZHDARVIYKNLHX-NEPJUHHUSA-N 238.331 0.531 30 20 BCED CC#CCN1CC[C@H]1CN(C)C(=O)CSC 1230702224 JUOIZLLNHGKJNV-NSHDSACASA-N 240.372 0.905 30 20 BCED CN(CC#N)CCCNC(=O)[C@H]1CCCO1 1233621567 SERHTPQONBCTTB-SNVBAGLBSA-N 225.292 0.127 30 20 BCED CCON=C1NS(=O)(=O)c2ccccc21 1317758258 BITONUZGZZLXIB-UHFFFAOYSA-N 226.257 0.677 30 20 BCED Cc1nc([C@H](C)NC(=O)NC[C@H](C)C#N)no1 1324899178 KNKDRWUIWLBPNV-RQJHMYQMSA-N 237.263 0.898 30 20 BCED CNC(=S)NN=C(C)c1ccnc(C)n1 1320870044 XEPSZZFNMYIVCG-UHFFFAOYSA-N 223.305 0.603 30 20 BCED N#CCN1CCC(N2C(=O)NC3(CC3)C2=O)CC1 1320895640 RINISWPTOHMLNL-UHFFFAOYSA-N 248.286 0.059 30 20 BCED Cc1nnc(CN(C)C(=O)C(C)(C)C#N)o1 1328795102 FXPCKKVMBVZDRI-UHFFFAOYSA-N 222.248 0.886 30 20 BCED C[C@@H](C#N)NC(=O)c1coc(C(N)=O)c1 1320906364 WPLSHCDNPWXNLD-YFKPBYRVSA-N 207.189 0.020 30 20 BCED COCC#CC(=O)N[C@H]1CS[C@@H](C)C1 1328343533 XFIVOETTXLRJDX-DTWKUNHWSA-N 213.302 0.646 30 20 BCED COCC[C@@](C)(C#N)NC(=O)[C@H](COC)OC 1329641286 HCMYDPOLZQODPB-ONGXEEELSA-N 244.291 0.083 30 20 BCED N#CC[C@]1(O)CCN(c2cc(C#N)ncn2)C1 1326295279 IGFBGKFRRBDMBC-NSHDSACASA-N 229.243 0.203 30 20 BCED CCN(CC#N)C(=O)c1ccoc1CC(N)=O 1257418927 IJYSHHYOHUHTRM-UHFFFAOYSA-N 235.243 0.293 30 20 BCED N#CCC(=O)N1CCC(c2nc[nH]n2)CC1 1329868907 ITQKKPFMBMAYDK-UHFFFAOYSA-N 219.248 0.424 30 20 BCED C=C[C@H](COC)NC(=O)N[C@@H](C)c1nc[nH]n1 1320604869 LGIVRPISSFYKPO-JGVFFNPUSA-N 239.279 0.366 30 20 BCED C=C[C@H](COC)N[C@H](C)C[C@H]1CCC(=O)N1 1333596712 PSSUODJDCXLCLA-GMTAPVOTSA-N 226.320 0.834 30 20 BCED C=CCC[C@@H](CO)NC(=O)[C@@]1(C)CC(C)=NO1 1339030287 RXNSAWAEYJFJQD-CMPLNLGQSA-N 240.303 0.985 30 20 BCED CC(C)(N)CNC(=O)N1CCO[C@@](C)(C#N)C1 1336907146 QXCSOPCGJDZSTN-NSHDSACASA-N 240.307 0.048 30 20 BCED C=CCn1cc(C(=O)N(CC)[C@H]2CCNC2)nn1 1331442345 HKDFVUIQMSUBLD-JTQLQIEISA-N 249.318 0.288 30 20 BCED N#CC1(C(=O)NCCC[C@H]2C=NNC2=O)CCC1 1331869051 QUEWDALVCYMGDS-VIFPVBQESA-N 248.286 0.308 30 20 BCED C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCCO)C1 1189399657 CBMXIHGNQXPSGG-QWRGUYRKSA-N 239.319 0.061 30 20 BCED C#CCN(C)c1nnnn1C[C@H](C)SC 1335250963 MBSNGSSANUCNLY-QMMMGPOBSA-N 225.321 0.494 30 20 BCED CC(=O)N1CC(C(=O)N[C@H](C#N)C2CCCC2)C1 1331552179 MEASFBKLXZIAMX-GFCCVEGCSA-N 249.314 0.663 30 20 BCED Cn1nccc1CCn1cnc(C#N)cc1=O 1335823406 CWEBYFXMEDAOJK-UHFFFAOYSA-N 229.243 0.091 30 20 BCED C#CCCN[C@@H]1CCN(C(=O)CCN(C)C)C1 1185408384 QZHGPHMVZOYTNV-GFCCVEGCSA-N 237.347 0.152 30 20 BCED C#CC[C@@H](CO)NC(=O)NC/C=C\C1CC1 1332320250 YOPTVCXFUDMMMK-MZBZXASESA-N 222.288 0.636 30 20 BCED COC[C@H](C)n1nnnc1N(C)[C@H](C)CC#N 1333685546 JYZLZDOBCRUHLY-BDAKNGLRSA-N 238.295 0.619 30 20 BCED C=C[C@H](COC)NC(=O)NCCCN(C)C 1331496276 IRRUGBOXTMTLNV-SNVBAGLBSA-N 229.324 0.438 30 20 BCED C=C[C@@H](C)NC[C@H](O)CN(C)CCC#N 1336785065 VOGUTGKUTLTKJH-MNOVXSKESA-N 211.309 0.357 30 20 BCED N#Cc1cccc(C#N)c1N1CCCNC(=O)C1 1330709566 GCVUCDOPZZAZNM-UHFFFAOYSA-N 240.266 0.756 30 20 BCED COCCN(C)c1nnc([C@H]2C[C@@H]2C#N)n1C 1339701496 QXNJQTIFWNBEJF-BDAKNGLRSA-N 235.291 0.525 30 20 BCED C=C(C)Cn1nnnc1N1C[C@H](O)C(C)(C)C1 1335343312 PAAKHQFRQLUFSS-VIFPVBQESA-N 237.307 0.456 30 20 BCED Cn1cnc(C(=O)NCCCCC#N)cc1=O 1332347257 AZIYMKRFMDDXNW-UHFFFAOYSA-N 234.259 0.204 30 20 BCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cncnc1C 1336735285 LJKFXJCYDASFHA-VIFPVBQESA-N 246.270 0.252 30 20 BCED C[C@H]1COC(C)(C)CN1C[C@H](O)CC#N 1335945331 FXHNWDVTGNNCHE-VHSXEESVSA-N 212.293 0.760 30 20 BCED C#CCN(CC)c1nnnn1C[C@@H]1C[C@@H]1C 1262399154 MDNIXDAVXUWRAQ-UWVGGRQHSA-N 219.292 0.789 30 20 BCED C=CCCOCC(=O)N1CC(C(=O)OC)C1 1262656022 IKKDSXJTDFJOMO-UHFFFAOYSA-N 227.260 0.211 30 20 BCED C#CCN(CC1CC1)[C@@H](C)c1nnnn1C 1261360672 SUOPFJIMILWLER-VIFPVBQESA-N 219.292 0.616 30 20 BCED C#C[C@H](C)N(C)c1nc(C)cc(C(=O)O)n1 1588367683 ADDDDYPPIYDCJD-QMMMGPOBSA-N 219.244 0.941 30 20 BCED C#CCNC(=O)N[C@]1(C)CC(C)(C)OC1=O 1347363041 YJYXRBWJMDZUKM-LLVKDONJSA-N 224.260 0.403 30 20 BCED COCC#CC(=O)N1CCC[C@@H]1c1cc[nH]n1 1347762009 IYKAIVRLLHOVFJ-LLVKDONJSA-N 233.271 0.723 30 20 BCED C=CCN(C)C(=O)C1=NO[C@@]2(CCCNC2)C1 1357463660 NATBYXABZROSPL-LBPRGKRZSA-N 237.303 0.529 30 20 BCED C=CCN1CC[C@@H](NC(=O)c2cc(C)no2)C1 1010154605 QIQHAIIKVRDVFM-SNVBAGLBSA-N 235.287 0.973 30 20 BCED C=CCN(CC=C)C(=O)[C@H]1CN2CCN1C[C@H]2C 1518742687 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247.302 0.865 30 20 BCED C#CCN(C(=O)NC[C@@H]1CCN1C)C(C)C 925430699 BFIOUXKRRNLMIS-NSHDSACASA-N 223.320 0.744 30 20 BCED Cc1cnn([C@@H]2CCN(C[C@H](O)CC#N)C2)c1 930526606 QUVOVSRKLMRTKO-VXGBXAGGSA-N 234.303 0.713 30 20 BCED C#CC1(O)CN(CCc2cnn(CC)c2)C1 934448523 NZNWPKJVJDUGGI-UHFFFAOYSA-N 219.288 0.125 30 20 BCED C#CCN1C[C@@H]2C(NC(=O)c3cc[nH]c3)[C@H]2C1 960007895 AGDSWIBEQRBHBR-QWRGUYRKSA-N 229.283 0.308 30 20 BCED Cc1cc(C(=O)N2CC[C@@H](N(C)CC#N)C2)on1 971067044 DUPDTGGBSRWCMG-SNVBAGLBSA-N 248.286 0.653 30 20 BCED C=CCN(C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 972544272 KFMNMCZKTJRGDX-JTQLQIEISA-N 249.318 0.147 30 20 BCED C#CCNC1CCN(C(=O)[C@H](F)CC)CC1 996885088 XPOGLVCXMGJUKV-LLVKDONJSA-N 226.295 0.948 30 20 BCED Cc1ccc(C(=O)N[C@H]2CCN(CC#N)C2)n1C 1010170449 QSRWVKPOVWMETH-NSHDSACASA-N 246.314 0.661 30 20 BCED C#CCN1CC[C@@H](NC(=O)c2conc2CC)C1 1015663505 MSLPPUBACHIFEP-SNVBAGLBSA-N 247.298 0.674 30 20 BCED C#CCN[C@H]1CCN(C(=O)c2cc(OC)no2)C1 1018744780 DSJUXAVIYJWSCZ-VIFPVBQESA-N 249.270 0.121 30 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CC(C)[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 269805419 KOHXRWXZNPMBQX-SNVBAGLBSA-N 221.260 0.633 30 20 BCED N#CCC[C@@H](C#N)CN1[C@H]2CC[C@H]1CC(=O)NC2 362185488 WMWPSLHEUXTIFF-SRVKXCTJSA-N 246.314 0.783 30 20 BCED C=C[C@H](O)C(=O)N1CCC(C)(OC)CC1 613253329 PRCHNEVIHOVGFE-VIFPVBQESA-N 213.277 0.561 30 20 BCED C=CCCO[C@H](C)C(=O)NC[C@@H](C)C(=O)OC 263804353 MNQHCVFBYJKIHV-NXEZZACHSA-N 243.303 0.893 30 20 BCED C=CCC[C@H](CO)NC(=O)C1(O)CCC1 456768021 NOYJRUIEOAVSJL-SECBINFHSA-N 213.277 0.345 30 20 BCED C=C(C)CCNC(=O)N(C[C@@H](C)O)[C@H](C)CO 459007351 SNANAFPUKIKFFR-GHMZBOCLSA-N 244.335 0.726 30 20 BCED CCN(CC#N)Cc1cnn(CCOC)c1 271145764 ROKUCCAZOLIIAF-UHFFFAOYSA-N 222.292 0.875 30 20 BCED C#CCCCN(CCOC)CC(=O)N(C)C 271076789 XEUUXQSIXZJBPY-UHFFFAOYSA-N 226.320 0.436 30 20 BCED C#CCCCC(=O)NC[C@@]1(O)CCO[C@@H]1C 279368110 DOCAFZONDXFLCI-PWSUYJOCSA-N 225.288 0.446 30 20 BCED C#CCN(C)C(=O)[C@@H](O)CCSC 276941582 GWFLPCPJSTXLIB-QMMMGPOBSA-N 201.291 0.192 30 20 BCED C=C(C)CNS(=O)(=O)C[C@@H](C)C(=O)OC 548294909 CJJUDTLIONUGCI-MRVPVSSYSA-N 235.305 0.291 30 20 BCED N#Cc1ncn(CCNC(=O)NCCC2CC2)n1 286709021 OGHQPEWJAAEMHK-UHFFFAOYSA-N 248.290 0.249 30 20 BCED CO/N=C/C(=O)Nc1nc(SC)ns1 289508910 FGULFSRBTSQFHF-XVNBXDOJSA-N 232.290 0.831 30 20 BCED CC[C@@](C)(C#N)NC(=O)c1cncc(OC)n1 555388134 VZYNYEIUEKJIEM-NSHDSACASA-N 234.259 0.907 30 20 BCED C=CCC[C@@H]1NC(=O)N(C[C@H]2CCOC2)C1=O 630995933 JVAMFPNPZQBAHL-ZJUUUORDSA-N 238.287 0.910 30 20 BCED Cn1ncc(C(=O)NCC#CCO)c1C1CC1 282995414 VDIXDMJNTQRLGO-UHFFFAOYSA-N 233.271 0.023 30 20 BCED C#CCN(CC#C)C(=O)[C@H]1CC[C@H]1C(=O)OC 285990414 HAQZDUSWOUUXOX-WDEREUQCSA-N 233.267 0.281 30 20 BCED C=C(C)CNC(=O)c1cc2n(n1)CCO2 290252847 AFKNEYZVPRFESE-UHFFFAOYSA-N 207.233 0.581 30 20 BCED N#CCCOCCN[C@@H](C(=O)O)C1CC1 385330180 UJNVIRYJUXCGRA-SECBINFHSA-N 212.249 0.369 30 20 BCED COc1ccc(NC(=O)NCC2(C#N)CC2)nn1 551953600 LULIYWKSDTXRRA-UHFFFAOYSA-N 247.258 0.910 30 20 BCED C#CCO[C@H](C)C(=O)NC[C@H]1CCCO1 295351372 AQABSTLKGFTWPQ-NXEZZACHSA-N 211.261 0.320 30 20 BCED C=C(C)CCN1[C@@H](C)C(=O)N(C)S1(=O)=O 295458230 WZWGPOXQDLXTRH-QMMMGPOBSA-N 232.305 0.360 30 20 BCED CC#CCN(C)C(=O)N[C@H](C)C(=O)N(C)CC 298177607 CWFXBWMMUPZHNV-SNVBAGLBSA-N 239.319 0.518 30 20 BCED CC#CC(=O)N(C)CC(=O)NCc1ccco1 801107122 CWMSRIVCYWOJAA-UHFFFAOYSA-N 234.255 0.378 30 20 BCED CCNC(=O)[C@@H](NC(=O)CC#N)C(C)C 294332712 MDHNXHKOJYFHAA-VIFPVBQESA-N 211.265 0.177 30 20 BCED CN(C)c1cc(C#N)cc(C(=O)NCCO)c1 292547303 RFZHNKLMQWKSEH-UHFFFAOYSA-N 233.271 0.346 30 20 BCED C=C(C)[C@H](CC(=O)NCC#CCO)OCC 299096442 VRYROMQLFSBBJJ-NSHDSACASA-N 225.288 0.470 30 20 BCED CCOC(=O)[C@@H](CC)C(=O)NC[C@@H](C)C#N 562707477 LPWBMTNWDDCRFA-IUCAKERBSA-N 226.276 0.852 30 20 BCED CO[C@H](C)CN(C)C(=O)NC[C@@H](C)C#N 563883608 CHOXJTLKQNZKLF-DTWKUNHWSA-N 213.281 0.822 30 20 BCED C#CCONC(=O)c1cnc(C2CC2)nc1N 291056345 JFLRHYNODXDCRO-UHFFFAOYSA-N 232.243 0.231 30 20 BCED CC/C=C(\C)C(=O)NCC(=O)NCC#N 804821532 QORPYMROPJEASE-XBXARRHUSA-N 209.249 0.099 30 20 BCED C[C@@H]1C[C@@H](C(=O)NCC2(C#N)CC2)CO1 562437163 XCVJTIHBLFRDPQ-RKDXNWHRSA-N 208.261 0.831 30 20 BCED C=CCOCCN[C@H](C1CC1)[C@H]1CNCCO1 643479664 YZEVEVBADXNOFK-CHWSQXEVSA-N 240.347 0.546 30 20 BCED O=C(CCCc1ccccn1)NCC#CCO 646128026 QAIYSJBNQLRFIA-UHFFFAOYSA-N 232.283 0.516 30 20 BCED C=C[C@](C)(O)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 810083910 WZHZNSFQOSTMPA-NSHDSACASA-N 245.242 0.419 30 20 BCED COCCCONC(=O)c1ccc(C#N)o1 816660693 MNKYHKUPZQGRCN-UHFFFAOYSA-N 224.216 0.849 30 20 BCED C#CCCCCC(=O)N[C@H]1CCCN(O)C1=O 816758074 IBGXGNWKWGRPTI-JTQLQIEISA-N 238.287 0.676 30 20 BCED COc1ccc(O)c(C(C)=NNCC(=O)O)c1 814958612 FZGRHXHLTAVLAB-UHFFFAOYSA-N 238.243 0.799 30 20 BCED CC#CC[C@@H](CO)NC(=O)/C=C\c1cnn(C)c1 717784138 ONPBVAJRZUKHKK-DGMVEKRQSA-N 247.298 0.324 30 20 BCED C#CCONC(=O)c1ccc(-c2nc[nH]n2)cc1 812787605 ZYCNWGYEYLNGJL-UHFFFAOYSA-N 242.238 0.766 30 20 BCED C#CCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 713049297 KBKUZJOBKKQLQA-PTRXPTGYSA-N 236.271 0.562 30 20 BCED COCCCNC(=S)NN=CC1(C)COC1 814734516 LVSQUQCVYLDSFD-UHFFFAOYSA-N 245.348 0.509 30 20 BCED C=CCOCCNC(=O)N[C@H]1CC[C@H](CN)C1 659555735 SRXUIBNMRGUJIT-QWRGUYRKSA-N 241.335 0.616 30 20 BCED C#CC[C@H](CO)NC(=O)C(C)(C)CCOC 816673836 JMXPSYKCWALMJS-SNVBAGLBSA-N 227.304 0.550 30 20 BCED C=CCCCCOC(=O)CN1CCOCC1=O 811013209 MBPKDYMORNOTJO-UHFFFAOYSA-N 241.287 0.745 30 20 BCED CC(C)(O)c1ccc(C=NNCCO)cc1 814942514 GJSMMDZEHHXTBX-UHFFFAOYSA-N 222.288 0.830 30 20 BCED C=CCOCCNC(=O)N[C@@H](CO)CCF 651019787 MUXHJHOTQMZONC-SECBINFHSA-N 234.271 0.209 30 20 BCED CC(C)n1cncc1C=NNCC(=O)O 819812724 GPCSJEKJTAECMQ-UHFFFAOYSA-N 210.237 0.472 30 20 BCED C=C(CC)CNC(=O)[C@@H]1CC[C@@H]1C(N)=O 570696761 QQKUTEITDMWQPT-DTWKUNHWSA-N 210.277 0.580 30 20 BCED CC1CN([C@H](C)C(=O)N2CCOC[C@H]2C#N)C1 579990718 KVHGXTMEENKORY-GHMZBOCLSA-N 237.303 0.078 30 20 BCED C#CC[C@H](CO)NC(=O)c1cc(N(C)C)ccn1 820059844 NXUYCGKUAFSCBX-SNVBAGLBSA-N 247.298 0.262 30 20 BCED C#C[C@@H](C)NC(=O)N1CC[C@@H](CN(C)C)C1 820416380 DVQOIEYANAESNC-MNOVXSKESA-N 223.320 0.601 30 20 BCED C=C[C@@](C)(O)C(=O)N1CC(Oc2ccncc2)C1 668085300 JRAZBEYGTJWRHD-CYBMUJFWSA-N 248.282 0.608 30 20 BCED C#C[C@H](C)NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 820435580 LLVLHXCMSJGIIF-IUCAKERBSA-N 239.319 0.611 30 20 BCED CCn1cc(C(=O)NCC(C)(C)CC#N)nn1 822399320 QHYALLALQNLINX-UHFFFAOYSA-N 235.291 0.968 30 20 BCED C#C[C@@H](C)N(C)c1cc2nncn2c(C)n1 491544008 JLSUIOCSHCVBDF-MRVPVSSYSA-N 215.260 0.891 30 20 BCED C#C[C@@H](C)NC(=O)[C@H](C(=O)OCC)C(C)C 822081429 DUKPTEZKZDGSLY-NXEZZACHSA-N 225.288 0.960 30 20 BCED CC1(C)C[C@]1(C#N)NC(=O)CN1CCCC1 823040247 KZYYHALHYQIDEC-GFCCVEGCSA-N 221.304 0.891 30 20 BCED C#C[C@@H](CCC)NC(=O)CC(=O)OCC 491635366 WJHMIRGUSLOEEK-VIFPVBQESA-N 211.261 0.858 30 20 BCED C#C[C@H](C)NC(=O)N1CCN(C2CCC2)CC1 820435306 HVJRQFBVZUELHT-NSHDSACASA-N 235.331 0.888 30 20 BCED COC(=O)NCCNc1ncc(C#N)cc1F 496557451 CINCZCDQGBDUOY-UHFFFAOYSA-N 238.222 0.860 30 20 BCED N#CCCCCS(=O)(=O)N1CC[C@@H]1CO 907824604 BSXVRPGYNCVTKO-SECBINFHSA-N 232.305 0.077 30 20 BCED C=CCNC(=O)CSCCS(C)(=O)=O 730465916 FLVFQZXZLYVLRH-UHFFFAOYSA-N 237.346 0.066 30 20 BCED C#CCN(C)C(=O)N[C@@H](C)COCCOC 491279179 XESRMOCJWXRPPR-JTQLQIEISA-N 228.292 0.313 30 20 BCED C=CC[C@H](CC)NC[C@H](O)C[C@]1(O)CCOC1 905245947 ZJNLCCAYMHXFHD-YNEHKIRRSA-N 243.347 0.833 30 20 BCED N#Cc1cccc(C(=O)N(CCCO)C2CC2)n1 589844107 ACMHWCOWULDTGR-UHFFFAOYSA-N 245.282 0.940 30 20 BCED CCC#C[C@H](C)Sc1nnc(C)c(=O)n1N 839987182 ZUOHZACYJAFKFH-ZETCQYMHSA-N 238.316 0.555 30 20 BCED O=C(C#CC1CC1)N(CCCO)C1CC1 837503440 HGHOGMLGHIIJKH-UHFFFAOYSA-N 207.273 0.773 30 20 BCED C[C@H](OC(=O)c1ccc(C#N)cn1)C(=O)N(C)C 730893061 JSPJKCOGVRZVSP-QMMMGPOBSA-N 247.254 0.587 30 20 BCED C=CCCn1nc(C(=O)OC)cc1C(=O)O 833374875 KUDQXXCSOCEQKX-UHFFFAOYSA-N 224.216 0.944 30 20 BCED C#Cc1cncc(C(=O)N[C@H](CC)[C@H](C)O)c1 836863544 ZYRNDHUNZMNDTG-JOYOIKCWSA-N 232.283 0.952 30 20 BCED C#CCOC(=O)c1ccnc(-n2cncn2)c1 738622423 IBSHTYQFHYYSCY-UHFFFAOYSA-N 228.211 0.452 30 20 BCED C[C@H](CC#N)NC(=O)CCCNC(=O)O 736540765 LFIWTESGHVLVGA-SSDOTTSWSA-N 213.237 0.453 30 20 BCED COC[C@H](C)CC(=O)N(CC#N)CC(=O)O 831638498 YGYOAXVXFYFUEC-MRVPVSSYSA-N 228.248 0.096 30 20 BCED C[C@H](C#N)N(C(=O)CCC(N)=O)C1CC1 912412090 YIHRPRFSDTVXBM-SSDOTTSWSA-N 209.249 0.155 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N)C1 911624354 RTNASVCOQLTGBU-WOPDTQHZSA-N 238.331 0.917 30 20 BCED CN(C(=O)c1cnon1)C1CCN(CC#N)CC1 1006171196 YPRBVFGWXMAUHD-UHFFFAOYSA-N 249.274 0.130 30 20 BCED C#CCO[C@@H](C)C(=O)N1CC[C@](F)(C#N)C1 830012558 CWSWJTYZQUODTI-ONGXEEELSA-N 224.235 0.489 30 20 BCED C=C[C@H](C)ONC(=O)c1cnc(C)n1C 911903865 YRKKYJGSCQEBDZ-ZETCQYMHSA-N 209.249 0.964 30 20 BCED CC#CCN(C)C(=O)[C@H](C(=O)O)C(C)C 911704274 UMESWKXAQALQJP-SECBINFHSA-N 211.261 0.825 30 20 BCED CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@](O)(CC#N)C1 592844209 VLOYCGPMWLFKFM-UMNHJUIQSA-N 238.287 0.288 30 20 BCED C[C@@H](C#N)OC(=O)c1ccc(NCC(N)=O)cc1 919467842 IOACUKYRFBYUOL-QMMMGPOBSA-N 247.254 0.653 30 20 BCED CNS(=O)(=O)CCN1CCC[C@@H](CC#N)C1 598625175 MKBLESPZAUXYDO-JTQLQIEISA-N 245.348 0.161 30 20 BCED CN1C[C@@H](N(C)C(=O)C#CC2CC2)CCC1=O 848129333 PJJIKPISUBQJJX-NSHDSACASA-N 234.299 0.479 30 20 BCED C=C[C@@H](C)NC(=O)c1cn(CCC)nn1 678012019 BNPGAVXFIMYATF-MRVPVSSYSA-N 208.265 0.992 30 20 BCED C#CCCCONC(=N)c1cc(OC)ncn1 842073955 PMTKRNSGWVFYKF-UHFFFAOYSA-N 234.259 0.745 30 20 BCED CC[C@H](CC#N)NCC(=O)NCc1ccccn1 846990179 BGMABAJHSNOLDT-LLVKDONJSA-N 246.314 0.980 30 20 BCED C#CCN(CC#CC)C(=O)c1ccnc(C)n1 742002677 HCDMSEKAWJBOPQ-UHFFFAOYSA-N 227.267 0.884 30 20 BCED N#CC[C@@H]1CCCN(CCc2cnn[nH]2)C1 595623926 YXBZHRNOUBYRRJ-JTQLQIEISA-N 219.292 0.973 30 20 BCED C[C@H](COCC1CC1)Nc1cc(C#N)cnn1 596295812 ORVFCKLNBLMNHD-SECBINFHSA-N 232.287 1.575 30 20 BCED C=C(C)CONC(=O)NCCCOCCO 845605197 HNTFSXLXXTXLKF-UHFFFAOYSA-N 232.280 0.192 30 20 BCED N#CC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 844017377 FZTYWOQZSCSQIK-LBPRGKRZSA-N 218.256 0.277 30 20 BCED CC[C@@H](C#N)C(=O)N[C@H]1CC(C)(C)OC1=O 845868141 VKDXEGJQXFVFMT-YUMQZZPRSA-N 224.260 0.746 30 20 BCED COCCN(CC#N)C[C@H](O)CC(C)(C)C#N 598621514 UZCGPFHTFVTJHO-LLVKDONJSA-N 239.319 0.759 30 20 BCED C=C[C@H](CO)NC(=O)c1ncccc1N(C)C 912716254 FDZSIYKTYZVNRQ-SECBINFHSA-N 235.287 0.424 30 20 BCED C=C[C@@H](C)ON1C(=O)NC2(CCC2)C1=O 843314641 KBVGZVHFAHFGOK-SSDOTTSWSA-N 210.233 0.967 30 20 BCED COCC(C)(C)C(=O)NCC#CCN(C)C 913520106 CSHQVFLDQKFBQF-UHFFFAOYSA-N 226.320 0.340 30 20 BCED C#C[C@@H](NC(=O)c1ccn(CC)n1)[C@H]1CCCO1 843579056 QHWGTNACDDCESJ-ZYHUDNBSSA-N 247.298 0.814 30 20 BCED Cn1cc(CCCN2CC[C@](O)(CC#N)C2)cn1 592146398 HJCCPPOHPOGFCA-CYBMUJFWSA-N 248.330 0.703 30 20 BCED C#CCSCCNC(=O)N[C@@H](CN)C1CC1 841832617 QZAWMPRFAQLGLI-JTQLQIEISA-N 241.360 0.389 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@H]1c1ncccn1 912646982 NZUYOAUACCGFSA-UWVGGRQHSA-N 233.271 0.687 30 20 BCED C=C(CC)CNC(=O)NCCOCC(=O)OC 599071612 ZWMWPMVSGCEIET-UHFFFAOYSA-N 244.291 0.441 30 20 BCED C=C(C)CONC(=O)CCCCCNC(N)=O 846663353 UEQPKEBHMXWSFG-UHFFFAOYSA-N 243.307 0.839 30 20 BCED N#CCN[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1018736834 GSPJNUQZWCVCAW-JTQLQIEISA-N 243.270 0.214 30 20 BCED CC(C)(C)CNC(=O)CN1CCOC[C@@H]1C#N 599332395 QWJXQJLWRKFGGT-JTQLQIEISA-N 239.319 0.373 30 20 BCED CCONC(=O)CNc1cccc(C#N)n1 845713108 DXFASEOBPIRJBJ-UHFFFAOYSA-N 220.232 0.433 30 20 BCED Cc1oc(C#N)cc1C(=O)N[C@@H]1C[C@@H](C)OC1=O 848074487 RLWOHLJVHBPKKS-LHLIQPBNSA-N 248.238 0.894 30 20 BCED CCCCN(C(=O)NCC#CCO)C1CC1 923785317 UANPYIWVLVSXSZ-UHFFFAOYSA-N 224.304 0.956 30 20 BCED C[C@H](N)CN(C)S(=O)(=O)c1ccc(C#N)o1 858639726 GMVCQQPUOAIXGD-ZETCQYMHSA-N 243.288 0.119 30 20 BCED C#C[C@@H](CC)NC(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 854078230 JSDUYEVXGSFBIL-UKKRHICBSA-N 222.288 0.278 30 20 BCED CC[C@H](O)CNN=Cc1nnn(C(C)(C)C)n1 853347189 RZVPYMJKRDQBEK-QMMMGPOBSA-N 240.311 0.123 30 20 BCED C#CC[C@H](CO)NC(=O)C[C@H](C)c1cnn(C)c1 854549721 QXSRVHOWRRVSMO-CMPLNLGQSA-N 249.314 0.414 30 20 BCED C#CCCCNC(=O)N(C)C[C@@H](O)C1CC1 757710385 BIEKOSWGTSEWMW-LLVKDONJSA-N 224.304 0.812 30 20 BCED C=CCN[C@H]1C[C@@H](NC(=O)Cn2ccc(C)n2)C1 1022732687 QZTPAVLNHCTPNL-TXEJJXNPSA-N 248.330 0.614 30 20 BCED COC[C@H](C#N)OC(=O)[C@@H](O)CC(C)(C)C 750814143 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224.304 0.531 30 20 BCED C=CCCOC(=O)c1cc(C(=O)OC)nn1C 869822762 ASYFLOZOSCQNQD-UHFFFAOYSA-N 238.243 0.940 30 20 BCED N#CCc1ccccc1C(=O)N[C@@H]1COC(=O)C1 868471801 CXJIDVQKIDBPKK-JTQLQIEISA-N 244.250 0.798 30 20 BCED C[C@H](C#N)C(=O)NC/C=C/CNc1ncccn1 1107080784 SFQIQOINECUDAC-VMZHVLLKSA-N 245.286 0.721 30 20 BCED C#C[C@@H](NC(=O)[C@@H](O)CCC)[C@H]1CCCO1 935458979 JXTYQVIQUANULH-OUAUKWLOSA-N 225.288 0.444 30 20 BCED C#CCCN1CC(NC(=O)C[C@H]2C[C@@H]2C)C1 1030901937 JDLJNKFAOWWVBM-WDEREUQCSA-N 220.316 0.856 30 20 BCED C#CCCOC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 765509936 WJIGPFSKKJOCAZ-VIFPVBQESA-N 247.254 0.329 30 20 BCED C[C@H](CC#N)NC(=O)C1(F)CCOCC1 865052871 IESQCHVQRKDUFY-MRVPVSSYSA-N 214.240 0.923 30 20 BCED C=CCCCNS(=O)(=O)CCn1cccn1 867208293 RTOHFYYLDBGLRI-UHFFFAOYSA-N 243.332 0.769 30 20 BCED C#C[C@H](NC(=O)/C=C\COC)[C@@H]1CCCO1 867498841 FQOJEOYVYSBMEJ-MGVUPCTHSA-N 223.272 0.486 30 20 BCED Cc1occc1C(=O)NC[C@@H]1CCN1CC#N 1038056470 VGKWHAVYMLRCGC-JTQLQIEISA-N 233.271 0.916 30 20 BCED CCCN1C[C@@H]2C(NC(=O)C#CC3CC3)[C@H]2C1 1114258563 VDOJZKRKQGQORF-RYUDHWBXSA-N 232.327 0.856 30 20 BCED CC#CCN1CCC2(CCNC2=O)CC1 879917469 FQIVIRHPIDRQHB-UHFFFAOYSA-N 206.289 0.612 30 20 BCED CC(C)(C)C#CC(=O)NC[C@@H](N)C1CC1 876791640 OCROUKQPCMLFLN-SNVBAGLBSA-N 208.305 0.889 30 20 BCED C#C[C@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccc1 773586717 DRQOMZFASLAPOH-GXSJLCMTSA-N 245.282 0.534 30 20 BCED N#C[C@@H]1CCCN(C(=O)N[C@@H](CN)C2CC2)C1 1357461591 AMNPFEHNTOSYKT-ONGXEEELSA-N 236.319 0.669 30 20 BCED C#CC[C@H]1NC(=O)N(C[C@@]2(C)CCOC2)C1=O 877880537 DWMIEUTZYCMUAS-BXKDBHETSA-N 236.271 0.357 30 20 BCED C#CCCNC(=O)c1c(CO)noc1C 1118374857 XVYGPZNFZFJWON-UHFFFAOYSA-N 208.217 0.228 30 20 BCED C#CCCN1CCN(c2nnc(C)c(C)n2)CC1 775459600 MZTKRVUARRMNNN-UHFFFAOYSA-N 245.330 0.634 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H](CN)C2(F)F)C1 876932831 XKIQRYILNSFRON-JQCXWYLXSA-N 243.257 0.635 30 20 BCED C#C[C@H](C)NC(=O)COc1ccc(C(N)=O)cc1 772976618 PLQZMBSNNHAOKS-VIFPVBQESA-N 246.266 0.302 30 20 BCED C#C[C@@H](C)NC(=O)c1cccnc1OCCOC 772967279 VTABPRVPOTWINV-SNVBAGLBSA-N 248.282 0.858 30 20 BCED C#C[C@@H](C)NC(=O)NCc1ccc(C(N)=O)cc1 773594021 YXEORJDSZCZATA-SECBINFHSA-N 245.282 0.606 30 20 BCED C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H](C)N1 876530065 JVLHSCCXFKIPSQ-NXEZZACHSA-N 206.289 0.609 30 20 BCED CON=CC(=O)NC1CCN(C(C)(C)C)CC1 773854760 PLVCNAGWLUFEIH-UHFFFAOYSA-N 241.335 0.998 30 20 BCED C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](N)C1 870968553 YDEWACYZGRAFRA-GARJFASQSA-N 226.320 0.821 30 20 BCED C=C(CO)C(=O)NCc1ccc(C)nc1 773822089 MOVQIDLGRNJJKS-UHFFFAOYSA-N 206.245 0.555 30 20 BCED CN(CCC#N)C(=O)CCN[C@H](CO)C1CC1 771816410 WYMRLQXYEGLPMS-LLVKDONJSA-N 239.319 0.109 30 20 BCED C[C@H](C#N)CN(C)c1nccn(C)c1=O 61747323 MISIBKMABPLCMJ-MRVPVSSYSA-N 206.249 0.376 30 20 BCED C#CCNCCNC(=O)CC1(COC)CC1 1126976259 UTRYFAOQVPXKTA-UHFFFAOYSA-N 224.304 0.142 30 20 BCED CON=CC(=O)N(C)C[C@@H]1CCC[C@H]1O 774080539 ICWAEFPLBXJLKH-DTWKUNHWSA-N 214.265 0.238 30 20 BCED C=CCCNCCNC(=O)[C@H]1C[C@H]1OCC 1124145988 AGTIAKQWJHKIHQ-WDEREUQCSA-N 226.320 0.693 30 20 BCED C#C[C@H](C)NC(=O)N[C@H](C(N)=O)[C@@H](C)CC 889335680 MXVNZEWFINGDOS-CIUDSAMLSA-N 225.292 0.207 30 20 BCED C=CCN1CC[C@H](N(CC)[C@H]2CCNC2)C1=O 886848924 UITYTLHHXDUDSX-RYUDHWBXSA-N 237.347 0.457 30 20 BCED C=C(C)CCC(=O)NCCNCC(=O)N(C)C 1128404775 CZQWGMJPXRYYEH-UHFFFAOYSA-N 241.335 0.137 30 20 BCED C#CCOCCNS(=O)(=O)CCCCC#N 784455389 ZEYKASDDWBGTLU-UHFFFAOYSA-N 244.316 0.249 30 20 BCED C#CCSCC(=O)OCC(=O)OCC 885889900 VNVIJLNMCOOXSC-UHFFFAOYSA-N 216.258 0.459 30 20 BCED C=CCN1C[C@H]2C(NC(=O)c3ccnn3C)[C@@H]2C1 958366889 ZQVZVLJBZDSVAT-NXEZZACHSA-N 246.314 0.266 30 20 BCED C=CCOC[C@@H](N[C@H](C)CCO)C(=O)OC 894192958 AFHKTUYFTXOXHL-NXEZZACHSA-N 231.292 0.091 30 20 BCED CC#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3CC34CC4)[C@H]2C1 961887641 MCTHOTYMYYDDLH-QNWHQSFQSA-N 244.338 0.856 30 20 BCED C#CCOCCNC(=O)c1cc(C#N)c[nH]1 783936963 KGOAPVYECCDFPE-UHFFFAOYSA-N 217.228 0.266 30 20 BCED N#Cc1cc([N+](=O)[O-])ccc1N1CC(C(=O)O)C1 71173421 OEPURNQBSJOWAR-UHFFFAOYSA-N 247.210 0.987 30 20 BCED C=CCNCCNC(=O)[C@H](C)c1cncnc1 1132816758 XTXBXNNKMRPHKK-SNVBAGLBSA-N 234.303 0.472 30 20 BCED Cn1nncc1S(=O)(=O)OCC(F)(F)F 788415258 FNJGQSRSLJNKAZ-UHFFFAOYSA-N 245.182 0.083 30 20 BCED C#CCOCCOC(=O)c1cc(C)nc(O)c1 782616267 OUWIMSZREUHVTF-UHFFFAOYSA-N 235.239 0.902 30 20 BCED C#CCNCCNC(=O)c1cc(C)cc(C)n1 1130666805 YSMGCPSDKHJDKP-UHFFFAOYSA-N 231.299 0.651 30 20 BCED C#Cc1cnc(N(CC)CCC(=O)NC)nc1 896980306 PKDWWKKEBMKHCG-UHFFFAOYSA-N 232.287 0.420 30 20 BCED C[C@@H](N[C@H]1CCCN(O)C1=O)C1CCOCC1 895162432 ZLOVEOOYFMXFHI-KOLCDFICSA-N 242.319 0.771 30 20 BCED C#CCNCC(=O)N(C)Cc1c(C)noc1C 92492921 KZOXEKQHVZGAQK-UHFFFAOYSA-N 235.287 0.473 30 20 BCED CC#CCS(=O)(=O)NC(=O)c1ccco1 791111467 SINRDBJNAQXKID-UHFFFAOYSA-N 227.241 0.363 30 20 BCED C[C@H](C(=O)NCCNCC#N)[C@@H]1CCCO1 1133529939 YCQPYMOUNZJPAN-UWVGGRQHSA-N 225.292 0.031 30 20 BCED Cc1noc([C@H](C)NCCO[C@@H](C)C#N)n1 393790327 YICWZZOPJZZZRJ-YUMQZZPRSA-N 224.264 0.957 30 20 BCED C=CCCNC(=O)N1CC[C@H](C(=O)O)C1 168908307 REIPGSYKNDZKOA-QMMMGPOBSA-N 212.249 0.679 30 20 BCED C#CCNC(=O)CN(CC1CCC1)[C@H](C)CO 796546689 NDPXTIXDZGCIAL-LLVKDONJSA-N 238.331 0.219 30 20 BCED CC[C@H](C#N)C(=O)N[C@H]1CCN(CC)C1=O 593685306 OWRIMGIPJZVRPP-BDAKNGLRSA-N 223.276 0.273 30 20 BCED C#CCN(C)[C@@H]1CCN(C(=O)[C@H](F)CC)C1 972091823 ZPGZNGHUFXYUFK-GHMZBOCLSA-N 226.295 0.900 30 20 BCED C#CCNC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C 399532174 SQKOEKFJDAKSCC-DCAQKATOSA-N 208.305 0.712 30 20 BCED CC(=NNC(=S)N(C)C)c1ccnc(O)c1 790295604 KFKIKLJMOUXKPX-UHFFFAOYSA-N 238.316 0.947 30 20 BCED C=CC[C@@H](CO)CNC[C@@]1(OC)CCOC1 638831321 YLOYUFMPUVHJES-NEPJUHHUSA-N 229.320 0.566 30 20 BCED Cn1cc(CC(=O)NCC2(C#N)CCC2)cn1 1142434101 SYKKBBPGRWUHOF-UHFFFAOYSA-N 232.287 0.773 30 20 BCED Cc1cc(O)nc(NN=C2C(=O)OC[C@H]2C)n1 794857844 YGVHTNSQUYLNEZ-RXMQYKEDSA-N 236.231 0.451 30 20 BCED C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(C#N)o1 707336048 KRVZVHBZHUXAJS-MRVPVSSYSA-N 247.254 0.502 30 20 BCED N#Cc1ccc(N2CCO[C@@H]3C[C@@H]32)nc1N 594582433 VKAOYANKJVZHGL-DTWKUNHWSA-N 216.244 0.513 30 20 BCED C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 1076736543 YMXRKCJDEIQKME-VXGBXAGGSA-N 249.314 0.366 30 20 BCED C[C@H](C#N)OCCOC(=O)CCc1cncnc1 796166294 GDXDUAOQUIEYCO-SNVBAGLBSA-N 249.270 0.881 30 20 BCED CC#CC[C@@H](CO)Nc1nccnc1C 645407199 MHQNOUOKVRBFGI-JTQLQIEISA-N 205.261 0.971 30 20 BCED C[C@@H](C#N)S(=O)(=O)N1CCC[C@H]1C(C)(C)O 581737836 UDNZYCTVGGPSCW-IUCAKERBSA-N 246.332 0.464 30 20 BCED C#CCCS(=O)(=O)NC(=O)C[C@H](C)CC 798202895 NXJQMPPEABUENM-SECBINFHSA-N 231.317 0.892 30 20 BCED N#C[C@H]1CN(CCCN2CCOC2=O)CCO1 730061731 FQFHPLSGUIZCLP-JTQLQIEISA-N 239.275 0.053 30 20 BCED O=C1CCCN1CC#Cc1ncccn1 585145186 GTDIQJJKYOROLV-UHFFFAOYSA-N 201.229 0.451 30 20 BCED C=CCN1C[C@@H](NC(=O)c2nc[nH]n2)C(C)(C)C1 977364067 PCSBONJJFPVILZ-SECBINFHSA-N 249.318 0.431 30 20 BCED N#Cc1ccc(S(=O)(=O)N2CC(C#N)C2)cc1 590092494 KKPWRYJUDBTDKV-UHFFFAOYSA-N 247.279 0.702 30 20 BCED CC#CCNCCNC(=O)CCN(C)CC 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C=C(C)C[C@H](C)C(=O)NC[C@@](C)(O)C(=O)O 1588535687 KJYXDJZTJSYZBV-GZMMTYOYSA-N 229.276 0.541 30 20 BCED C=C(CCC(=O)O)C(=O)N[C@@H](CCC)C(N)=O 1588630100 DCMNJPGLWUHJLX-QMMMGPOBSA-N 242.275 0.178 30 20 BCED C=C(CN(C)C)C(=O)N[C@H]1CC=C(C(=O)O)C1 1588636736 SFFMRCJAFDDCLL-JTQLQIEISA-N 238.287 0.394 30 20 BCED C=C[C@H](C(=O)O)n1cc([C@@H](C)NC)nn1 1588670013 TXRWFKUXBDSNJJ-HTRCEHHLSA-N 210.237 0.370 30 20 BCED C[C@@H](/C=C/C(=O)O)NC(=O)c1c[nH]c(C#N)c1 1592201376 NFEIDYOSTGFJML-AIYRYJHASA-N 233.227 0.645 30 20 BCED O=C(O)CCNN=C1CCCn2nccc21 1595061040 YIJDHMDRPBFHTD-UHFFFAOYSA-N 222.248 0.445 30 20 BCED CC[C@@](C)(NC(=O)c1cc(C#N)[nH]c1C)C(N)=O 1598091264 VEQBEFRRRHFPMD-GFCCVEGCSA-N 248.286 0.579 30 20 BCED C#CCN(CC(=O)O)Cc1ccc(Cl)nn1 1602695431 FVSXWKFCQVTKRS-UHFFFAOYSA-N 239.662 0.650 30 20 BCED C=C[C@H](C(=O)O)N1CC[C@@H](C)S(=O)(=O)CC1 1602803533 DEOORCOSYPWBDH-RKDXNWHRSA-N 247.316 0.135 30 20 BCED C=C[C@@H](C(=O)O)N1CCN([C@@H](CC)CO)CC1 1602804552 PLJQWCWPPICKFG-QWRGUYRKSA-N 242.319 0.014 30 20 BCED C=C[C@H](C(=O)O)N1CCN2C(=O)OCC[C@H]2C1 1602805662 FGHZKVKGQIKOKF-DTWKUNHWSA-N 240.259 0.152 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@@H](CC(=O)O)C1CC1 1602809944 PWBBADYSAZRDQC-CABZTGNLSA-N 241.287 0.683 30 20 BCED Cc1oc(-c2nn[nH]n2)cc1C(=O)NCCC#N 1606167644 RYRRQEMHOQISAQ-UHFFFAOYSA-N 246.230 0.412 30 20 BCED N#CCCCOC(=O)c1coc(-c2nn[nH]n2)c1 1606348260 PITYBMJXCNXJRJ-UHFFFAOYSA-N 247.214 0.920 30 20 BCED N#CCCCC(=O)Nc1n[nH]c(CC(=O)O)n1 1608180656 XODMJQSZPWZGLV-UHFFFAOYSA-N 237.219 0.064 30 20 BCED C#CC[C@H](N[C@@H](C)C[C@H]1CCOC1)C(=O)O 1609089015 AVOJHRQGCBQKMP-AXFHLTTASA-N 225.288 0.868 30 20 BCED CC[C@H](C#N)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 1641105068 XYYRPFOOKLOANO-MXWKQRLJSA-N 221.304 0.699 30 20 BCED N#Cc1c(F)cccc1Oc1nc(N)nc(N)n1 1651654262 BWKJMHFHCRZWQB-UHFFFAOYSA-N 246.205 0.839 30 20 BCED CC(C)(C#N)CCN1CCn2c(CO)nnc2C1 1653705247 WFXFFXRFRQYNPL-UHFFFAOYSA-N 249.318 0.526 30 20 BCED N#Cc1cc(=O)n(CC(=O)c2ccccc2)cn1 1656675536 VSRGIRUETCNQSW-UHFFFAOYSA-N 239.234 0.998 30 20 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0.200 30 20 BCED CC(C)(C#N)CNC(=O)NCC1(CO)CC1 611637567 BZPPUMWIBADPEY-UHFFFAOYSA-N 225.292 0.608 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](C)Cc1cccc(O)c1 612619471 SPEQRIVKPJTCLH-CABZTGNLSA-N 235.283 0.986 30 20 BCED N#CCC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 613984381 VFFOGQOTADBVNP-ZJUUUORDSA-N 224.260 0.306 30 20 BCED COCCN(CCC#N)C[C@H](O)CSC 614559115 CDMHMRORLSMGKL-JTQLQIEISA-N 232.349 0.572 30 20 BCED N#C[C@@]1(F)CCN(C(=O)[C@H]2CCCOC2)C1 615588793 VHFPEVRHZYIMQJ-ONGXEEELSA-N 226.251 0.877 30 20 BCED C=C(C)CCNC(=O)[C@H](CCC)S(N)(=O)=O 615824826 AAGBXFKIFAYINM-VIFPVBQESA-N 248.348 0.526 30 20 BCED C=C[C@@H](O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 616452016 MLLCDLSHPWETLI-RKDXNWHRSA-N 240.303 0.049 30 20 BCED C=C[C@H](Nc1cnn(CCOC)c1)C(=O)OC 619703556 MZROHQZLWACTAM-JTQLQIEISA-N 239.275 0.669 30 20 BCED CCC#C[C@@H](C)N1C[C@@H](CO)[C@H](CO)C1 625708225 RFFIVEIJZLRYCQ-WOPDTQHZSA-N 211.305 0.321 30 20 BCED COCC#CCN1CCO[C@@H]2CCC[C@@H]21 625853059 LJYLEQHIOUSBBL-NWDGAFQWSA-N 209.289 0.890 30 20 BCED C=CCn1cc(C(=O)NCc2conc2C)nn1 633280184 JAPABYGTMBCHAH-UHFFFAOYSA-N 247.258 0.691 30 20 BCED C=C(C)CCNC(=O)CCCc1nn[nH]n1 635986778 SFVHWGVLLNBNRH-UHFFFAOYSA-N 223.280 0.605 30 20 BCED C=CCOCCNC(=O)[C@H](CC)[C@@H](C)O 642939189 MPEJMTQDXZBDRK-NXEZZACHSA-N 215.293 0.712 30 20 BCED CC#CCCNS(=O)(=O)C[C@H](OC)C(C)C 645642808 JCVXMROYGPZUKC-NSHDSACASA-N 247.360 0.990 30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@@H](N(C)C)C1 646795955 CXZAVAVTDITEIM-NXEZZACHSA-N 212.293 0.086 30 20 BCED C=CCCS(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C 647888704 MNCOZKHKWKHOPX-WDEREUQCSA-N 246.376 0.917 30 20 BCED COCC#CCN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 650020734 SIHOFHNZMGECMO-WUHRBBMRSA-N 219.284 0.521 30 20 BCED C=CCCc1noc([C@H]2CCS(=O)(=O)N2)n1 650620232 XOVZSUPCBGGMMG-SSDOTTSWSA-N 243.288 0.552 30 20 BCED C=C(C)CCNC(=O)NCc1cn(C)nn1 651133368 VWILTQVQHYNRBF-UHFFFAOYSA-N 223.280 0.581 30 20 BCED C=CCC[C@H](CO)NC(=O)c1nc(C)no1 654299740 QGQJLKQJFWMKOI-MRVPVSSYSA-N 225.248 0.435 30 20 BCED C=CCCNC(=O)NCCCN1CCOCC1 663404498 HHROIERQSYBTSL-UHFFFAOYSA-N 241.335 0.584 30 20 BCED C=CCOCCNC(=O)Nc1nnn(C)c1C 667255550 RXKUONLZSLXTKF-UHFFFAOYSA-N 239.279 0.448 30 20 BCED C=C[C@@H](O)C(=O)NCc1ncc(CC)s1 669291294 SCNUENBMYPFXSB-MRVPVSSYSA-N 226.301 0.869 30 20 BCED COCC#CCN1CC(=O)N[C@H]2CCCC[C@@H]21 677820559 QLGHEMUYEDNXKT-RYUDHWBXSA-N 236.315 0.379 30 20 BCED C#CCNC(=O)c1cc2c(s1)CCNC2 688011948 ZRXIYYMSDIGIGN-UHFFFAOYSA-N 220.297 0.757 30 20 BCED C[C@@]1(CO)CCCN(C(=O)CSCC#N)C1 688079664 AARKOUKAYLFLGW-LLVKDONJSA-N 242.344 0.864 30 20 BCED C#CCN(CC#CC)CC1CCNCC1 688105953 JCKNERRWLOUTKD-UHFFFAOYSA-N 204.317 0.945 30 20 BCED C#CCNCC(=O)N[C@H]1CCN(C(C)(C)C)C1 693909268 DMSGNSQHARHIRW-NSHDSACASA-N 237.347 0.198 30 20 BCED N#C[C@@H]1CCCN(C(=O)CCn2cncn2)C1 701330533 ZPAFFZXAAUFHQL-JTQLQIEISA-N 233.275 0.430 30 20 BCED C[C@]1(C(=O)N2CCC[C@H](C#N)C2)CCNC1 703418445 YTEALYGSUUVBKS-PWSUYJOCSA-N 221.304 0.748 30 20 BCED C[C@H](CN)NC(=O)Cc1ccc(C#N)cc1 704665840 RHDFKIFPOYKQRU-SECBINFHSA-N 217.272 0.564 30 20 BCED CCC[C@H](CN/C(=N/C)NC)OCC 705368068 IYPGTDJZYJJYGH-SECBINFHSA-N 201.314 0.986 30 20 BCED Cc1nc(N2CC(n3cncn3)C2)ccc1C#N 707589954 IOKGOPBQURRGDQ-UHFFFAOYSA-N 240.270 0.915 30 20 BCED C=CCCS(=O)(=O)NCC(F)(F)C(=O)O 710456496 CXAUQZVURQVXPU-UHFFFAOYSA-N 243.231 0.202 30 20 BCED C#CC[C@H](CO)Nc1ncc([N+](=O)[O-])cn1 717799990 BKDGQBIBVFHGOL-SSDOTTSWSA-N 222.204 0.181 30 20 BCED C#CCC[C@H](O)CNC(=O)C1CCN(C)CC1 717852409 QWFGLKBSLWHTEI-LBPRGKRZSA-N 238.331 0.219 30 20 BCED C=CCC1(O)CN(C(=O)c2ccncc2)C1 720932365 IPZPLSDRMBDQGK-UHFFFAOYSA-N 218.256 0.845 30 20 BCED C#CCN1CCC[C@H]1C(=O)N(CC)CC#N 732308408 ZYEKLPRUAVXIPP-NSHDSACASA-N 219.288 0.456 30 20 BCED C#Cc1ccc(C(=O)NCC[S@](C)=O)nc1 735048526 WCFRSGLTXXFQMX-INIZCTEOSA-N 236.296 0.171 30 20 BCED C#C[C@H](C)OC(=O)Cc1c(C)nc(C)nc1O 744178008 IMTUCKZANPYJPL-ZETCQYMHSA-N 234.255 0.906 30 20 BCED C=CCCC(=O)OCCCNS(=O)(=O)CC 753366605 ZVAYHBSFWCEEPO-UHFFFAOYSA-N 249.332 0.825 30 20 BCED C#CCOCCOC(=O)[C@H]1C[C@H]2CC[C@H]1O2 762723343 NMRBLUTZYIECFB-OUAUKWLOSA-N 224.256 0.747 30 20 BCED C#C[C@@H](C)N(C)CC[C@@H]1CCS(=O)(=O)C1 769961740 NCXAERNEXOQIEU-GHMZBOCLSA-N 229.345 0.765 30 20 BCED NC(=O)CON=Cc1cccc(F)c1O 771573970 CPAMKTPHXXTAHH-UHFFFAOYSA-N 212.180 0.367 30 20 BCED C#CCCCCC(=O)OCC1(CO)COC1 773629091 BPMMMICAMFAZHZ-UHFFFAOYSA-N 226.272 0.732 30 20 BCED C#CCCN(C)CCCN1CCN(C)CC1 778951017 PWEDGNMRDJYZEH-UHFFFAOYSA-N 223.364 0.579 30 20 BCED CC[C@H](CO)C(=O)N[C@](C)(C#N)COC 779812944 NTASPRHIIQMWFU-PSASIEDQSA-N 214.265 0.050 30 20 BCED CC(=O)[C@H]1CC(C(=O)NO)=NN1c1ccccc1 782170103 WEFJZPKTFCGTTK-LLVKDONJSA-N 247.254 0.716 30 20 BCED C#Cc1ccc(C(=O)N2C[C@H]3C[C@]3(CO)C2)cn1 783803140 SDOQUUVSDSHSJM-BXUZGUMPSA-N 242.278 0.517 30 20 BCED COC[C@@H](C#N)OC(=O)c1ccc2nncn2c1 785265419 HKKPBTCJLSKXPU-SECBINFHSA-N 246.226 0.425 30 20 BCED C#C[C@@H](C)NC(=O)[C@H](O)Cc1cccc(OC)c1 785420931 GISLPRNYMHRKSR-ZWNOBZJWSA-N 247.294 0.737 30 20 BCED C=C(Cl)CNC(=O)c1cncc(OC)n1 790654843 HYSVYLZGWGVPNH-UHFFFAOYSA-N 227.651 0.968 30 20 BCED CC#CCS(=O)(=O)NC(=O)CC(C)(C)C 791110592 FXDCYMBBCNTVRV-UHFFFAOYSA-N 231.317 0.892 30 20 BCED C=C(CO)C(=O)NCCc1cccc(OC)c1 791327920 RFSDMJDFLKGYTQ-UHFFFAOYSA-N 235.283 0.902 30 20 BCED C#C[C@@H](CCC)NC(=O)[C@@H]1CCN(C)C1=O 791743094 LOLJWCBXBXVXMA-UWVGGRQHSA-N 222.288 0.383 30 20 BCED COC[C@H](C)NN=Cc1c(C)cnn1C 794927664 PJVHRJHBPUWFSD-VIFPVBQESA-N 210.281 0.687 30 20 BCED C=CCC[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 794968061 NMARPRVPMNCCFR-WYUUTHIRSA-N 239.315 0.664 30 20 BCED C#CCOC(=O)CCC(=O)c1cnn(C)c1 796155631 ALNWYGNXPYVZBG-UHFFFAOYSA-N 220.228 0.559 30 20 BCED C#C[C@@H](C)OC(=O)c1ccc(C(=O)OC)[nH]1 796913331 QHYZYVPMVFHTRN-SSDOTTSWSA-N 221.212 0.980 30 20 BCED C#Cc1cncc(C(=O)N[C@H]2CCOC2)c1 798177359 GYJWWERWVKJJRA-NSHDSACASA-N 216.240 0.582 30 20 BCED CC#CC(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 801118200 OAPSTQPNMYXNQK-JTQLQIEISA-N 243.328 0.435 30 20 BCED CNC(=S)NN=Cc1cn(C(C)C)nn1 807943695 ZKLLGQFVHIBEJL-UHFFFAOYSA-N 226.309 0.287 30 20 BCED CON=CC(=O)N1CCc2ccc(O)cc2CC1 809647559 DAQAZWHULJUGKD-UHFFFAOYSA-N 248.282 0.952 30 20 BCED CON=CC(=O)NCc1ccc(C#N)cc1F 809667398 WKHXQUICOATZFG-UHFFFAOYSA-N 235.218 0.946 30 20 BCED C#CCONC(=O)Cc1cccc(C#N)c1 812782088 LQOJAKWMPBOMTL-UHFFFAOYSA-N 214.224 0.782 30 20 BCED C=C[C@@H](O)C(=O)O[C@H](C)c1noc(C)n1 814548295 SKOGQNQHGDDVRO-IYSWYEEDSA-N 212.205 0.529 30 20 BCED NC(=O)CON=Cc1nc2c(s1)CCCC2 814893468 SMLOWNNHALRHIQ-UHFFFAOYSA-N 239.300 0.858 30 20 BCED C=C(Cl)CNC(=O)[C@H]1CCc2nncn2C1 815659056 RSVRSOVDZDZHPB-QMMMGPOBSA-N 240.694 0.709 30 20 BCED CC(C)[C@@H](C)C(=O)N[C@@H]1CCCN(O)C1=O 816758922 ANEMRHPMZZVSPK-RKDXNWHRSA-N 228.292 0.775 30 20 BCED C=C(Br)CNC(=O)[C@H]1C[C@H]1N 818096225 QZXZAGBMUAAAIV-NTSWFWBYSA-N 219.082 0.358 30 20 BCED C=CCOCCNCCC(=O)N(C)OC 819217885 HUOULJRJALIPTA-UHFFFAOYSA-N 216.281 0.189 30 20 BCED C#CCNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 820208583 PHMZVWGTPZXPQO-LMLFDSFASA-N 218.256 0.214 30 20 BCED Cn1nc(C2CC2)cc1C(=O)N1CC(C#N)C1 820516584 YOHVPPSNXPZJSS-UHFFFAOYSA-N 230.271 0.893 30 20 BCED C#C[C@@H](CCC)NC(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 820660063 FNYSKJWXTVIEII-NNYUYHANSA-N 236.315 0.668 30 20 BCED C=CCCOCc1nc(N2CCNCC2)no1 823334384 DTQOGDFPPKEFQM-UHFFFAOYSA-N 238.291 0.572 30 20 BCED N#CC[C@@]1(O)CCN(c2ncnc3c2CCC3)C1 826618747 PHUJKWHYCVAOOC-CYBMUJFWSA-N 244.298 0.820 30 20 BCED CN(C(=O)CC(C)(C)C#N)c1nn[nH]n1 826668768 ZLKBCXZGMGXUSJ-UHFFFAOYSA-N 208.225 0.102 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@H](C(C)(C)O)C1 832454265 WGXIOHZKPNXHCF-UWVGGRQHSA-N 227.304 0.543 30 20 BCED C=CCC(CC=C)C(=O)N[C@H]1CNC[C@@H]1C#N 834479359 DJFMJCWMPKVWAO-RYUDHWBXSA-N 233.315 0.983 30 20 BCED N#Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834483839 AGSVFQYZAHPOAG-VXGBXAGGSA-N 240.266 0.400 30 20 BCED COc1cccc(C(=O)N[C@H]2CNC[C@H]2C#N)c1 834506190 QKBUHYHVFXHGHZ-PWSUYJOCSA-N 245.282 0.537 30 20 BCED C=C(CN(C)C)C(=O)N1CC[C@H](OC)[C@@H](C)C1 836837937 NOGUSITVITUWOA-JQWIXIFHSA-N 240.347 0.988 30 20 BCED C#Cc1cccc(CNC(=O)COC)c1 837104400 WSLCQEIQCGLXLB-UHFFFAOYSA-N 203.241 0.931 30 20 BCED CN(CC(=O)NC1CC1)C(=O)C#CC(C)(C)C 837320765 MMSVFXRPLXKXKC-UHFFFAOYSA-N 236.315 0.773 30 20 BCED C#CC[C@@H](NC(=O)C[C@@H](C)COC)C(=O)OC 837943880 BGSDSDVFKCNPBX-NXEZZACHSA-N 241.287 0.340 30 20 BCED C#C[C@H](C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C 839729598 UDTOCNSRAXVDGM-JGVFFNPUSA-N 225.292 0.207 30 20 BCED C=C(CN(C)C)C(=O)N[C@H]1CO[C@H](C)C1 844098427 BJRVPMYRUKBJNH-NXEZZACHSA-N 212.293 0.398 30 20 BCED COCC#CCOC(=O)C(C)(C)CNC(C)=O 845254910 LYIYZLOBEUYBCA-UHFFFAOYSA-N 241.287 0.342 30 20 BCED CC[C@@H](C#N)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 845491410 MJMVEVBKXYGJQC-CMPLNLGQSA-N 246.314 0.735 30 20 BCED C=C(C)CONC(=O)NC[C@@H](O)C1CC1 845594954 AXGGTBSHALBSPH-SECBINFHSA-N 214.265 0.564 30 20 BCED C=C(C)CONC(=O)N[C@@H](C)CN(C)C 845608297 HOKIJQDDCFKGHF-VIFPVBQESA-N 215.297 0.743 30 20 BCED CC[C@@H](C#N)C(=O)NOCCCC(=O)OC 846654199 VMCWBJRFSXXVEZ-QMMMGPOBSA-N 228.248 0.537 30 20 BCED CN(C)C(=NCCCn1cncn1)N(C)C 848984860 MHYOOGWJRZCVQI-UHFFFAOYSA-N 224.312 0.147 30 20 BCED C#CCOCCN1CCC[C@H](CC(N)=O)C1 851799162 QWKMCHRROAWKDR-LLVKDONJSA-N 224.304 0.224 30 20 BCED CC1(C)OC[C@H](CN2CCOC[C@H]2C#N)O1 851848210 JXURPGFGCKKZHF-ZJUUUORDSA-N 226.276 0.362 30 20 BCED C#CCOCCN1CCN([C@@H]2CCOC2)CC1 851867840 FELXNTWFOCGPTF-CYBMUJFWSA-N 238.331 0.043 30 20 BCED C=CCCNC(=O)NCCS(=O)(=O)CC 852068755 NTPTXRXNPQQJIH-UHFFFAOYSA-N 234.321 0.296 30 20 BCED CC1(C)OC[C@@H](CN2CC[C@@](O)(CC#N)C2)O1 852204641 FDZPGKAUHURIER-PWSUYJOCSA-N 240.303 0.488 30 20 BCED C[C@@H](C#N)N(CCN1CCOC1=O)C1CC1 852480128 NQJLIUIKBSOEHP-VIFPVBQESA-N 223.276 0.815 30 20 BCED CCN(Cn1nc(C)oc1=O)[C@@H](C)C#N 853581143 VMSLVEIYSWAUCZ-ZETCQYMHSA-N 210.237 0.336 30 20 BCED C#C[C@@H](CC)NC(=O)N1CCO[C@@H](C#N)C1 854071212 ZCINDUDWSDVAHQ-UWVGGRQHSA-N 221.260 0.332 30 20 BCED C#CC[C@H](CO)NC(=O)c1c(C2CC2)cnn1C 854550414 UEZQRBLLVHQYDO-SNVBAGLBSA-N 247.298 0.412 30 20 BCED N#CCCNC[C@H](O)COc1ccc(C#N)cc1 857303094 MAECOXQOTBPTHZ-LBPRGKRZSA-N 245.282 0.801 30 20 BCED C=CC(=O)N(C)CC(=O)N(C)[C@H](C)CC#N 859193942 HARGEZJJSFJMOY-SECBINFHSA-N 223.276 0.391 30 20 BCED CCCCCCCNC(=O)[C@@H](CO)NC(N)=O 862357978 OXIGMWMLIVIQPD-SECBINFHSA-N 245.323 0.102 30 20 BCED CCO[C@@H](CC)C(=O)n1ncc(C#N)c1N 869368694 MKMJALFVOKPTHT-QMMMGPOBSA-N 222.248 0.792 30 20 BCED C#CCCS(=O)(=O)NC(=O)C(C)(C)OCC 870332413 VQGIPNYXHUGPQY-UHFFFAOYSA-N 247.316 0.271 30 20 BCED C#CCN(C)C(=O)C(=O)Nc1cncc(OC)c1 873869589 OPAAPTZHOUKJFI-UHFFFAOYSA-N 247.254 0.120 30 20 BCED C#CC(C)(C)NC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 879072245 VXCBSJWIZHWLAV-UHFFFAOYSA-N 248.242 0.945 30 20 BCED COCC#CCN1C(=O)[C@H]2CC[C@H]2C1=O 883065871 YZLJQPPZIYXNDA-DTORHVGOSA-N 207.229 0.031 30 20 BCED CO[C@]1(C(=O)OCC#N)CCSC1 885741297 KJKHEJJUWKITFI-MRVPVSSYSA-N 201.247 0.575 30 20 BCED C#CCSCC(=O)O[C@H](C)C(=O)NCC=C 885889550 HFJPJCPUCKZFMD-SECBINFHSA-N 241.312 0.587 30 20 BCED C=CCNC(=O)CNC(=O)Nc1conc1C 888737103 CFCAVMJWUNOIHD-UHFFFAOYSA-N 238.247 0.407 30 20 BCED CN(C)CC#CCNc1cnc(F)cn1 894876279 LKPRDSWYFCFNSH-UHFFFAOYSA-N 208.240 0.593 30 20 BCED C#CCSCC(=O)NCC1(CO)CCC1 897376518 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30 20 BCED CN(C(=O)C#CC(C)(C)C)[C@@H]1COC[C@H]1O 923835860 BJWWCDSLAOZTJA-NXEZZACHSA-N 225.288 0.254 30 20 BCED CN(C)C(=O)[C@H]1CCN(C[C@@H](C#N)CCC#N)C1 930715543 JAGVCGDEZITYLJ-NEPJUHHUSA-N 248.330 0.840 30 20 BCED C#CC1(O)CN(Cc2cnc(C)s2)C1 934445071 NEVTXAVORVNRGE-UHFFFAOYSA-N 208.286 0.631 30 20 BCED C#CC1(O)CN([C@H](CC)C(=O)OCC)C1 934448434 VAICEUAXBBLTEF-SECBINFHSA-N 211.261 0.008 30 20 BCED C#CCOCCNC(=O)[C@H]1CCCN1C(C)C 935357725 QQBAXKXQCHIWGC-GFCCVEGCSA-N 238.331 0.625 30 20 BCED C#CCO[C@@H](C)C(=O)N(C)c1nccn1C 935667023 KQFZBVBPVNEFJJ-VIFPVBQESA-N 221.260 0.421 30 20 BCED C#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)C3CC3)[C@H]2C1 958491569 QBDONKRDYBMMMO-XEZLXBQYSA-N 232.327 0.712 30 20 BCED C=CCN(C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 971488522 CCOXMRAHNAAERU-JTQLQIEISA-N 249.318 0.147 30 20 BCED Cc1nc[nH]c1C(=O)N1CC[C@H](N(C)CC#N)C1 980557287 FOHXFGJXUULKGB-JTQLQIEISA-N 247.302 0.388 30 20 BCED CC(C)C(=O)N1CC[C@@H](NCC#N)[C@@H]1C 985992846 DEMUCCMNHHQLCC-VHSXEESVSA-N 209.293 0.745 30 20 BCED 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0.739 30 20 BCED CC(C)(CC#N)CS(=O)(=O)N1CC[C@H](O)C1 569867516 JEWGWWCQUSMHML-VIFPVBQESA-N 246.332 0.323 30 20 BCED C[C@H](C#N)CNC(=O)NC[C@@H]1CCCC[C@H]1O 571286588 RDNZVQMTSSFXHD-OUAUKWLOSA-N 239.319 0.996 30 20 BCED C=CCSCCNC[C@H](C)S(C)(=O)=O 573953528 BOKHZKHOOOKRJJ-VIFPVBQESA-N 237.390 0.928 30 20 BCED C=CCn1nnnc1SCCc1cnn[nH]1 574473058 MGAZRIDDWYKZLG-UHFFFAOYSA-N 237.292 0.312 30 20 BCED C[C@]1(NC(=O)NCC2(C#N)CC2)CCOC1 576059990 ARQWWZHYQWZFSF-JTQLQIEISA-N 223.276 0.768 30 20 BCED N#CC1(CNC(=O)CNC(=O)c2ccco2)CC1 576165915 ZFFMOLRQSNMUQH-UHFFFAOYSA-N 247.254 0.429 30 20 BCED N#Cc1cccc(NC(=O)N[C@@H]2CC[C@H]2O)n1 576634715 DIVGIYBPJLWIOO-RKDXNWHRSA-N 232.243 0.598 30 20 BCED C=CC[C@@H](C)NC(=O)[C@H]1CCc2nnnn2CC1 577285712 MICXHWISSFCEAF-ZJUUUORDSA-N 249.318 0.706 30 20 BCED Cc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cn1 580611277 SCIBVISDZWZYAQ-CYBMUJFWSA-N 246.314 0.964 30 20 BCED N#Cc1cncc(NC[C@H](O)[C@@H]2CCOC2)n1 580830589 IKGRMPPDOGOPQX-SCZZXKLOSA-N 234.259 0.158 30 20 BCED 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0.427 30 20 BCED CC#CC[C@H](CO)NCc1nc(C)c(C)[nH]1 641767864 RTAXZTGPDSVMSS-LLVKDONJSA-N 221.304 0.890 30 20 BCED CC#CC[C@@H](CO)NC(=O)CC(F)(F)F 649188438 KJQNGFSVISMNST-ZETCQYMHSA-N 223.194 0.829 30 20 BCED C=CCN(CCOC)C(=O)[C@@H](C)NC(=O)CC 682970401 JCPAYKCITRYUHZ-SNVBAGLBSA-N 242.319 0.562 30 20 BCED COC1(C(=O)NC[C@H](C)C#N)CCOCC1 692022948 YCUCKPKFIIRYCB-SECBINFHSA-N 226.276 0.458 30 20 BCED C#CC(=O)NCc1ccc(S(C)(=O)=O)cc1 692907684 RSWDKZUMPQICNN-UHFFFAOYSA-N 237.280 0.340 30 20 BCED C=CCOCCN1CCOC[C@H]1CCO 694877761 YGQYMDBCWLWVMW-LLVKDONJSA-N 215.293 0.272 30 20 BCED C#CCNCC(=O)NC1(CC(C)C)CC1 701500583 DSHYMEUDXWREBM-UHFFFAOYSA-N 208.305 0.904 30 20 BCED C#CCCS(=O)(=O)NCC(O)(CC)CC 710975647 HCLDVBMKDQBKQO-UHFFFAOYSA-N 233.333 0.480 30 20 BCED N#CC1(C(=O)NCC2(CO)COC2)CCCC1 717663712 CQYZQIXSEOKVGS-UHFFFAOYSA-N 238.287 0.195 30 20 BCED C#CC[C@@H](CO)Nc1cc(C(=O)OC)ncn1 717739196 HIVJCZDBEQEZBO-QMMMGPOBSA-N 235.243 0.059 30 20 BCED C=CCN(CC(=O)O)C(=O)c1nocc1C 720502247 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BCED CC(CO)(CO)C(=O)OCc1ccc(C#N)cc1 759840658 NIYBKEWVFUWQPL-UHFFFAOYSA-N 249.266 0.592 30 20 BCED CNC(=S)NN=Cc1ccc(C)cn1 761793933 QSDKJKBZGCKMFQ-UHFFFAOYSA-N 208.290 0.818 30 20 BCED COCC#CCOC(=O)c1ccc(=O)n(C)c1 762797754 RZLWVHYKVZOPKO-UHFFFAOYSA-N 235.239 0.192 30 20 BCED COCC#CCOC(=O)c1cc(C)[nH]n1 762803450 NGSBEMKGBZWCMS-UHFFFAOYSA-N 208.217 0.525 30 20 BCED C#CCCCN1CCN(Cc2cnn(C)c2)CC1 766900557 MROOAOGJFCJLMS-UHFFFAOYSA-N 246.358 0.951 30 20 BCED COC(OC)c1ccc(C(=O)NCC#N)o1 769693172 YHVWAQYWUAVNEW-UHFFFAOYSA-N 224.216 0.824 30 20 BCED C#CCNC(=O)N[C@@H](C#C)[C@H]1CCCO1 773119998 LIWGQKMOASOCJO-VHSXEESVSA-N 206.245 0.100 30 20 BCED C#C[C@H](C)NC(=O)N[C@@H](C)c1nncn1C 773594003 YMBORJZDHFOFKW-YUMQZZPRSA-N 221.264 0.197 30 20 BCED C#C[C@H](NC(=O)c1cnco1)[C@@H]1CCCO1 775346426 JJEJFOOFYFYBQK-IUCAKERBSA-N 220.228 0.585 30 20 BCED CNC(=O)c1ccc(C(=O)OC(C)(C)C#N)cn1 779226453 RCAPTHGLSNDSOL-UHFFFAOYSA-N 247.254 0.900 30 20 BCED C#CCCCNC(=O)CCCC(=O)NC 780815480 VMPSYLCGXPJRLM-UHFFFAOYSA-N 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247.364 0.547 30 20 BCED C[C@H](C#N)CNS(=O)(=O)c1ccccc1C#N 54157900 FULUSQPNGPLUHK-SECBINFHSA-N 249.295 0.996 30 20 BCED CON(C)CCCNC(=O)C(C)(C)C#N 824517123 SYUHVZXZHJLHLF-UHFFFAOYSA-N 213.281 0.536 30 20 BCED CCC[C@@H](O)CNS(=O)(=O)CCCCC#N 119269712 XXHAHZCOAKKFPP-SNVBAGLBSA-N 248.348 0.761 30 20 BCED C#CCNC(=O)CN1C[C@@H](C)OC(C)(C)C1 68477303 IQMKYHKZXLNHLL-SNVBAGLBSA-N 224.304 0.235 30 20 BCED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1 22481415 PBPNYILUMCHNKO-SECBINFHSA-N 247.250 0.687 30 20 BCED CC(C)CN(CC(N)=O)c1ccnc(C#N)n1 310420190 QKTULNCWAMELEN-UHFFFAOYSA-N 233.275 0.296 30 20 BCED C=CCCC(=O)N[C@H](C)CS(=O)(=O)CC 113132204 VAQPKBDEEKLLPS-SECBINFHSA-N 233.333 0.892 30 20 BCED C[C@H](CS(C)(=O)=O)Nc1cc(C#N)ncn1 309412805 JBUZUQSOFXONHL-SSDOTTSWSA-N 240.288 0.193 30 20 BCED C#CCNC(=O)C[C@@H](C)NC(=O)C1CCCC1 171354089 GNKFODDAZGHJOP-SNVBAGLBSA-N 236.315 0.821 30 20 BCED CN(CC(=O)NCC#N)CC1CCCC1 66497021 YXNSAGLZJRAWEG-UHFFFAOYSA-N 209.293 0.748 30 20 BCED CN([C@H]1CC[C@H](C#N)C1)[C@@H]1COC[C@H]1O 407997855 OPSPYUXHEXPDJA-UKKRHICBSA-N 210.277 0.370 30 20 BCED CC(C)OCCCN(C)CC(=O)NCC#N 354221769 KEBDUJJWJICRLK-UHFFFAOYSA-N 227.308 0.373 30 20 BCED C[C@H](C#N)S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 252707326 WVBJBRVZVVXRCH-UTLUCORTSA-N 228.317 0.960 30 20 BCED C=CCNC(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC 74166173 BYUYVPDQEYREFK-IUCAKERBSA-N 248.348 0.253 30 20 BCED C=C(C)CS(=O)(=O)NCC(=O)NCCC 188270811 QPWVBTZMDBYEEF-UHFFFAOYSA-N 234.321 0.008 30 20 BCED C=CCN(CC=C)C(=O)c1ccc(C(N)=O)cn1 120779134 MKMXEFFFWDWXJU-UHFFFAOYSA-N 245.282 0.995 30 20 BCED C#CCN(CC1CC1)C(=O)N[C@@H]1CCOC1 125265156 UUMSCBGZWSBBLF-LLVKDONJSA-N 222.288 0.830 30 20 BCED C#CCSCCNC(=O)N1CC[C@](C)(O)C1 185492716 KWNVDDOHCDLNGY-NSHDSACASA-N 242.344 0.519 30 20 BCED C#CCOCCC(=O)NCCOCC(F)F 188760556 NYQNDDUNOPNYCE-UHFFFAOYSA-N 235.230 0.424 30 20 BCED C#C[C@H](C)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 491734354 NUYQOYSOOTXDHO-QMMMGPOBSA-N 236.231 0.271 30 20 BCED C=CCNC(=O)CN1CCC[C@H](CO)[C@H]1C 412102058 ZDZRXEJMYQWKEC-GHMZBOCLSA-N 226.320 0.381 30 20 BCED N#Cc1ccc(N2CCOC[C@H]2CC(=O)O)nc1 128319523 ZTOKWXVBGCGRFW-SNVBAGLBSA-N 247.254 0.633 30 20 BCED C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)CN 419151070 LZBAJFSVFGNGQT-NXEZZACHSA-N 241.335 0.311 30 20 BCED CN(C/C(O)=N/CC1CC1)[C@@H]1COC[C@H]1O 329174574 LTCJVAYYBMZKOS-NXEZZACHSA-N 228.292 0.044 30 20 BCED C=CCS(=O)(=O)CCN[C@@H](C)COC 379587075 RXBBUPJVVXBIBF-VIFPVBQESA-N 221.322 0.212 30 20 BCED C[C@H](CC#N)Nc1ncc([N+](=O)[O-])c(N)n1 264332018 SYXLROSANKCIJH-RXMQYKEDSA-N 222.208 0.681 30 20 BCED C[C@@H](CCNC(=O)C1(C#N)CCC1)[S@@](C)=O 132918537 XMUQYYSERVPBPK-FVMDXXJSSA-N 242.344 0.954 30 20 BCED C#CCCCCC(=O)N(C)Cc1nnc[nH]1 222925612 RKAKLLBUNMFUGN-UHFFFAOYSA-N 220.276 0.957 30 20 BCED C[C@H](CC#N)N(C)C(=O)c1cnn(C)n1 379923446 SOJJOEFREXQDQY-SSDOTTSWSA-N 207.237 0.189 30 20 BCED COC(=O)CN(CC#N)CCOC(C)(C)C 80872709 JOLDMRQWRPJCHD-UHFFFAOYSA-N 228.292 0.800 30 20 BCED C=C(C)COCCNc1nccn(C)c1=O 131354977 FZNNMSVUSLHNIN-UHFFFAOYSA-N 223.276 0.785 30 20 BCED CCc1cc(C)[nH]c(=NCC#CCO)n1 380162243 BYUJOOGRCASZGT-UHFFFAOYSA-N 205.261 0.177 30 20 BCED CCc1noc(CN2CCN(CCC#N)CC2)n1 611175070 SFRBQJCKRQWWOG-UHFFFAOYSA-N 249.318 0.663 30 20 BCED C=CC1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 516086897 XDNJHAFDFWOXKF-QWRGUYRKSA-N 236.315 0.923 30 20 BCED C#C[C@H](NCCC(=O)N(C)C)[C@H]1CCCO1 381504635 JGGKJUWNADVLLU-WDEREUQCSA-N 224.304 0.235 30 20 BCED Cc1cc(C#N)ccc1CNC(CO)CO 229143149 RCZKMLLBGLTSND-UHFFFAOYSA-N 220.272 0.310 30 20 BCED CCN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 334804314 AJRLOGUZGZOPPR-SNVBAGLBSA-N 232.287 0.710 30 20 BCED CCC1(O)CN(C(=O)CC(C)(C)C#N)C1 334584641 GENXAXFFNIKJHM-UHFFFAOYSA-N 210.277 0.910 30 20 BCED C=CCN1CCC(NC(=O)[C@@H]2CCNC2)CC1 236659704 JONJOIWQQMXWLO-LLVKDONJSA-N 237.347 0.363 30 20 BCED C=CCCn1cc(C(=O)N[C@@H](C)[C@H](C)N)nn1 424179735 UBFCEIWRIVZVDS-IUCAKERBSA-N 237.307 0.320 30 20 BCED CCc1cc(NC(=O)[C@@H](N)CCCC#N)n(C)n1 424132718 WRVLENLNQIQFDT-JTQLQIEISA-N 249.318 0.942 30 20 BCED CN1CCC[C@@H](/N=C(/O)Cc2ccon2)C1=O 330171718 XNKVLVCEXVPEPF-SECBINFHSA-N 237.259 0.794 30 20 BCED C=C[C@@H](C)NC(=O)[C@@H]1CCCCC(=O)N1 334312065 LUIUQMMUTVXJHR-BDAKNGLRSA-N 210.277 0.736 30 20 BCED CCNC(=NCC(C)(C)C(N)=O)NCC 161517148 ZTDUACUWCBCNCN-UHFFFAOYSA-N 214.313 0.073 30 20 BCED C#C[C@](C)(CC)NC(=O)c1cncn1C 384139890 FOTXIFWELBZOTC-LLVKDONJSA-N 205.261 0.952 30 20 BCED CC[C@H](OC)C(=O)N1CCSC[C@H]1C#N 334307459 HSDCZYZCNPZHKQ-BDAKNGLRSA-N 228.317 0.879 30 20 BCED C=CC[C@H](C)NC(=O)C1(O)CCOCC1 331078175 WBDRCIVHFNPGLK-VIFPVBQESA-N 213.277 0.609 30 20 BCED C=CCCn1cc(C(=O)N2CC[C@@H](O)C2)nn1 424700935 FWJFLMMYFZFKET-SECBINFHSA-N 236.275 0.061 30 20 BCED C=C[C@](C)(O)CC(=O)NCC1([S@](C)=O)CC1 331757114 FBENRYNTAJONJF-QFYYESIMSA-N 245.344 0.341 30 20 BCED N#Cc1cccc(F)c1CC(=O)N[C@H]1C[C@@H](O)C1 334742085 OHSAELTYHMFCAI-AOOOYVTPSA-N 248.257 0.879 30 20 BCED C=CCCn1cc(C(=O)N[C@H](C)[C@H](C)N)nn1 424179734 UBFCEIWRIVZVDS-DTWKUNHWSA-N 237.307 0.320 30 20 BCED C=CCOCCCN1CC[C@@H](S(C)(=O)=O)C1 337463088 QSHDWGPTEYVRDE-LLVKDONJSA-N 247.360 0.698 30 20 BCED C#CCNC(=O)CN1CC[C@H](SC)C1 382994324 ZMQMXCWZPYUFJH-VIFPVBQESA-N 212.318 0.173 30 20 BCED CC[C@@H](C#N)NC(=O)C(=O)c1cnn(C)c1 330416798 DOUQGOZDYVTGRA-QMMMGPOBSA-N 220.232 0.021 30 20 BCED C#CCNCC(=O)N1CC[C@H](N2CCCCC2)C1 92493416 MRZPRTINZBSMSI-ZDUSSCGKSA-N 249.358 0.296 30 20 BCED Cc1nccc(CN/C(O)=N/CCC#N)n1 331136506 ISESUDGIYFZTIT-UHFFFAOYSA-N 219.248 0.702 30 20 BCED C=CCCOCCNC(=O)N(C)C[C@H](C)O 91237635 LLOCWEGVHIAZFX-JTQLQIEISA-N 230.308 0.601 30 20 BCED CCS(=O)(=O)CCNc1ccnc(C#N)c1 233851166 GJLFCHKQHWQPQW-UHFFFAOYSA-N 239.300 0.800 30 20 BCED C[C@@H](C#N)NC(=O)[C@H](C)OC[C@H]1CCCO1 432345114 GNIWGYUVTPBGFT-LPEHRKFASA-N 226.276 0.599 30 20 BCED C#CCN1C[C@H](C(=O)NCCOC)CC[C@H]1C 144309560 IDFGQAPZAZMZOQ-VXGBXAGGSA-N 238.331 0.483 30 20 BCED C[C@](O)(CC(=O)NCCCC#N)C1CC1 331764752 OJFVCFUBWTUDAF-NSHDSACASA-N 210.277 0.957 30 20 BCED N#Cc1cncnc1N1CCC[C@@H](C(N)=O)C1 383851257 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219.244 0.311 30 20 BCED C#C[C@H](CCC)NC[C@H](O)COCCOC 229979273 WYZPQPXNGWLAOB-NEPJUHHUSA-N 229.320 0.402 30 20 BCED COC(=O)C1(NC(=O)c2cc(C#N)oc2C)CC1 331458632 HVVJJUMUILFVKY-UHFFFAOYSA-N 248.238 0.895 30 20 BCED CCn1nncc1C(=O)NCC1(C#N)CC1 519011370 NVUMUYBXTLFZRB-UHFFFAOYSA-N 219.248 0.332 30 20 BCED Cc1cc(C[C@H](C)NC(=O)CC#N)n[nH]1 331066335 YISUJGAAPKRFMT-ZETCQYMHSA-N 206.249 0.679 30 20 BCED CC(=O)NCC/N=C(/O)c1cnnc(C)c1 330964446 ZQMMOBRWMSBEEE-UHFFFAOYSA-N 222.248 0.226 30 20 BCED C=CCN(CCOC)C(=O)[C@H](C)NC(C)=O 191963700 JLVWFECHMCQEFG-VIFPVBQESA-N 228.292 0.172 30 20 BCED N#CCCCNS(=O)(=O)CC[C@H]1CCOC1 338951859 UGSOPXMWKKCAEC-SNVBAGLBSA-N 246.332 0.636 30 20 BCED N#CC1(CNC(=O)N2CCC[C@@H](O)C2)CCC1 335597606 UWFQPCWFJQWDOG-SNVBAGLBSA-N 237.303 0.847 30 20 BCED C=C[C@@](C)(O)CC(=O)N1CCN(C)C[C@H]1C 335860804 DZEGXNXAODFRKV-ZYHUDNBSSA-N 226.320 0.476 30 20 BCED N#Cc1cccc(NC(=O)NC[C@@H](O)CO)c1 90281184 FKPJBWUOYKRFKQ-SNVBAGLBSA-N 235.243 0.033 30 20 BCED CC(C)CS(=O)(=O)CC(=O)N[C@H](C)C#N 332461160 IXSPGNQSVDOQET-MRVPVSSYSA-N 232.305 0.085 30 20 BCED CN1C(=O)CN(CC#N)[C@@H]1c1ccccc1 335875072 CXGLVIMYQSZRNO-GFCCVEGCSA-N 215.256 0.983 30 20 BCED CC[C@H](C)n1nc(N/C(O)=N/CCO)cc1C 330680757 FXHKBCYWRZVKIR-QMMMGPOBSA-N 240.307 1.481 30 20 BCED C=C[C@@H](C)NS(=O)(=O)Cc1cc(C)no1 330934069 GXZKIEXAURZAAX-SSDOTTSWSA-N 230.289 0.977 30 20 BCED CCc1nnc(N2CCO[C@H](C#N)C2)nc1CC 97836786 IXFPAIZJWJQYAE-SECBINFHSA-N 247.302 0.725 30 20 BCED CC(C)(C#N)C(=O)N[C@@H]1CCC(=O)NC1(C)C 335057253 GPUAAKQYBHFWJC-MRVPVSSYSA-N 237.303 0.710 30 20 BCED CSC[C@@H](C)NC(=O)Cn1cnc(C#N)n1 331129955 GGJVDAQPLSGGSM-SSDOTTSWSA-N 239.304 0.017 30 20 BCED C=C(C)CS(=O)(=O)N[C@@H](C)c1ncn(C)n1 435439028 SOXWUIHNJZDQIU-QMMMGPOBSA-N 244.320 0.372 30 20 BCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)O 438003193 VUEZQDPNXXHDNV-OUAUKWLOSA-N 242.319 0.648 30 20 BCED N#CCC1(O)CN(C[C@H]2CCSC2)C1 336105538 HWDKJQAOGDQQMS-SECBINFHSA-N 212.318 0.700 30 20 BCED 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C=CCCCNC(=O)NC[C@@H](O)[C@@H]1CCOC1 448030090 KBRAUNHEWHSMFC-GHMZBOCLSA-N 242.319 0.649 30 20 BCED N#Cc1ccc([C@@H](SCCO)C(N)=O)cc1 603309520 BZPOXMXFPAJVMZ-SNVBAGLBSA-N 236.296 0.810 30 20 BCED Cn1cccc1C(=O)Cn1cncc(C#N)c1=O 351769730 IXTAFZMCTPKUEF-UHFFFAOYSA-N 242.238 0.336 30 20 BCED COC[C@@H](C)N/C(N)=N/Cc1snnc1C 262697890 IUVMEZMCRILELD-ZCFIWIBFSA-N 243.336 0.286 30 20 BCED C=C[C@](C)(O)C(=O)NC[C@@H](CO)CC1CC1 619034069 CYQDXRCAOSGZOH-JQWIXIFHSA-N 227.304 0.448 30 20 BCED COC(=O)[C@H](NC(=O)[C@H](C)C#N)c1ccccn1 610429402 KVWHUBHFDUXXHU-PSASIEDQSA-N 247.254 0.572 30 20 BCED CC#CCCNC(=O)c1ccn2nnnc2c1 613319956 HTOORWMPQGNGHJ-UHFFFAOYSA-N 229.243 0.268 30 20 BCED COCC1(C(=O)Nc2n[nH]c(C)c2C#N)CC1 357226168 CZWMJEBCGNUYCT-UHFFFAOYSA-N 234.259 0.955 30 20 BCED N#Cc1nc(N(CCO)CCO)ccc1Cl 267209791 LNMOBUCOPNCMII-UHFFFAOYSA-N 241.678 0.398 30 20 BCED CSCCC(=O)N[C@]1(C#N)CCOC1 358448078 NUJZBIKGSOMVFI-VIFPVBQESA-N 214.290 0.538 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H]1CCCN(C(C)C)C1 613579833 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0.994 30 20 BCED C#CCOCCC(=O)O[C@@H]1CCCN(C)C1=O 778835876 KNMLCQXMKLMYIV-SNVBAGLBSA-N 239.271 0.190 30 20 BCED C#CCCCCC(=O)OCC(=O)N1CCC1 773634700 CQFDOCAGWMDYCF-UHFFFAOYSA-N 223.272 0.956 30 20 BCED COC[C@H](C)NN=C1C(=O)Nc2ccccc21 777903369 ZMVDVOZYEDRNFB-QMMMGPOBSA-N 233.271 0.967 30 20 BCED COCCOCC(C)=NN[C@@H](C)COC 777902582 KNQGGVXRRZXTKI-VIFPVBQESA-N 218.297 0.650 30 20 BCED C=C[C@H](C(=O)OC)n1cc([C@H](C)N)nn1 881320371 JDCLFZNQLNYKOL-POYBYMJQSA-N 210.237 0.198 30 20 BCED C[C@@H]1CC(=NN2C(=O)CNC2=O)CN1C1CC1 770619227 XWYZPXVYHOPZTF-SSDOTTSWSA-N 236.275 0.151 30 20 BCED C=CCNCCNC(=O)C1(C(F)F)CC1 1127217217 RHNHWGGXAVFXJP-UHFFFAOYSA-N 218.247 0.924 30 20 BCED C#C[C@H](NC(=O)[C@H]1CCCO1)[C@H]1CCCO1 772879185 FLHDBSYOMQFCMG-HBNTYKKESA-N 223.272 0.462 30 20 BCED C=C(C)CN1CCN(C(=O)Cc2nc[nH]n2)CC1 957131434 BUPWQWFWXRCFCC-UHFFFAOYSA-N 249.318 0.068 30 20 BCED Cn1cc(CC(=O)[C@H](C#N)c2nccn2C)cn1 1122609098 HFWQOGGSGGHNEJ-JTQLQIEISA-N 243.270 0.573 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)C1(OC)CCC1 781730832 BUEKPOYKSKFNST-VIFPVBQESA-N 239.271 0.237 30 20 BCED C#CCO[C@@H](C)C(=O)[C@@H](C#N)c1nccn1C 1122609201 IIIDDYMMJDMCOI-VHSXEESVSA-N 231.255 0.635 30 20 BCED N#Cc1cc(N2CCc3ncncc3C2)ncn1 883017554 QLSTXQDYJOENAF-UHFFFAOYSA-N 238.254 0.701 30 20 BCED CN(CCC#N)C[C@@H](O)CNCCCF 1120495036 FXLVULLTVQYKPS-JTQLQIEISA-N 217.288 0.142 30 20 BCED N#Cc1ccc(C(=O)NOCCO)s1 787293947 ROKCQTFUUKFLNT-UHFFFAOYSA-N 212.230 0.273 30 20 BCED C=C(C)COC(=O)CN1CCCCS1(=O)=O 884688042 QVNIXNYYLHHRBI-UHFFFAOYSA-N 247.316 0.531 30 20 BCED C#CCNC(=S)N1CCC[C@@H](OC)CC1 782884307 BBFGPNJAXPQDRQ-SNVBAGLBSA-N 226.345 0.995 30 20 BCED CC#CC[C@@H](CO)Nc1ccnc(COC)n1 894365332 AVKKWNPEEKFAES-JTQLQIEISA-N 235.287 0.809 30 20 BCED C=CCCNCCNC(=O)CCCN(C)C 1133051901 UKXORIMSQGXNGW-UHFFFAOYSA-N 227.352 0.610 30 20 BCED C#CCNCCNC(=O)c1cnc2cc[nH]c2c1 1130083179 GSVIQRVRSNKTBY-UHFFFAOYSA-N 242.282 0.516 30 20 BCED C#CCSCC(=O)N1CCNC(=O)C1(C)C 893049977 FZHGTCFRAMJRPO-UHFFFAOYSA-N 240.328 0.090 30 20 BCED O=C1[C@@H](NCc2csnn2)CCCN1O 895162306 JXQLDUHXEFOMSM-ZETCQYMHSA-N 228.277 0.008 30 20 BCED C#Cc1cccc(N(C)C(=O)[C@@H]2CCC(=O)N2)c1 103102867 VXWPJVLLHYWDJE-LBPRGKRZSA-N 242.278 0.909 30 20 BCED C#C[C@@H](NC(=O)NOCC(F)F)[C@@H]1CCCO1 793063340 ZESILHDGPNYLOV-SFYZADRCSA-N 248.229 0.663 30 20 BCED C=C(C)CONC(=O)N1CCOCCN1 895576423 WVNVOEOHBHGJCY-UHFFFAOYSA-N 215.253 0.041 30 20 BCED COCCOCC(C)=NNCC(C)(C)CO 799114973 PHYVMESNCAFKMX-UHFFFAOYSA-N 232.324 0.633 30 20 BCED C#CC1(O)CN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)C1 895442767 QHAJAGHXMOTSCD-RYUDHWBXSA-N 248.326 0.812 30 20 BCED Cc1ncoc1CN[C@H]1CCCN(O)C1=O 895157524 RDWPEOFLTMEGKS-QMMMGPOBSA-N 225.248 0.453 30 20 BCED C=CCN(C)C(=O)NCCSCC(=O)O 389466661 JTXFVRHSSKZWNV-UHFFFAOYSA-N 232.305 0.632 30 20 BCED Cc1noc(CCC(=O)N(C)CC#N)n1 701243400 LEWQAYNINWUGMP-UHFFFAOYSA-N 208.221 0.293 30 20 BCED N#C[C@@H]1CCC[C@H](N[C@H]2COC[C@H]2O)C1 393619398 ACIZOTDJYYXDIK-VPOLOUISSA-N 210.277 0.418 30 20 BCED C#C[C@H](NCc1ccon1)[C@H]1CCCO1 393755955 GWUPOFSKOJQLDQ-WDEREUQCSA-N 206.245 0.945 30 20 BCED C=CCN=c1[nH]c(C(=O)OC[C@H](C)O)cs1 393817961 ZSASDTFLVMQDNI-ZETCQYMHSA-N 242.300 0.701 30 20 BCED COc1nccc(B2OC(C)(C)C(C)(C)O2)n1 169968750 YZKHERUJQVUHGM-UHFFFAOYSA-N 236.080 0.784 30 20 BCED C[C@H](N)[C@H](C)C(=O)N1CCC[C@H](C#N)C1 703212230 DBWAVJQEFAFABX-LPEHRKFASA-N 209.293 0.732 30 20 BCED N#Cc1cccc(NC(=O)C[C@H](O)CN)c1 703363026 OMYGXJLZIJRZFY-JTQLQIEISA-N 219.244 0.206 30 20 BCED C[C@@H]1CO[C@H](CO)CN1Cc1ccc(C#N)cn1 576356528 FYLANBONSGBYBS-MFKMUULPSA-N 247.298 0.535 30 20 BCED CC#CC[C@@H](CO)NS(=O)(=O)CC(C)(C)C 645884035 RTIYIGGYEOCBDK-JTQLQIEISA-N 247.360 0.726 30 20 BCED CC(=O)N1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](C)C1 1073949562 RXDVTVKNLFJDEF-GXFFZTMASA-N 248.326 0.773 30 20 BCED C=CCN(CC(=O)O)S(=O)(=O)C1(C)CC1 584589134 ZWCWVUQBFPQUSM-UHFFFAOYSA-N 233.289 0.441 30 20 BCED CC#CC[C@H](CO)NC(=O)[C@H](C)C1CC1 649185450 FCWJZVDIAUZNOM-MWLCHTKSSA-N 209.289 0.923 30 20 BCED C#CCCCS(=O)(=O)NCC(=O)OC(C)C 710917336 NLZSTIYRSLKLED-UHFFFAOYSA-N 247.316 0.271 30 20 BCED C=CCCOCCNC(=O)[C@@H]1C[C@@H]1C(=O)O 194156109 QGJPTROUQKPRDZ-BDAKNGLRSA-N 227.260 0.416 30 20 BCED C#C[C@H](OC(=O)CCNC(=O)NC)C1CC1 796997251 RINYDWPCYULXMU-VIFPVBQESA-N 224.260 0.261 30 20 BCED C#CCC[C@H](O)CNC(=O)NCC1(C)CC1 798431601 SAWUEIHGCMGQCX-JTQLQIEISA-N 224.304 0.860 30 20 BCED C=CCN1CCCO[C@@H](CNC(=O)CC)C1 1148950905 MTIRGZJBEGNFPV-NSHDSACASA-N 226.320 0.790 30 20 BCED C#Cc1ccc(C(=O)NCCNCCF)nc1 1148369940 AQFGPUMMIZJGIA-UHFFFAOYSA-N 235.262 0.352 30 20 BCED Cc1nc(C#N)cc(N2CCC(=O)N(C)CC2)n1 688922688 UKYBSFHUJOHAPY-UHFFFAOYSA-N 245.286 0.325 30 20 BCED C#CCC[C@@H](O)CN/C(=N/CC)NCC 717959156 VYAQJZHQIQCAFZ-SNVBAGLBSA-N 211.309 0.336 30 20 BCED C=CCCCN(C)[C@H]1CCN(CC(=O)O)C1=O 662202816 BWEMKOVKZIKODC-JTQLQIEISA-N 240.303 0.570 30 20 BCED C#CCN(CC(=O)O)CC1(Br)CC1 1602695856 VZGKXJOUIVQIRR-UHFFFAOYSA-N 246.104 0.934 30 20 BCED Cc1cnc(CNc2nccnc2C#N)[nH]1 693460053 ABDARVUONKAWBA-UHFFFAOYSA-N 214.232 0.992 30 20 BCED N#CCNC1CCN(C(=O)c2ccncc2)CC1 989861610 DYQQRTVEFIXLOJ-UHFFFAOYSA-N 244.298 0.799 30 20 BCED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C(C)C 1083004073 IYKFLCHAMZXTEG-NWDGAFQWSA-N 238.331 0.740 30 20 BCED C[C@H](C#N)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084235993 WDAZJIWYNBZKTO-GMTAPVOTSA-N 232.287 0.202 30 20 BCED C#CCOCCNc1ccnc(C(=O)N(C)C)c1 784236080 RRPOVYCAGGPVKG-UHFFFAOYSA-N 247.298 0.845 30 20 BCED C#CCOCCNC(=O)c1cnc(C)cn1 784590990 IFKWPUDTSKMHFV-UHFFFAOYSA-N 219.244 0.165 30 20 BCED C#CCNC1CCN(C(=O)Cc2cnoc2)CC1 996905911 VABKBLOXVHMBNV-UHFFFAOYSA-N 247.298 0.431 30 20 BCED C#CCCN(CC)[C@H](C)CNC(=O)c1ncc[nH]1 1153202629 OELADSRBLFOOER-LLVKDONJSA-N 248.330 0.873 30 20 BCED C=CCCC(=O)N[C@H]1CCN(CCC)C[C@@H]1O 1099726266 FVOMJOCSJKMMNZ-RYUDHWBXSA-N 240.347 0.914 30 20 BCED C=CCN1CC[C@H]1CN(C)C(=O)Cc1ccon1 1231389826 YPJVOFFFKMDPFD-LBPRGKRZSA-N 249.314 0.936 30 20 BCED CSCCC(=O)N(C)C[C@@H]1CCN1CC#N 1230705883 PSCJRZVRIRYBKR-JTQLQIEISA-N 241.360 0.796 30 20 BCED COC1(CNC(=O)[C@H](C)C#N)CCOCC1 1319582660 VLZZSSLRFSGJBA-SECBINFHSA-N 226.276 0.458 30 20 BCED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCCC2)C1 1327120011 SSALFXRDLDAKFG-LLVKDONJSA-N 239.250 0.073 30 20 BCED COCC#CCN[C@H]1CCN(C(C)=O)[C@H]1C 1178012524 UPAQZFYQLDOZKT-JQWIXIFHSA-N 224.304 0.235 30 20 BCED C#CCN(CC1CC1)C(=O)c1ccc(C(N)=O)[nH]1 1328635539 AFFXWQGRULPMTJ-UHFFFAOYSA-N 245.282 0.599 30 20 BCED CC(C)[C@@H](C#N)NC(=O)c1cccc[n+]1[O-] 1324037182 HFOZPBDMCWBRBS-SECBINFHSA-N 219.244 0.598 30 20 BCED C=C[C@H](COC)NC(=O)NC[C@](C)(O)C(C)C 1320604503 JRFCPUWBLCEEID-PWSUYJOCSA-N 244.335 0.894 30 20 BCED COC(=O)NCC(=O)N[C@H](C#N)C1CCCC1 1332297060 MWRGOFVVRRNDPU-SECBINFHSA-N 239.275 0.541 30 20 BCED COCC#CC(=O)N1CCCc2ccnc(O)c21 1332212935 NYANLGUKQBMJOS-UHFFFAOYSA-N 246.266 0.716 30 20 BCED CC#CC[C@@H](CO)NC[C@H](O)c1ccccn1 1335460247 LWVZLNNOURWDCR-AAEUAGOBSA-N 234.299 0.479 30 20 BCED C#Cc1ccc(NCC2(CO)COC2)nc1 1336561226 ZWWHSBSLTZHMNN-UHFFFAOYSA-N 218.256 0.484 30 20 BCED C#CCCN(C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 1188958759 KDLDGLHGTZRZMR-LLVKDONJSA-N 246.314 0.579 30 20 BCED N#CCC(=O)N1C[C@@H](N)[C@H](C(F)(F)F)C1 1580045677 WLCXGSBVABAMFP-PHDIDXHHSA-N 221.182 0.248 30 20 BCED C=C(CC)CNC(=O)C(=O)N1CCC(F)(F)C1 1331740890 JDVNHYFUDRWGGI-UHFFFAOYSA-N 246.257 0.936 30 20 BCED C#CCO[C@@H](C)C(=O)NCc1nc(C)cc(O)n1 1333314565 AIOZIMPUHXIXHQ-VIFPVBQESA-N 249.270 0.145 30 20 BCED C=CC[C@H]1NC(=O)N(Cc2conc2C)C1=O 1332422862 ZJVQMOYEIARUKB-SECBINFHSA-N 235.243 0.980 30 20 BCED C#CCN(CC#N)C[C@H](OC)C1CCOCC1 1336856802 CAEWRRCWBJKPSY-ZDUSSCGKSA-N 236.315 0.887 30 20 BCED N#CC[C@]1(O)CCN(C(=O)c2ccncc2)C1 1261499801 VMPWUIJPKQRACV-LBPRGKRZSA-N 231.255 0.572 30 20 BCED C=C(Cl)Cn1cnc(C(=O)OC)n1 102817193 CIBLTKRDSAUENJ-UHFFFAOYSA-N 201.613 0.817 30 20 BCED N#CCCCC(=O)O[C@@H]1CCN(C2CC2)C1=O 1347435601 VJUIWGPIRGFTLA-SNVBAGLBSA-N 236.271 0.987 30 20 BCED C=CCn1nnnc1N1C[C@H]2CC[C@@H](O)[C@H]2C1 1340208071 GYZIMZUXNGEGFJ-KXUCPTDWSA-N 235.291 0.066 30 20 BCED C=C(C)Cn1c(CO)nnc1N(C)OC 1341960715 FRMPOYMOJLLQGD-UHFFFAOYSA-N 212.253 0.344 30 20 BCED C#C[C@H](C)N(C)C(=O)C[C@@H]1COC(=O)C1 1343811063 CQYOWIFJLULZAG-IUCAKERBSA-N 209.245 0.420 30 20 BCED Cn1cc(C#N)c(NC(=O)[C@]2(F)CCOC2)n1 1346910317 CXAMRXMXGGTQTH-JTQLQIEISA-N 238.222 0.359 30 20 BCED Cn1ncc(C(=O)N2CCC[C@@](C)(C#N)C2)n1 803100766 OQKMMLRHRVHRQQ-NSHDSACASA-N 233.275 0.581 30 20 BCED C=CCN1CC(NC(=O)c2cncc(F)c2)C1 1030204103 ORGVDBAYQQNHRX-UHFFFAOYSA-N 235.262 0.821 30 20 BCED C#CCN1CCO[C@H](CNC(=O)C2CCC2)C1 1035266068 MHJSLURYILOBPF-GFCCVEGCSA-N 236.315 0.237 30 20 BCED Cn1cnc(NC(=O)c2ccc(C#N)n2C)n1 1523907438 NAFFRRPFRPADCR-UHFFFAOYSA-N 230.231 0.278 30 20 BCED C=CCCC[C@H](N)C(=O)NCC1(N)CCC1 1521513108 QKXGMYDXDZINFV-JTQLQIEISA-N 225.336 0.668 30 20 BCED C[C@H](C#N)C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1452860595 JPMMTDBQNBWRML-HRDYMLBCSA-N 237.259 0.103 30 20 BCED N#CC1(NC(=O)c2ccc(C(=O)O)cn2)CCC1 1601058020 GWUDOBHYONKEPG-UHFFFAOYSA-N 245.238 0.956 30 20 BCED CS(=O)(=O)O[C@@H]1Cc2ccc(N)cc2C1 306920114 LODRPFNREHPJHT-SNVBAGLBSA-N 227.285 0.712 30 20 BCED C#C[C@H](CO)NC(=O)c1ccc(/C=C/C(=O)O)o1 1602671618 WTYIGGARTBKRPD-YZCDNWJKSA-N 249.222 0.101 30 20 BCED C=C(C)C[C@@H](C)C(=O)N[C@H]1CCO[C@H]1C(=O)O 1602746721 GUTARXYIJPGNTI-KXUCPTDWSA-N 241.287 0.947 30 20 BCED C=CC[C@H](OC(=O)[C@H]1CCOC1)C(=O)O 1602844898 HJFXAWSPFDWLQX-YUMQZZPRSA-N 214.217 0.595 30 20 BCED C=CC(C)(C)C(=O)O[C@H](CC(=O)O)C(=O)OC 1602805732 IFCMSRPPRPIOHE-SSDOTTSWSA-N 244.243 0.758 30 20 BCED C=C(C)C[C@@H](NC(=O)[C@@H](C)NCCC)C(=O)O 1602749810 JBCPKQYIFMIQGA-NXEZZACHSA-N 242.319 0.910 30 20 BCED Cc1cc(NC(=O)c2ncn(C)n2)ncc1C#N 1537727659 ZRKLQIGMMYXDBB-UHFFFAOYSA-N 242.242 0.643 30 20 BCED C#CCN1CCC(NC(=O)COCC)CC1 928660867 JFLBTPPFWROUDA-UHFFFAOYSA-N 224.304 0.237 30 20 BCED Cc1[nH]c(C#N)cc1C(=O)NCc1cnc[nH]1 1628408100 OCUNJUNTJAIMKY-UHFFFAOYSA-N 229.243 0.848 30 20 BCED COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)CC#N 285227931 QIVOHCMIKXQIDK-HRDYMLBCSA-N 224.260 0.604 30 20 BCED C[C@@H](N)C(=O)NCc1ccc(C#N)s1 1576086735 ZQDSDSUQRPLJJT-ZCFIWIBFSA-N 209.274 0.583 30 20 BCED C#CCNC(=O)CS[C@@H]1CCO[C@@H]1C 229617775 GMZOVEMHUAWQKH-RKDXNWHRSA-N 213.302 0.646 30 20 BCED CCC[C@H](NC)C(=O)N(CC#N)CCOC 1574076374 IBLTUXBOHSZTKX-JTQLQIEISA-N 227.308 0.373 30 20 BCED C#CCN(CC(=O)O)C[C@H](OC)C1CCC1 1588423806 FZKGBBARLQKZDA-NSHDSACASA-N 225.288 0.821 30 20 BCED C=CCCS(=O)(=O)N[C@H](C)/C=C/C(=O)O 1588813627 XLKQCMBIKAUOIR-HQZHTGGTSA-N 233.289 0.511 30 20 BCED N#Cc1cc(NC(=O)N[C@H]2C[C@H](N)C2)ccn1 1580062794 PXTUHMVMMYTCST-XWEPSHTISA-N 231.259 0.564 30 20 BCED C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C(=O)O 1588407518 JIHPCAXGFVUGHY-OPRDCNLKSA-N 247.250 0.976 30 20 BCED N#Cc1nn(C[C@H]2CCNC2)cc1[N+](=O)[O-] 1580084431 LAHJEJOGQMJORP-ZETCQYMHSA-N 221.220 0.272 30 20 BCED C#CCN(CC(=O)O)C(=O)C(C#N)(CC)CC 1588397579 MJYYWEUOHOWXBV-UHFFFAOYSA-N 236.271 0.863 30 20 BCED C=C(C)C[C@@H](NC(=O)C1(CC)COC1)C(=O)O 1588537564 SCIRBXGIJOGKDP-SECBINFHSA-N 241.287 0.949 30 20 BCED C#CCN(C)C(=O)Nc1nn(C)cc1C(=O)O 1588461416 OJCMNISCHBZCJG-UHFFFAOYSA-N 236.231 0.215 30 20 BCED C#CCNC/C=C/CNC(=O)[C@@H](C)n1cccn1 1754097223 OLWVBTLOZJIRDM-ZYOFXKKJSA-N 246.314 0.339 30 20 BCED C=CCCNC[C@@H](O)CNC(=O)c1ccccn1 1753903149 PQOPXXXRNQXERL-LLVKDONJSA-N 249.314 0.338 30 20 BCED COC(=O)/C=C(/C)CN(CC#N)CCC(=O)O 1598831875 YESFZCLMLUZVIH-CLFYSBASSA-N 240.259 0.406 30 20 BCED C=C(C)CCNC[C@@H](O)CNC(=O)CCC 1753903905 XLZKQZSQWZPAOD-LLVKDONJSA-N 228.336 0.819 30 20 BCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCOC1 1663843210 QHPWXGJBFADPCF-SECBINFHSA-N 247.320 0.002 30 20 BCED C=CCN[C@@H](C)[C@@H](C)NC(=O)c1ccon1 1755228225 MEKHPBGKDYVDDW-DTWKUNHWSA-N 223.276 0.957 30 20 BCED C=CCN[C@@H](C)CNC(=O)[C@@H]1CCCOC1 1752864342 PIGBGLKSFWPOAP-WDEREUQCSA-N 226.320 0.693 30 20 BCED C=C(C)C[C@@H](NCc1cc[nH]n1)C(=O)O 1776137726 XPSRHKQRHNXCII-SECBINFHSA-N 209.249 0.919 30 20 BCED C=C(CO)CN1CC[C@@H](C)C[C@H]1C(=O)O 1776142192 QQWHAJVOHVZLCP-SCZZXKLOSA-N 213.277 0.720 30 20 BCED COCC[C@H](NCc1cccc(C#N)n1)C(=O)O 1777197219 BGBZSHSYHBXOCV-NSHDSACASA-N 249.270 0.533 30 20 BCED CC(C)(C#N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 168523699 MZXIFOIRUDZUPJ-SECBINFHSA-N 235.287 0.369 30 20 BCED COC[C@H](NS(=O)(=O)CCCC#N)C1CC1 152382094 DFILKXVCCNDANQ-JTQLQIEISA-N 246.332 0.635 30 20 BCED C#C[C@@H](CCC)NC(=O)c1ccn(C)n1 233292890 DJKRSQMWJGTIHY-VIFPVBQESA-N 205.261 0.952 30 20 BCED C=CCCN1CC(NC(=O)c2nccnc2N)C1 1030169275 LPJPDKJSTHUZJZ-UHFFFAOYSA-N 247.302 0.049 30 20 BCED C#CCN1CC(NC(=O)Cc2cccnc2C)C1 1030950599 CAWLRZKUDKAMGA-UHFFFAOYSA-N 243.310 0.366 30 20 BCED C#CCN1CC(NC(=O)c2ccnc(C)c2)C1 1031124091 XIMQABPCAKLKRM-UHFFFAOYSA-N 229.283 0.437 30 20 BCED C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCO 1032563202 RCBXZGNAIBYNKD-QWRGUYRKSA-N 238.331 0.476 30 20 BCED C#CCN1CC[C@H]1CNC(=O)c1cncnc1C 1038086730 SAEBMIDSCFKSJS-NSHDSACASA-N 244.298 0.222 30 20 BCED C#CCCN1CC[C@@H]1CNC(=O)c1ncc[nH]1 1038228017 MZHQPHXWDKLUPT-SNVBAGLBSA-N 232.287 0.237 30 20 BCED C#CCCN1CC[C@H]1CNC(=O)c1cnco1 1038572896 WRGHKVVRITUORE-JTQLQIEISA-N 233.271 0.502 30 20 BCED C#CCCN1CC(N(C)C(=O)[C@H]2CCCO2)C1 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C=C(C)CCC(=O)N(CCOC)CC(=O)O 1347474651 OTWBEEVGZYGSFA-UHFFFAOYSA-N 229.276 0.902 30 20 BCED CC(=NN(C)[C@@H](C)CO)c1ccnc(O)c1 1349297145 ROLTUUVHEMRURO-QMMMGPOBSA-N 223.276 0.824 30 20 BCED CCOC(=O)C[C@H](O)CN(C)CCC#N 135016681 SXNZKHNZDSAYMU-VIFPVBQESA-N 214.265 0.146 30 20 BCED CNC(=O)c1cccc(CC/N=C(\N)N(C)C)c1 178581409 PEOFDBHLQZLKCY-UHFFFAOYSA-N 248.330 0.465 30 20 BCED CCN(CCO)C(=O)Cc1ccc(C#N)cc1 110615980 XIUJZDGSPUXDTG-UHFFFAOYSA-N 232.283 0.942 30 20 BCED C[C@@H](CC[S@@](C)=O)NC(=O)C(C)(C)C#N 135455852 JLRNXRPDEVMNEH-AYVTZFPOSA-N 230.333 0.809 30 20 BCED CN(C)C(=O)CCC/N=C(\N)NCC1CCC1 170910256 NVIOPIDIDPTKJD-UHFFFAOYSA-N 240.351 0.559 30 20 BCED N#CCNC(=O)c1n[nH]c2ccccc2c1=O 118324934 JAAKIXYBWHKORW-UHFFFAOYSA-N 228.211 0.176 30 20 BCED C#CCNC(=O)c1c(C)nn(C)c1OC 112269288 JMEPIYXFIZVQDP-UHFFFAOYSA-N 207.233 0.100 30 20 BCED CN(C)C(=O)CC/N=C(/N)NCC1CCC1 303869222 DSQMDPAJTXDTLX-UHFFFAOYSA-N 226.324 0.169 30 20 BCED CC[C@@H]1CN(CC#N)C[C@@H](C)[S@]1=O 306445960 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C[C@@H]1COC[C@@H]1NC(=O)c1ccc(C#N)n1C 928920200 RCWRRLKIDOJALS-SCZZXKLOSA-N 233.271 0.661 30 20 BCED Cn1nccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 753930633 VXNCSQLNVRJKKY-QWRGUYRKSA-N 246.318 0.614 30 20 BCED O=C(C#CC1CC1)N1CC[C@@H](N2CCOC2=O)C1 855498332 HBEIQWXKNKACDJ-LLVKDONJSA-N 248.282 0.453 30 20 BCED C=CCSCCNC(=O)C(OC)OC 692544109 RUXBLVYCIKJABL-UHFFFAOYSA-N 219.306 0.641 30 20 BCED C=CCN(C(=O)[C@]1(F)CCNC1)[C@@H](C)COC 852901883 UNIHJGYWIWNMKY-JQWIXIFHSA-N 244.310 0.738 30 20 BCED CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 939004124 OMKQCESNZIMWFJ-SNVBAGLBSA-N 246.270 0.237 30 20 BCED CCN(C(=O)C#CC(C)C)[C@@H]1CCNC1=O 854337741 FZPUVORAPUWAMO-SNVBAGLBSA-N 222.288 0.383 30 20 BCED C#C[C@H](CC)NC(=O)N1C[C@@H](CO)O[C@H](C)C1 854076485 UEFYOUMYPQNJRM-MXWKQRLJSA-N 240.303 0.189 30 20 BCED C[C@H]1CC(=NC(=O)c2cc(=O)cc[nH]2)NO1 935136341 BTZSONUOJBREPS-LURJTMIESA-N 221.216 0.227 30 20 BCED C#CC[C@H](CO)NC(=O)[C@H](C)c1cccc(O)c1 936060261 HCPQTGQCDDIXRL-ZYHUDNBSSA-N 247.294 0.996 30 20 BCED C#CC[C@H](CCOC)NC(=O)C1CC(OC)C1 863776865 GOVWBKILDDHFHM-MOENNCHZSA-N 239.315 0.956 30 20 BCED C#CCOc1ccc(CN[C@H]2COC[C@H]2O)cc1 865666190 BOULRLLAOCWEAP-UONOGXRCSA-N 247.294 0.548 30 20 BCED CC#CCNC(=O)NCc1nc(C2CC2)no1 762562400 KEYJWYNUULBKOQ-UHFFFAOYSA-N 234.259 0.770 30 20 BCED C[C@H](C=NN1C(=O)CNC1=O)CCC#N 766030843 YXCKZUWARRBUID-ZETCQYMHSA-N 208.221 0.464 30 20 BCED N#CC1(NC(=O)/C=C\CN2CCOCC2)CC1 865892165 SFNGSOUHNZYJHP-UPHRSURJSA-N 235.287 0.047 30 20 BCED Cc1n[nH]cc1C(=O)N(C)[C@@H]1CCN(CC#N)C1 1033308381 JZUSUVSHWLFFGK-SNVBAGLBSA-N 247.302 0.388 30 20 BCED Cc1ccc(N(C)CCNC(=O)[C@H](C)C#N)nn1 1100004985 MKDIUHZCXPSZTN-SECBINFHSA-N 247.302 0.497 30 20 BCED CC[C@H](NC(C)=O)C(=O)O[C@@H](C#N)CC 869677785 VOBITJIOWCSEBF-BDAKNGLRSA-N 212.249 0.746 30 20 BCED CN1CCC(=NNC2=N[C@H]3CCCC[C@@H]3N2)C1=O 761828134 LYPQPWRQCMRVMK-IUCAKERBSA-N 249.318 0.065 30 20 BCED Cn1cnnc1[C@@H]1CCCN1C(=O)NCCC#N 1116830634 XTPONOFDBYYPRF-VIFPVBQESA-N 248.290 0.575 30 20 BCED Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN1CC#N 1038815604 QFXNWBZPMLRAHR-SNVBAGLBSA-N 247.302 0.354 30 20 BCED CC1=NO[C@@H](CNC(=O)N(C)C[C@H](C)C#N)C1 875978423 MHIMUFIYNYGCIE-PSASIEDQSA-N 238.291 0.952 30 20 BCED COC[C@H](C)NN=Cc1c(N)ncnc1OC 777902750 TXDINURXIRVYCR-ZETCQYMHSA-N 239.279 0.026 30 20 BCED C=CCN1CC[C@H](N[C@H](C)c2ccnn2C)C1=O 871925498 CDAITTANKLRCPY-MNOVXSKESA-N 248.330 0.858 30 20 BCED C#C[C@@H](NCC(=O)Nc1ccon1)[C@H]1CCCO1 775792774 IOJWSKPUMKSFTA-NXEZZACHSA-N 249.270 0.384 30 20 BCED C=C[C@@H](COC)NC(=O)Nc1ccnn1C 1116652563 XDFBPGMIVIPOEP-QMMMGPOBSA-N 224.264 0.743 30 20 BCED CCc1nc(C(=O)NCC#CCN(C)C)co1 1119662536 GTBLSAXNPQJXPX-UHFFFAOYSA-N 235.287 0.532 30 20 BCED C#CC[C@@H]1NC(=O)N([C@@H]2CC[C@H](OC)C2)C1=O 1119710450 ZHEOICGQIHNDKW-UTLUCORTSA-N 236.271 0.498 30 20 BCED COCCN(C)C(=N)NCC1(C#N)CCC1 871610328 YJYPRVIIYJWZAV-UHFFFAOYSA-N 224.308 0.783 30 20 BCED C#C[C@@H](C)NC(=O)NCc1conc1C 875719667 KNIZYMFITKUGTL-SSDOTTSWSA-N 207.233 0.804 30 20 BCED CC(C)(C=NOC[C@@H]1CCOC1)S(C)(=O)=O 1116748676 PDTOMFUUUXOEAH-SECBINFHSA-N 249.332 0.849 30 20 BCED C=CC(C)(C)CC(=O)N[C@@H]1CC(=O)N(C)C1 878597764 WPQDRJGTRKHFPH-SECBINFHSA-N 224.304 0.936 30 20 BCED Cc1nnc(C(=O)N2CCO[C@H](C#N)C2)s1 1116574020 RWADBQJLEHQLHT-SSDOTTSWSA-N 238.272 0.211 30 20 BCED C=CCCNCCNC(=O)COCC1CC1 1124026760 ZQEWAPCCVBILCA-UHFFFAOYSA-N 226.320 0.695 30 20 BCED C=C[C@@](C)(CCOC)C(=O)Nc1nnn(C)n1 889628962 ZRGAGAMCUMIJGG-JTQLQIEISA-N 239.279 0.377 30 20 BCED C#C[C@H](C)NS(=O)(=O)c1ccccc1C=O 770365074 VHTBRQHBCJOUTC-VIFPVBQESA-N 237.280 0.799 30 20 BCED C#C[C@H](NC(=O)[C@H]1CCCOC1)[C@H]1CCCO1 772881322 FAFUFAULSARFBA-SDDRHHMPSA-N 237.299 0.710 30 20 BCED C#CCN1C[C@@H]2C(NC(=O)c3ccc[nH]3)[C@H]2C1 958216770 MOVUGCLDJXVUAN-UWVGGRQHSA-N 229.283 0.308 30 20 BCED CC(C)C#CC(=O)NCCNCc1cccnc1 1126828206 NTPOSFGNXPITRD-UHFFFAOYSA-N 245.326 0.947 30 20 BCED C#CCSCC(=O)Nc1cc(C)nc(O)n1 889845240 MGFKCROIEJELOW-UHFFFAOYSA-N 237.284 0.796 30 20 BCED C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C 1051065880 SKKFZCRTLQUVQY-GRYCIOLGSA-N 236.315 0.093 30 20 BCED C#CCOCCNC(=O)N[C@H](C)CCOC 784262413 GOOHLCWLHQFXOO-SNVBAGLBSA-N 228.292 0.360 30 20 BCED C[C@@H](C#N)S(=O)(=O)NCC(C)(C)C[C@@H](C)O 393541162 ZFKQGHFKOLHFHS-BDAKNGLRSA-N 248.348 0.615 30 20 BCED CC1CCC(N2C[C@H](C(=O)NO)CC2=O)CC1 782171540 IMCSQPBRPOQUKY-HWOCKDDLSA-N 240.303 0.919 30 20 BCED C#Cc1ccc(C(=O)N[C@](C)(CC)CO)nc1 782026943 VNQNMVDSYPKJDN-CYBMUJFWSA-N 232.283 0.954 30 20 BCED C[C@H]1C(=O)CCCN1c1cncc(C#N)n1 896340035 WPGDNUPCBUFIAV-QMMMGPOBSA-N 216.244 0.906 30 20 BCED C=C[C@@H](C)ONC(=O)[C@H]1C[C@H]1C(=O)OC 898280334 ADJDZXMKSYMSBR-GJMOJQLCSA-N 213.233 0.418 30 20 BCED C=CCCNCCNC(=O)c1ncc[nH]1 1126811693 VUVBOGQVFNNINB-UHFFFAOYSA-N 208.265 0.305 30 20 BCED COc1ccc(C=NN[C@H](C)CO)cn1 780229435 CCNWVQGQOYKNJS-MRVPVSSYSA-N 209.249 0.395 30 20 BCED C[C@@H]1C[C@@H]1C(=O)N1CCN(CCC#N)CC1 75770234 DZUIYURYYYIGFW-MNOVXSKESA-N 221.304 0.700 30 20 BCED C#CCn1nc2c(c1C(=O)OC)COCC2 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BCED CC1(C(=O)NCCNCC#N)CC(F)(F)C1 1147516582 RTCHWZGSSRHLHR-UHFFFAOYSA-N 231.246 0.651 30 20 BCED C#C[C@H](C)N(C)c1nnc(-c2nc[nH]n2)n1CC 1341003840 XJZSDXZLCRQGPF-QMMMGPOBSA-N 245.290 0.541 30 20 BCED C#CCCCS(=O)(=O)NC[C@H]1CCOC1 710311604 VAFIFSBCRMIIFL-SNVBAGLBSA-N 231.317 0.356 30 20 BCED C=C(C)CNC(=S)N1CC[C@@](C)(C(N)=O)C1 795031280 GVZRIEGGOVBCST-LLVKDONJSA-N 241.360 0.634 30 20 BCED N#CC1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 590489932 VQOOVPWMKUKAMW-UHFFFAOYSA-N 220.188 0.518 30 20 BCED C=C(CO)C(=O)NCCN(CC)C1CC1 798289361 DFZJMLTXDSAXIA-UHFFFAOYSA-N 212.293 0.135 30 20 BCED C#CCCCS(=O)(=O)NC[C@H]1C[C@H](O)C1 711172743 AUIRUWHBJPTPFE-MGCOHNPYSA-N 231.317 0.090 30 20 BCED C=CCC[C@H](CO)NC(=O)Cc1ccn(C)n1 566281339 RLNMWPKOLGESCO-LLVKDONJSA-N 237.303 0.406 30 20 BCED C#C[C@@H](NC(=O)NCC1(C#N)CC1)[C@@H]1CCCO1 797517374 IDGTVTFZZHJNSE-MNOVXSKESA-N 247.298 0.770 30 20 BCED C=CCOC(=O)c1ccoc1CC(N)=O 796839907 VFEAJKPMDMIILL-UHFFFAOYSA-N 209.201 0.650 30 20 BCED 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238.331 0.483 30 20 BCED C#CCN(CC)S(=O)(=O)N1CCCCC1 108921081 HVNUBWDFLVQDSR-UHFFFAOYSA-N 230.333 0.672 30 20 BCED C#CCNC(=O)[C@@H]1CCCCN1C(=O)CC 58061608 NYXKTTSTLPXLSH-JTQLQIEISA-N 222.288 0.527 30 20 BCED C#CCCCNC(=O)COc1c(C)nn(C)c1C 177182303 JVHWSKYILXLWDB-UHFFFAOYSA-N 249.314 0.945 30 20 BCED C=C(C)C(C)(C)C(=O)NS(C)(=O)=O 408502151 QMMZAWMXJFMLNX-UHFFFAOYSA-N 205.279 0.665 30 20 BCED N#Cc1cccc(CNCCOCCO)c1 20198597 PNBWDIJPSUKKFC-UHFFFAOYSA-N 220.272 0.657 30 20 BCED CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H]1CC1(F)F 1343508184 DRGPCOGVAVSFCR-BQBZGAKWSA-N 230.214 0.875 30 20 BCED C=C[C@](C)(O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2 1263174854 LTYZQDSRYZLXLS-NOHGZBONSA-N 238.331 0.570 30 20 BCED COCC(=O)N1CCN([C@H](C)CCC#N)CC1 351609339 RHUHSRWRTNASQF-LLVKDONJSA-N 239.319 0.469 30 20 BCED C#CCOC(=O)c1ccc(C(N)=O)cc1 60721975 ACQWLAQYOCIIKS-UHFFFAOYSA-N 203.197 0.576 30 20 BCED C=C[C@H]1CCCCN1S(=O)(=O)NC 306503068 UYIWLKJFZTWEOR-QMMMGPOBSA-N 204.295 0.491 30 20 BCED C=C(C)CS(=O)(=O)NC[C@H]1CCCN(C)C1 189430363 RMMOWZHDOQZJKR-LLVKDONJSA-N 246.376 0.824 30 20 BCED CC(C)N(C1CC1)S(=O)(=O)N(C)CCC#N 408008957 RDNYDQKTXFNUIS-UHFFFAOYSA-N 245.348 0.949 30 20 BCED N#CCC1(COC(=O)[C@H]2CCNC(=O)C2)CC1 121539375 XFXCVARATXHTFQ-VIFPVBQESA-N 236.271 0.750 30 20 BCED CC[C@H]1C(=O)NCCN1c1ncc(C#N)cc1F 413173901 PSKMDLKUYVWRER-JTQLQIEISA-N 248.261 0.807 30 20 BCED CCC[C@H](O)[C@H](CO)NC(=O)[C@]1(C#N)C[C@H]1C 412551729 VTKYUXWXLRVWTM-WDCWCFNPSA-N 240.303 0.174 30 20 BCED C=CCCOCCNC(=O)NCC(=O)NCC 127478019 COBTUABGAITNQP-UHFFFAOYSA-N 243.307 0.014 30 20 BCED CC#CCCCC(=O)N[C@H]1CCN(C)C1=O 185636383 NAYQWRMPOWGGDR-JTQLQIEISA-N 222.288 0.527 30 20 BCED CC[C@H](CC#N)NC[C@@H]1CCS(=O)(=O)C1 38083907 DJONFXUUVBDIAW-VHSXEESVSA-N 230.333 0.703 30 20 BCED C[C@@H](C#N)CN1C(=O)[C@@H]2CCCCN2C1=O 334369870 VDDXUCFOVMVUTO-IUCAKERBSA-N 221.260 0.963 30 20 BCED N#CCNC(=O)[C@@H]1COCCN1C1CCCC1 188829746 WBTJIDALKQPJJH-NSHDSACASA-N 237.303 0.270 30 20 BCED Cn1cnc(S(=O)(=O)NCCCCC#N)c1 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CC[C@@H](C#N)OC(=O)C(C)(C)NS(C)(=O)=O 84711001 GROKIMGTTYVTCQ-ZETCQYMHSA-N 248.304 0.160 30 20 BCED C=CCCn1cc(C(=O)NCCC#N)nn1 424844481 CLRRLCTWZZGBGQ-UHFFFAOYSA-N 219.248 0.498 30 20 BCED N#CCCNC(=O)CNC(=O)c1cccc(O)c1 427607812 CXLFEUKNYOFJAO-UHFFFAOYSA-N 247.254 0.152 30 20 BCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCCC1 47952804 RTOZDAFWXQPPJB-SNVBAGLBSA-N 245.348 0.809 30 20 BCED C[C@H](C[C@@H]1CCCO1)/N=C(/O)N[C@H](C)CO 330444212 WLIHAVRHDNBUEB-BBBLOLIVSA-N 230.308 0.828 30 20 BCED C/N=C(/O)NCC(=O)NC[C@@H]1CCC[C@@H]1OC 330658568 NCPKMGJSIVFUGR-IUCAKERBSA-N 243.307 0.051 30 20 BCED CC#CCNC(=O)C(=O)Nc1cccc(F)c1 190508798 VBQBJZCHUDVUNG-UHFFFAOYSA-N 234.230 0.904 30 20 BCED C=CCn1cc(CNC(=O)NCCC)nn1 424064957 OYWKYYCJVBQPKL-UHFFFAOYSA-N 223.280 0.673 30 20 BCED CCS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C#N)C1 424975705 IGEXFMFLPNGRNN-DTWKUNHWSA-N 244.316 0.230 30 20 BCED C=CC1CCN(C(=O)N[C@@H]2CCNC2)CC1 334923091 AWGIIPHYISTUGO-LLVKDONJSA-N 223.320 0.956 30 20 BCED C[C@@H](CCO)C/N=C(/O)NCC1CCOCC1 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245.348 0.257 30 20 BCED CCC[C@@H](C#N)NC(=O)[C@@H]1CN(CC)CCO1 525178166 QVDRMRMNFWKDDE-QWRGUYRKSA-N 239.319 0.516 30 20 BCED N#Cc1cccc(NC(=O)C2(C(N)=O)CC2)c1 609155894 VBMUYNUBWVEERA-UHFFFAOYSA-N 229.239 0.762 30 20 BCED C=CC[C@@H](CO)CNC(=O)N[C@H](CC)COC 341849258 ZCMLLGLJJSHIOK-GHMZBOCLSA-N 244.335 0.895 30 20 BCED C=CCCS(=O)(=O)NC[C@@H](CO)CC=C 341222708 WFQQDZALDDPRTN-JTQLQIEISA-N 233.333 0.667 30 20 BCED Cc1cc(NC(=O)[C@H]2C[C@@H](O)C2)nn1CCC#N 602132788 JHFFNACIZJXOEH-MGCOHNPYSA-N 248.286 0.815 30 20 BCED N#Cc1ccc(CNC[C@@H]2CNCCCO2)o1 600769558 ORNJLHRMUUSUAY-LBPRGKRZSA-N 235.287 0.619 30 20 BCED C[C@H](C#N)C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 347099131 ANGGMDOBEPSXHJ-IWSPIJDZSA-N 244.316 0.180 30 20 BCED C=CCOCC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]21 439031057 AIWNGZNDTIURGE-MXWKQRLJSA-N 225.288 0.873 30 20 BCED C[C@H](CCO)NC(=O)Nc1ccnc(C#N)c1 603127419 DHOXQNQVLTURHM-MRVPVSSYSA-N 234.259 0.846 30 20 BCED Cc1cc(C#N)nc(N[C@H]2C(=O)NCC2(C)C)n1 601197963 IUQCTMLOVPKMIX-VIFPVBQESA-N 245.286 0.593 30 20 BCED COC(=O)CN(CC#N)C(=O)CC1(C)CC1 346193019 SQNYQKMDWVHUBL-UHFFFAOYSA-N 224.260 0.702 30 20 BCED CC(C)[C@H](C#N)NC(=O)CC(=O)NCC1CC1 343635806 AMXCZFCGRYPOKW-JTQLQIEISA-N 237.303 0.567 30 20 BCED CSC[C@H](CCO)NC(=O)NCCCC#N 345689781 HTUOTPOLTMKTRT-VIFPVBQESA-N 245.348 0.703 30 20 BCED C=CCNC(=O)CNC(=O)c1oc(C)nc1C 347897663 XBKCHCWNSPCHHY-UHFFFAOYSA-N 237.259 0.323 30 20 BCED C[C@@H](CC#N)NC(=O)c1cn2cccnc2n1 604573860 DBLBMELSCHZOIR-QMMMGPOBSA-N 229.243 0.761 30 20 BCED CC#CCNC(=O)c1noc2c1COCC2 527533150 MQUOQGJZNCFXIQ-UHFFFAOYSA-N 220.228 0.500 30 20 BCED C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CC(=O)OC 600458724 PZBFUFHZCQXZRO-CABZTGNLSA-N 243.303 0.629 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 356727397 COPALBAKPFLMEV-HDBBIHSSSA-N 235.287 0.319 30 20 BCED COc1ccccc1C(=O)CNC(=O)CC#N 357676448 UJRFYABMYUWYMS-UHFFFAOYSA-N 232.239 0.908 30 20 BCED C/N=C(/NCc1nnc(C)n1C)N[C@@H]1C[C@H]1C 261945111 FQIXOHQIHKEWRE-VXNVDRBHSA-N 236.323 0.197 30 20 BCED CNC(=NCCOc1ccc(F)cc1)NC 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0.144 30 20 BCED C#CCCCCC(=O)N(C)CC(=O)N(C)C 119505016 PWBQVDDOFJECDR-UHFFFAOYSA-N 224.304 0.727 30 20 BCED C=CCN(C)CC(=O)N[C@](C)(C#N)C1CC1 121377919 BCRHMSBZNYXOCJ-GFCCVEGCSA-N 221.304 0.913 30 20 BCED C=CC[C@H](C)NC(=O)C[C@@H]1COCCN1 122474970 UYFOHGVCEMHGMA-VHSXEESVSA-N 212.293 0.446 30 20 BCED CO[C@H](C)C(=O)N[C@]1(C#N)CCSC1 124096464 PMZMDIDAULTOFO-APPZFPTMSA-N 214.290 0.537 30 20 BCED C#CCN1CCN(C(=O)[C@H](C)SC)CC1 128175342 BYMWKUIPSAPIII-JTQLQIEISA-N 226.345 0.515 30 20 BCED C=C[C@H](C)NS(=O)(=O)CCCC(=O)OC 130700299 ASMHATORQCDMDI-QMMMGPOBSA-N 235.305 0.434 30 20 BCED C=C(C)COCCNC(=O)NCC#CC 135778740 URTVSDSMMVWNBM-UHFFFAOYSA-N 210.277 0.902 30 20 BCED CC[C@@](C)(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 136171369 NVBXCXBESMJNGC-SCZZXKLOSA-N 244.316 0.230 30 20 BCED C=CCCOCC(=O)NCCCn1cncn1 147275672 LGVHRUTWDMAEGA-UHFFFAOYSA-N 238.291 0.377 30 20 BCED C#CCCCCNC(=O)N(CC)CCO 154923797 XKHZAKJKQFQANY-UHFFFAOYSA-N 212.293 0.814 30 20 BCED CCNC(=O)CN(CC)C(=O)c1ccc(C#N)[nH]1 160008850 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C=CCCC(=O)N[C@H](CCO)COC 225751651 YCBAFBBZLXNLQC-SECBINFHSA-N 201.266 0.466 30 20 BCED C=CCCC(=O)NC[C@H](OC)C(=O)O 227278274 MVKPVFZECPZAET-ZETCQYMHSA-N 201.222 0.168 30 20 BCED CO[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1OC 234999360 SFDLNZOCLYVBQJ-AOOOYVTPSA-N 234.259 0.198 30 20 BCED Cc1nnc(CC/N=C2\NC[C@H](C)N2)s1 262316293 QRNVWFCWZQMAKE-LURJTMIESA-N 225.321 0.326 30 20 BCED N/C(=N\CC(=O)NCC1CC1)NC1CCCC1 262345119 ZNCNGWRTBSBHCB-UHFFFAOYSA-N 238.335 0.360 30 20 BCED CC(C)N/C(N)=N/C[C@@H]1COC2(CCCC2)O1 262375773 MGXZDPIHXQAPBF-SNVBAGLBSA-N 241.335 0.985 30 20 BCED CC(C)CN1CC[C@H](C/N=C2/NC[C@@H](C)N2)C1 262679387 VLFMTWFCIQXAJU-VXGBXAGGSA-N 238.379 0.902 30 20 BCED C#CCCCCNC(=O)[C@@H]1CCCC(=O)N1 270329167 DAEKKPSXQMKKCF-JTQLQIEISA-N 222.288 0.575 30 20 BCED CN(C)C1CN(c2nccc(C#N)c2[N+](=O)[O-])C1 271756685 XGRUVUYRRHEKKD-UHFFFAOYSA-N 247.258 0.612 30 20 BCED C#CCCCCNC(=O)N[C@@H](C)c1ncnn1C 276569232 HFSIOTDZZKHUNO-JTQLQIEISA-N 249.318 0.979 30 20 BCED C#CCCCC(=O)Nc1cc(C(N)=O)n(C)c1 277104220 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0.356 30 20 BCED CN(C)[C@H]1CCCN(c2ccc(C#N)nn2)C1 301961409 IAFSDJVKCNFGCL-NSHDSACASA-N 231.303 0.879 30 20 BCED C[C@@H](C#N)CNc1ccc(C(N)=O)nn1 302038756 GVNNCPWPWKNGBS-LURJTMIESA-N 205.221 0.147 30 20 BCED COC[C@@H](C)N/C(N)=N/CCc1ccco1 303791550 XPXKUDDNZNQXFP-SECBINFHSA-N 225.292 0.761 30 20 BCED COC[C@@H](C)N/C(N)=N/C[C@@H](OC)C(C)(C)C 304699490 JCLMDYAKKJGSSE-NXEZZACHSA-N 245.367 0.987 30 20 BCED C=CCN[C@@](C)(COC)CC(=O)OC 308625894 WAYIVWOSNUUAQI-SNVBAGLBSA-N 201.266 0.730 30 20 BCED CC[C@@H](NN=C(C)c1csc(N)n1)C(=O)O 309306569 VUZGQGROZUZAIG-ZCFIWIBFSA-N 242.304 0.902 30 20 BCED COC[C@](C)(O)CNc1ccc(C#N)nc1 309986706 YOBBHMJHYBHTRP-LLVKDONJSA-N 221.260 0.763 30 20 BCED N#Cc1nccc(N2CCC[C@H](C(N)=O)C2)n1 310235138 ICEJDYURRFGGAO-QMMMGPOBSA-N 231.259 0.050 30 20 BCED N#C[C@@H]1CCCN(C[C@@H](O)CN2CCCC2)C1 310486210 GHGJHVHRXLUWSY-STQMWFEESA-N 237.347 0.679 30 20 BCED CN1C[C@H](/N=C(/O)[C@@]2(O)CCSC2)CC1=O 328929851 ALXQNNCIAQIVCY-GMSGAONNSA-N 244.316 0.042 30 20 BCED 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C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)[C@@H]1C 331823122 WTGXUBLNFXAMIY-HTQZYQBOSA-N 219.248 0.017 30 20 BCED CN(C)c1cnc(C(=O)N2CC(C)(C#N)C2)cn1 331933196 FDSKYYSVDQQXRY-UHFFFAOYSA-N 245.286 0.528 30 20 BCED C[C@]1(O)C[C@@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)C1 331974175 MEJQYNCFNJZRQB-UXCLJVHYSA-N 237.303 0.891 30 20 BCED C=CCNC(=O)N[C@@H]1CCCS(=O)(=O)C1 334425145 WXHWTLTXBZFBGO-MRVPVSSYSA-N 232.305 0.049 30 20 BCED CC[C@H]1C[C@@H](C(=O)NC2(C#N)CCC2)CC(=O)N1 335660237 HPCZPQKUQYYTFB-ZJUUUORDSA-N 249.314 0.854 30 20 BCED CS[C@@H](C)C(=O)N1CC(O)(CC#N)C1 335718265 ALVNKHGFYKXIPY-ZETCQYMHSA-N 214.290 0.225 30 20 BCED CCN1C[C@H](NC(=O)C2(C#N)CCCC2)CC1=O 336234798 HUXNBYANHRQZOW-SNVBAGLBSA-N 249.314 0.807 30 20 BCED COC[C@@H](C)NC(=O)N1CCC(C#N)CC1 336336177 JZSPDNWKLPIZPZ-SECBINFHSA-N 225.292 0.966 30 20 BCED C[C@H]1C[C@H]1CC(=O)N1CC(O)(CC#N)C1 336398724 JIPPPGKYTBULJS-IUCAKERBSA-N 208.261 0.519 30 20 BCED N#CCSCCCN[C@@H](CO)[C@@H]1CCCO1 336685960 IPMNCHXAJVVAGP-QWRGUYRKSA-N 244.360 0.763 30 20 BCED 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229.349 0.567 30 20 BCED N#Cc1nc(NCCN)ccc1C(F)(F)F 420115415 KAOMQNWRNXWYSM-UHFFFAOYSA-N 230.193 1.343 30 20 BCED CC[C@@H](CS(=O)(=O)N[C@H](C#N)C(C)C)OC 421252242 SQQNBSDKNSHTHF-VHSXEESVSA-N 248.348 0.879 30 20 BCED C[C@](CN)(NC(=O)[C@@H](N)CCCC#N)C1CC1 424086035 ZWDQNCYJGKFWHN-CMPLNLGQSA-N 238.335 0.251 30 20 BCED C[C@@H]1CSCCN1C(=O)[C@H](N)CCCC#N 424143374 QYPZYGJQBAXCKG-NXEZZACHSA-N 241.360 0.971 30 20 BCED CC(C)CCC(=O)NCC(=O)NCCC#N 427636006 IXYONNZPJOCRLX-UHFFFAOYSA-N 225.292 0.569 30 20 BCED CCN(CCC#N)C(=O)C(=O)Nc1cccnc1 446873009 WKXUEMYLMMJGIH-UHFFFAOYSA-N 246.270 0.782 30 20 BCED CCCN(CC#N)C(=O)Cn1ccc(C)n1 448762442 GALVGAHTNZSOMT-UHFFFAOYSA-N 220.276 0.954 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NCC(F)(F)CO 450665028 OTTJADDMZRZXFE-SFYZADRCSA-N 235.230 0.321 30 20 BCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC1 451753302 AUGATVASAWHNTK-SECBINFHSA-N 247.320 0.002 30 20 BCED C=CC(C)(C)CNS(=O)(=O)NC1CC1 451808741 GPNRMLLNUCGWNL-UHFFFAOYSA-N 218.322 0.785 30 20 BCED C=C(CC)CNC(=O)NCC(=O)NCCC 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243.307 0.013 30 20 BCED C#CCN(CC#N)C(=O)c1coc(CC)n1 490961964 KVVUGJUJUYBBET-UHFFFAOYSA-N 217.228 0.836 30 20 BCED N#Cc1cccc(CN2CCCC[C@H]2C(N)=O)n1 602432922 KCMRIYLJHYEWOF-LBPRGKRZSA-N 244.298 0.793 30 20 BCED C[C@@H](CS(C)(=O)=O)Nc1ccc(C#N)cn1 78637797 CRYJKZKIWRAFNV-QMMMGPOBSA-N 239.300 0.798 30 20 BCED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2)cc1 236402961 QRXRHBPNWIWJAR-GFCCVEGCSA-N 245.282 0.276 30 20 BCED C#C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 185329323 CVUHVWLEAXGICJ-QMMMGPOBSA-N 236.231 0.319 30 20 BCED Cc1nccc(C(=O)NC2(C#N)CCC2)n1 604535938 NWPBGIQKSUOKDV-UHFFFAOYSA-N 216.244 0.961 30 20 BCED C#CCNC(=O)N[C@H](C)C(=O)N[C@H](C)CC 49445128 PHUGRQUSGJALOQ-RKDXNWHRSA-N 225.292 0.222 30 20 BCED C#CCNC(=O)[C@H](C)N(CC)CC(C)(C)O 86274783 BNXPKHVRKPSXTI-JTQLQIEISA-N 226.320 0.217 30 20 BCED C=CCC[C@@H](CO)NC(=O)/C=C\c1cnn(C)c1 320512461 NDOOOYVHHUDTOH-DGMVEKRQSA-N 249.314 0.877 30 20 BCED C=C(Br)CNC(=O)c1c[nH]nn1 136265284 JWFWSBQVUFIRGV-UHFFFAOYSA-N 231.053 0.443 30 20 BCED O/C(N=c1cc[nH]cc1)=N/[C@@H]1[C@H]2COC[C@H]21 329997918 RJKDDVHKEHOPAV-MYJAWHEDSA-N 219.244 0.474 30 20 BCED C=CC[C@@H](CO)NCc1cc(C(=O)O)no1 321103191 MVFYFYSUYFIGHH-ZETCQYMHSA-N 226.232 0.399 30 20 BCED C#CCN(C)C(=O)c1cc2c([nH]c1=O)CCCC2 191074484 LQQLKTIBZQIUHW-UHFFFAOYSA-N 244.294 0.959 30 20 BCED C=CCC[C@@H](CO)NC(=O)C1(OC)CCC1 456768816 OTQBQPYUXGYMSY-JTQLQIEISA-N 227.304 0.999 30 20 BCED CNc1ccc(C#N)cc1NC(=O)[C@H](C)O 286110795 XHXUEVZBYKBRAJ-ZETCQYMHSA-N 219.244 0.919 30 20 BCED C=C[C@H](N[C@H](C)c1cnn(C)c1)C(=O)O 379811411 AIUNMSLWUWBIRY-APPZFPTMSA-N 209.249 0.710 30 20 BCED C#C[C@@H](C)NS(=O)(=O)CCCCC#N 193524016 FDNUANYOZXECSN-SECBINFHSA-N 214.290 0.621 30 20 BCED O/C(=N/CC1CCC1)N[C@@H]1[C@H]2COC[C@H]21 329991991 KEGKDDCHVBCAQE-MYJAWHEDSA-N 210.277 0.935 30 20 BCED N#Cc1ccc(N2CC[C@H](C(N)=O)C2)cn1 226799793 UXZSGVXDCCQYLQ-QMMMGPOBSA-N 216.244 0.265 30 20 BCED N#CCCN(CC(=O)NCC#N)Cc1ccco1 176297424 MGIWLTFJAZPAHC-UHFFFAOYSA-N 246.270 0.635 30 20 BCED 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30 20 BCED C=C(C)C[C@H](C)C(=O)N(C)C[C@H](O)CO 274388506 HSMSBUUYTVEEFP-UWVGGRQHSA-N 215.293 0.400 30 20 BCED C=C(C)CNC(=O)CCCN1C(=O)CCC1=O 547657564 QDEUHPDAESBQOM-UHFFFAOYSA-N 238.287 0.608 30 20 BCED C=CCNC(=O)NCc1cnn(CCOC)c1 282704717 XXCBGDILOGVWTO-UHFFFAOYSA-N 238.291 0.515 30 20 BCED C#CCN(CC#N)C(=O)[C@@](C)(O)CCC 281996559 NEGQROMBNKKSHM-NSHDSACASA-N 208.261 0.523 30 20 BCED C=CCNC(=O)[C@H]1CCCCN1C(C)=O 284987510 GDYSTYOGCCLDIZ-SNVBAGLBSA-N 210.277 0.690 30 20 BCED CCN(CC)CCNC(=O)C=NOC 383914535 ASLACGWXJODVFD-UHFFFAOYSA-N 201.270 0.077 30 20 BCED N#Cc1ccc(S(=O)(=O)NCCCF)o1 553536190 JEGFLMXSKLUQJT-UHFFFAOYSA-N 232.236 0.789 30 20 BCED COCC[C@@H](CO)NC(=O)c1ccc(C#N)[nH]1 281651862 NXCYUNQGEAQNJI-VIFPVBQESA-N 237.259 0.014 30 20 BCED C#Cc1cncc(C(=O)NC[C@H](C)OC)c1 807339124 LRBZXJHDVMLDEB-VIFPVBQESA-N 218.256 0.828 30 20 BCED C=CCOCCCC(=O)N1C[C@H](N)C[C@@H]1C 638936656 RKWLHBDBUZYYDF-WDEREUQCSA-N 226.320 0.917 30 20 BCED C=CC[C@H](CC)NC(=O)N1CCOC[C@H](O)C1 298158357 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246.245 0.872 30 20 BCED Cc1cncnc1N1CC[C@](O)(CC#N)C1 603398085 MWFMMJGRRUJACX-LLVKDONJSA-N 218.260 0.640 30 20 BCED C[C@H](C#N)CN(C)C(=O)NCc1cc[nH]n1 603825145 CUGUIOYYDYTEEE-MRVPVSSYSA-N 221.264 0.711 30 20 BCED C=CCCOCC(=O)N(C)C[C@H](C)C(=O)OC 604437326 OKIUMKNOJXBUHA-JTQLQIEISA-N 243.303 0.847 30 20 BCED CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)C#N 608854635 UGHRJRIEBZYEJY-QMMMGPOBSA-N 225.292 0.519 30 20 BCED CC(C)(C#N)NC(=O)CCN1CCCC1=O 609044080 UZHCVOYNRLOSRK-UHFFFAOYSA-N 223.276 0.417 30 20 BCED N#Cc1nc(N)n(C[C@H]2CCCOC2)c1C#N 610898218 OSNGRLDQSKVPRD-MRVPVSSYSA-N 231.259 0.635 30 20 BCED CCOC[C@@H](C(=O)OC)N(C)CC#N 610998816 WWIRMMVYJYWKKM-QMMMGPOBSA-N 200.238 0.020 30 20 BCED C=C[C@](C)(O)C(=O)N(C)C[C@@H](O)C1CC1 612168572 DJTBXXBXPXRGOE-KOLCDFICSA-N 213.277 0.153 30 20 BCED CC(C)NS(=O)(=O)N1CC[C@@](F)(C#N)C1 615549314 KYTSGFUWUCRBAM-MRVPVSSYSA-N 235.284 0.167 30 20 BCED Cn1cncc1CC(=O)N1CC[C@](F)(C#N)C1 615826366 ZIZHUKLBEPWEJX-NSHDSACASA-N 236.250 0.427 30 20 BCED 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201.266 0.730 30 20 BCED CC#CCCNC(=O)C(=O)NCCCCC#N 1346117447 HBQIWPAQPYVFCN-UHFFFAOYSA-N 235.287 0.326 30 20 BCED Cc1ocnc1C(=O)[C@@H](C#N)C(=O)NC1CC1 1263289368 CMAIHQNUGXJCEU-MRVPVSSYSA-N 233.227 0.584 30 20 BCED C#CC1(O)CN(C(=O)Nc2cc(C)ns2)C1 1354712713 HIKJZQNFRFBTMD-UHFFFAOYSA-N 237.284 0.663 30 20 BCED N#CC1(CNC(=O)[C@H](O)c2ccccn2)CCC1 1358308286 XRTNTJOJAWWEPV-LLVKDONJSA-N 245.282 0.925 30 20 BCED C=C[C@@H](COC)NS(=O)(=O)CC(C)(C)C#N 1354148552 FPAUDVGZOPUUHG-VIFPVBQESA-N 246.332 0.657 30 20 BCED C=C(Cl)CN1CC[C@](C)(NC(=O)COC)C1 1270530640 YCKDVAHOVYPQEE-NSHDSACASA-N 246.738 0.966 30 20 BCED Cn1ccnc1[C@@H](C#N)C(=O)[C@H]1COCCO1 1515838409 SYQWRQGTUMIKDQ-DTWKUNHWSA-N 235.243 0.012 30 20 BCED CN1CC[C@@H](CNC(=O)c2ccc(C#N)n2C)C1 1441954316 BJRUQTIXCIFUMQ-JTQLQIEISA-N 246.314 0.578 30 20 BCED C#CCCN1CCN(CC(=O)N2CCCC2)CC1 920415977 OTMAUMBVXBYGQY-UHFFFAOYSA-N 249.358 0.250 30 20 BCED CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cnc(C#N)n1 1524831018 SXUQITBENGJADG-KXUCPTDWSA-N 247.302 0.871 30 20 BCED N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1F 1524036708 ACXPPCXHAGUYGV-GJMOJQLCSA-N 210.208 0.332 30 20 BCED C[C@](CO)(NC(=O)c1cc(C#N)ccn1)C1CC1 1295012308 BNASTXYDZVFTMS-CYBMUJFWSA-N 245.282 0.844 30 20 BCED N#CC1(CNC(=O)c2c[nH]c(C(=O)O)c2)CC1 1601056425 YYNYFKPAOBQJEI-UHFFFAOYSA-N 233.227 0.746 30 20 BCED C=C[C@@H](C(=O)O)n1cc(CC(=O)OCC)nn1 1602806118 RVJGBAPYPRYJKO-QMMMGPOBSA-N 239.231 0.195 30 20 BCED C=C(CCC(=O)O)C(=O)NCc1ccnc(C)n1 1602783580 HSXUSBOGHWXMSC-UHFFFAOYSA-N 249.270 0.822 30 20 BCED C[C@@H](CC#N)C(=O)N1CC2CC1(C(=O)O)C2 1604060490 NACIDEBXMSKSFM-JYPKXMCJSA-N 222.244 0.612 30 20 BCED C[C@H](C#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1O 226371919 AUEXWBSSNGLXHU-IWSPIJDZSA-N 232.305 0.121 30 20 BCED CCOc1cc(C(=O)Nc2c[nH]nc2C#N)on1 1543038698 NUNJZGRLMDHBHC-UHFFFAOYSA-N 247.214 0.920 30 20 BCED N#CC1CN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)C1 1625216576 OKBZEMYBPNWKIU-HBNTYKKESA-N 220.272 0.926 30 20 BCED CC(=O)N1CCC(CNC(=O)CC#N)CC1 1627400853 QBCVNRYFKYVGNC-UHFFFAOYSA-N 223.276 0.275 30 20 BCED N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3nnnn3CC2)C1 1560890941 URGGTKZZEKRDKF-GMTAPVOTSA-N 246.318 0.660 30 20 BCED CC[C@](C)(C#N)C(=O)N[C@@H](CO)COC 229130459 ZPOJLFLKGWVVRT-WCBMZHEXSA-N 214.265 0.050 30 20 BCED CC(C)CC(=O)NCCN(C)C(=O)[C@@H](C)C#N 1721057355 OAMKSVIKRDMTFU-JTQLQIEISA-N 239.319 0.767 30 20 BCED C[C@@H](CCNC(=O)c1cncnc1)NCC#N 1733904729 NXJPKZMUPUQFOH-VIFPVBQESA-N 233.275 0.098 30 20 BCED COCC[C@@](C)(C#N)NC(=O)[C@@H](N)CC(C)C 1573974259 JMCFMVRCQYASJM-JQWIXIFHSA-N 241.335 0.795 30 20 BCED C[C@@H]1CN(C[C@H](C#N)CCC#N)C[C@H]1CN 1579440112 OXJSZEUSBANMOM-GRYCIOLGSA-N 220.320 0.957 30 20 BCED CCCC[C@H](N)C(=O)N=C1C[C@H](C)ON1 1577407503 MWNXEKYUTLSDDW-YUMQZZPRSA-N 213.281 0.742 30 20 BCED C=C[C@H](COC)Nc1ncccc1-c1nn[nH]n1 1588525909 NHWNHHDUWCAONR-MRVPVSSYSA-N 246.274 0.875 30 20 BCED C=CCN(CN1C[C@@H](C(=O)O)OC1=O)C1CC1 1588829371 WNMDJRFDNSMPAE-VIFPVBQESA-N 240.259 0.500 30 20 BCED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)O 1589079453 QTENQVQYSZZFPW-VIFPVBQESA-N 246.266 0.938 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N#Cc1n[nH]cc1NC(=O)[C@H]1CC[C@@H](C(=O)O)C1 1605590489 GGYPNUARZWMBLB-NKWVEPMBSA-N 248.242 0.721 30 20 BCED C/N=C(/NC)NCc1cc(C(=O)O)c(C)n1C 1606260016 VEOFWSFOJZQOQB-UHFFFAOYSA-N 238.291 0.327 30 20 BCED C=C[C@H](C(=O)O)N1CCO[C@H](COC(C)C)C1 1609264166 FRJLDQQENFKKTP-WDEREUQCSA-N 243.303 0.751 30 20 BCED CC[C@@H](C(=O)O)C(=O)N1CC[C@@](F)(C#N)C1 1609887673 UQUVPGQUGLCXHA-GMSGAONNSA-N 228.223 0.561 30 20 BCED CC(C)(C#N)CNC(=O)c1ccc2nn[nH]c2n1 1611441219 IQBAGZNAOQAXMK-UHFFFAOYSA-N 244.258 0.632 30 20 BCED Cc1[nH]c(C#N)cc1C(=O)NCCc1ncc[nH]1 1633799357 LOJOLMVALISDBG-UHFFFAOYSA-N 243.270 0.890 30 20 BCED C=C(C)CN[C@@H](C)CCNC(=O)CCN(C)C 1700326495 NGRIXUCMADNLMJ-LBPRGKRZSA-N 241.379 0.999 30 20 BCED C#CCCN[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 1713188677 NFYUQWCAVQYXRW-FRRDWIJNSA-N 249.358 0.341 30 20 BCED C#CCNCCCN(C)C(=O)c1cccc(O)n1 1754365102 CMZMUOSNZBNLGI-UHFFFAOYSA-N 247.298 0.472 30 20 BCED C=CCOCC(=O)NC[C@@H](C)N(C)C(C)=O 1756012324 WEPHAVUWJIKCIP-SECBINFHSA-N 228.292 0.172 30 20 BCED 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C=CCN(CCOC)C(=O)[C@@H]1COCCO1 191961130 RBHVCFONKYGRNA-JTQLQIEISA-N 229.276 0.063 30 20 BCED C=CCNC(=O)N[C@@H](C)c1cnn(C)c1 80542289 WWMVSXNNYOQUKY-QMMMGPOBSA-N 208.265 0.966 30 20 BCED C=CCNC(=S)NC[C@@H]1CCS(=O)(=O)C1 40166831 LLKRCFBSPZWQFJ-QMMMGPOBSA-N 248.373 0.071 30 20 BCED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)NC 424170535 KFHRFZJULDDYRU-AXFHLTTASA-N 226.320 0.692 30 20 BCED N#CCCN=c1ccc2c([nH]1)CCC2=O 379931272 ONUMNWCTXYCVGS-UHFFFAOYSA-N 201.229 0.958 30 20 BCED COc1cccc(C[C@H](O)C(=O)NCCC#N)c1 427654740 OUDQBTOHLUFONM-LBPRGKRZSA-N 248.282 0.628 30 20 BCED C#CCCCC(=O)NCc1cnn(C)c1 192087492 XCOOYMDNFTXDPU-UHFFFAOYSA-N 205.261 0.840 30 20 BCED C=CCN1CC[C@H](N(C)Cc2nc[nH]n2)C1=O 328837625 TVAXNAQYNDDYFJ-VIFPVBQESA-N 235.291 0.023 30 20 BCED CN(CC/N=C(/O)[C@@]1(O)CCSC1)C1CC1 328963948 LPMTXGGTKIGEDF-LLVKDONJSA-N 244.360 0.905 30 20 BCED CCN(CC)C(=O)N1CCN(CC#N)CC1 42133689 ARBIRHCQXROPRS-UHFFFAOYSA-N 224.308 0.589 30 20 BCED C=CCCOCCNC(=O)NC[C@@H](C)O 192537746 QGXVIWGKTVRPDU-SECBINFHSA-N 216.281 0.259 30 20 BCED C#CCNCC(=O)N(CC)C[C@@H]1CCCO1 86157089 AVFOLHMSEMDZHY-NSHDSACASA-N 224.304 0.237 30 20 BCED COC(=O)[C@@H](C)CNc1nccnc1C#N 263893084 OJBPZIWPGQAXKF-ZETCQYMHSA-N 220.232 0.569 30 20 BCED N#C[C@@H](C(=O)COCC1CC1)C(=O)NC1CC1 193464643 VCKNIGVEJRCNIA-JTQLQIEISA-N 236.271 0.400 30 20 BCED C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCCO1 42867934 DYELBPXSSKKYSD-UWVGGRQHSA-N 225.292 0.966 30 20 BCED CC[C@@H](NN=Cc1c(C)cnn1C)C(=O)O 381268144 UTHXMHCDMXUKSY-MRVPVSSYSA-N 224.264 0.515 30 20 BCED C[C@H](C(=O)N[C@@H](C#N)C1CC1)n1cccn1 224730329 HHHABHISRUGFMO-SCZZXKLOSA-N 218.260 0.862 30 20 BCED O/C(=N/[C@@H]1CCn2ccnc2C1)c1cnc[nH]1 330309132 MRWCMCMKRDLQKU-MRVPVSSYSA-N 231.259 0.926 30 20 BCED C=CCN1CC[C@H](N2CC[C@@H](C)[C@@H](O)C2)C1=O 337170750 DDAAIHOADSYMLQ-WOPDTQHZSA-N 238.331 0.476 30 20 BCED Cc1onc(CC(=O)NCC[C@@H](C)O)c1C#N 330747035 FZCPBKKXAZSJFM-SSDOTTSWSA-N 237.259 0.284 30 20 BCED C=C1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 334400987 FIVKIRIMZRJANH-JTQLQIEISA-N 231.317 0.757 30 20 BCED CO[C@H]1COC[C@@H]1Nc1cccc(C#N)n1 290611637 FQVHZAKPWNWAMU-UWVGGRQHSA-N 219.244 0.779 30 20 BCED CC#CCN(C)C(=O)c1cc2n(n1)CCCO2 334235609 HFODGDUXBGJGQH-UHFFFAOYSA-N 233.271 0.761 30 20 BCED C[C@H](/C(O)=N/[C@@H]1[C@H]2COC[C@H]21)n1cncn1 330106000 KFTXBJRAABYADQ-HXFLIBJXSA-N 222.248 0.440 30 20 BCED CCN(CC)CC(=O)N1CCSC[C@@H]1C#N 337474574 SSCIOLUWUQBPKV-JTQLQIEISA-N 241.360 0.796 30 20 BCED CCN(CC#N)C(=O)c1ncc(OC)cn1 339137296 QJSVQRBKSUCZJR-UHFFFAOYSA-N 220.232 0.471 30 20 BCED C#CC[C@@H](NC(=O)c1cccnc1F)C(=O)O 236433482 MUAHPQJXKQNDCU-MRVPVSSYSA-N 236.202 0.427 30 20 BCED CCc1nc(S(=O)(=O)CCCC#N)n[nH]1 330738633 ZPNDNQULCUMPSY-UHFFFAOYSA-N 228.277 0.445 30 20 BCED CCO[C@H]1C[C@@H]1NC(=O)NCCCC#N 516946784 KDAFVIPWCQSTKZ-IUCAKERBSA-N 211.265 0.767 30 20 BCED C=C[C@@H](CO)NC(=O)c1ccc(O)c(C)c1 292545811 DHUYAHKYZOVLOE-JTQLQIEISA-N 221.256 0.977 30 20 BCED C[C@H](O)CNC(=O)c1ccc(C#N)s1 334343877 MUFMYUQMNCUNGQ-LURJTMIESA-N 210.258 0.730 30 20 BCED C[C@H](C/N=C(/O)Nc1ccnn1C)N(C)C 331144523 VLBPSNOXDSXTFN-MRVPVSSYSA-N 225.296 0.696 30 20 BCED C=CCOCCN1CCOC[C@@H]1C(=O)OC 293941061 ZURJALLODPVWJP-SNVBAGLBSA-N 229.276 0.063 30 20 BCED C=CCOCC(=O)N(C)[C@H]1CCCOC1 340889099 GEUHCZLYKBQABW-JTQLQIEISA-N 213.277 0.826 30 20 BCED C=C(C)CN(C)C(=O)C(=O)Nc1cnn(C)c1 340546734 LXNLFEUQKZFKJQ-UHFFFAOYSA-N 236.275 0.393 30 20 BCED C=CC[C@H](CO)CNS(=O)(=O)CC(=C)C 435445287 DPJAKDIRETVDQA-JTQLQIEISA-N 233.333 0.667 30 20 BCED CO[C@@H]1COC[C@@H]1NC[C@@H](C)CCC#N 602686806 FCLZKNOJPQWGRN-GARJFASQSA-N 212.293 0.930 30 20 BCED N#CCCN1C(=O)[C@@H]2C[C@H](F)CN2C1=O 348565599 SVXWEFOWPCRELK-BQBZGAKWSA-N 211.196 0.275 30 20 BCED C=CC[C@H](CO)CNC(=O)c1ccncc1 342170794 ZCJIMWDXKZJZFU-JTQLQIEISA-N 220.272 0.996 30 20 BCED C=CCOCCn1cc(CSCCN)nn1 603220783 YRNPARRIVARILQ-UHFFFAOYSA-N 242.348 0.673 30 20 BCED C[C@@H]1C[C@@H](C(=O)N[C@]2(C#N)CCOC2)CO1 438942879 LYZCPFXGUNHJIW-KKZNHRDASA-N 224.260 0.210 30 20 BCED C=CCN(CCC#N)C(=O)[C@@H](CC)NC(C)=O 601588860 APTLVIOHBUFROF-LLVKDONJSA-N 237.303 0.829 30 20 BCED C=CCN(CCC#N)C(=O)[C@H](CC)NC(C)=O 601588861 APTLVIOHBUFROF-NSHDSACASA-N 237.303 0.829 30 20 BCED Cn1cc(C(=O)C(=O)NCC2(CC#N)CC2)cn1 431132736 OEKTXNHCJQJINQ-UHFFFAOYSA-N 246.270 0.413 30 20 BCED C=CCOCC(=O)N1C[C@@H](O)[C@@H](CC)C1 340767401 GOYJFBXFVWLFOL-VHSXEESVSA-N 213.277 0.418 30 20 BCED N#Cc1cccc(CN[C@@H]2CCCCNC2=O)n1 602507599 FRWHMPCCQHCEJW-GFCCVEGCSA-N 244.298 0.712 30 20 BCED CC#CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 345781726 ZYYLLWCXUNJNTO-UWVGGRQHSA-N 222.288 0.418 30 20 BCED C[C@H](C#N)CN1NC(=O)CC2(CCCC2)C1=O 601934102 XUQXQQZQVNKKPK-SECBINFHSA-N 235.287 0.970 30 20 BCED N#C[C@@H]1COCCN1C(=O)C[C@H]1CCOC1 700149080 OEYJVFHUUAWAHC-NXEZZACHSA-N 224.260 0.164 30 20 BCED C[C@H](CCC#N)CN1CCC[C@@H]1C(N)=O 602680985 IZLJYIUTFNIUNT-NXEZZACHSA-N 209.293 0.876 30 20 BCED C[C@H]1CO[C@@H](CO)CN1C(=O)CC(C)(C)C#N 354963184 NOQLUGNPILLALO-VHSXEESVSA-N 240.303 0.534 30 20 BCED C=CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C 353788263 RECUSVZHFDWUAW-BDAKNGLRSA-N 210.277 0.688 30 20 BCED CC#CCCNC(=O)c1cnn2cccnc12 353937402 CSXBVGKZCRDQMH-UHFFFAOYSA-N 228.255 0.873 30 20 BCED CC(C)(C)c1nc(Cn2cc(C#N)nn2)no1 603332474 DSGNJRJLJZFIMA-UHFFFAOYSA-N 232.247 0.879 30 20 BCED Cc1cnc(C(=O)N2CCN(CCC#N)CC2)o1 601256819 BBTZTALWFUQDJZ-UHFFFAOYSA-N 248.286 0.655 30 20 BCED CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)C#N 608854634 UGHRJRIEBZYEJY-MRVPVSSYSA-N 225.292 0.519 30 20 BCED Cc1ccc(C(=O)N(CC#N)CC#N)cn1 355542021 RIHVDPWQYNQQLB-UHFFFAOYSA-N 214.228 0.879 30 20 BCED CN1CC2(CCN(C(=O)CSCC#N)C2)C1 619251863 SQUKSXSMZGAHJU-UHFFFAOYSA-N 239.344 0.407 30 20 BCED COCCC[C@H](C)C(=O)N[C@@]1(C#N)CCOC1 358461653 NOFISJSSBAEXAK-CMPLNLGQSA-N 240.303 0.848 30 20 BCED CC(=O)N1CC(C(=O)N(C[C@H](C)C#N)C2CC2)C1 615963452 ZHWMJLYFAGSRCG-SECBINFHSA-N 249.314 0.615 30 20 BCED C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)COC 359682397 XHXPKJNELHOBII-AXFHLTTASA-N 243.303 0.091 30 20 BCED CCC[C@@H](NC(N)=O)C(=O)N(C)C[C@H](C)C#N 268451472 MJKCBTTURGRQOP-RKDXNWHRSA-N 240.307 0.441 30 20 BCED C=CCCCCNC(=O)N[C@H](C)CC(N)=O 353316955 XCDIMQAYCQWKHG-SECBINFHSA-N 227.308 0.906 30 20 BCED CO[C@@H]1CCC[C@H]1C/N=C(\N)N1CCOCC1 263191356 YPCXSYXDEITILQ-WDEREUQCSA-N 241.335 0.448 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](CC)C(C)(C)O 615371634 WVTDVOHMZBQUEP-YUMQZZPRSA-N 201.266 0.199 30 20 BCED CCC[C@H](C#N)NC(=O)C[C@H](C)C(=O)OC 531627864 XUXLZJPLHTYNCD-DTWKUNHWSA-N 226.276 0.994 30 20 BCED C=C[C@@](C)(O)C(=O)N1CC[C@@H](CCCO)C1 616162095 LOSQJGKTLJVJFU-ZYHUDNBSSA-N 227.304 0.544 30 20 BCED N#CCC1(CNC(=O)N2CCO[C@H]3C[C@H]32)CC1 366158389 QHBIGLZHBWDRFP-ZJUUUORDSA-N 235.287 0.863 30 20 BCED C=CCC[C@@H](CO)NC(=O)[C@](C)(O)C1CCC1 456769566 QEBCZCJDBRXYGN-WCQYABFASA-N 241.331 0.981 30 20 BCED N#CCCCC(=O)NCCn1cccn1 360033247 ONAXIXDQDVFMRI-UHFFFAOYSA-N 206.249 0.693 30 20 BCED C=C[C@@H](O)C(=O)N(C)c1c(C)noc1C 611725793 QOQANSVLTODFPT-MRVPVSSYSA-N 210.233 0.801 30 20 BCED CCN1C[C@H](NC(=O)NCCCC#N)CC1=O 454795016 VQBFFRZBYKCEGD-SECBINFHSA-N 238.291 0.210 30 20 BCED C[C@@H](CC#N)NC(=O)Nc1nccn(C)c1=O 360298324 DVVXMRILBPFVFA-ZETCQYMHSA-N 235.247 0.204 30 20 BCED C=C[C@](C)(O)CC(=O)Nc1ccn(C)n1 278657170 OZUSLNRYGCDUOW-JTQLQIEISA-N 209.249 0.686 30 20 BCED C=CCN(CCOC)C(=O)CC1(O)CCC1 451144747 JKHHVCDWOBACGX-UHFFFAOYSA-N 227.304 0.953 30 20 BCED CC1(C)C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(=O)O1 272198499 AFIMHAABXILAHN-VIFPVBQESA-N 247.254 0.710 30 20 BCED COC1CN(C(=O)c2cnccc2C#N)C1 362794691 FBMIPNXILHCAIU-UHFFFAOYSA-N 217.228 0.424 30 20 BCED C[C@H](C[S@](C)=O)N(C)CCCC#N 185115587 UNPHTEVXSQXVJS-RNCFNFMXSA-N 202.323 0.989 30 20 BCED COC[C@@H](CNC(=O)NC[C@H](C)C#N)OC 543801906 RGPGEHVGKJXRTJ-RKDXNWHRSA-N 229.280 0.107 30 20 BCED C=C[C@@H]1CCCCN1CCS(=O)(=O)NC 621288062 LHFKVVMYDPUUOH-SNVBAGLBSA-N 232.349 0.576 30 20 BCED N#Cc1c[nH]c(C(=O)NCCOC(=O)C2CC2)c1 282989185 UPNOAVLOFPGRLV-UHFFFAOYSA-N 247.254 0.569 30 20 BCED CO/N=C/C(=O)NC(C)(C)c1nc(C)no1 285688412 KGJRCGPLPNIBPE-BJMVGYQFSA-N 226.236 0.362 30 20 BCED CC1(C#N)CN(C(=O)C(=O)c2ccc(O)cc2)C1 288327079 XXXBFFPLULAQFO-UHFFFAOYSA-N 244.250 0.947 30 20 BCED C#C[C@@H](NCN1CCC(=O)CC1)C(C)C 289319440 FOLGRQDIFUPJKL-GFCCVEGCSA-N 208.305 0.856 30 20 BCED C=C(Cl)CNC(=O)[C@@H](O)c1cnn(C)c1 283221606 YFJFBAXSRVEPAE-QMMMGPOBSA-N 229.667 0.322 30 20 BCED C=CCN1CC[C@@H](N(C)CCn2cccn2)C1=O 282086935 UZOXPEWIRALJGH-GFCCVEGCSA-N 248.330 0.602 30 20 BCED CC#CCN(C)C(=O)N[C@@H](C)C(=O)N(C)CC 298177602 CWFXBWMMUPZHNV-JTQLQIEISA-N 239.319 0.518 30 20 BCED CON=CC(=O)N[C@@H]1C[C@H](OC)C1(C)C 809712324 JEPWZIAKWGHCTD-SFYZADRCSA-N 214.265 0.548 30 20 BCED N#Cc1cc(O)cc(C(=O)N[C@H](CO)C2CC2)c1 809750656 CNZHQNZYSCHKPP-GFCCVEGCSA-N 246.266 0.765 30 20 BCED CC#CC(=O)N1CC[C@H](C)[S@](=O)CC1 801237404 WLAYKSRQBVSFMM-LKFCYVNXSA-N 213.302 0.379 30 20 BCED C#CCONC(=O)[C@@H](C)N(C)CC(F)(F)F 291323738 TWJVTPOEBDPRHT-SSDOTTSWSA-N 238.209 0.550 30 20 BCED C#CCNC(=O)CCN1CC[C@H](CC)C1 292900675 VZIRKBCOWVJEQX-NSHDSACASA-N 208.305 0.858 30 20 BCED C=CCS(=O)(=O)NC(=O)C1CC(OCC)C1 805902090 IABOYYNWOXNZRQ-UHFFFAOYSA-N 247.316 0.434 30 20 BCED CC[C@H](C#N)OC(=O)[C@@H](O)c1cccnc1 803954558 SKAJKNFEWPLZCL-ZJUUUORDSA-N 220.228 0.960 30 20 BCED C#CCO[C@H](C)C(=O)NCc1ccoc1 294454485 HSGORZCSKZHRBV-SECBINFHSA-N 207.229 0.934 30 20 BCED C[C@@H](N)[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 564942944 REFJOVGHCLJORB-PHDIDXHHSA-N 232.247 0.075 30 20 BCED C=CCNC(=O)c1ccc(-n2cnnn2)c(C)c1 642162529 KNDGLZHYKFWVIC-UHFFFAOYSA-N 243.270 0.887 30 20 BCED COCC#CCn1ccn2c(=O)nccc12 641724586 FRUOZSRWEUQZJU-UHFFFAOYSA-N 217.228 0.146 30 20 BCED COc1nccnc1NN=Cc1cnccn1 807985217 CHPCPOUUDYJKBF-UHFFFAOYSA-N 230.231 0.721 30 20 BCED CC#CCN(C)C(=O)c1ccc(=O)n(C)c1 294554863 MYJJWKUSGDMNIB-UHFFFAOYSA-N 218.256 0.481 30 20 BCED C=CCn1cc(C(=O)NC2CC=CC2)nn1 648323988 GVHOHFMXMQZGJW-UHFFFAOYSA-N 218.260 0.913 30 20 BCED OCCNN=Cc1cccc(F)c1F 814943176 IMFYAUILVVSKLN-UHFFFAOYSA-N 200.188 0.881 30 20 BCED CC[C@H](O)CNN=C1C(=O)N(C)c2ccccc21 811654870 XZVNSESBYLCABQ-VIFPVBQESA-N 247.298 0.728 30 20 BCED C#CC[C@@H]1NC(=O)N(C[C@@H]2CCCOC2)C1=O 810001641 JYWILUSXJJAEQX-UWVGGRQHSA-N 236.271 0.357 30 20 BCED COC(=O)C[C@@H]1CCC(=NNCCO)[C@@H]1C 814944648 SGYZHQIAAFXWOC-BDAKNGLRSA-N 228.292 0.534 30 20 BCED Cc1cc(C)c(C=Nn2c(O)nnc2O)[nH]1 814231437 XFWAZOLUYGAHRU-UHFFFAOYSA-N 221.220 0.516 30 20 BCED N#CCCOCCOC(=O)[C@H]1CCOC1 815196823 CBQUSLBNAHMAJW-VIFPVBQESA-N 213.233 0.496 30 20 BCED COCC#CCOC(=O)c1cc(C=O)c[nH]1 815252798 KHPNYKCYABBANK-UHFFFAOYSA-N 221.212 0.634 30 20 BCED c1nc(NN=C2COCCOC2)c2nc[nH]c2n1 814813905 NKEZYNXNBVPQTR-UHFFFAOYSA-N 248.246 0.168 30 20 BCED C#C[C@@H](CC)NC(=O)NCCc1ccn(C)n1 491350185 MAMXMLLTHXXFNZ-JTQLQIEISA-N 234.303 0.674 30 20 BCED C=CCC[C@@H](O)CN1CCOC[C@@H]1C(=O)O 575065483 MOSCLJHOFBDCRT-NXEZZACHSA-N 229.276 0.099 30 20 BCED C#CCN(C)C(=O)NC[C@H](C)CN1CCCC1 491703938 TTWQGNSSQCJCNN-LBPRGKRZSA-N 237.347 0.993 30 20 BCED C#C[C@H](NC(=O)NOCCOCC)C(C)C 490976435 YHDZMNXEJXESMX-JTQLQIEISA-N 228.292 0.912 30 20 BCED C#C[C@@H](C)NC(=O)N1CCOCC(F)(F)C1 820406668 VUFQTXAMIDBDSE-MRVPVSSYSA-N 232.230 0.685 30 20 BCED 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N#CCSCC(=O)N1CCC[C@H](CO)CC1 332037827 SYWVUSOLPOGPJV-JTQLQIEISA-N 242.344 0.864 30 20 BCED COCC#CCN1CC[C@H](CS(C)(=O)=O)C1 644766188 OTKGODULDSANPK-NSHDSACASA-N 245.344 0.003 30 20 BCED CC#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1C 649183156 NFZRLAFSPYWNOC-NWDGAFQWSA-N 238.331 0.361 30 20 BCED Cc1cc(=N[C@@H]2CCCN(C)C2=O)cc(C#N)[nH]1 342818071 UEQBCQRWAHIHFU-GFCCVEGCSA-N 244.298 0.716 30 20 BCED N#Cc1ccc(CC(=O)NCC2CNC2)cc1 704670501 VFUGPBYVPMEOLO-UHFFFAOYSA-N 229.283 0.436 30 20 BCED C#CCOCCN(CC(N)=O)Cc1ccccc1 851770087 WLFIJXLEACRMHP-UHFFFAOYSA-N 246.310 0.624 30 20 BCED C#CCOCCN1CCCC[C@H]1CCO 851752099 YYZUVXSKPHLWMX-LBPRGKRZSA-N 211.305 0.873 30 20 BCED C[C@@H](C#N)C(=O)N[C@H](CCO)C(F)(F)F 854618812 HVDILOWKNIEZJC-NTSWFWBYSA-N 224.182 0.576 30 20 BCED CCN(CCC#N)C[C@@H]1CCS(=O)(=O)C1 1320962474 OXUBXZAPVGIZNR-JTQLQIEISA-N 230.333 0.657 30 20 BCED CC1=C(C(=O)N2CCOC[C@@H]2C#N)CCCO1 178961961 DZTZVEXIUWKYDK-JTQLQIEISA-N 236.271 0.822 30 20 BCED CCn1cc(S(=O)(=O)N(C)CC#N)nc1C 50265712 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N#CCCNC(=O)N[C@H]1CCN(C2CC2)C1 408367895 ZMMZTHBWBWYLPG-VIFPVBQESA-N 222.292 0.436 30 20 BCED CC(=O)OCCCCn1cnc(C#N)c1C#N 126289274 LDDYCWVHBKQNDJ-UHFFFAOYSA-N 232.243 0.970 30 20 BCED C#CCNC(=O)[C@@H](C)SCCCNC(C)=O 123263515 FAMYFOIFQKSICM-SECBINFHSA-N 242.344 0.384 30 20 BCED C[C@H]1CCCN(/C(N)=N/CC(F)(F)CO)C1 184822769 NVEQHSJGHDCDJT-QMMMGPOBSA-N 235.278 0.661 30 20 BCED Cc1cc(N(C)CCC(N)=O)cc(C#N)n1 308273029 SEUCVZYQQAJLBP-UHFFFAOYSA-N 218.260 0.573 30 20 BCED CCc1nnc(N(C)CC(N)=O)c(C#N)c1CC 125824278 VHZSOLJYWVRIGE-UHFFFAOYSA-N 247.302 0.395 30 20 BCED C[C@@H](O)CCN(C)C(=O)NC[C@@H](C)C#N 182806515 FYOKPEGAOVDMMA-DTWKUNHWSA-N 213.281 0.558 30 20 BCED C#CCCCCNC(=O)c1ccn(C)c(=O)c1 156113298 UNNITPFZDPDREU-UHFFFAOYSA-N 232.283 0.919 30 20 BCED C#CCNC(=O)CCc1c(C)noc1C 78810311 OZIIOYRUAVJXCE-UHFFFAOYSA-N 206.245 0.973 30 20 BCED C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CCN1 602493221 QYWMSLAIHWFFHE-ZJUUUORDSA-N 221.304 0.937 30 20 BCED C=CCN(C1CC1)S(=O)(=O)CCCC(=O)O 131081606 ZYWKGUFBGGTNNK-UHFFFAOYSA-N 247.316 0.831 30 20 BCED COCCN(CCC#N)C(=O)c1cc(N)ccn1 71232994 GGRYJJODMSSLTP-UHFFFAOYSA-N 248.286 0.666 30 20 BCED C[C@@H](C#N)CNC(=O)NC[C@@H](C)Cn1cccn1 182602031 NBIGWUZEKOOWRR-WDEREUQCSA-N 249.318 0.978 30 20 BCED C[C@H](O)CN(C)c1ncc(C#N)cc1F 413302142 LSFJMLZEIUYUOO-ZETCQYMHSA-N 209.224 0.909 30 20 BCED CN1CCN(CCNc2cnccc2C#N)CC1 135787189 RUOCSDGUZYHVBA-UHFFFAOYSA-N 245.330 0.613 30 20 BCED C#CCNC(=O)[C@@H](C)SCCOC 173726479 SWQUEDWEVIIXKP-MRVPVSSYSA-N 201.291 0.504 30 20 BCED CC[C@@H](O)CNC(=O)C#Cc1ccccc1 135338735 TUKMDOXGOTVLIU-GFCCVEGCSA-N 217.268 0.925 30 20 BCED CC[C@@](C)(C#N)NC(=O)CN(C)C(C)=O 523355357 ICDRXYIXHNMSEP-JTQLQIEISA-N 211.265 0.273 30 20 BCED Cn1cc(CCn2cccc(C#N)c2=O)cn1 226150032 KNVDRRNCRANDAC-UHFFFAOYSA-N 228.255 0.696 30 20 BCED N#CCCCN=c1cc[nH]cc1C(N)=O 380024357 XUIJNSDPVQIZLN-UHFFFAOYSA-N 204.233 0.318 30 20 BCED CC(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C#N 229159070 UDPKOAHJQSWKQZ-MRVPVSSYSA-N 225.292 0.565 30 20 BCED CCCCOCCN/C(N)=N/C[C@H]1CCCO1 195522663 OSNULVBKQRSLTQ-LLVKDONJSA-N 243.351 0.886 30 20 BCED C[C@H](CC(N)=O)Nc1cnccc1C#N 161307341 IPFRKJDZFLGTLN-SSDOTTSWSA-N 204.233 0.629 30 20 BCED N#Cc1cccc(NC(=O)COCCN)c1 86434204 DZBAFYWJVWNAQH-UHFFFAOYSA-N 219.244 0.472 30 20 BCED CC(C)SCC(=O)N1CCO[C@H](C#N)C1 609268191 GDPVCYBGWBKDLE-SECBINFHSA-N 228.317 0.879 30 20 BCED CC(C)[C@@H](C(=O)N1CCO[C@@H](C#N)C1)N(C)C 133392686 MVWAPMKOMGIMSS-QWRGUYRKSA-N 239.319 0.324 30 20 BCED CC(C)[C@@H](C)NS(=O)(=O)[C@H](C)C#N 83921028 IXZIUIBBPPUUME-HTQZYQBOSA-N 204.295 0.862 30 20 BCED CC1(/C(O)=N/[C@@H]2CCS(=O)(=O)C2)COC1 329314313 RRZRPRKGWMTQTE-SSDOTTSWSA-N 233.289 0.167 30 20 BCED CCC(C#N)(CC)C(=O)N[C@@H](CCO)COC 228412936 KBLSGRPGXURIQI-JTQLQIEISA-N 242.319 0.830 30 20 BCED C#CC(C)(C)N(C)S(=O)(=O)N(C)CCOC 195472030 PTGYOHRCSHHCJY-UHFFFAOYSA-N 248.348 0.153 30 20 BCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N)C1 424061906 ULSQYOWNYLGECH-UTUOFQBUSA-N 238.331 0.917 30 20 BCED C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)n1cncn1 424969205 AUOQSKWCPHWMCY-KXUCPTDWSA-N 233.275 0.648 30 20 BCED CN(C)C(=O)CC(=O)N[C@]1(C#N)CC1(C)C 336566255 UKUMWVSVKWCWGE-NSHDSACASA-N 223.276 0.273 30 20 BCED C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1 192883644 UNTYXIRFAYHING-NXEZZACHSA-N 241.287 0.901 30 20 BCED CC(C)OC(=O)CCCNC(=O)NCCC#N 426418208 FTAOQXNLGJWCMX-UHFFFAOYSA-N 241.291 0.931 30 20 BCED C=C[C@@H](C)NC(=O)NCC(=O)NC(C)C 332478719 AVSVXXJDARECLL-MRVPVSSYSA-N 213.281 0.385 30 20 BCED C[C@@H]1OCC[C@@]1(C)NC(=O)NCCC#N 335458522 POUDGLIGAQTYDB-WCBMZHEXSA-N 211.265 0.767 30 20 BCED C=CCCN1CCS(=O)(=O)C[C@@H](C)C1 335927503 QRSVJYYAIOEYHB-JTQLQIEISA-N 217.334 0.929 30 20 BCED C=CCCC(=O)NCCNC(=O)c1cnccn1 338662677 YDBRCSUOTIJWEJ-UHFFFAOYSA-N 248.286 0.289 30 20 BCED C=CCN(CCOC)C(=O)C1CN(C(C)=O)C1 191966957 ZHIHVCYFHAMLLW-UHFFFAOYSA-N 240.303 0.126 30 20 BCED CO[C@@H](CNC(=O)NCCC#N)C(C)C 426411008 KTGLXXKEHLFEKV-VIFPVBQESA-N 213.281 0.870 30 20 BCED C#CC[C@H](NC(=O)C1CC(F)(F)C1)C(=O)O 383362117 HATNZEMXMJVQNT-ZETCQYMHSA-N 231.198 0.624 30 20 BCED C=CCN1CC[C@@H](N2CCCC[C@H]2CN)C1=O 420288436 HAAARLBAAVMKLP-NWDGAFQWSA-N 237.347 0.587 30 20 BCED C=C(C)CN(C)C(=O)C1CN(C(C)=O)C1 335693250 PCSASDDCRKORBF-UHFFFAOYSA-N 210.277 0.499 30 20 BCED CC[C@@H](C(=O)N1CC(C)(C#N)C1)[C@H](C)O 334971386 RESJIKPKHPGBPT-DTWKUNHWSA-N 210.277 0.765 30 20 BCED C=CCCO[C@H](C)C(=O)N1CC[C@](F)(CO)C1 338750111 KYRLTMFAENVBMN-ZYHUDNBSSA-N 245.294 0.901 30 20 BCED CO/N=C/c1ccc(C(=O)NC[C@H](C)O)cc1 97211033 BESNPHHNVBYOPX-PFMRQGHBSA-N 236.271 0.778 30 20 BCED C#C[C@@](C)(CC)NC(=O)c1ccnn1C 384195748 JFWUBJAMIABRGT-NSHDSACASA-N 205.261 0.952 30 20 BCED C=CCN1CCC(NC(=O)C(C)(C)CN)CC1 236602221 VXYNIHSQKHVDRD-UHFFFAOYSA-N 239.363 0.738 30 20 BCED CNC(=O)CCCC(=O)N[C@@H](C)CC#N 332484968 PHUXPMKCXRFLIG-QMMMGPOBSA-N 211.265 0.321 30 20 BCED CC[C@@H]1C[C@H](C(=O)N2CC(C)(C#N)C2)CC(=O)N1 335682563 YQKZFPGYWCXWDL-VHSXEESVSA-N 249.314 0.663 30 20 BCED N#Cc1ccnc(NCCCOCCO)c1 230768803 DZYRRDFSZRSVOO-UHFFFAOYSA-N 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226.276 0.764 30 20 BCED C=C(CC)C(=O)NC1CC(NS(C)(=O)=O)C1 1263819902 GECDRQBQSGZOPI-UHFFFAOYSA-N 246.332 0.149 30 20 BCED CC(=O)N1CC[C@H](CN(C)C[C@H](O)CC#N)C1 1307587653 PHKOMGWNKBCUHV-VXGBXAGGSA-N 239.319 0.061 30 20 BCED C#CCOCCN(C)Cc1cn2cccnc2n1 1319773601 IDUMWYRVYFRQNC-UHFFFAOYSA-N 244.298 0.811 30 20 BCED C[C@@H](C#N)OCCn1ccc(=O)c([N+](=O)[O-])c1 1321285945 AQRUBNVCSKFHRM-QMMMGPOBSA-N 237.215 0.685 30 20 BCED CC(=NN(C)[C@@H](C)CO)c1ccncn1 1326204117 MVQSWQGRZICBPN-QMMMGPOBSA-N 208.265 0.513 30 20 BCED N#C[C@@]1(F)CCN(C(=O)c2cccc(O)n2)C1 1327886011 NHJFBUIMGQJYMT-NSHDSACASA-N 235.218 0.865 30 20 BCED O=C(C#CC1CC1)N1CCc2c(O)ncnc2C1 1329065799 INVNLJUXHYYPBZ-UHFFFAOYSA-N 243.266 0.480 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)OCc1nc[nH]n1 1329456090 VOPHPAOFBVNZSU-SFYZADRCSA-N 223.232 0.439 30 20 BCED Cc1nnsc1CN1CC(O)(CC#N)C1 1330503865 QSWUDSOHHHXCDE-UHFFFAOYSA-N 224.289 0.307 30 20 BCED C=CC[C@H](NC(=O)Cn1ccc(C)n1)C(=O)O 1334188515 QMNXFAPEPBLWDG-VIFPVBQESA-N 237.259 0.337 30 20 BCED C=C(C)Cn1nnnc1N1C[C@@H]2C[C@H]2C1 1335342108 VITCLIXGAGAOBO-IUCAKERBSA-N 205.265 0.705 30 20 BCED N#CC1(CNC2CCN(C=O)CC2)CCC1 1335498205 APRQNWMPGRPGMQ-UHFFFAOYSA-N 221.304 0.891 30 20 BCED CC[C@H](NC[C@@H](C#N)CCC#N)C(=O)NC 1335986217 KOJODHRKEZMMMH-ZJUUUORDSA-N 222.292 0.544 30 20 BCED C=C(C)CCC(=O)N1CCN(C)C[C@H]1CO 1336029630 TWYRMIQRXYKCKV-NSHDSACASA-N 226.320 0.478 30 20 BCED Cn1c(=O)[nH]c(NCC2CCC2)c(C#N)c1=O 1336469856 CUMDFGQPUDUPND-UHFFFAOYSA-N 234.259 0.157 30 20 BCED O=C(N[C@H]1CCCN(O)C1=O)c1ccns1 1337289027 JNPVWVDYDOJGMU-LURJTMIESA-N 241.272 0.253 30 20 BCED C=CCCC[C@H](N)C(=O)NC[C@@H](C)NCC 1340147383 JHABKMGVEBWGQS-MNOVXSKESA-N 227.352 0.784 30 20 BCED N#C[C@H]1CNC[C@@H]1NC(=O)Cc1ccc(O)cc1 1340268135 YSOWTUCINZAFAI-JQWIXIFHSA-N 245.282 0.162 30 20 BCED C#CCNCC(=O)N1CCCC[C@H]1[C@@H]1CCNC1 1340326798 GNEKVXXIYBRSKA-OLZOCXBDSA-N 249.358 0.200 30 20 BCED C=CCNC(=O)[C@H](C#N)C(=O)/C=C/COC 1341955039 NWBVZKJDFDFTAU-XNPJLODASA-N 222.244 0.200 30 20 BCED 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245.278 0.410 30 20 BCED C[C@@H]1CN(CCC#N)CCN1CCC#N 32156569 ZATQOFPNGHHVOO-LLVKDONJSA-N 206.293 0.820 30 20 BCED C#C[C@H](C)N(C)CC(=O)NC(=O)NCCCC 491633331 PUYGZAYNPBBBDB-JTQLQIEISA-N 239.319 0.566 30 20 BCED N#Cc1ccncc1NC[C@@H]1COCCO1 131112284 SWNFOLBDUDQHJL-SNVBAGLBSA-N 219.244 0.781 30 20 BCED CN(/C(N)=N/CC(F)(F)CO)C1CC1 184823681 DYGSFSPCNPGFAG-UHFFFAOYSA-N 207.224 0.023 30 20 BCED CS[C@H](C)CNC(=O)N1CCO[C@H](C#N)C1 133802012 QSGSIROFUHMUPK-RKDXNWHRSA-N 243.332 0.672 30 20 BCED C=C(C)CS(=O)(=O)N1CCC[C@H](C(N)=O)C1 188243395 PTVSLISJDNMJIF-VIFPVBQESA-N 246.332 0.090 30 20 BCED COCCN(CC(C)C)S(=O)(=O)[C@@H](C)C#N 88477271 MQVBKASFUMVISO-JTQLQIEISA-N 248.348 0.833 30 20 BCED C[C@@H]1C[C@H](/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)CCO1 329970588 VBMLXARQOVTYMR-APLZJWDSSA-N 240.303 0.702 30 20 BCED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CCO1 176015948 MCQUIDVTXSVURM-GMTAPVOTSA-N 220.272 0.783 30 20 BCED C=CCN(CC(=O)OCC)C(=O)OCCOC 380083501 FELCJGXRRCGANE-UHFFFAOYSA-N 245.275 0.821 30 20 BCED CCOCCN(C)c1ncncc1C#N 380014439 MSMXGNIASHRYJR-UHFFFAOYSA-N 206.249 0.821 30 20 BCED CCO[C@H]1C[C@@H]1Nc1cnc(C#N)cn1 380026830 YTXZZZJLMNLRRO-IUCAKERBSA-N 204.233 0.938 30 20 BCED C=C1CCN(CCC(=O)NC(=O)NC)CC1 264463702 LBHPMWMTCKOJLQ-UHFFFAOYSA-N 225.292 0.484 30 20 BCED C#CCCN1CCN(C(=O)c2ncoc2C)CC1 263793921 JIYGXXRAOONWFL-UHFFFAOYSA-N 247.298 0.764 30 20 BCED COC[C@H]1CCCN1S(=O)(=O)[C@H](C)C#N 528534268 PSAGMCSWIFJSAJ-RKDXNWHRSA-N 232.305 0.339 30 20 BCED C[C@H](CCN(C)C)NC(=O)NCCC#N 426438110 RGPYAFMIROSACA-SECBINFHSA-N 212.297 0.539 30 20 BCED C=CCCCCNC(=O)C(=O)NCCC(=O)O 420601067 PITFXZMJTYAWJA-UHFFFAOYSA-N 242.275 0.050 30 20 BCED C[C@H](CC#N)NC(=O)CN(C)[C@H]1CCSC1 330550472 XEHZFBFAKAFFMF-ZJUUUORDSA-N 241.360 0.842 30 20 BCED C=CCC(CC=C)C(=O)NC[C@@H]1CNCCO1 423996905 XQXXJLQYMFEJLA-LBPRGKRZSA-N 238.331 0.859 30 20 BCED CC1CC(C#N)(C(=O)N2CC[C@@H](C(N)=O)C2)C1 229615110 FUTFGQQLJXVXEQ-NBBOBHDQSA-N 235.287 0.260 30 20 BCED C#CCCCC(=O)NC[C@@H]1CCN(C)C1 191958009 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30 20 BCED C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](C)C#N 331770391 MWYWQWPLJKSIDW-YWVKMMECSA-N 221.304 0.745 30 20 BCED C=CCC[C@@H](O)CN1CCO[C@@H](CO)C1 330995160 ICVYCNLYBAFRNP-GHMZBOCLSA-N 215.293 0.007 30 20 BCED CCCN(CC#N)C(=O)c1c(C)nn(C)c1N 339814861 DTJBPOLPFKTYAQ-UHFFFAOYSA-N 235.291 0.687 30 20 BCED C=C(C)CS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 331459639 UZSGWSMJUPGIHB-DCAQKATOSA-N 245.344 0.595 30 20 BCED CC#CCN(C)C(=O)[C@@H]1C[C@@]12CCOC2 335125573 ZFDROKZECOBGEK-CMPLNLGQSA-N 207.273 0.895 30 20 BCED C=CCOCC(=O)NCCc1ccncc1 339146485 QMONTZZJJLCHRM-UHFFFAOYSA-N 220.272 0.943 30 20 BCED CC[C@](C)(C#N)NC(=O)Cn1ccccc1=O 522890884 XXPFLHUNJXKQDW-GFCCVEGCSA-N 233.271 0.657 30 20 BCED N#C[C@@H]1COCCN1S(=O)(=O)CC1CCC1 93002632 IOMCOUWLRVWHTG-SNVBAGLBSA-N 244.316 0.341 30 20 BCED Cc1cnc(N2CCO[C@@H](C#N)C2)nc1 93933143 YKDOUNJVDMNCRT-VIFPVBQESA-N 204.233 0.514 30 20 BCED CCCNC(=O)CCC(=O)NC[C@H](C)C#N 520358453 GOJWLRPHFCIRGH-SECBINFHSA-N 225.292 0.569 30 20 BCED CN(C[C@H](O)CO)c1c(C#N)cccc1C#N 436419703 ZOFNEATUVVGFHN-NSHDSACASA-N 231.255 0.219 30 20 BCED C#C[C@H](C)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 248845695 TXMCKTBFMUSRFS-GUBZILKMSA-N 228.317 0.327 30 20 BCED CCOCC(=O)N=c1cc[nH]cc1C#N 344422565 HNEIZWRKJIFOPU-UHFFFAOYSA-N 205.217 0.350 30 20 BCED COC(=O)c1cccc(C(=O)NC[C@@H](C)C#N)n1 609524231 XNNUHTFVDXXWQM-QMMMGPOBSA-N 247.254 0.758 30 20 BCED COc1cccnc1C(=O)N1CC(C#N)C1 601598122 JLYAWSGVGDUSRV-UHFFFAOYSA-N 217.228 0.686 30 20 BCED Cc1nn(C)c2c1N(C(=O)CC#N)CCO2 601308981 IPOXBTYCRZRMPJ-UHFFFAOYSA-N 220.232 0.368 30 20 BCED CC[C@H](NC(C)=O)C(=O)N(CC)[C@H](C)C#N 601669769 ILSKJHGQASBXGO-SCZZXKLOSA-N 225.292 0.662 30 20 BCED C[C@@H](C#N)C(=O)N(C)Cc1nnc2ccccn12 609620100 IYGBCJAPCUOJNK-VIFPVBQESA-N 243.270 0.847 30 20 BCED CCCOCC(=O)N[C@@](C)(C#N)CCOC 344912129 VNHYCDTURUVIIX-LLVKDONJSA-N 228.292 0.848 30 20 BCED C=C[C@@H](Nc1cnn(CCF)c1)C(=O)OC 600611109 MBDOCQUQYQCRMA-SECBINFHSA-N 227.239 0.992 30 20 BCED C=C[C@H](C)NC(=O)C(=O)Nc1c(C)noc1C 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221.304 0.891 30 20 BCED C[C@H]1C(=O)NCCN1CC1(C#N)CCC1 336195324 FKLQIABTOGCZTG-VIFPVBQESA-N 207.277 0.501 30 20 BCED C[C@@](O)(CNc1cc(C#N)ncn1)C(F)(F)F 555803945 SWUIGWVAGHSQPG-MRVPVSSYSA-N 246.192 1.073 30 20 BCED CC#CCNCc1cn(CC2CC2)nn1 656464166 MGHVRHBAZKAROQ-UHFFFAOYSA-N 204.277 0.801 30 20 BCED C=C[C@H](CO)NC(=O)c1nc(CC)oc1C 356868416 BGMLFTGSPXTHMM-MRVPVSSYSA-N 224.260 0.822 30 20 BCED Cc1cc(=O)c(C(=O)N2CCOC[C@@H]2C#N)c[nH]1 703944729 LROKQWJDKVJWIA-VIFPVBQESA-N 247.254 0.048 30 20 BCED C#CCNC(=O)CCNC[C@H]1CCCC[C@@H]1O 491484616 JVBKXLQUHZLPPK-NEPJUHHUSA-N 238.331 0.267 30 20 BCED C#CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CC1 491667729 YHHFTWDUDLIMNZ-SECBINFHSA-N 241.312 0.045 30 20 BCED CN(CC#N)C(=O)[C@@H]1CCCN1C(=O)C1CC1 592757159 JKJLFBWWPYXCFD-JTQLQIEISA-N 235.287 0.369 30 20 BCED C[C@H]1CCN(c2cc(C#N)cnn2)C[C@H]1CO 598636863 ICEVNAGXOBGJIS-ONGXEEELSA-N 232.287 0.803 30 20 BCED C#C[C@H](CCC)NC(=O)N1CCC[C@@H](O)C1 820631271 WXXJBUPBBNBJQB-GHMZBOCLSA-N 224.304 0.955 30 20 BCED 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LHNMDVSAHRTALL-ZCFIWIBFSA-N 229.261 0.961 30 20 BCED C=C(CN(C)C)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 818621212 NUUIUVGRDBJVRF-TXEJJXNPSA-N 239.363 0.655 30 20 BCED CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc[nH]n1 814886040 PMCUKHCTKOSCIX-PHIMTYICSA-N 246.318 0.994 30 20 BCED C=CCCNC(=O)N[C@H](C)c1nncn1C 656543112 XILNIZPWSYCJAK-MRVPVSSYSA-N 223.280 0.751 30 20 BCED COC(=O)c1ccc(NCC#CCO)c(C#N)n1 572662312 HWBOJNSJFUAZHF-UHFFFAOYSA-N 245.238 0.147 30 20 BCED CO[C@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1OC 487970832 IVAMFGVFNXYIPM-UTUOFQBUSA-N 237.303 0.776 30 20 BCED Cn1nncc1COC(=O)c1cnccc1C#N 811224708 RPDJLAOFKYEUEI-UHFFFAOYSA-N 243.226 0.439 30 20 BCED C#CCN(CC#N)C(=O)[C@](C)(O)C1CCC1 813560156 UNKFZWDRMBPSTM-GFCCVEGCSA-N 220.272 0.523 30 20 BCED CON=CC(=O)N1CC[C@@H](N(C)C)[C@@H]1C 816766685 DOXFNKBMDWLHLE-DTWKUNHWSA-N 213.281 0.170 30 20 BCED C=C[C@H](CO)N[C@H](C)Cc1cnccn1 658334681 RTCNURFLFNHYTD-NXEZZACHSA-N 207.277 0.544 30 20 BCED O=C1CSc2cc(C(=O)NO)ccc2N1 810044388 WZQOCQBFHJYTJM-UHFFFAOYSA-N 224.241 0.850 30 20 BCED C=CCNN=C1CCN(CC(C)(C)O)CC1 814229207 LQMSOYYAAILIQI-UHFFFAOYSA-N 225.336 0.985 30 20 BCED CC#CCN(C)C(=O)c1ccc2nnnn2c1 579753858 RBGWBITWTICPIK-UHFFFAOYSA-N 229.243 0.220 30 20 BCED C#CCN(CC)C(=O)NCC1CCNCC1 491626747 LTLJFFQQCSTPNB-UHFFFAOYSA-N 223.320 0.651 30 20 BCED C#CCN(CC)C(=O)C1(C(=O)NC2CC2)CCC1 490618532 WWDHZUNRERPSGF-UHFFFAOYSA-N 248.326 0.917 30 20 BCED C#CCO[C@H](C)C(=O)N[C@@H](C)CC(=O)OCC 826937346 HKIBESBGDNXXKV-VHSXEESVSA-N 241.287 0.483 30 20 BCED C#C[C@H](NC(=O)c1ccc2nn[nH]c2n1)C(C)C 491405849 LACLUMSXLFNFHR-QMMMGPOBSA-N 243.270 0.741 30 20 BCED C=C[C@H](O)C(=O)N(C)Cc1nccn1C(F)F 665990281 DURLHMZWDZSUEE-ZETCQYMHSA-N 245.229 0.784 30 20 BCED C#CCN(C)C(=O)c1cnc2nccnc2c1 491629223 PFZQUANYEZMUDR-UHFFFAOYSA-N 226.239 0.730 30 20 BCED C#C[C@H](NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)C(C)C 907968582 YMMJJNUJEMYDQA-GAIPPQHRSA-N 219.284 0.986 30 20 BCED C#CCN(CC)C(=O)Cc1nc2ncccn2n1 490555961 OIWDRHGGFVRSKQ-UHFFFAOYSA-N 243.270 0.149 30 20 BCED C#CCN(C)CCC(=O)N1CCC[C@@H]1C 491286985 KBNPHCMTRZKRHF-NSHDSACASA-N 208.305 0.952 30 20 BCED C=C[C@H](O)C(=O)N[C@](C)(CC(=O)O)C(C)C 909689365 TZRNPSGGPFVOMC-GZMMTYOYSA-N 229.276 0.539 30 20 BCED C=C[C@H](C)ONC(=O)[C@]1(C)CCNC1=O 824232500 JNUFUNODARAJOT-OIBJUYFYSA-N 212.249 0.135 30 20 BCED N#CC1(C(=O)Nc2cnn(CC(=O)O)c2)CCC1 739066227 IUUMDUAQGPRELA-UHFFFAOYSA-N 248.242 0.600 30 20 BCED C#C[C@@H](CCC)NC(=O)CN1CCCNC1=O 491554000 FOJLSQUUEQEEKE-JTQLQIEISA-N 237.303 0.320 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@H](COCC)C1 668749407 NCKGLCTUOUVTOW-QWRGUYRKSA-N 227.304 0.808 30 20 BCED C#C[C@@H](CC)NC(=O)c1cnnn1CC 491764915 CHYMONRCUXWBGR-QMMMGPOBSA-N 206.249 0.440 30 20 BCED N#CCN(CC#N)C(=O)/C=C/C1CCOCC1 491866502 LHFLLQLVWXNEQV-OWOJBTEDSA-N 233.271 0.845 30 20 BCED C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCN1C=O 823235068 VYCIKBWKUCHCKR-VHSXEESVSA-N 223.276 0.225 30 20 BCED C#C[C@H](CC)NC(=O)C1(C(=O)OC)CC1 491406942 PHWJYWVDCPKCTE-MRVPVSSYSA-N 209.245 0.468 30 20 BCED N#Cc1cncc(NC[C@H](O)COCC2CC2)n1 582357536 ZPNGDACLVHHNGM-NSHDSACASA-N 248.286 0.548 30 20 BCED CCO[C@@H]1C[C@H](NC(=O)C#CC2CC2)[C@@H]1OC 837532830 ZEYWHRISVCULBH-LOWVWBTDSA-N 237.299 0.708 30 20 BCED C#CCNC(=O)C1CCN(CC[C@H](C)O)CC1 491408790 WVGOSDHOOMKPPB-NSHDSACASA-N 238.331 0.219 30 20 BCED C=C[C@@](C)(O)C(=O)NCCc1ccnn1C 832206322 CEMQILLSKMQPPY-LLVKDONJSA-N 223.276 0.016 30 20 BCED C#C[C@H](CCC)NC(=O)CNC(=O)OC 491724192 DZVMGVVPCRNCIG-MRVPVSSYSA-N 212.249 0.261 30 20 BCED CCNC(=O)C[C@H](C)OC(=O)c1ccc(C#N)[nH]1 836002187 GPIIDHHVHKLUHB-QMMMGPOBSA-N 249.270 0.958 30 20 BCED C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCNC1 663010658 KJMFZZARPMPFAQ-JQWIXIFHSA-N 226.320 0.836 30 20 BCED C=CCONC(=O)N[C@]1(CCOC)CCOC1 838709476 AAUCSCAMJOMIAN-LLVKDONJSA-N 244.291 0.599 30 20 BCED C=CCOCCNC(=O)[C@H](C)c1cnccn1 907272056 XDVSLENBNLIDGW-SNVBAGLBSA-N 235.287 0.899 30 20 BCED COC(=O)c1ccc(C=NN[C@@H](C)CO)nc1 901195611 WAWLTOFNFZLTLQ-QMMMGPOBSA-N 237.259 0.173 30 20 BCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 834307828 LSBRPZKCXJAYGJ-SDDRHHMPSA-N 236.315 0.187 30 20 BCED CC(C)C#CC(=O)N[C@H](CO)CN1CCCC1 908201235 CLTXIEGRVRNPTK-LBPRGKRZSA-N 238.331 0.219 30 20 BCED C=C(CO)C(=O)N1CCN([C@H](C)CC)CC1 837005985 YCGNATRQGSGBLK-LLVKDONJSA-N 226.320 0.478 30 20 BCED CC(=O)NCCCOC(=O)c1cc(C#N)[nH]c1C 835137318 LTCQEEUCKCCNLB-UHFFFAOYSA-N 249.270 0.878 30 20 BCED C=CCNC(=O)CNc1cc2c(nn1)CCC2 679005334 NBWMJPNYWSVBNM-UHFFFAOYSA-N 232.287 0.679 30 20 BCED CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1O 837589168 VSAMHFJBRZLBMV-JTQLQIEISA-N 207.273 0.629 30 20 BCED C=C(C)CN(C)[C@@H](C)C(=O)NCC(=O)O 833368788 URXXBYQQPCBXIU-QMMMGPOBSA-N 214.265 0.084 30 20 BCED C#C[C@@H](CCC)NC(=O)N[C@@H](CC)C(=O)NC 836422999 OAEVMLPPMCBRGZ-UWVGGRQHSA-N 239.319 0.612 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)c1cnc(S)[nH]1 834126631 BOMPZHABDBMCNN-SVRRBLITSA-N 239.300 0.772 30 20 BCED C#CC(C)(C)NC(=O)CSc1nncn1C 733978468 BBVNGHYHZWBGNA-UHFFFAOYSA-N 238.316 0.435 30 20 BCED C=C(CN(C)C)C(=O)N1CC[C@@H](C)[C@H]1CO 830708924 YSQMNCMFCQBTGO-MWLCHTKSSA-N 226.320 0.334 30 20 BCED CC(C)N(C)C(=O)CN(C)C[C@@H](C)C#N 42461044 JQWIEWUCPFYOTE-JTQLQIEISA-N 211.309 0.945 30 20 BCED CO[C@H](C)CCC(=O)N[C@@H]1CNC[C@@H]1C#N 834500337 SENPHXQEOLARSK-KXUCPTDWSA-N 225.292 0.029 30 20 BCED N#Cc1cccc(C(=O)N2CCCCN2)n1 597643987 XATRVZFQBSGAQB-UHFFFAOYSA-N 216.244 0.694 30 20 BCED CN(C)C1CN(c2c(C#N)cnn2C)C1 596179713 PCNMSNQCKLEYSA-UHFFFAOYSA-N 205.265 0.042 30 20 BCED C=CCOCC(=O)NCC(=O)NC1CCCC1 591167117 LLUCEFGLTOMFAZ-UHFFFAOYSA-N 240.303 0.364 30 20 BCED C=CCNC(=O)NCc1cc(C)ncn1 677413995 MJQUHMMDPCOOMO-UHFFFAOYSA-N 206.249 0.770 30 20 BCED CC[C@H](C#N)C(=O)NCCNC(=O)c1ccco1 593395865 BTOULINEXNDTBP-SECBINFHSA-N 249.270 0.675 30 20 BCED C=C[C@@H](C)ONC(=O)NC[C@@](C)(O)CN(C)C 845627032 MSYADYRPUUOXIW-MWLCHTKSSA-N 245.323 0.104 30 20 BCED C=CCN(C(=O)OC)[C@H]1CCS(=O)(=O)C1 919988746 DFDKYNRNUDRXLL-QMMMGPOBSA-N 233.289 0.428 30 20 BCED CC(C)(C#N)C[C@@H](O)Cn1cncc(F)c1=O 598703582 BIXCVOHVDCTTEO-MRVPVSSYSA-N 239.250 0.683 30 20 BCED COC[C@H]1C[C@@H](O)CN1C(=O)CC(C)(C)C#N 593813797 GDTHSJXEKNDFKK-NXEZZACHSA-N 240.303 0.534 30 20 BCED C#C[C@H](NC[C@H]1CCCN1C)[C@@H]1CCCO1 844323209 UHGOTXICARRHHH-AGIUHOORSA-N 222.332 0.851 30 20 BCED CCN(CC#N)CC(=O)N1CCO[C@@H](C)C1 749441093 QMUGFFJCPJZBPI-JTQLQIEISA-N 225.292 0.079 30 20 BCED Cc1nc(C)c(C(=O)NC[C@H](C)C#N)[nH]1 598689304 KGWITGSTJKGANG-ZCFIWIBFSA-N 206.249 0.916 30 20 BCED CN(C)C[C@](C)(C#N)NC(=O)c1nccs1 593153000 CHGGKVMVSLTAFU-JTQLQIEISA-N 238.316 0.717 30 20 BCED C#CCNC(=O)Cn1nc(C2CC2)nc1C1CC1 746567566 ZYRJUZADPPSYAY-UHFFFAOYSA-N 244.298 0.782 30 20 BCED C=CCOC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O 745700324 YSOINNMSZNNZRL-DTWKUNHWSA-N 243.303 0.627 30 20 BCED CC[C@@](C)(OC)C(=O)N[C@@H]1CCCN(O)C1=O 848131604 ANROKGKJIYQDPE-LDYMZIIASA-N 244.291 0.298 30 20 BCED O=C1CN(N=Cc2cccc(F)c2)C(=O)N1 744807030 HFSXKAXCEHAIEN-UHFFFAOYSA-N 221.191 0.711 30 20 BCED C=C[C@H](C)ONC(=O)NC[C@@H](C)OC 845621029 CECJOTFIWPQABF-JGVFFNPUSA-N 202.254 0.827 30 20 BCED CC(C)(CC#N)CNC(=O)N[C@@]1(C)CCNC1 597433480 NFCPYYYDZPXTOE-LBPRGKRZSA-N 238.335 0.977 30 20 BCED C=C(C)CONC(=O)CNc1ccc(C#N)cn1 846536177 WOXOCUZQNTUTOT-UHFFFAOYSA-N 246.270 0.989 30 20 BCED CC(C)[C@@H](C#N)NC(=O)C[C@H]1CCC(=O)N1C 597188200 MEZNTLBAZNNGID-NXEZZACHSA-N 237.303 0.662 30 20 BCED N#CCCN[C@@H]1CCCc2c1cnn2CCO 592429459 KXKJLAPSJYAUFP-LLVKDONJSA-N 234.303 0.756 30 20 BCED CCOC(=O)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 748296989 SGSNGRWTTKSLNI-ZETCQYMHSA-N 235.243 0.568 30 20 BCED C[C@@H](C#N)C(=O)NCc1nnn(C(C)(C)C)n1 594398338 QYUMOYSEVXYJLG-ZETCQYMHSA-N 236.279 0.204 30 20 BCED N#Cc1ccc(N[C@@H]2COC(=O)C2)nn1 848708744 DXUGYZIUPHDUNE-ZETCQYMHSA-N 204.189 0.076 30 20 BCED C=C[C@H](C)ONC(=O)C[C@H]1SC(=N)NC1=O 846551814 YAOMJLDGTZPLIL-NTSWFWBYSA-N 243.288 0.165 30 20 BCED C#CCCCCNC(=O)[C@@H]1CC[C@H]1C(N)=O 847566811 CDXDBXPZYFZSCE-NXEZZACHSA-N 222.288 0.418 30 20 BCED C#CC[C@H]1NC(=O)N(C/C=C/CC)C1=O 842253322 KUGLILAKWROZGM-VUHVRTRXSA-N 206.245 0.896 30 20 BCED CCn1ncc(C=NNc2nccnc2OC)n1 841631089 CSXFVUGYTZCNOP-UHFFFAOYSA-N 247.262 0.543 30 20 BCED C#CC[C@@H]1NC(=O)N([C@@H]2CCO[C@H](C)C2)C1=O 927527429 AYVZXAKQYJBTAT-BBBLOLIVSA-N 236.271 0.498 30 20 BCED C=C[C@@H](C)NC(=O)N[C@H]1CCCN(CC)C1=O 925972443 GPSFXQTWDCUWKC-ZJUUUORDSA-N 239.319 0.871 30 20 BCED CON=CC(=O)NCc1c(C2CC2)cnn1C 855790662 CJYUEHHDLQDGGU-UHFFFAOYSA-N 236.275 0.546 30 20 BCED CC(C)(CC#N)CNC(=O)N[C@H]1C[C@H](CO)C1 922843369 QREANONTNWTYFC-MGCOHNPYSA-N 239.319 0.996 30 20 BCED C#CCN(C(=O)[C@@H](O)c1ccccn1)C(C)C 928624499 IGKZLFHPIYIBBX-LBPRGKRZSA-N 232.283 0.985 30 20 BCED C=C[C@H](C)ONC(=O)c1cc(O)n(C)n1 855026408 DLEJGILFUHXFOS-LURJTMIESA-N 211.221 0.362 30 20 BCED C#C[C@H](NC(=O)C1(n2cnnn2)CC1)C(C)(C)C 854479061 FVDGAEXNAQMZQI-VIFPVBQESA-N 247.302 0.326 30 20 BCED C#CC[C@@H](CO)NC(=O)C1(SC)CCC1 854543513 XFCSKYYRFDDDJK-VIFPVBQESA-N 227.329 0.773 30 20 BCED C#CC[C@H](CO)NC(=O)C[C@@H](C)c1cnn(C)c1 854549727 QXSRVHOWRRVSMO-ZYHUDNBSSA-N 249.314 0.414 30 20 BCED C#CCCOC(=O)N1CCC[C@H]1C(N)=O 859321623 NIKMDUQMIKGBIO-QMMMGPOBSA-N 210.233 0.096 30 20 BCED C#CC[C@@H](CO)NC(=O)[C@@H](C)C(F)(F)F 854545868 RRFCXFGCBTUFPA-RQJHMYQMSA-N 223.194 0.685 30 20 BCED C=C(CO)C(=O)NC1(COC)CCCC1 855217628 CBHQODVXDUPGBW-UHFFFAOYSA-N 213.277 0.610 30 20 BCED C#CC[C@H](CO)NC(=O)[C@H](CCC)OC 854540426 BKMMUDWQPBKEPN-ZJUUUORDSA-N 213.277 0.302 30 20 BCED C[C@H](O)[C@@H](O)CN(CCC#N)Cc1ccco1 929774502 PVKLAIXGTQEQIB-JQWIXIFHSA-N 238.287 0.737 30 20 BCED C#CCOCCNC1(CC(=O)OC)CCC1 851908011 JKECNAQMGYUBAT-UHFFFAOYSA-N 225.288 0.712 30 20 BCED Cn1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cn1 753935345 NRSHONWQTSVOPR-QWRGUYRKSA-N 246.318 0.614 30 20 BCED C#CCOCCNC(=O)[C@H]1CCC=CO1 753229294 ARDUNQFTNXDXGH-SNVBAGLBSA-N 209.245 0.445 30 20 BCED C#CCCOC(=O)NCCCNC(C)=O 858889808 CAYSUCAPGCBHTM-UHFFFAOYSA-N 212.249 0.262 30 20 BCED C#C[C@H](CC)NC(=O)c1ccc(C(N)=O)[nH]1 857190860 DYDZKSIULRZFSY-SSDOTTSWSA-N 219.244 0.255 30 20 BCED C#C[C@H](CC)NC(=O)N(C)CCOCCO 854076733 BNRLPMGTTWSQTG-SNVBAGLBSA-N 228.292 0.049 30 20 BCED C[C@@H](C#N)OC(=O)c1cc(C(N)=O)c[nH]1 750418407 XJGVSZWZAFLOPV-YFKPBYRVSA-N 207.189 0.182 30 20 BCED C#CCCCNC(=O)C(=O)Nc1cnn(CC)c1 757273636 USUVDAYAZKONDT-UHFFFAOYSA-N 248.286 0.371 30 20 BCED CCCOCC(=O)NCC1CC(NCC#N)C1 1100162881 IRDIOWSLNBVHPG-UHFFFAOYSA-N 239.319 0.421 30 20 BCED C#CCNC1CC(CNC(=O)C#CC(C)C)C1 1100309512 YSHJWDBNPMODEN-UHFFFAOYSA-N 232.327 0.763 30 20 BCED CC(=O)[C@@H](C)OC(=O)C1(C#N)CCOCC1 767402442 UURDARAYHFUHGV-SECBINFHSA-N 225.244 0.827 30 20 BCED C#CC1(O)CN(C[C@@H](O)Cc2ccc(F)cc2)C1 934449584 FFDUEQABRDIBNS-ZDUSSCGKSA-N 249.285 0.409 30 20 BCED C#CCOCCN1[C@@H](C)[C@@H](C)NC(=O)[C@H]1C 930841431 FXKMGUHNBRSWMB-OUAUKWLOSA-N 224.304 0.234 30 20 BCED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCOCC1 1032245871 YTMDUBDXGGTUNA-RYUDHWBXSA-N 249.314 0.222 30 20 BCED Cc1cc(C=NNS(C)(=O)=O)ccc1C#N 766454074 UPQZHFNQQOROBB-UHFFFAOYSA-N 237.284 0.750 30 20 BCED C#CCNC(=S)NCCC1CC(O)C1 761558520 RFWJRBINQKUSAI-UHFFFAOYSA-N 212.318 0.245 30 20 BCED C#CCNC(=S)N(C)CC1(C)COC1 863215622 GQFNYLALHLRDIB-UHFFFAOYSA-N 212.318 0.462 30 20 BCED C#CC[C@H](CCOC)NC(=O)[C@@H](C)NC(C)=O 863792867 MTFBVKAWAKFYOP-MWLCHTKSSA-N 240.303 0.056 30 20 BCED C#CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 1038719045 IDYUQTOXHSWASK-GRYCIOLGSA-N 236.315 0.378 30 20 BCED C#C[C@H](C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 860947124 DLDWUTUDJKJIIC-DJLDLDEBSA-N 208.261 0.039 30 20 BCED C#C[C@@H](C)NS(=O)(=O)CC1(N(C)C)CC1 867199204 WVNDSBCOCXCKFV-SECBINFHSA-N 230.333 0.022 30 20 BCED N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CCC1 1037290956 PPUPEEXZGKBVQB-OUAUKWLOSA-N 219.288 0.499 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1conc1C 860431206 JXPDAFBGBURAAC-QMMMGPOBSA-N 236.227 0.278 30 20 BCED C=CCC[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(N)=O)O1 860413052 AKAYVNPMHLDMDG-BBBLOLIVSA-N 241.287 0.917 30 20 BCED C#C[C@H](C)N(C)CC(=O)Nc1ccon1 769976170 UQFQSAQAYZYYBV-QMMMGPOBSA-N 207.233 0.567 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1 1118099824 QAMXAJXLMZWOEB-DTWKUNHWSA-N 233.275 0.546 30 20 BCED CN(C)C(=O)c1ccc(C=NN2CCCC2=O)[nH]1 769589055 MLZWPTUQWSEVJJ-UHFFFAOYSA-N 248.286 0.673 30 20 BCED C=CCN1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 943673128 BDGHDXHNSUOSHL-VHSXEESVSA-N 249.318 0.431 30 20 BCED C#CCN1C[C@H]2C(NC(=O)CCOCC)[C@@H]2C1 1114002978 RKYLROSXDBNQIN-GHMZBOCLSA-N 236.315 0.093 30 20 BCED CCN(c1nnnn1CCOC)[C@H](C)C#N 1119648301 TWRCHSMPAOIRIW-MRVPVSSYSA-N 224.268 0.058 30 20 BCED CC(=NNCCS(C)(=O)=O)[C@@H]1CCCOC1 779775620 GIGJRULELDGPIQ-SNVBAGLBSA-N 248.348 0.423 30 20 BCED CCCN(C)C(=O)N1CCO[C@@H](C#N)C1 772650222 LXJGDVXETMKYAV-VIFPVBQESA-N 211.265 0.673 30 20 BCED C#CCOCCC(=O)N1C[C@H]2COC[C@H]2C1 872316012 OVSHUDNYSGVOKJ-PHIMTYICSA-N 223.272 0.131 30 20 BCED C#CCN1NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 871962205 YTOYVJUAXVXMCT-UKKRHICBSA-N 230.267 0.321 30 20 BCED O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1N=CC1CC1 872423871 AWOGSLJJLFNSEN-IMSYWVGJSA-N 232.239 0.321 30 20 BCED C#CCOCCNC(=O)c1coc(C2CC2)n1 776905039 AAVYSMOBMNYPFC-UHFFFAOYSA-N 234.255 0.932 30 20 BCED C#C[C@@H](NC(=O)c1nonc1C)[C@H]1CCCO1 772888381 MTQJWUMBFKLPCT-RKDXNWHRSA-N 235.243 0.289 30 20 BCED CC[C@]1(C(=O)N[C@@H](C#N)C(C)C)CCNC1=O 875557384 DILGWYDHONXIDC-CABZTGNLSA-N 237.303 0.567 30 20 BCED CC(C)n1cc(C=NNC2=NC[C@@H](C)N2)cn1 779800856 QTELMDBVMXDOJG-SECBINFHSA-N 234.307 0.735 30 20 BCED C[C@@H](C#N)COC(=O)Cn1cc([N+](=O)[O-])cn1 770928618 HHFARHLMOIABJF-ZETCQYMHSA-N 238.203 0.494 30 20 BCED C=CCn1cc(C(=O)N2CC[C@@H](CF)C2)nn1 881677154 MYSJALMDLXMFFR-VIFPVBQESA-N 238.266 0.896 30 20 BCED C#C[C@@H](NCC(=O)NCCCC)[C@H]1CCCO1 775790991 KMEWVFJBGOVPNS-VXGBXAGGSA-N 238.331 0.673 30 20 BCED C#CCCNCCNC(=O)[C@@H]1CN2CCC1CC2 1127480810 MLKNUCJYPJAWCX-CYBMUJFWSA-N 249.358 0.057 30 20 BCED CCC(=NNC1=NC[C@H](C)N1)[C@@H]1CCOC1 779801393 SZJHGJKNKBOUQM-DTWKUNHWSA-N 224.308 0.726 30 20 BCED C#CCCOC(=O)N1[C@@H](C)[C@H](C)NC(=O)[C@H]1C 882314008 LATPJUWIPSPYEZ-LPEHRKFASA-N 238.287 0.744 30 20 BCED C#CC1(O)CN(C(=O)[C@H](C)OCC(C)C)C1 890521703 PTPVOQGWGBEKAA-JTQLQIEISA-N 225.288 0.254 30 20 BCED C=CCN(C)c1nnc(C[C@H](C)O)n1CC 1121823882 BLVQJQQBBICSTC-VIFPVBQESA-N 224.308 0.844 30 20 BCED C=CCCN(C)c1nnnn1Cc1ccn(C)n1 1120062568 KVQLPXDXDKWHPW-UHFFFAOYSA-N 247.306 0.467 30 20 BCED CCCNC(=O)COC(=O)CC(C)(C)C#N 785095467 BJNSRVGNOHUDFS-UHFFFAOYSA-N 226.276 0.996 30 20 BCED C=CCOCCN1CC[C@@H](C)[C@@H]1C(=O)O 385855554 VGSCMPPTTGEPJF-NXEZZACHSA-N 213.277 0.984 30 20 BCED C#C[C@@H](C)NC(=O)Cc1cnn(CC)c1 781035949 LCTRFVUQFZCXSF-SECBINFHSA-N 205.261 0.583 30 20 BCED C#CCSCC(=O)N1CCN(C(C)=O)CC1 895450675 AHWJXQLEBNEAIQ-UHFFFAOYSA-N 240.328 0.044 30 20 BCED CC#CC[C@@H](CO)N[C@@H](C)COC(C)=O 895132827 YRZVZWLKZSXPKC-ONGXEEELSA-N 213.277 0.302 30 20 BCED Cn1ccc(NC(=O)c2ccc(C#N)cn2)n1 104219424 STNBEALCSAVMTN-UHFFFAOYSA-N 227.227 0.939 30 20 BCED Cc1nccn1CC(=O)N1CCC(C#N)CC1 1583830145 MGFCJKRKMQVPPG-UHFFFAOYSA-N 232.287 0.954 30 20 BCED N=c1ncc(C=NOC[C@H]2CCOC2)c[nH]1 390290458 YMMSRYCFRSQURX-QMMMGPOBSA-N 222.248 0.276 30 20 BCED C#CCC(C)(C)C(=O)NCCC[C@@H]1C=NNC1=O 898738322 BMGAFCVUSASWPO-SNVBAGLBSA-N 249.314 0.664 30 20 BCED C=C[C@@H](COC)N=c1cc(C)nc(OC)[nH]1 390650135 OYVAEUZPENEXML-VIFPVBQESA-N 223.276 0.828 30 20 BCED C#CC[C@H](CO)NCc1cnn(C)c1C1CC1 895963407 HQTNWKZKUAFPEB-GFCCVEGCSA-N 233.315 0.771 30 20 BCED C#C[C@H](NC1CCS(=O)CC1)[C@H]1CCCO1 893677351 RWBHGYRMZFOSHW-LZUBYRBGSA-N 241.356 0.668 30 20 BCED C=CCN(CC(=O)O)C[C@@H]1CCCN1C 395326922 PUNLDPPRDMUDMZ-JTQLQIEISA-N 212.293 0.653 30 20 BCED CC(=O)NC(C)(C)COC(=O)CSCC#N 893433564 FWRDIPZLSLYHTE-UHFFFAOYSA-N 244.316 0.701 30 20 BCED C=CCCNCCNC(=O)c1cn(CC)nn1 1135998779 JAONNVGMHLDYGU-UHFFFAOYSA-N 237.307 0.194 30 20 BCED C[C@H](O)[C@@H]1CCCN(S(=O)(=O)[C@H](C)C#N)C1 515499934 JEVKVRBZPQSOJS-KXUCPTDWSA-N 246.332 0.321 30 20 BCED COC(=O)N1CCC([C@H](C)NCC#N)CC1 186385433 YRXSXNHKAICOMJ-VIFPVBQESA-N 225.292 0.966 30 20 BCED C#CCNCC1CCN(C(=O)[C@H](C)OC)CC1 1204641144 FZAHMSAXKAKZKA-NSHDSACASA-N 238.331 0.483 30 20 BCED C=C(CO)C(=O)NCCc1c(C)noc1C 791357666 QSBHIVBEIHNKIY-UHFFFAOYSA-N 224.260 0.499 30 20 BCED CC(C)[C@@H](F)C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1208353814 NUMBWSYUKUVLFU-GMTAPVOTSA-N 241.310 0.941 30 20 BCED COC(=O)C#Cc1ccccc1C(=O)O 585143877 RCEOLEQJLHFAGR-UHFFFAOYSA-N 204.181 0.909 30 20 BCED N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCO1 709405842 BMAABLUGIGPCGG-UWVGGRQHSA-N 225.292 0.303 30 20 BCED C=C[C@@H](NCCCCS(C)(=O)=O)C(=O)O 709599212 XAKJRTFYAKVBRF-MRVPVSSYSA-N 235.305 0.040 30 20 BCED C#CCCCS(=O)(=O)N(CC#C)CC#CC 710156146 FNYQQWUNRAFRJA-UHFFFAOYSA-N 237.324 0.688 30 20 BCED N#CCNCCNC(=O)Cc1ccc(F)cc1 1149610316 NMCQEHIOPZKJGI-UHFFFAOYSA-N 235.262 0.598 30 20 BCED C#CCCS(=O)(=O)N1CCC[C@@H](CO)C1 710937357 DUWSJINAIKMESN-SNVBAGLBSA-N 231.317 0.044 30 20 BCED C#CCCS(=O)(=O)NCc1nccn1CC 711159413 PYCJDODYLQFYRI-UHFFFAOYSA-N 241.316 0.346 30 20 BCED CC#CCNCCNC(=O)C(C)(C)c1cnc[nH]1 1147907944 MLJOAAMBWLIPIF-UHFFFAOYSA-N 248.330 0.416 30 20 BCED N#CCCN1CCN(Cc2cnns2)CC1 599336094 FZTYDZRUFOAZTM-UHFFFAOYSA-N 237.332 0.569 30 20 BCED COCCCON=C1CCN(C(N)=O)CC1 795043730 HNMYZYMTQMFDCA-UHFFFAOYSA-N 229.280 0.570 30 20 BCED CC(C)[C@H](C#N)N1CCN(CC[C@H](C)O)CC1 591845738 SNOMPFRBYOVCHI-STQMWFEESA-N 239.363 0.923 30 20 BCED Cc1ocnc1C(=O)N[C@@H]1CN(CC#N)C[C@H]1C 1079470673 XXMVNJGNFUHMTP-PSASIEDQSA-N 248.286 0.557 30 20 BCED C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 972138367 OBNDLVNVOYAALO-NDBYEHHHSA-N 248.326 0.045 30 20 BCED CC#CC[C@H](CO)N[C@H]1CCOC[C@H]1C 717795939 WJMOAEXZEKABNT-UTUOFQBUSA-N 211.305 0.775 30 20 BCED C#CC[C@@H](CO)NC(=O)C[C@H]1CCCO1 717794266 NOCGSXLLQDLUKM-VHSXEESVSA-N 211.261 0.056 30 20 BCED C#C[C@H](CO)NCc1ccc(C(=O)O)o1 718173100 PJHSPEODHOIXBE-SSDOTTSWSA-N 209.201 0.062 30 20 BCED C[C@@H]1C[C@H](CO)CN(c2ccc(C#N)c(N)n2)C1 594593084 UGDPSCVLSHYYSM-ZJUUUORDSA-N 246.314 0.990 30 20 BCED CC(C)C[C@H](CO)NS(=O)(=O)[C@H](C)C#N 83920036 IVBKBDGNIQCBQQ-RKDXNWHRSA-N 234.321 0.225 30 20 BCED N#CCN1CCN(C(=O)[C@@]23CCC[C@@H]2C3)CC1 693224782 CHFADUOATDTAEW-DGCLKSJQSA-N 233.315 0.844 30 20 BCED C=CCN1C[C@H](O)[C@H](NC(=O)CCC(=C)C)C1 1219715770 KVHCPWQVCRBHCV-NEPJUHHUSA-N 238.331 0.690 30 20 BCED C=CCCC(=O)N[C@@H]1CN(CC#N)C[C@H]1OC 1211996995 BMWPERWTGZFIME-GHMZBOCLSA-N 237.303 0.292 30 20 BCED CC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(CC#N)C[C@H]21 1089738535 GGMQHNDCQVUZDN-NDBYEHHHSA-N 233.315 0.699 30 20 BCED C=CCN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C)c2)C1 987980450 DPVAPMVNYGZPDQ-CMPLNLGQSA-N 248.330 0.799 30 20 BCED N#Cc1cnc(NCCn2cnnc2)c(F)c1 1158039688 OYVQHRZBLHBBRH-UHFFFAOYSA-N 232.222 0.796 30 20 BCED C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2)CCN1CC#N 1088584524 YQGBBNZLKOZCHY-KOLCDFICSA-N 232.287 0.731 30 20 BCED C#CCN1CC[C@H](NC(=O)Cn2cccn2)[C@H]1C 1088470079 SDTMYWSUNFYSQN-NEPJUHHUSA-N 246.314 0.095 30 20 BCED C=CCNCCNC(=O)C[C@H]1CCCOC1 1151271976 CETRCMKQUKXFJS-LLVKDONJSA-N 226.320 0.695 30 20 BCED CC(C)C(=O)NC[C@H](C)N=c1cc[nH]cc1C#N 1097671285 IVUCABFSGMEDOR-JTQLQIEISA-N 246.314 0.948 30 20 BCED C#CCNCCCNC(=O)c1ncccc1F 1169160074 PXWSSKRQIZXWPH-UHFFFAOYSA-N 235.262 0.563 30 20 BCED C=CCN1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1 1099813555 QJAFRJMCBDUCMB-OLZOCXBDSA-N 248.326 0.137 30 20 BCED CN(C(=O)Cn1cnc(C#N)n1)C1CC(C)(C)C1 1161244018 YVGCNXSTAFISSV-UHFFFAOYSA-N 247.302 0.797 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ncccn2)C1 1097003385 XTLJELAFPLDTDW-OPRDCNLKSA-N 245.286 0.695 30 20 BCED C#CCCN[C@H]1CCN(C(=O)c2cocn2)[C@H]1C 1178341738 LKIXIHVSNVCIMJ-QWRGUYRKSA-N 247.298 0.891 30 20 BCED C#CCN[C@H]1CCN(C(=O)CCOC)[C@H]1C 1177987201 XEPTYXDOQCPAIO-QWRGUYRKSA-N 224.304 0.235 30 20 BCED C[C@H](C#N)CN1NC(=O)C2(CCC2)CC1=O 1329632810 PDJVANKSHVJFSD-MRVPVSSYSA-N 221.260 0.580 30 20 BCED C[C@H](C#N)C(=O)NC1(c2nc[nH]n2)CCC1 1321583245 OKRXJHJIDXFSAT-SSDOTTSWSA-N 219.248 0.460 30 20 BCED Cc1cc(NC(=O)C(=O)NCCCC#N)n(C)n1 1320914785 BAVAUIOOZACIKS-UHFFFAOYSA-N 249.274 0.087 30 20 BCED N#CCCN(CC1CC1)C(=O)c1cnnc(O)c1 1329462218 SSWDAJMSNDKWAY-UHFFFAOYSA-N 246.270 0.948 30 20 BCED C=CC(C)(C)CC(=O)N[C@H](CO)COC(C)=O 1339411652 YKXXXCVIMJMNAM-SNVBAGLBSA-N 243.303 0.629 30 20 BCED C=CCn1c(C(N)=O)nnc1N1C[C@H](C)[C@@H](C)C1 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420844973 YAQQKXAIHZKSSY-UHFFFAOYSA-N 225.292 0.517 30 20 BCED C#CCCCNC(=O)CSCC(C)=O 192632314 NKSCHWAACYHQPR-UHFFFAOYSA-N 213.302 0.838 30 20 BCED CN1CC[C@H](N2CCC[C@](C)(C#N)C2)C1=O 612165130 JDDGNAIMXNTKEK-CMPLNLGQSA-N 221.304 0.843 30 20 BCED CCOCCNC(=O)CN(CC#N)C1CC1 84691997 NRYDQYYNRBESGD-UHFFFAOYSA-N 225.292 0.127 30 20 BCED CN1CC[C@@H](CNc2ccc(C#N)cn2)CC1=O 425267513 LNHIKLJEELFZGU-SNVBAGLBSA-N 244.298 1.234 30 20 BCED C[C@]1(O)C[C@@H](NC(=O)N[C@H]2CCC[C@H]2C#N)C1 331974170 MEJQYNCFNJZRQB-QFOLPQNPSA-N 237.303 0.891 30 20 BCED Cn1nncc1C(=O)NCc1cccc(C#N)c1 336987749 IMRHIJFNANWPKP-UHFFFAOYSA-N 241.254 0.617 30 20 BCED C[C@H](C#N)NC(=O)c1cncc(-n2ccnn2)c1 338453704 UYXMEYJVIGHYGQ-MRVPVSSYSA-N 242.242 0.304 30 20 BCED Cc1onc(CC(=O)NC[C@H](O)C2CC2)c1C#N 331421640 DFWHYFLUUGJFMK-NSHDSACASA-N 249.270 0.284 30 20 BCED C=CCOCC(=O)NC[C@H](C)C(=O)OCC 427204323 MNZPOKKJNPVXEH-VIFPVBQESA-N 229.276 0.504 30 20 BCED N#C[C@@H]1CN(Cc2occc2C(=O)O)CCO1 93932906 KNDPDNFQBAYUMS-MRVPVSSYSA-N 236.227 0.702 30 20 BCED C#CCNCC(=O)NCCc1cccc(C)c1 92493334 VSUHEEQIBBGOBO-UHFFFAOYSA-N 230.311 0.877 30 20 BCED CC#CCCNS(=O)(=O)CCOCC1CC1 425168969 IPNRYELOUPASFY-UHFFFAOYSA-N 245.344 0.746 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[C@H]2O)C1 425861910 MAFCXUQWMZYUFP-LNFKQOIKSA-N 237.303 0.891 30 20 BCED N#Cc1cccc([N+](=O)[O-])c1NC[C@H](O)CO 425230869 DHACJWIBOPXVBW-QMMMGPOBSA-N 237.215 0.232 30 20 BCED C=CCSCCNC(=O)C1(O)CCOCC1 331039998 BRUXUSDWUVBQCN-UHFFFAOYSA-N 245.344 0.563 30 20 BCED CC1(O)CN(C(=O)c2ccc(C#N)s2)C1 334381771 JWPGPVRNLHKRDE-UHFFFAOYSA-N 222.269 0.827 30 20 BCED C[C@@H](CC#N)NC(=O)[C@@H]1CCN(C)C(=O)C1 338088315 RENCAJPULJAPBR-DTWKUNHWSA-N 223.276 0.273 30 20 BCED N#CCCCCNC(=O)N[C@@H]1CCOC1 94890772 SHDDQXHQDGFKNS-SECBINFHSA-N 211.265 0.768 30 20 BCED C[C@@]1(NC(=O)CSCC#N)CCOC1 330482031 VXFZWTYAJIYWGL-SECBINFHSA-N 214.290 0.538 30 20 BCED C[C@H](C#N)NS(=O)(=O)c1cncc(Cl)c1 339412946 LEILUPQEOVGDAV-ZCFIWIBFSA-N 245.691 0.925 30 20 BCED C#CCN(CC)C(=O)CNC(=O)c1ccccc1 96658527 IMDMFMOFXNMQBJ-UHFFFAOYSA-N 244.294 0.898 30 20 BCED C[C@@H]1CCCN([C@H](C)C/N=C(\N)N(C)C)C1 245924030 VOOLKOGVMWIIME-GHMZBOCLSA-N 226.368 0.983 30 20 BCED Cc1ccc(F)cc1C(=O)NCC(=O)NCC#N 344188265 XUYHPTYWEFQFCZ-UHFFFAOYSA-N 249.245 0.504 30 20 BCED C[C@@H]1CC(=O)N(CN2CCO[C@@H](C#N)C2)C1 247411175 QCIWKCQPJJTFAE-ZJUUUORDSA-N 223.276 0.037 30 20 BCED C=CCCN(C)C(=O)C(=O)Nc1cc(C)on1 342603060 XGHRNLLXGAPOKB-UHFFFAOYSA-N 237.259 0.956 30 20 BCED C=CCN(CCC#N)C(=O)[C@@H](C)N(C)C 602152171 GEYQMSWNBRANGK-SNVBAGLBSA-N 209.293 0.865 30 20 BCED C[C@H](C[S@](C)=O)NC(=O)CC(C)(C)C#N 346570895 PZLFMYKGBPXYJE-GLEZIHRCSA-N 230.333 0.809 30 20 BCED C=C[C@](C)(O)CC(=O)NCc1ncc[nH]1 343468133 DQTGWHNEIQYAOI-JTQLQIEISA-N 209.249 0.353 30 20 BCED C=C1CCN(CCCS(N)(=O)=O)CC1 342008025 PVXDPRFSXYLFOQ-UHFFFAOYSA-N 218.322 0.317 30 20 BCED C[C@H]1CCC[C@H]1NC(=O)NCC(=O)NCC#N 344762146 NOWVFQLLXCBCHY-DTWKUNHWSA-N 238.291 0.114 30 20 BCED CC1(Cn2cc(CNC(=O)CC#N)nn2)CCC1 603235097 QBRWDSDLGGTMRV-UHFFFAOYSA-N 247.302 0.998 30 20 BCED C=CC[C@H](CO)NC(=O)[C@@H]1CCC[C@H](O)C1 343797819 OIRAIJBMCANDSK-MXWKQRLJSA-N 227.304 0.591 30 20 BCED N#Cc1cnccc1N1CC[C@@H](n2ccnn2)C1 603403584 XCFIHZCOAJAPJW-LLVKDONJSA-N 240.270 0.996 30 20 BCED C=CCCS(=O)(=O)N(C)C[C@H](C)OC 352387709 CFXVIRXOSGHETA-VIFPVBQESA-N 221.322 0.859 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C 355508225 KBJPANLWRKIVOX-GVXVVHGQSA-N 240.347 0.865 30 20 BCED CC[C@@](C)(C#N)NC(=O)c1cc(C(N)=O)c[nH]1 530915581 PCZLIRIKIBVFGS-NSHDSACASA-N 234.259 0.536 30 20 BCED CC1(NCc2cccc(C#N)n2)COC1 602739971 OLDQQTHNWWEBEY-UHFFFAOYSA-N 203.245 0.832 30 20 BCED C=CCOCC(=O)N1CCCN(C(C)=O)CC1 354326124 ZPQOSYHWQQVLHE-UHFFFAOYSA-N 240.303 0.270 30 20 BCED CC(C)(C)C(=O)C(=O)N1CCOC[C@@H]1C#N 268119695 QQQFVBIGXXAOOI-QMMMGPOBSA-N 224.260 0.353 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](C)Cc1cnn(C)c1 615977710 WXKXNYFMWJLYEW-SKDRFNHKSA-N 237.303 0.404 30 20 BCED C=CCOCC(=O)N(C)[C@@H](C)COC 354630174 XYKIIUCHSALLKJ-VIFPVBQESA-N 201.266 0.682 30 20 BCED C=C[C@@H](O)C(=O)NCC[C@H]1CCCN(C)C1 616235615 PGNXZDDJYHDYIR-GHMZBOCLSA-N 226.320 0.381 30 20 BCED C#CC(C)(C)NC(=O)COc1c(C)nn(C)c1C 268185751 JSGHONOZMGVREU-UHFFFAOYSA-N 249.314 0.944 30 20 BCED C=C(C)CN/C(N)=N/CCCCC(=O)OC 264120722 USABMVVMZCPNHE-UHFFFAOYSA-N 227.308 0.810 30 20 BCED C=C[C@@](C)(O)C(=O)NCC1(OC)CCCC1 615451435 PCZFCFVSMAEXEP-LLVKDONJSA-N 227.304 0.999 30 20 BCED C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 352807112 UEXNJHJWLZFOQF-MXWKQRLJSA-N 221.304 0.699 30 20 BCED CCN(C[C@@H](C)O)[C@H](C)C(=O)N(C)CCC#N 352222816 SIGDURFGYNNDLO-GHMZBOCLSA-N 241.335 0.450 30 20 BCED C=C[C@@H](O)C(=O)N1CCC(c2c[nH]nc2C)CC1 614591262 IGGKLVFFYXUHMT-GFCCVEGCSA-N 249.314 0.971 30 20 BCED C=CCCCCNC(=O)N[C@@H](C)CC(N)=O 353316956 XCDIMQAYCQWKHG-VIFPVBQESA-N 227.308 0.906 30 20 BCED COC[C@](C)(O)CNC(=O)c1c[nH]c(C#N)c1 539809665 KHVSVQDXBGJNQF-LLVKDONJSA-N 237.259 0.014 30 20 BCED CCOC(=O)[C@H](C)N1CC[C@@](F)(C#N)C1 615642115 XCWZNZHPAAKEFX-WCBMZHEXSA-N 214.240 0.876 30 20 BCED N#CCCCS(=O)(=O)N[C@H]1CCSC1 360799742 MWRVEYNZVZNGQS-QMMMGPOBSA-N 234.346 0.715 30 20 BCED C=C[C@H](Nc1ccc(CC(N)=O)cc1)C(=O)OC 619699605 BGTVEOSEFYLPRG-NSHDSACASA-N 248.282 0.854 30 20 BCED CO[C@@H](C/N=C(\N)NC1CCC1)C1CC1 263080229 HQEIYSPETJORHM-JTQLQIEISA-N 211.309 0.868 30 20 BCED N#CCN1CCc2ccccc2[C@@H]1C(N)=O 362350123 FIQZDRLGVAGOAS-LLVKDONJSA-N 215.256 0.595 30 20 BCED CC[C@H](C)N(CC(=O)OC)C(=O)[C@H](C)C#N 456062009 GNRPPLZJZSCPTJ-BDAKNGLRSA-N 226.276 0.946 30 20 BCED CCN(C)CCNC(=O)c1cc(C)c(C#N)cn1 457582622 PUJYXFVDHZGBET-UHFFFAOYSA-N 246.314 0.943 30 20 BCED C=C[C@](C)(O)CC(=O)NCc1cnn(C)c1 278736878 DKRJPMXIEKSXFH-NSHDSACASA-N 223.276 0.363 30 20 BCED CC#CC[C@@H](CO)NC(=O)C1CC(OC)C1 627977564 STXMDWAJUPFAHX-YVNMAJEFSA-N 225.288 0.302 30 20 BCED N#CCC(=O)N[C@@H]1COc2ccccc2C1=O 274255714 XFSNIFAKDLAMCR-SECBINFHSA-N 230.223 0.660 30 20 BCED C=C(C)CCNC(=O)N1CC[C@](C)(C(N)=O)C1 455330845 VYYYWXLRRVQRSJ-LBPRGKRZSA-N 239.319 0.860 30 20 BCED C=C[C@H](O)C(=O)NC[C@@H](OC)C1CCCC1 620161525 AZLOJOBPOZNXMX-WDEREUQCSA-N 227.304 0.855 30 20 BCED C=C(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC 452716057 GFWJCXRMOGLGIL-BDAKNGLRSA-N 211.261 0.878 30 20 BCED C=C(Cl)CNC(=O)C1(NC(N)=O)CC1 271215460 IPFMCKYADMSBJG-UHFFFAOYSA-N 217.656 0.056 30 20 BCED CC#CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 277740587 QWYITSPJOKSXBC-IEBDPFPHSA-N 207.273 0.939 30 20 BCED N#CCCCNC(=O)C1(C(N)=O)CCC1 543309831 FFKYFAIZYQMTFK-UHFFFAOYSA-N 209.249 0.062 30 20 BCED C=CCCO[C@@H](C)C(=O)NCC#CCO 283044797 ZROCXICKYLHCSY-JTQLQIEISA-N 211.261 0.080 30 20 BCED C=CCCO[C@@H](C)C(=O)N[C@H](CO)COC 280076892 RYOLBHYQEGVGNN-VHSXEESVSA-N 231.292 0.091 30 20 BCED CCn1cc(C/N=C(\N)N[C@H](C)COC)cn1 285097075 OIMNRDUSFAAPCI-SECBINFHSA-N 239.323 0.342 30 20 BCED C=CCCO[C@@H](C)C(=O)N(C)CCOCCO 282092145 GRUQDNBJZFWVMF-NSHDSACASA-N 245.319 0.435 30 20 BCED C=CCN1CC[C@@H](n2ncsc2=O)C1=O 280892433 DCKGVZLMBYFWDG-SSDOTTSWSA-N 225.273 0.264 30 20 BCED COC(=O)[C@]1(C)CN(C(=O)CC#N)C[C@H]1C 282024515 AJWVYRZGTLXEDA-LDYMZIIASA-N 224.260 0.558 30 20 BCED C=CC[C@@H](CC)NC(=O)c1nccnc1C(N)=O 281673067 KAJWFLKKGVOUGO-MRVPVSSYSA-N 248.286 0.660 30 20 BCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CO 280622012 GWTJNIRSDIXGHX-DCAQKATOSA-N 242.319 0.648 30 20 BCED C=C(C)CS(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C 632369515 PBVONWWPQOFPAA-QWRGUYRKSA-N 246.376 0.917 30 20 BCED C#CCN(CC#N)CC(=O)N1CCCC1 281398001 OSGSFOHDRWXYHE-UHFFFAOYSA-N 205.261 0.068 30 20 BCED C[C@@H](O)CNc1cc(N(C)C[C@@H](C)C#N)ncn1 294387922 MORDEFSXGJYTFI-VHSXEESVSA-N 249.318 0.865 30 20 BCED C=C(C)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 290895233 CPLKKMZIEZPWRK-SECBINFHSA-N 234.303 0.612 30 20 BCED C#CCNS(=O)(=O)CC1CC(F)(F)C1 295362784 RSVONHWQAQFYIQ-UHFFFAOYSA-N 223.244 0.584 30 20 BCED C#CCNC(=O)CCN1CCS[C@H](C)[C@@H]1C 293308198 ZXIBUOMPUSDKRG-WDEREUQCSA-N 240.372 0.952 30 20 BCED C=CCC(C)(C)C(=O)N[C@@H]1CC(=O)N(C)C1 292350738 UBYAPIUYLQTKLV-SECBINFHSA-N 224.304 0.936 30 20 BCED COC(=O)C1(O)CCN([C@@H](C)CCC#N)CC1 563212182 UUSBTIILDPWPFK-JTQLQIEISA-N 240.303 0.679 30 20 BCED C=CCn1cc(C(=O)NC[C@H](O)CCC)nn1 648826943 PHHHLNGBOMQCFU-SECBINFHSA-N 238.291 0.355 30 20 BCED C[C@H]1CN(C)C(=O)CN1c1ccnc(C#N)c1 804638493 REHMWAGIUUNJIM-VIFPVBQESA-N 230.271 0.620 30 20 BCED C=C[C@@H](CO)NC(=O)C[C@@H](C)SC 290573789 LCGAASODPNOCNR-SFYZADRCSA-N 203.307 0.791 30 20 BCED C=C[C@@H](O)C(=O)N(C)CCOCC1CC1 646902334 BLGDVUXMABEVNW-SNVBAGLBSA-N 213.277 0.418 30 20 BCED C=C[C@@H](O)C(=O)OCc1ncnn1CC(C)C 814551029 QEOUAOFTXCIMNX-SECBINFHSA-N 239.275 0.524 30 20 BCED C#CCCS(=O)(=O)NCC1(SC)CC1 711190702 UICFORUINFAXET-UHFFFAOYSA-N 233.358 0.825 30 20 BCED C[C@@H](O)CNN=Cc1cnc2ncccn12 814965436 ATJNNWLIVOUBOG-MRVPVSSYSA-N 219.248 0.034 30 20 BCED N#CC1(CNC(=O)N2CCC[C@H](O)C2)CC1 570578843 YZEBUBVKDKHJCQ-VIFPVBQESA-N 223.276 0.456 30 20 BCED CC(=NNC(=S)NC1CC1)c1csnn1 814733402 HEWGTGFGYVTUAT-UHFFFAOYSA-N 241.345 0.889 30 20 BCED COc1ncc(C=NN2CCN(C)CC2)s1 812222293 KGBWYUWZNKROSC-UHFFFAOYSA-N 240.332 0.733 30 20 BCED C#CCN(C)C(=O)NCc1nc(C2CC2)no1 812008269 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249.314 0.744 30 20 BCED COc1cc(CN(C)CC(N)=O)ccc1C#N 234796388 PJXHXMYMHUOZMM-UHFFFAOYSA-N 233.271 0.484 30 20 BCED N#Cc1cc(/C(O)=N/[C@]2(CCO)CCOC2)c[nH]1 331352906 XRKUEVKZFBQDIW-GFCCVEGCSA-N 249.270 0.732 30 20 BCED Cn1cnnc1N=C(O)[C@@H]1CCc2n[nH]cc2C1 330265679 ZNTHATWMRNISPP-SSDOTTSWSA-N 246.274 0.931 30 20 BCED C=CCOCCN1CCOC[C@@H]1CCOC 339208510 JGYSNKWDKUKDGT-LBPRGKRZSA-N 229.320 0.926 30 20 BCED N#C[C@H]1CC[C@@H](N2CCN(C3CC3)C(=O)C2)C1 335978863 FICJYKNWGBKYPT-CMPLNLGQSA-N 233.315 0.985 30 20 BCED CC#CCN(C)CC(=O)NCc1ccco1 266025345 QQFAUKULDYVDQB-UHFFFAOYSA-N 220.272 0.851 30 20 BCED C=C[C@@H](C)NC(=O)[C@H]1CCCCS1(=O)=O 335745062 GBHYCIJYFZEMBQ-RKDXNWHRSA-N 231.317 0.644 30 20 BCED Cc1cc(CC(=O)NC2(C#N)CCC2)n[nH]1 331930391 GAMZDLUZPXCHPL-UHFFFAOYSA-N 218.260 0.823 30 20 BCED CCOC1CN(C(=O)[C@]2(C#N)C[C@@H]2C)C1 336306670 BEKANIKUTMLFIG-KWQFWETISA-N 208.261 0.783 30 20 BCED COC[C@@](C)(C#N)NC(=O)C[C@H](C)C(=O)OC 339974669 AZNXYVMVOZDJQY-GZMMTYOYSA-N 242.275 0.230 30 20 BCED 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0.249 30 20 BCED C#C[C@@H](NC(=O)c1ccn(CCOC)n1)C(C)C 282295509 XKZDULBIEREVLC-LLVKDONJSA-N 249.314 0.917 30 20 BCED C=C(C)CS(=O)(=O)NCc1conc1C 632397791 MKJMWKUBVNCPQY-UHFFFAOYSA-N 230.289 0.979 30 20 BCED CON=CC(=O)N1CCOCC[C@@H]1C 809748672 AVKVGPBWELAKGS-QMMMGPOBSA-N 200.238 0.256 30 20 BCED C=C[C@H](CO)NC(=O)[C@H]1CCCN1C1CC1 290655548 RHQUIQRQRLEHID-MWLCHTKSSA-N 224.304 0.276 30 20 BCED C=C(CC)CNC(=O)N(C)CCNC(C)=O 563621405 WUUNBMLLOIBJRY-UHFFFAOYSA-N 227.308 0.730 30 20 BCED CC#CCNCc1cn(C[C@H]2CC[C@@H](C)O2)nn1 641189348 GFZVWHMCRDZQEH-DGCLKSJQSA-N 248.330 0.959 30 20 BCED CC#CCNC(=O)NCCCOCCOC 290974572 JESUPSMCGJKIFN-UHFFFAOYSA-N 228.292 0.362 30 20 BCED C=CCOCCN1CCSC[C@@H]1C(N)=O 293850353 RGDNPSZTZRZJGP-SECBINFHSA-N 230.333 0.092 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH]ccc1=O 648252998 SGIBSIUFFVQDKG-KCJUWKMLSA-N 234.255 0.905 30 20 BCED Cn1ccc(NC(=O)NCC2(C#N)CC2)n1 562401520 SRZBXYFLOYDIFW-UHFFFAOYSA-N 219.248 0.845 30 20 BCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@H]1CC(=O)C2 295245318 VRPDKPMVJXAUHQ-DCAQKATOSA-N 235.283 0.747 30 20 BCED C=CCCCCCn1cc(S(N)(=O)=O)nn1 641509134 WOVVQCQTPXNHHT-UHFFFAOYSA-N 244.320 0.672 30 20 BCED C=CCn1cc(C(=O)NCCNCCC)nn1 648105527 GNOCAIJNXBWOMM-UHFFFAOYSA-N 237.307 0.194 30 20 BCED N#CCCCOC(=O)[C@H]1CCCC(=O)N1 800246114 QYUOTTPQYNYRKI-MRVPVSSYSA-N 210.233 0.502 30 20 BCED C#CCCCS(=O)(=O)N[C@@H](CC)CO 711037354 YOIWDIYKCAAHAU-VIFPVBQESA-N 219.306 0.090 30 20 BCED C=C(CO)C(=O)N1CCN(C)C[C@H]1CC 818970215 DIJURDZXRGHGRX-SNVBAGLBSA-N 212.293 0.088 30 20 BCED C=C[C@](C)(O)CC(=O)N1C[C@H]2C[C@@]2(CO)C1 811331512 OCAGZTMKEZEJGB-USWWRNFRSA-N 225.288 0.154 30 20 BCED C=C[C@@](C)(O)CC(=O)NCc1nonc1C 810417769 WYUHNQCPXDCHRL-SNVBAGLBSA-N 225.248 0.321 30 20 BCED O=C(Cc1cccnc1)N[C@H]1CCCN(O)C1=O 816759247 IZQJGUYJTAOVNB-JTQLQIEISA-N 249.270 0.121 30 20 BCED Oc1nnc(O)n1N=C[C@H]1CC=CCC1 814232600 DQQPNEPBPRVQRL-ZETCQYMHSA-N 208.221 0.880 30 20 BCED C#CCOC(=O)C[C@H]1CCCS(=O)(=O)C1 815285878 CEIDBGWOQJAHKS-SECBINFHSA-N 230.285 0.378 30 20 BCED O=C(N[C@@H]1CCCN(O)C1=O)C1[C@H]2CCC[C@H]12 816756007 NXDIKOLKMRLWCB-XHNCKOQMSA-N 238.287 0.529 30 20 BCED C#CCCS(=O)(=O)N1CCSC[C@H]1C 711190074 LUCIIWYCZQTPHN-SECBINFHSA-N 233.358 0.777 30 20 BCED C[C@H](C#N)C(=O)N[C@@H]1COc2ccccc2[C@H]1O 811576012 QICVJWYUINZYJP-HLUHBDAQSA-N 246.266 0.757 30 20 BCED C#CCCOC(=O)c1ccc(=O)n(CCOC)c1 727041755 DFXMNPPGWHKVEE-UHFFFAOYSA-N 249.266 0.675 30 20 BCED C=CCS(=O)(=O)NC(=O)[C@H]1CCCSC1 810642746 CICAQTFBRMZSCB-QMMMGPOBSA-N 249.357 0.762 30 20 BCED CO[C@@H](CNC(=O)NC[C@H](C)C#N)C1CC1 578722162 XOBABJVGWDJHRX-SCZZXKLOSA-N 225.292 0.870 30 20 BCED C#C[C@@H](C)NC(=O)NC[C@](C)(O)C(F)(F)F 820417198 QVWRXXHVRDLEDT-SVRRBLITSA-N 238.209 0.621 30 20 BCED C=CCCn1cc(CNC[C@H](C)CO)nn1 657327649 LWLMAEGOJSSPGD-JTQLQIEISA-N 224.308 0.572 30 20 BCED C#CCN(C(=O)[C@]1(F)CCOC1)C1CC1 491633145 PJEQPWKZHWEUFQ-NSHDSACASA-N 211.236 0.739 30 20 BCED C=C[C@](C)(O)C(=O)NCCCOCC 665156142 UXJOBEKZGMJSHI-JTQLQIEISA-N 201.266 0.466 30 20 BCED C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C 491102443 MAIDKVUERKIQOI-UHFFFAOYSA-N 247.302 0.121 30 20 BCED C#Cc1cnc(N2CCCC3(C2)OCCO3)nc1 827786546 DEYLEQXSIISYJR-UHFFFAOYSA-N 245.282 0.801 30 20 BCED C=CC[C@H]1CCCN(C(=O)C(=O)NC)C1 664334520 ZTURJYFJZNVNLS-VIFPVBQESA-N 210.277 0.547 30 20 BCED C=C[C@@H](NCCC(C)(C)C(=O)OC)C(=O)OC 586559387 UPTHXQXMMFFTBT-SECBINFHSA-N 243.303 0.893 30 20 BCED CCCCN(O)C(=O)Cc1cnn(C)c1 904210701 XXILXMRTUVKZSO-UHFFFAOYSA-N 211.265 0.981 30 20 BCED C#C[C@@H](NC(=O)c1ccc2nnnn2c1)C(C)C 491768202 KUUOESIXYSFLFO-SNVBAGLBSA-N 243.270 0.512 30 20 BCED C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)O)C1CC1 820113789 GOYTXKOQIAIWDG-WRWORJQWSA-N 224.260 0.906 30 20 BCED CC(=NN[C@@H]1CCC[C@H]1O)c1cnnn1C 901333548 HZGOHAZHHHPIQM-PSASIEDQSA-N 223.280 0.042 30 20 BCED CO[C@@H]1COC[C@H]1NC(=O)NCC1(C#N)CC1 582962394 TXLCHWHBCWSFPC-RKDXNWHRSA-N 239.275 0.003 30 20 BCED C#CCN(CC)C(=O)N[C@@H]1COC[C@H]1OC 491781584 GIELSQVPFZQALM-NXEZZACHSA-N 226.276 0.065 30 20 BCED CC(=O)NCCCNC(=O)C#CC(C)C 820916060 ZVWHZCOOTWVITQ-UHFFFAOYSA-N 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763478490 SIIIHLJHRIUSEP-SNVBAGLBSA-N 233.271 0.872 30 20 BCED C#CCN(CCCCS(C)(=O)=O)C1CC1 763958294 UVUBORPEXPJZSH-UHFFFAOYSA-N 229.345 0.909 30 20 BCED CC#CC(=O)N[C@](CC)(C(N)=O)C(C)C 764666428 QLQPBLOGYHEZGI-NSHDSACASA-N 210.277 0.416 30 20 BCED C[C@@H](C#N)OC(=O)CCCCc1cnn[nH]1 768509562 MWHUFCGLSBQBMY-QMMMGPOBSA-N 222.248 0.973 30 20 BCED CCS(=O)(=O)CC(C)=NNCC(F)(F)F 769808932 VMMIUYYWDYIDLR-UHFFFAOYSA-N 246.254 0.949 30 20 BCED Cn1c(C=Nn2cnnc2O)nc2ccccc21 770614536 CBTBLXYDSZWSJK-UHFFFAOYSA-N 242.242 0.753 30 20 BCED CNC(=O)[C@H](C#N)C(=O)c1cnn(C(C)C)c1C 771261406 PBGNDUMBLJSBRX-SECBINFHSA-N 248.286 0.841 30 20 BCED C[C@@H](C#N)OC(=O)CN(C)[C@@H]1CCSC1 772059081 GKBSJAPDXBOEKN-DTWKUNHWSA-N 228.317 0.879 30 20 BCED C#CCNC(=O)[C@@H](C)OC(=O)CCCC(C)=O 772367572 JVSKAHZVJPQZEA-SNVBAGLBSA-N 239.271 0.427 30 20 BCED N#CC1(C(=O)NOC2CCOCC2)CCC1 772712138 GHLHMHCPTOASAL-UHFFFAOYSA-N 224.260 0.907 30 20 BCED C#C[C@H](C)NC(=O)NCCOC[C@@H]1CCOC1 773591554 VMIBCZVXBDNKKI-WDEREUQCSA-N 240.303 0.360 30 20 BCED N#Cc1ccc(CCC(=O)NOCCO)cc1 776585098 OIKUTJZTMXCDKQ-UHFFFAOYSA-N 234.255 0.531 30 20 BCED COC[C@H](C)C(C)=NN1CCOCC1 777878554 HJYQXXNMHLIRDL-VIFPVBQESA-N 200.282 0.977 30 20 BCED CC(=NNCCS(C)(=O)=O)[C@H]1CCCOC1 779775619 GIGJRULELDGPIQ-JTQLQIEISA-N 248.348 0.423 30 20 BCED CC(C)N1CC(=NNC2=NC[C@@H](C)N2)[C@@H](C)C1 779797736 IQZVYJQCSPGTTE-VHSXEESVSA-N 237.351 0.640 30 20 BCED C#CCCCCCC(=O)NCCC(N)=O 780369036 FBZAHDPECYAQQH-UHFFFAOYSA-N 210.277 0.562 30 20 BCED C#CCOCCC(=O)N[C@@H](C)c1ncn(C)n1 781403889 BDDNZKDACGSVBE-VIFPVBQESA-N 236.275 0.032 30 20 BCED CC(C)(C)C(=O)Cn1cc(C(=O)NO)nn1 782172270 OFBQEOGXQJRDKE-UHFFFAOYSA-N 226.236 0.012 30 20 BCED COC[C@H](C#N)OC(=O)Cc1cncs1 782356953 LBNHDZUMCGQZQK-ZETCQYMHSA-N 226.257 0.767 30 20 BCED C#Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)cn1 783803142 SDOQUUVSDSHSJM-RISCZKNCSA-N 242.278 0.517 30 20 BCED COC(=O)N[C@@H](C)C(=O)N1CC[C@@](F)(C#N)C1 786232407 FVGDHRONINLQIM-OIBJUYFYSA-N 243.238 0.195 30 20 BCED C[C@@H](C#N)CNC(=O)NOC[C@@H]1CCOC1 788315964 FLBJLELPUMCCQY-DTWKUNHWSA-N 227.264 0.413 30 20 BCED COc1nccnc1NN=Cc1cn(C)cn1 794535783 VQFRSBNJHWBRJF-UHFFFAOYSA-N 232.247 0.665 30 20 BCED COCCN(C)N=C(C)CCN(C)C 794965923 GJKUOZDXKQQEFF-UHFFFAOYSA-N 201.314 0.892 30 20 BCED COC(=O)c1ccc(C(=O)OCC#N)[nH]1 796366022 PDWYCDITMDPJHT-UHFFFAOYSA-N 208.173 0.482 30 20 BCED C#CCC[C@@H](O)CNC(=O)c1ncoc1CC 799074871 DUVYOVRGAWMFND-SECBINFHSA-N 236.271 0.741 30 20 BCED Cc1n[nH]cc1C(=O)OCCO[C@H](C)C#N 801861775 KYHZTVLXURXWNW-SSDOTTSWSA-N 223.232 0.804 30 20 BCED COC(=O)COCC(=O)OCC1(C#N)CC1 803805136 OSHUFCMAFLVSOH-UHFFFAOYSA-N 227.216 0.023 30 20 BCED CON=CC(=O)Nc1cc(C)n(CCC#N)n1 809742939 NQHBMCXSMAUIKJ-UHFFFAOYSA-N 235.247 0.676 30 20 BCED CO[C@@H]1CCN(C(=O)c2cccc(C#N)n2)C1 810475180 AYZBCSFSLCQAGM-SNVBAGLBSA-N 231.255 0.814 30 20 BCED CC#CCS(=O)(=O)NC(=O)C1(F)CCCC1 810773488 AKGCYWVLKIPMGA-UHFFFAOYSA-N 247.291 0.738 30 20 BCED Cn1cnc(C(=O)OC2(CC#N)CCC2)n1 810858908 QEBUVANXCDGYIS-UHFFFAOYSA-N 220.232 0.808 30 20 BCED N#CCCCC(=O)NS(=O)(=O)N1CCCC1 813062877 JTFZDOYPXHQTKB-UHFFFAOYSA-N 245.304 0.137 30 20 BCED COC[C@@H](Nc1ccc(C#N)c(C)n1)C(N)=O 813599998 ILUWJUVULQJGNU-SECBINFHSA-N 234.259 0.174 30 20 BCED COC(=O)[C@@H]1[C@H]2CN(c3ncccc3C#N)C[C@H]21 813621066 NNXJEOVDXVEXHZ-URLYPYJESA-N 243.266 0.808 30 20 BCED CN(C(=O)NCCC#N)[C@@H]1CC(C)(C)OC1=O 813739812 ZPUODPDEHGDBAY-MRVPVSSYSA-N 239.275 0.636 30 20 BCED CCn1ncn(N=Cc2nc(C)cs2)c1=O 814234230 JDELSYIMHOOILX-UHFFFAOYSA-N 237.288 0.712 30 20 BCED C=C[C@@H](O)C(=O)OCc1cc(OC)cc(C)n1 814548017 LOVIVEKNLGXALN-LLVKDONJSA-N 237.255 0.989 30 20 BCED CC(=NOCC(N)=O)c1cccc(CO)c1 814893654 ZDKOPNLHUCHJMQ-UHFFFAOYSA-N 222.244 0.405 30 20 BCED O=C1NCCCN1N=C[C@H]1CCCOC1 814895639 PZIPVNXPVSXGHV-SECBINFHSA-N 211.265 0.814 30 20 BCED C=CCONC(=O)N1C[C@H](CO)OC(C)(C)C1 817785358 GOUXHHKPWQFFOA-SECBINFHSA-N 244.291 0.285 30 20 BCED C=C(CO)C(=O)NC[C@]1(O)CCC[C@@H]1C 818993848 UXSYWBZAWJFPLB-GXSJLCMTSA-N 213.277 0.202 30 20 BCED C#C[C@H](C)NC(=O)N1CC[C@](F)(CO)C1 820413403 ZWSTXVWPWRQXEX-WCBMZHEXSA-N 214.240 0.124 30 20 BCED C#C[C@H](C)NC(=O)NCCC[C@@H](O)CC 820428242 OBANOKCMMLALDI-UWVGGRQHSA-N 212.293 0.858 30 20 BCED CN(CC#N)Cc1ccc(F)c(-c2nn[nH]n2)c1 821592791 VRYUPFHCXQPUEQ-UHFFFAOYSA-N 246.249 0.961 30 20 BCED C=CCNC(=S)N1C[C@@H](C)[C@@H](C(=O)O)C1 825687809 XYPCJDLUSIAAKX-SFYZADRCSA-N 228.317 0.699 30 20 BCED C[C@H](C#N)OC(=O)c1cnccc1C(=O)O 825967374 UTPOVHSDDFQQEH-ZCFIWIBFSA-N 220.184 0.849 30 20 BCED COCCN1CC[C@H](NC(=O)C#CC(C)C)C1 826797357 RSGCZBCIFBXSEI-LBPRGKRZSA-N 238.331 0.483 30 20 BCED C#CCN(CC#N)Cc1nn(CC)nc1C 829454735 WALHXZITZRATPQ-UHFFFAOYSA-N 217.276 0.565 30 20 BCED CC[C@H](C)OCC(=O)N[C@H]1CNC[C@@H]1C#N 834480406 PPJXQOUVANBDNI-GUBZILKMSA-N 225.292 0.029 30 20 BCED CC(=O)N[C@@H](CCC(C)C)C(=O)NCCC#N 834652268 NHPPWPAJFQELSJ-NSHDSACASA-N 239.319 0.957 30 20 BCED C#CCOCCC(=O)OCCCc1ccncn1 836054924 PCPISNMWFOBMNB-UHFFFAOYSA-N 248.282 0.992 30 20 BCED COCCCN(CCOC)C(=O)C#CC1CC1 837358554 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249.310 0.899 30 20 BCED C=C[C@@H](O)C(=O)N[C@@](C)(CO)c1ccccc1 855085445 ITRGXLUJPCRNKH-YPMHNXCESA-N 235.283 0.557 30 20 BCED C#CC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 855108632 ZDKSZIQEQLHOHR-MRVPVSSYSA-N 205.217 0.833 30 20 BCED C#Cc1ccc(C(=O)NC2([C@H](C)O)CC2)cn1 856129589 VHKOGLHYIVRSLL-VIFPVBQESA-N 230.267 0.706 30 20 BCED C#CCCN(CCOC)C(=O)C[C@H](C)OC 856387841 YUSCZEBHUGAFAE-NSHDSACASA-N 227.304 0.910 30 20 BCED C=C(CO)C(=O)NCc1cc(OC)ccc1F 857726174 IUHZRTMMMHKOKC-UHFFFAOYSA-N 239.246 0.999 30 20 BCED C=CCS(=O)(=O)NC(=O)[C@@H](OCC)C1CC1 860630958 JZPUWEMFPXXCJV-VIFPVBQESA-N 247.316 0.434 30 20 BCED C=C[C@](C)(O)c1cn([C@@H](C)C(=O)OC)nn1 864645361 ZJGRJPSGISFXRZ-XVKPBYJWSA-N 225.248 0.406 30 20 BCED C=C(C)CCNC(=O)/C=C/CN1CCOCC1 868699479 AGOUDEYSKAYRDQ-ONEGZZNKSA-N 238.331 0.957 30 20 BCED C=CCNC(=O)COC(=O)c1nocc1C 870341865 OJBUSZULDNTXLB-UHFFFAOYSA-N 224.216 0.442 30 20 BCED C#CCNC(=O)CCn1ccnc1C1CC1 871983531 HVIIAQKCTTYXJU-UHFFFAOYSA-N 217.272 0.900 30 20 BCED C=CCn1cc(CN2CCC(O)CC2)nn1 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0.207 30 20 BCED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)CC#N)C1 1628808398 LGUVHARLRGQZGZ-KXUCPTDWSA-N 238.287 0.994 30 20 BCED CC[C@H](F)C(=O)Nc1nc(C#N)c(C#N)[nH]1 1631396227 ZYSWOTMSFBJISB-YFKPBYRVSA-N 221.195 0.840 30 20 BCED Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1CCO 1638619054 STYRBSCPCUWKIM-SNVBAGLBSA-N 247.298 0.884 30 20 BCED N#CC[C@H]1CCCN(C(=O)c2cnnc(O)c2)C1 1640337953 SPMFMGYCWZNNGJ-SECBINFHSA-N 246.270 0.948 30 20 BCED CC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 1718518779 AQOFGFBQFAVECZ-MRVPVSSYSA-N 248.286 0.483 30 20 BCED CN(CC#N)CCNC(=O)c1ncoc1C1CC1 1753070007 RVJOQCFNUKEKHL-UHFFFAOYSA-N 248.286 0.737 30 20 BCED C[C@H]1C[C@@H]1C(=O)NC[C@H](C)CNCC#N 1753625575 JKFCDZVGOQZRPD-UTLUCORTSA-N 209.293 0.508 30 20 BCED C#CCNC[C@H](C)N(C)C(=O)[C@H](OC)C1CC1 1753685776 RADLNPXVKUXBKF-CMPLNLGQSA-N 238.331 0.481 30 20 BCED CCN(CCNCC#N)C(=O)C1[C@@H]2CCC[C@@H]12 1754040305 WIXBNBLDTHZICD-GHMZBOCLSA-N 235.331 0.994 30 20 BCED C#CCNC[C@@H](C)NC(=O)c1ccncc1 1754216920 UHGIORYTWZEHCV-SNVBAGLBSA-N 217.272 0.423 30 20 BCED C#CCNC1(CNC(=O)[C@H]2C[C@@]23CCOC3)CC1 1754531376 ZDPBJNOOYYMJQA-DGCLKSJQSA-N 248.326 0.285 30 20 BCED CCC(=O)N[C@H](C)CN(C)C(=O)[C@H](C)C#N 1756490429 WGJOIPJNBILLRG-RKDXNWHRSA-N 225.292 0.519 30 20 BCED C=C(CO)CN[C@@H](C(=O)O)c1ccccc1 1776142707 UNMUDLNFVMNTRD-LLVKDONJSA-N 221.256 0.950 30 20 BCED C=CCN(CCC(=O)O)Cc1ncnn1C 1776178644 WWOILCDRTQBBHS-UHFFFAOYSA-N 224.264 0.278 30 20 BCED CNC(=O)C/N=C(\N)Nc1ccc(OC)cc1 170907009 MEFFWYXBHYAIOO-UHFFFAOYSA-N 236.275 0.168 30 20 BCED C[C@@H]1OCC[C@@]1(O)CNc1ccnc(C#N)n1 310315689 XJJMEDNWDBOBQG-GZMMTYOYSA-N 234.259 0.300 30 20 BCED C=C(Cl)CN1CCC[C@@H](C(=O)NCCN)C1 63179892 HMUICSVMCHRAQM-SNVBAGLBSA-N 245.754 0.526 30 20 BCED C=CCCO[C@H](C)C(=O)N(C)C[C@H](C)O 177408464 CMFIVMLTTPTIEA-VHSXEESVSA-N 215.293 0.807 30 20 BCED CN(C[C@H](C#N)CCC#N)CC(C)(CO)CO 305634345 ALYSWWMSLZJAKD-NSHDSACASA-N 239.319 0.353 30 20 BCED C[C@H]1CN(CC(C)(C)O)CCN1CCC#N 408440507 COJCKMPFOCCWEB-NSHDSACASA-N 225.336 0.677 30 20 BCED C[C@@H]1C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 26273128 YRTACNPPTOOCSD-PHDIDXHHSA-N 215.216 0.748 30 20 BCED CC[C@](C)(C#N)C(=O)N(C)CC(=O)NC 136188969 OBIHDBORQVZFAP-SNVBAGLBSA-N 211.265 0.131 30 20 BCED CC/N=C(/N)NC[C@@H]1CN(CC(C)C)CCO1 303791994 YBOFBKFSUQNNGA-LLVKDONJSA-N 242.367 0.267 30 20 BCED N#Cc1cncc(N2CCC(=O)CC2)n1 401317491 DLVFQRGNINOQPG-UHFFFAOYSA-N 202.217 0.518 30 20 BCED N#Cc1ccnc(C(=O)N2CCC[C@@H]2CO)c1 407994459 ASUCALIBWNRMMR-SNVBAGLBSA-N 231.255 0.550 30 20 BCED C[C@@H](O)CCN(C)S(=O)(=O)CCCCC#N 305140949 WECGEBMJONUHDT-SNVBAGLBSA-N 248.348 0.713 30 20 BCED N#CCCCN1CCC[C@H](S(N)(=O)=O)C1 408099399 LBZZZBFRARWYIA-VIFPVBQESA-N 231.321 0.043 30 20 BCED N#CCNC(=O)CN1CCC2(CCC2)C1 123218147 IQXPWNCZHGFCPK-UHFFFAOYSA-N 207.277 0.502 30 20 BCED C#CCCCCNC(=O)N[C@@H](C)c1nc[nH]n1 183284201 ZZVKKLSQQLSYEY-VIFPVBQESA-N 235.291 0.968 30 20 BCED CO[C@H]1C[C@H](NS(=O)(=O)CC(C)(C)C#N)C1 918449863 ZQDBADWDTRHRTO-KYZUINATSA-N 246.332 0.633 30 20 BCED CCCNC(=O)CNC(=O)c1c[nH]c(C#N)c1 181165588 XQVYLPCFSSYUDA-UHFFFAOYSA-N 234.259 0.142 30 20 BCED CS(=O)(=O)CCCON=C1CCC1 379355516 LRZLQKQVIZVRLQ-UHFFFAOYSA-N 205.279 0.978 30 20 BCED C[C@H](OC[C@@H]1CCCO1)C(=O)NC(C)(C)C#N 123396306 KHTDYZPHQIVMPL-UWVGGRQHSA-N 240.303 0.989 30 20 BCED CN1CCN/C1=N\CCc1nccs1 261528761 NMGIRDILQVKOCS-UHFFFAOYSA-N 210.306 0.577 30 20 BCED COCCOc1ccccc1C(=O)NCC#N 126694561 YRFRSNDUDXWDGQ-UHFFFAOYSA-N 234.255 0.965 30 20 BCED C#CCN(CC#N)C(=O)[C@@]1(C)CCCCO1 491662023 LGAGOSUPBHWZJF-GFCCVEGCSA-N 220.272 0.931 30 20 BCED C#CCNC(=O)CCN[C@@H]1CCOC(C)(C)C1 491676078 YLWAGYPKGGPSRV-LLVKDONJSA-N 238.331 0.673 30 20 BCED C[C@H]1[C@@H](C)N(CCC#N)CC[S@@]1=O 76815742 PYJFTHILEOPEAZ-VYUIOLGVSA-N 200.307 0.741 30 20 BCED C[C@H](O)CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 35110311 BPNLMFPOLBXMAV-VHSXEESVSA-N 248.282 0.823 30 20 BCED C=CCN(C(=O)[C@H]1CNCCO1)C1CC1 131293986 VRYZCJIWRBDFOT-SNVBAGLBSA-N 210.277 0.152 30 20 BCED C#CCN(CC#N)C(=O)[C@@H]1CCc2cn[nH]c2C1 282086502 UXURFLAZYKUCAQ-SNVBAGLBSA-N 242.282 0.500 30 20 BCED CC(C)[C@@H](CO)NC(=O)NCCCCC#N 78938884 BYZPWDGOFWDMKY-SNVBAGLBSA-N 227.308 0.996 30 20 BCED CCN(CC#N)C(=O)[C@@H](CC(C)C)C(N)=O 413223916 DLXISCLNAWALKF-VIFPVBQESA-N 225.292 0.506 30 20 BCED CC[C@@H](CC#N)NC(=O)c1ccc(C(N)=O)cn1 183909571 FLBCILYMIVKBKL-VIFPVBQESA-N 246.270 0.603 30 20 BCED COC(=O)[C@@H](C)NC(=O)c1ccc(C#N)c(C)n1 42240165 BCNLOGGFELSJDM-MRVPVSSYSA-N 247.254 0.553 30 20 BCED C=CCN(C)CCN(CC)Cc1nnnn1C 411638694 HUZUCAZKQUXBND-UHFFFAOYSA-N 238.339 0.150 30 20 BCED C#C[C@@H](C)NC(=O)N[C@H](C)CS(=O)(=O)CC 186049648 GFYKAYZRIPIAFH-RKDXNWHRSA-N 246.332 0.131 30 20 BCED N#Cc1ccc([N+](=O)[O-])c(-n2cnc(C#N)n2)c1 130715676 DDXMRFWGZWBLNJ-UHFFFAOYSA-N 240.182 0.919 30 20 BCED C[C@]1(/C(O)=N/CCn2ncnn2)CCCOC1 329274133 AYJQZDHYPLAPQB-JTQLQIEISA-N 239.279 0.446 30 20 BCED C[C@H](C#N)CN[C@@H](C)C[C@H]1CCC(=O)N1 379806289 NZGFVBQDSBNQRF-KXUCPTDWSA-N 209.293 0.793 30 20 BCED N#Cc1ccncc1N1CCN2C(=O)NC[C@H]2C1 135613986 MOLQXNKMNUZJSH-JTQLQIEISA-N 243.270 0.167 30 20 BCED CCN(CCC#N)C[C@@H](O)Cn1cccn1 81515057 FTKXQRHPLKTAJB-LLVKDONJSA-N 222.292 0.480 30 20 BCED CC(=O)CSCC(=O)N=c1cc[nH]cc1C#N 426880066 YYAJWMWDNDPAAY-UHFFFAOYSA-N 249.295 0.636 30 20 BCED C=CCn1cc(CNC(=O)NC2CC2)nn1 515165015 KFQWFBMWPQTVKG-UHFFFAOYSA-N 221.264 0.426 30 20 BCED C#CCN(C)Cc1cc(=O)n2nccc2[nH]1 192239427 ICNDLYONODYBGW-UHFFFAOYSA-N 216.244 0.088 30 20 BCED CC(C)(C#N)C(=O)NCc1nccc(=N)[nH]1 381675029 XFSQZXXWQPPQAR-UHFFFAOYSA-N 219.248 0.055 30 20 BCED CO[C@H](C)C(=O)Nc1cc(C#N)ccn1 331046125 IBTDVHSBJMFENO-SSDOTTSWSA-N 205.217 0.927 30 20 BCED CN(CCC#N)C(=O)[C@]1(O)CCSC1 334180975 DSFQLCIAYUCJNV-VIFPVBQESA-N 214.290 0.226 30 20 BCED C=C[C@H](C)NC(=O)Nc1nnc(C)s1 334693546 FOZWHYPODMFTIU-YFKPBYRVSA-N 212.278 1.543 30 20 BCED CC1=CCN(S(=O)(=O)[C@@H](C)C#N)CC1 235094821 KOVOVPKQPCJGFB-VIFPVBQESA-N 214.290 0.880 30 20 BCED N#CC1(CN2C(=O)NC3(CCC3)C2=O)CC1 334276786 SCOKSLGGOGEVPZ-UHFFFAOYSA-N 219.244 0.765 30 20 BCED N#CCCCN1C(=O)[C@@H]2CSCN2C1=O 336382867 QNFPFLZKBPNZPW-ZETCQYMHSA-N 225.273 0.627 30 20 BCED N#CCC[C@@H](C#N)CN1CC[C@@](F)(CO)C1 338625508 NTGPVWFIHAJRQH-QWRGUYRKSA-N 225.267 0.836 30 20 BCED C=C(C)CCN1C(=O)N[C@H](COC)C1=O 420011583 ZBJNUHVSDGWEMA-MRVPVSSYSA-N 212.249 0.519 30 20 BCED Cc1ccnc(Cn2nc(C)c(C#N)c2N)n1 339401573 WMLRONUCVHRDDR-UHFFFAOYSA-N 228.259 0.792 30 20 BCED CCN(CC)S(=O)(=O)c1cccnc1C#N 233432953 VWGGXTKNNLRJJS-UHFFFAOYSA-N 239.300 0.984 30 20 BCED N#CCNC(=O)Cc1n[nH]c2ccccc12 335971908 VIGONRBQIUKWLH-UHFFFAOYSA-N 214.228 0.745 30 20 BCED N#Cc1ccc(F)c(CN2C[C@@H](O)[C@H](O)C2)c1 236529272 PLTADBWBVNPXLD-VXGBXAGGSA-N 236.246 0.235 30 20 BCED C=C[C@@H](C)NC(=O)[C@@H]1CCCCS1(=O)=O 335745059 GBHYCIJYFZEMBQ-BDAKNGLRSA-N 231.317 0.644 30 20 BCED C/C=C/C[C@H](CO)N=c1cc[nH]c(C#N)n1 519834942 MRASPJSWKBHBRQ-GKQMSVHHSA-N 218.260 0.509 30 20 BCED C=CCN(CCOC)C(=O)[C@@H]1CCCC(=O)N1 337758386 NGFDGPJFCMDXIJ-JTQLQIEISA-N 240.303 0.316 30 20 BCED N#CCN1CCN(Cc2ccc(CO)o2)CC1 92936335 LVRDHOFYGCOFIW-UHFFFAOYSA-N 235.287 0.413 30 20 BCED CN1C(=O)CC[C@H]1C(=O)NC1(C#N)CCCC1 336146763 BAGRQBOHJFSTCI-VIFPVBQESA-N 235.287 0.560 30 20 BCED COC[C@](C)(C#N)NC(=O)c1c[nH]cc1C 433977579 VKINEVSINGPSRL-NSHDSACASA-N 221.260 0.982 30 20 BCED CC[C@]1(O)CCN(C(=O)NC[C@@H](C)C#N)C1 335230383 ITUROCIEVOHEOC-ONGXEEELSA-N 225.292 0.702 30 20 BCED C=CCOCC(=O)N1CC[C@@H](O)C[C@H]1C 346723427 NCUCSVMZUOOTDM-NXEZZACHSA-N 213.277 0.561 30 20 BCED C=C[C@H](N[C@H]1CCN(C(C)C)C1=O)C(=O)OC 619701816 WDTIXBPCETVOJH-UWVGGRQHSA-N 240.303 0.313 30 20 BCED C=CCCO[C@H](C)C(=O)NC[C@H]1COCCO1 346048279 BPCQZJMUQBWUHF-MNOVXSKESA-N 243.303 0.499 30 20 BCED CN(C(=O)Cn1cc(CCC#N)nn1)C1CC1 603211209 JUZJERBJAMHTPI-UHFFFAOYSA-N 233.275 0.355 30 20 BCED COC(=O)[C@H](C)N(C)C(=O)c1cc(C#N)[nH]c1C 600318159 NQLOOVOPLFSYAR-QMMMGPOBSA-N 249.270 0.828 30 20 BCED COC[C@H](CO)NC(=O)c1ccccc1CC#N 601545281 DYVSGTDDJZMYEH-NSHDSACASA-N 248.282 0.490 30 20 BCED C=C(CC)CN1C(=O)N[C@](C)(COC)C1=O 348378020 PGZFEUDPYVMWBA-LLVKDONJSA-N 226.276 0.910 30 20 BCED N#CCSCC(=O)Nc1cnccn1 346597262 CWLJZJASHPJMCI-UHFFFAOYSA-N 208.246 0.672 30 20 BCED CCNCc1cn(CC2(C#N)CC2)nn1 603226512 CSMCOXPMMJKDOW-UHFFFAOYSA-N 205.265 0.691 30 20 BCED CCC(C#N)(CC)C(=O)NC/C=C/CO 600092164 QCVIEJFBFNRKRL-AATRIKPKSA-N 210.277 0.981 30 20 BCED C#CCCCN[C@H](C)CS(=O)(=O)CC 183045213 KITSWIJSAFXAPM-SNVBAGLBSA-N 217.334 0.813 30 20 BCED C=C(C)CCN1CC[C@H](S(=O)(=O)NCC)C1 351736564 RHWWKAWBQZHBFS-NSHDSACASA-N 246.376 0.966 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@H]1CCO[C@@H]1C 355927887 SMIKFCYCSQNIHF-YWVKMMECSA-N 226.276 0.456 30 20 BCED Cn1ccnc(NC(=O)NCCCCC#N)c1=O 350158630 SKRIDIPIQVYLOT-UHFFFAOYSA-N 249.274 0.596 30 20 BCED CC(C)(C#N)CC(=O)N1CC[C@@H](NC(N)=O)C1 355440268 MEDIBMHQOSHWMM-MRVPVSSYSA-N 238.291 0.195 30 20 BCED C=C[C@](C)(O)C(=O)N1C[C@@H](C)C[C@H](CO)C1 616369240 GQQOBZRINSJXCU-NHCYSSNCSA-N 227.304 0.400 30 20 BCED C=CCN(C(=O)[C@H]1CCN(C)C1)[C@H](C)COC 617578811 RBGREABWUUCSBU-NEPJUHHUSA-N 240.347 0.988 30 20 BCED N#Cc1csc(C(=O)NC2(C(N)=O)CCC2)c1 610976528 NRNYGDCZNBRWRW-UHFFFAOYSA-N 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230.699 0.720 30 20 BCED CCc1csc(=O)n1CC(=O)NCCC#N 842585572 DPMNRDFMQVIYEA-UHFFFAOYSA-N 239.300 0.502 30 20 BCED C=C[C@@H](C)ONC(=O)N[C@@H](CC)CO 844284794 XCSHOJHWJRUPAD-SFYZADRCSA-N 202.254 0.563 30 20 BCED CCC[C@@H](C#N)NC(=O)Cc1nonc1C 845364692 GTYXKAXAUDLNIT-QMMMGPOBSA-N 222.248 0.729 30 20 BCED C=C[C@H](C)ONC(=O)NCC[C@H](C)O 845620931 BXRGTHHQQGODFJ-YUMQZZPRSA-N 202.254 0.563 30 20 BCED C#Cc1cncc(C(=O)N[C@@H](CO)CCF)c1 846566143 ZXALFMOPNIZEEO-LLVKDONJSA-N 236.246 0.513 30 20 BCED CC1(C)COC(=O)[C@H]1NC(=O)CCCC#N 846652733 SCSFOWWRSAMEPP-SECBINFHSA-N 224.260 0.748 30 20 BCED CN1CCN(CC(=O)NCCC#N)CC1(C)C 846893829 ZYKCQFLSYKGCOR-UHFFFAOYSA-N 238.335 0.042 30 20 BCED CC(C)n1cc(CNC(=O)C#CC2CC2)nn1 848116881 CLBOHDFXWRXXFT-UHFFFAOYSA-N 232.287 0.889 30 20 BCED N#CCC1(COC(=O)c2nonc2N)CC1 849716162 UUHWHBXVDKGEFA-UHFFFAOYSA-N 222.204 0.502 30 20 BCED CC[C@@H](NN=Cc1cncc(OC)c1)C(=O)O 853349032 QURAMVFVJJKSNP-SNVBAGLBSA-N 237.259 0.877 30 20 BCED CC[C@H]1COCC1=NNc1cnnn1C 853352311 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COc1ccc(NC(=O)C(=O)N(C)C)cc1C#N 873686185 VRTYALZVADVZJT-UHFFFAOYSA-N 247.254 0.594 30 20 BCED C#CC[C@@H](NCc1snnc1C)C(=O)OC 877583536 RFKIXGXAXPFFDB-MRVPVSSYSA-N 239.300 0.501 30 20 BCED Cc1ccc(C(=O)NO)cc1N1CCOCC1 878093035 BLGSHFXIPVNXBH-UHFFFAOYSA-N 236.271 0.951 30 20 BCED C=C(C)CCN(C)Cc1nnc2c(=O)[nH]ccn12 880362252 HTPSGQHWIYNURN-UHFFFAOYSA-N 247.302 0.816 30 20 BCED C=CCOCCn1cc(CC(C)(C)O)nn1 881286240 UJCZAUUUZUUKTJ-UHFFFAOYSA-N 225.292 0.794 30 20 BCED C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CN 884341196 UJMJQDWSUUBKRD-ZJUUUORDSA-N 246.314 0.943 30 20 BCED C#CCN1CCC[C@@H](NCc2ccc(C)nn2)C1 886209318 KIEXOVDNCPDBSN-CQSZACIVSA-N 244.342 0.972 30 20 BCED C#CCN1CCC[C@H](N[C@@H]2CCO[C@H]2C)C1 886211054 IMUZFVKKCNPRFV-RWMBFGLXSA-N 222.332 0.851 30 20 BCED N#CCc1ccccc1CC(=O)N1CC[C@@H]1CO 889147596 KRRVPWLZYRWASL-CYBMUJFWSA-N 244.294 0.888 30 20 BCED C#CC1(O)CN(C(=O)[C@@H](F)c2ccccc2)C1 890524470 NTKIPUGIARAWKT-NSHDSACASA-N 233.242 0.904 30 20 BCED C#CC1(O)CN(C(=O)C2(COC)CCCC2)C1 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247.298 0.262 30 20 BCED C#CCCCc1nnc(N2CCO[C@@H](C)C2)n1C 908531669 ROWDJSPVTONVJI-NSHDSACASA-N 248.330 0.996 30 20 BCED N#CCC(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 911851282 CKLZAJKFEKQLEM-SSDOTTSWSA-N 220.232 0.345 30 20 BCED C#CCCCCC(=O)N[C@H]1C(=O)NCC1(C)C 912821367 ZSSRGMKGSCZQHG-NSHDSACASA-N 236.315 0.821 30 20 BCED CS[C@H](C)CC(=O)NCC#CCN(C)C 913520495 RNQNQBNNGYTASB-SNVBAGLBSA-N 228.361 0.809 30 20 BCED C=CCNC(=O)Nc1ccc(-n2nccn2)nc1 915882494 PMDDIFRXXQQURJ-UHFFFAOYSA-N 244.258 0.970 30 20 BCED C#CC[C@H](CO)NC(=O)NC[C@]1(C)CCOC1 918496226 FNFQAHCUFYRPJX-PWSUYJOCSA-N 240.303 0.096 30 20 BCED C#CCN(C(C)C)S(=O)(=O)N(C)CC1CC1 921431562 JHHWDOPGFRELHI-UHFFFAOYSA-N 244.360 0.917 30 20 BCED O=C(NCC#CCO)NC[C@H]1C=CCC1 923759608 CJGFUSBEWHCKMT-JTQLQIEISA-N 208.261 0.248 30 20 BCED C#CC[C@@H]1NC(=O)N([C@H]2CC[C@H](O)CC2)C1=O 927473796 QVUZWPOUWCZSDB-GUBZILKMSA-N 236.271 0.234 30 20 BCED C#CC1(O)CN(C(=O)Nc2cccc(F)n2)C1 930877370 FEUXTJLUYFRECX-UHFFFAOYSA-N 235.218 0.433 30 20 BCED COCC#CCN1CC[C@@H](N(C)C)[C@H]1C 931036837 AWMQGUKCFXDSQQ-VXGBXAGGSA-N 210.321 0.661 30 20 BCED C=CCOCCN1C[C@H]2[C@H](N(C)C)[C@H]2C1 931277740 OFBKOZIFVJYRQX-GDNZZTSVSA-N 210.321 0.681 30 20 BCED C#CCCN1CC[C@H](NC(C)=O)C[C@@H]1C 946942516 PSYIGDSFQAADQV-JQWIXIFHSA-N 208.305 0.999 30 20 BCED C#CCN1CC[C@H](NC(=O)c2cn[nH]c2)C[C@@H]1C 947093528 DKBFZRNOSQXPNR-JQWIXIFHSA-N 246.314 0.626 30 20 BCED N#CCN1CCN(C(=O)C2C=CC=CC=C2)CC1 948571582 YTIBRVWAPOQAAJ-UHFFFAOYSA-N 243.310 0.953 30 20 BCED C=CCN1C[C@H]2[C@H](NC(=O)c3oncc3C)[C@H]2C1 962193619 SGILKOKJFCHPGK-URLYPYJESA-N 247.298 0.829 30 20 BCED C=CCN1CC([C@@H](C)NC(=O)c2ncccn2)C1 970623775 ZRLICBXUODCFEU-SNVBAGLBSA-N 246.314 0.713 30 20 BCED C#CCN[C@@H]1CCC[C@H](NC(=O)C(F)F)C1 980835958 GTZMEUAWNNGSBE-BDAKNGLRSA-N 230.258 0.902 30 20 BCED C[C@@H](C#N)C(=O)N1CC(NC(=O)c2ccco2)C1 990078780 RQPIGPACMNJYKS-QMMMGPOBSA-N 247.254 0.380 30 20 BCED C=CCN1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 1014357525 PGQJXSVYUODESY-SNVBAGLBSA-N 234.303 0.708 30 20 BCED C=CCN1CC[C@H](NC(=O)Cc2cnoc2)C1 1015598509 PXYIBWPUEZYXLM-NSHDSACASA-N 235.287 0.594 30 20 BCED C=C(C)CN1CC[C@H](NC(=O)c2ccncn2)C1 1015879632 YIGZKKCHHYAJNW-NSHDSACASA-N 246.314 0.857 30 20 BCED C=CCN[C@H]1C[C@@H](NC(=O)[C@H]2CO[C@@H](C)C2)C1 1022320421 XXSKBJYKSIPBFZ-WHOHXGKFSA-N 238.331 0.834 30 20 BCED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cocn1 1037342148 GROILIQBTWUWKG-MIMYLULJSA-N 231.255 0.110 30 20 BCED Cc1cc(C(=O)NC[C@@H]2CCN2CC#N)nn1C 1038109138 WKANVOVPADYZSY-JTQLQIEISA-N 247.302 0.056 30 20 BCED C=CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 1038720363 RGANLEAUOFQDMQ-GRYCIOLGSA-N 238.331 0.930 30 20 BCED C=CCN1CC(N(C)C(=O)[C@@]23COC[C@@H]2C3)C1 1042754457 TYMXAQNOBNOQPO-GWCFXTLKSA-N 236.315 0.352 30 20 BCED CC#CCN1CC(N(C)C(=O)c2ccn(C)n2)C1 1044293673 GJOFJCXFBGTVEV-UHFFFAOYSA-N 246.314 0.200 30 20 BCED N#CCN1C[C@H]2CN(C(=O)C3CC=CC3)C[C@H]2C1 1048736107 BHEWWRBMBWLZLZ-BETUJISGSA-N 245.326 0.866 30 20 BCED C#CCN1CCC[C@H](NC(=O)c2cn[nH]c2)CC1 1052228376 APUXDSGSNYBCBO-LBPRGKRZSA-N 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C#CCNCC(=O)N[C@H](C)c1ncc(C)s1 126140603 YCFGEESBUGPVEH-SECBINFHSA-N 237.328 0.852 30 20 BCED N#CCSCC(=O)N1CCC[C@@H]1CCO 336678762 IHKMJDVRJZXQJK-SECBINFHSA-N 228.317 0.617 30 20 BCED C#CCN(CC#CC)CC(=O)NCC(F)(F)F 490678291 NBIUBTMYCQEYHF-UHFFFAOYSA-N 246.232 0.623 30 20 BCED C=CCNC(=O)CNC(=O)N[C@@H](C)CCOC 180556369 RPZPMZUQDIIZIG-VIFPVBQESA-N 243.307 0.013 30 20 BCED CC[C@H](C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 44932888 XGXSMVHUDDEHBJ-SCZZXKLOSA-N 244.316 0.230 30 20 BCED C=CCNC(=O)CNC(=O)CCCOC(C)C 183939558 TYIIOBTYTGBVIM-UHFFFAOYSA-N 242.319 0.610 30 20 BCED CC#CCCN1CC[C@H](C)C[C@@H]1C(N)=O 187432775 BLVTZUHELPDYOC-WDEREUQCSA-N 208.305 0.986 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(=O)n(C)n1 413264906 IRACWPPYGKRWJX-MFKMUULPSA-N 249.314 1.173 30 20 BCED CC#CCN(C)C[C@H](O)CO[C@@H](C)COC 339755114 WCRCMPPKSYUKJK-RYUDHWBXSA-N 229.320 0.354 30 20 BCED CC#CCNC(=O)NC[C@@H]1CCC[C@@H](N)C1 418723010 NIHIMVLNUUFDFU-GHMZBOCLSA-N 223.320 0.826 30 20 BCED CCN(CC)CC(=O)N1CCOC[C@H]1C#N 81738960 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CS[C@H](C)CNC(=O)N1CCO[C@@H](C#N)C1 133802360 QSGSIROFUHMUPK-BDAKNGLRSA-N 243.332 0.672 30 20 BCED O/C(Cn1cnnc1O)=N/[C@H]1CCCOC1 329567978 HXLNNQVRVZTQRQ-ZETCQYMHSA-N 226.236 0.119 30 20 BCED O/C(=N/CCn1cncn1)[C@@H]1[C@@H]2CCCO[C@@H]21 329533199 XUGOXJQXFZSYOY-AEJSXWLSSA-N 236.275 0.660 30 20 BCED C[C@@H](C#N)CN(C)C(=O)CC(=O)NCC1CC1 427819243 RLGDVJVQLUVLPE-VIFPVBQESA-N 237.303 0.521 30 20 BCED CN(/C(O)=N/CC[C@H]1CCOC1)C1CC(O)C1 329586481 ROMFNEVOQLPYFM-WHXUTIOJSA-N 242.319 0.782 30 20 BCED C[C@@H](C#N)CN(C)C(=O)[C@@H]1COCCO1 49832681 RISGNDKOORFSOJ-IUCAKERBSA-N 212.249 0.020 30 20 BCED Cn1nncc1/C(O)=N/C[C@]1(C)CCOC1 328849544 WFPBHNWZDNOWRU-JTQLQIEISA-N 224.264 0.546 30 20 BCED C=C(C)CS(=O)(=O)N(C)[C@@H]1CCC[C@H]1O 335646445 VLNHLENALPMCKA-NXEZZACHSA-N 233.333 0.738 30 20 BCED COC(=O)[C@H]1CC[C@@H](N/C(O)=N/CCF)C1 331246149 RTTBHASJUKPAKK-JGVFFNPUSA-N 232.255 0.801 30 20 BCED C[C@H]1C[C@H](C(=O)O)CCC1=NNCC(=O)O 382017415 OVKYQJWTERDSPZ-NKWVEPMBSA-N 228.248 0.537 30 20 BCED Cc1ncccc1/C(O)=N/Cc1nnn(C)n1 331132912 BMQAVXKSMZQVDE-UHFFFAOYSA-N 232.247 0.418 30 20 BCED C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1nc[nH]n1 333434544 VCXOKDVPGWZBBU-XHNCKOQMSA-N 248.290 0.857 30 20 BCED C=C(C)CNC(=O)[C@]1(C)CCCNC1=O 336102266 DRPLWPQZIJMZGT-LLVKDONJSA-N 210.277 0.595 30 20 BCED COC(=O)CN(CC#N)Cc1nccc(C)n1 339666052 PLCDBXZIEKIWDE-UHFFFAOYSA-N 234.259 0.284 30 20 BCED COCC(C)(C)N/C(O)=N/Cc1nccn1C 330942657 ZXISBOJXLIBWDV-UHFFFAOYSA-N 240.307 0.849 30 20 BCED CCNC(=O)CC(=O)N(CC)CCC#N 332433317 CHMKXMHBNIJGLI-UHFFFAOYSA-N 211.265 0.275 30 20 BCED C=CCCNC(=O)CS(=O)(=O)CC 617614959 VZIWQQQJIVHQGZ-UHFFFAOYSA-N 205.279 0.113 30 20 BCED CC[C@H](C#N)NC(=O)c1c[nH]nc1[C@H]1CCOC1 332390552 REWLHIHLPLAWGM-DTWKUNHWSA-N 248.286 0.946 30 20 BCED CCC1(N/C(O)=N/Cc2nnn(C)n2)CCC1 330245516 XTAQIPHQJRNHDM-UHFFFAOYSA-N 238.295 0.546 30 20 BCED C#CCNC(=O)[C@@H](C)N1CCC[C@@](C)(O)CC1 230376443 RHVRQEPSGXBAHI-DGCLKSJQSA-N 238.331 0.361 30 20 BCED CC[C@H]1C(=O)N(CC)CCN1C(=O)[C@@H](C)C#N 336599061 GXIQQDNZTUSINN-UWVGGRQHSA-N 237.303 0.615 30 20 BCED COc1cnc(C(=O)N[C@@H](C)CC#N)nc1 339509714 URXRPRJNMMIROD-ZETCQYMHSA-N 220.232 0.517 30 20 BCED C=CCOCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 339119548 SCGYCHLAKIDNTI-SDDRHHMPSA-N 238.331 0.775 30 20 BCED N#C[C@H]1CN(c2cccc(C(=O)O)n2)CCO1 93935633 DGIYNOOBAJSYIM-QMMMGPOBSA-N 233.227 0.509 30 20 BCED N#Cc1ccncc1C(=O)NCCCO 341708033 MUFDDVXCXVBLRQ-UHFFFAOYSA-N 205.217 0.065 30 20 BCED C[C@H](C#N)CN(C)[C@H](C)c1nncn1C 346863492 CQYQQUHKQWNLPH-RKDXNWHRSA-N 207.281 0.968 30 20 BCED C=CC[C@@H](CO)CNC(=O)c1csnn1 342219242 YHTSLVVKYNAWET-SSDOTTSWSA-N 227.289 0.453 30 20 BCED N#Cc1n[nH]cc1NC(=O)[C@H]1CCCO1 602358676 KQCQZVOYCIGXKG-MRVPVSSYSA-N 206.205 0.399 30 20 BCED CC1(C)CN(c2cccc(C#N)n2)C[C@@H](CO)O1 163103585 MQWGASFKPYLKDZ-NSHDSACASA-N 247.298 0.929 30 20 BCED CCC[C@](C)(CC)C(=O)NCC(=O)NCC#N 344186464 VDJURXZGSDEQAT-LBPRGKRZSA-N 239.319 0.959 30 20 BCED C=CCOCC(=O)N[C@@H](CCC)c1nn[nH]n1 343765150 NQEUMFBPQCDMFO-QMMMGPOBSA-N 239.279 0.360 30 20 BCED N#Cc1cc(=NCCn2ccccc2=O)cc[nH]1 342114337 RMRFHDLMKNQYHD-UHFFFAOYSA-N 240.266 0.649 30 20 BCED CC(C)CCNC(=O)CNc1ccc(C#N)cn1 345585016 MFILBHLWIYIKDY-UHFFFAOYSA-N 246.314 1.527 30 20 BCED C=CCN(CCC#N)C(=O)CCCc1nn[nH]n1 602151762 CZZUIQNQWJFZJW-UHFFFAOYSA-N 248.290 0.451 30 20 BCED CC(C)[C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 345877148 POTQXMWFMQUHOR-SNVBAGLBSA-N 235.287 0.881 30 20 BCED CCCCc1noc(Cn2cc(C#N)nn2)n1 603333303 LZDIKDDMQOJGNX-UHFFFAOYSA-N 232.247 0.924 30 20 BCED CC[C@@H](C)N/C(N)=N/CCc1cnn(C)c1 264087041 JWGYEHUOMXKTLR-SECBINFHSA-N 223.324 0.665 30 20 BCED C/N=C(\NC)N[C@@H]1CN(C2CC2)C[C@@H]1C 261653247 AFHFAXXWHGFNQG-WCBMZHEXSA-N 210.325 0.264 30 20 BCED Cc1ccc([C@@H](O)C/N=C2/NC[C@H](C)N2)cc1 262683004 XBBSDZAYLASCDX-JQWIXIFHSA-N 233.315 0.966 30 20 BCED C=C[C@@H](C)NC(=O)NCC1([S@](C)=O)CC1 441091878 OBQRNSUMCFQVAX-GLEZIHRCSA-N 230.333 0.771 30 20 BCED C=C[C@@H](O)C(=O)N[C@@H](CO)c1ccccc1C 613219402 SJCHCMCKECELJM-NWDGAFQWSA-N 235.283 0.692 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](c1nncn1C)C(C)C 614691393 IHGCUWKKNVLADY-DTWKUNHWSA-N 238.291 0.175 30 20 BCED C=CCn1c(O)nnc1SC[C@@H](O)CC#N 352160952 RHAJGJBVJLQTJO-ZETCQYMHSA-N 240.288 0.536 30 20 BCED CN1CC[C@H](C(=O)Nc2cccc(C#N)c2)C1=O 613865881 VHUHSXTYOCBZAR-LLVKDONJSA-N 243.266 0.975 30 20 BCED C=C[C@](C)(O)C(=O)N1CCn2nccc21 614596815 WCPUSVFUGVDBNQ-JTQLQIEISA-N 207.233 0.167 30 20 BCED C=C[C@H](C)NC(=O)C(=O)NCC(F)F 444300821 JOOACORDOMDQJO-YFKPBYRVSA-N 206.192 0.058 30 20 BCED N#CCC(=O)NCc1ccc(-n2cncn2)cc1 358593563 BFRCXQDLIXAHOS-UHFFFAOYSA-N 241.254 0.797 30 20 BCED Cn1cc([C@@H](O)CNc2ccc(C#N)cn2)cn1 266200687 DHWJXPYQWLBJEF-NSHDSACASA-N 243.270 0.832 30 20 BCED C=C(C)CN(CC(N)=O)Cc1ccc(CO)o1 352807128 WFBVHSYXJBZYLK-UHFFFAOYSA-N 238.287 0.635 30 20 BCED C=C[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C 356743889 MAHLRWRJBDMTLL-LURJTMIESA-N 224.220 0.633 30 20 BCED Cc1cc(NC[C@](C)(O)C(=O)O)cc(C#N)n1 263569531 ZLPOIQFCFOZORU-NSHDSACASA-N 235.243 0.509 30 20 BCED CC[C@@H]1CC[C@@H](C(=O)n2ncc(C#N)c2N)O1 268235851 MBUQCTCPBCORNM-BDAKNGLRSA-N 234.259 0.935 30 20 BCED C[C@@H](Cn1ccnc1)NC(=O)c1cc(C#N)c[nH]1 267095740 NRGOXONIGJOFJC-VIFPVBQESA-N 243.270 0.901 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@@H](CC)CCO 612234108 HTHOBSPGYXYKNA-GXSJLCMTSA-N 215.293 0.448 30 20 BCED CC(C)[C@H](C#N)NC(=O)C(=O)c1cccn1C 362761580 ZTTOFGGKFYPDRI-VIFPVBQESA-N 233.271 0.872 30 20 BCED C=C[C@H](O)C(=O)NC[C@@H]1CCO[C@@H](C)C1 613215088 GBSMDUXTPZGQSN-AEJSXWLSSA-N 213.277 0.465 30 20 BCED C=C(C)CS(=O)(=O)N1CCC[C@H](C(=O)O)C1 263478373 KBOGATKWWAFXCD-VIFPVBQESA-N 247.316 0.689 30 20 BCED C=C[C@](C)(O)C(=O)NCC1(CO)CCCC1 613599853 XMZNGNYFXWSJHX-NSHDSACASA-N 227.304 0.592 30 20 BCED C=C[C@@H](C)NC(=O)[C@@H](CCC)S(N)(=O)=O 612266967 OHLUTUWJJHUROP-HTQZYQBOSA-N 234.321 0.134 30 20 BCED C=C(C)[C@@H](CC(=O)N1CCOCCN1)OCC 615499990 ZXKSBPFLYAQUNO-LLVKDONJSA-N 242.319 0.721 30 20 BCED C[C@H](C#N)CNC(=O)N[C@@H]1C[C@@H](O)C1(C)C 548657505 QAJBSVPTRRFVRQ-IWSPIJDZSA-N 225.292 0.605 30 20 BCED C=C[C@@H](O)C(=O)NCc1nnc(C)s1 613363865 IGHZXTVOEBGJJI-ZCFIWIBFSA-N 213.262 0.010 30 20 BCED C=C[C@@H](O)C(=O)N[C@@H](CO)Cc1ccc(C)cc1 613843369 CNZYOQXDJLIDIP-CHWSQXEVSA-N 249.310 0.562 30 20 BCED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1COCCO1 618225707 JTIAJMSEAOPVPL-ZYHUDNBSSA-N 243.303 0.187 30 20 BCED CN(C)C[C@H]1CCN(C(=O)NCCCC#N)C1 362072591 OWNJNXOZJVCDOZ-LLVKDONJSA-N 238.335 0.883 30 20 BCED CC[C@H](C)N/C(N)=N/CC1=CCN(C)CC1 271794616 JSNQVOJKHPXNJA-JTQLQIEISA-N 224.352 0.951 30 20 BCED C=CCC[C@H](CO)NC(=O)Nc1ccnnc1 459626286 JPYUAAWCOIGMDQ-SNVBAGLBSA-N 236.275 0.925 30 20 BCED CCC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 546679852 JTXFKKLIXAIBRZ-HLTSFMKQSA-N 224.260 0.604 30 20 BCED C=C[C@@](C)(CCOC)C(=O)N(C)CC(=O)NC 275465506 NTOOQQGKXLBEEG-LBPRGKRZSA-N 242.319 0.420 30 20 BCED C[C@@](O)(CCN=C(N)N)c1ccccc1 275032229 CLUKELJLHGUPIU-LLVKDONJSA-N 207.277 0.558 30 20 BCED C#CCCCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 365220306 GHMKDCMDMAPTAE-DMDPSCGWSA-N 248.326 0.902 30 20 BCED 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228.292 0.953 30 20 BCED C#CCNC(=O)[C@H](C)N1CCn2cccc2C1 932530976 SITIXMJAJQUQIA-NSHDSACASA-N 231.299 0.442 30 20 BCED N#C[C@@]1(F)CCN(C(=O)COC(F)(F)F)C1 935576593 YYOAJJBUQFUBLE-ZETCQYMHSA-N 240.156 0.987 30 20 BCED C=CCCN1CCN(C(=O)c2ccncn2)CC1 952332532 UWRFPNZDTYJBCG-UHFFFAOYSA-N 246.314 0.811 30 20 BCED C#CCN1CCCN(C(=O)[C@@H](C)OC)CC1 980784154 UIDYQXSALOYZBC-LLVKDONJSA-N 224.304 0.189 30 20 BCED Cc1nc(C(=O)N2CC[C@H](NCC#N)[C@H]2C)co1 986189281 JJKXCIHRPCMWKV-SCZZXKLOSA-N 248.286 0.699 30 20 BCED C=CCN[C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C 987606296 WFSMVAJEHOZNIC-NWDGAFQWSA-N 248.330 0.648 30 20 BCED CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C 993660587 NTFOSEBUZFUMNC-FXPVBKGRSA-N 237.303 0.377 30 20 BCED C=C(C)CN[C@H]1CCCN(C(=O)COC)C1 998310903 FNFBIVIPIAXQCQ-NSHDSACASA-N 226.320 0.790 30 20 BCED C#CCNC1CC(N(C)C(=O)c2ccsn2)C1 998967167 PTTYTSUNJOCTOL-UHFFFAOYSA-N 249.339 0.969 30 20 BCED C#CCN[C@H]1CCN(C(=O)Cn2nccc2C)C1 1019448566 CLCBQQHIGOMTEZ-LBPRGKRZSA-N 246.314 0.015 30 20 BCED C=C(C)CN[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 1022867823 GRNBNKLUERXIMJ-DTORHVGOSA-N 235.291 0.231 30 20 BCED C#CCCN1CC(NC(=O)c2ccc(C)n2C)C1 1030100848 IYZYFPVXJSWKEO-UHFFFAOYSA-N 245.326 0.771 30 20 BCED CC#CCN1CC(CNC(=O)[C@H]2CCCO2)C1 1031531943 HVQWANMOEDCIRC-GFCCVEGCSA-N 236.315 0.237 30 20 BCED C=CCN1CC(CNC(=O)c2cnns2)C1 1031561253 DSPUPSFKIAXDJH-UHFFFAOYSA-N 238.316 0.386 30 20 BCED C#CCN1CC(CNC(=O)c2cc(C)[nH]n2)C1 1031563137 DCHUOJMYRJYUJS-UHFFFAOYSA-N 232.287 0.013 30 20 BCED C=CCN1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 1038106551 YTBAFWWOAYNRHL-JTQLQIEISA-N 234.303 0.708 30 20 BCED C=CCN1CC[C@@H]1CNC(=O)c1cnnc(O)c1 1038380694 FYUZMJXGTIMCCM-SNVBAGLBSA-N 248.286 0.172 30 20 BCED CC#CCN1CC[C@@H]1CNC(=O)c1ccsn1 1038395961 VRIYHEZXBZGLGA-SNVBAGLBSA-N 249.339 0.971 30 20 BCED CC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ccncc1C#N)C2 1064203683 YCGJKWRMFYOECY-ZWKOPEQDSA-N 242.282 0.666 30 20 BCED C#CCN1C[C@@H](NC(=O)C(F)F)CC[C@H]1C 1071289150 SBZZNEJXTLMIHA-BDAKNGLRSA-N 230.258 0.854 30 20 BCED 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C#Cc1ccc(N2CCN(C(=O)OC)CC2)nc1 1120803692 BAHRCRTVVXXUBJ-UHFFFAOYSA-N 245.282 0.951 30 20 BCED CC(C)NC(=O)[C@H](C#N)C(=O)c1ccsn1 1122546911 DKJMUUBHMSWWAT-SSDOTTSWSA-N 237.284 0.990 30 20 BCED COC[C@H](C)[C@H](C)C(=O)NCCNCC#N 1129148562 JZPORBZLXXEXBG-UWVGGRQHSA-N 227.308 0.134 30 20 BCED C#CCN1C[C@@H](NC(=O)CCOC)CC[C@H]1C 1131736224 WPYADSBKYWPDEC-NEPJUHHUSA-N 238.331 0.625 30 20 BCED CC#CCNCCNC(=O)C[C@@H](C)n1ccnc1 1134517433 HEFQAHRDHIKINF-GFCCVEGCSA-N 248.330 0.563 30 20 BCED C#CCNCCCNC(=O)CCCF 1164057704 NSTIQOOTWANELT-UHFFFAOYSA-N 200.257 0.465 30 20 BCED C=C(C)CCC(=O)NC1CCN(CCO)CC1 1227607019 HWRKYFVZHJRFBR-UHFFFAOYSA-N 240.347 0.916 30 20 BCED C#CCN1CC[C@H]1CN(C)C(=O)[C@H](O)C(C)C 1234061091 WZGQBCLYKCCWDK-NWDGAFQWSA-N 238.331 0.169 30 20 BCED N#Cc1c[nH]c(C(=O)N2C[C@H]3C[C@]3(CO)C2)c1 1255474384 RJCBXYSLQKPMLY-BXKDBHETSA-N 231.255 0.341 30 20 BCED C=C(CC)CNC(=O)C(=O)N1CCC[C@H]1CO 1261412062 SZUQRYAQEBGFMC-JTQLQIEISA-N 240.303 0.052 30 20 BCED C#CCOCCC(=O)NCc1cc(C)cnc1O 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225.313 0.243 30 20 BCED C#CCN(CC#N)c1nnnn1C1(C)CCC1 1335415343 HDHKCVBVQVKSNY-UHFFFAOYSA-N 230.275 0.535 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1F 1337446968 MKEAJSISNSKIIR-ZKWXMUAHSA-N 200.213 0.389 30 20 BCED C#Cc1ccc(N2CCS(=O)(=O)CC2)nc1 1337768375 FWENOCRCZGHDBK-UHFFFAOYSA-N 236.296 0.298 30 20 BCED C#CCCNC(=O)C(=O)Nc1cc(C)ccn1 1337808289 GHTAFQZCYKZDMJ-UHFFFAOYSA-N 231.255 0.468 30 20 BCED N#Cc1ccc(C(=O)NCc2nc(=O)o[nH]2)cc1 1341052829 UNDLPAQPNAAGES-UHFFFAOYSA-N 244.210 0.165 30 20 BCED C[C@H](C#N)C(=O)N1CCC(CCC(N)=O)CC1 1341494720 XWQNAZXPOOAWJV-SECBINFHSA-N 237.303 0.650 30 20 BCED N#C[C@@H](C(=O)NC1CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1343591980 YUZUHXOBMPWEND-DBIOUOCHSA-N 248.282 0.541 30 20 BCED C=C[C@@H](O)C(=O)NC[C@@H]1CCCCN1C 1347500964 FGTTYGIMBKHOEG-VHSXEESVSA-N 212.293 0.134 30 20 BCED C[C@]1(OC(=O)CCCC#N)CNC(=O)C1 1348638662 TYOOGCJVTNCGOH-SNVBAGLBSA-N 210.233 0.502 30 20 BCED C=C[C@H](CO)NC(=O)c1nc(C)cs1 1350501808 OWSKJGPZHNBTQK-SSDOTTSWSA-N 212.274 0.728 30 20 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30 20 BCED C#CCCCNC(=O)NCc1nnc2n1CCC2 742711953 OMGFVJCAUOQSTD-UHFFFAOYSA-N 247.302 0.437 30 20 BCED C#CCN1CCN(C(=O)C(=O)C(C)(C)C)CC1 746257672 BUGFWFDINTWCLC-UHFFFAOYSA-N 236.315 0.379 30 20 BCED CN(C)C(=S)NN=Cc1cnc2cnccn12 746372520 QIRUKRBCDPGMGM-UHFFFAOYSA-N 248.315 0.499 30 20 BCED COC[C@H](C#N)OC(=O)c1cnc(C)nc1C 751595258 HNJGZHSIWPXRCP-VIFPVBQESA-N 235.243 0.789 30 20 BCED C#CCOCCNC(=O)N=c1cc(C)[nH]cc1C 752772457 DMAHPCPRXUYREP-UHFFFAOYSA-N 247.298 0.892 30 20 BCED C#C[C@H](CC)NC(=O)NCC[S@@](C)=O 753137885 HHSZPPVDLYDOKH-XLKFXECMSA-N 216.306 0.076 30 20 BCED C#CC(=O)N1CCN(c2nc(C)cs2)CC1 753968669 OHFVMLVONWIBAY-UHFFFAOYSA-N 235.312 0.733 30 20 BCED C#CC(=O)NCC[S@](=O)Cc1ccccc1 754017651 KZDJCMRKOJZAMJ-INIZCTEOSA-N 235.308 0.685 30 20 BCED C#CC(=O)N1CCN(c2ncc(C)s2)CC1 754042196 YJBHNGBVXIHULO-UHFFFAOYSA-N 235.312 0.733 30 20 BCED C=CCCC(C)=NNCCS(C)(=O)=O 758122837 MFELFUBCXLUNOM-UHFFFAOYSA-N 218.322 0.963 30 20 BCED C#CCNC(=S)NC1CCC(C)(O)CC1 758242848 ZCNSEKIMFWNISV-UHFFFAOYSA-N 226.345 0.777 30 20 BCED C#C[C@@H](C)NC(=O)c1nccn2cc(C)nc12 762274691 GAKZVNOMXYBOIB-MRVPVSSYSA-N 228.255 0.789 30 20 BCED C=C(CN(C)C)C(=O)NO[C@H]1CCCCO1 764474859 JJHOQLIKELYNCH-JTQLQIEISA-N 228.292 0.679 30 20 BCED CC(CC1CCOCC1)=NNS(C)(=O)=O 764708908 WATVBLMKEXQRJR-UHFFFAOYSA-N 234.321 0.728 30 20 BCED C#Cc1ccc(C(=O)N2CC(C)(O)C2)nc1 765449628 IQAPGESGUJXWTR-UHFFFAOYSA-N 216.240 0.270 30 20 BCED C1C[C@@H]2C(=NN3CCOCC3)CCN2C1 765549252 SXBATIMXALJAGO-LLVKDONJSA-N 209.293 0.543 30 20 BCED C=CCNC(=S)N1CCC[C@@](C)(O)C1 766718526 ZERDYUBWISIPSV-SNVBAGLBSA-N 214.334 0.894 30 20 BCED C[C@H]1[C@@H](C)N(C)CCN1CC(=O)NCCC#N 771463833 ZRPZJBJXUJAMEJ-MNOVXSKESA-N 238.335 0.041 30 20 BCED C#C[C@H](C)NC(=O)N1CCC[C@@H]1COC 773591870 XYKBJJXCABVPEN-VHSXEESVSA-N 210.277 0.829 30 20 BCED CCOCCON=C(C)CS(C)(=O)=O 774413662 DOSCYSBWKFASSZ-UHFFFAOYSA-N 223.294 0.460 30 20 BCED CC(C)=CC(=O)NS(=O)(=O)CC(C)(C)C#N 776136701 OBVGYXKSKZMDLW-UHFFFAOYSA-N 244.316 0.948 30 20 BCED CCNC(=O)CCC(=O)N=C1C[C@H](C)ON1 777435225 FTMWLEYAUDMFNC-ZETCQYMHSA-N 227.264 0.141 30 20 BCED COCCn1cc(C=NN[C@@H](C)COC)cn1 777891692 RIZTXXUBQHFSCM-JTQLQIEISA-N 240.307 0.488 30 20 BCED C[C@@H]1CN=C(NN=C2CCN3CCC[C@H]23)N1 779792200 QAFVCJHFEOQNBY-PSASIEDQSA-N 221.308 0.148 30 20 BCED C#CCOCCC(=O)OCc1ccn(C)n1 780510217 XLJORDGYMHXXCQ-UHFFFAOYSA-N 222.244 0.503 30 20 BCED C#CCNC(=O)COC(=O)[C@]1(C)CCCOC1 781284230 HJZAWPRLYMHIFT-GFCCVEGCSA-N 239.271 0.096 30 20 BCED O=C(NO)c1ccc(N2CCOCC2)c(F)c1 782173630 VWEWTXWBIBGVCI-UHFFFAOYSA-N 240.234 0.781 30 20 BCED CCNC(=O)CC(=O)OCCC(C)(C)C#N 782345419 DSHZABPHLHYZGC-UHFFFAOYSA-N 226.276 0.996 30 20 BCED O=C(C#Cc1ccccc1)N1C[C@@H]2C[C@@]2(CO)C1 783794369 PGUBQCKCTFSIIK-ZFWWWQNUSA-N 241.290 0.879 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1c(C)ccn1C 784288669 DEMHGPWEJYQIGO-JTQLQIEISA-N 248.282 0.628 30 20 BCED C#CCOCCNC(=O)N(C)CC(=C)C 784544295 HKNFDZCFWVPNNP-UHFFFAOYSA-N 210.277 0.854 30 20 BCED N#C[C@@]1(F)CCN(c2ccnc(C(N)=O)c2)C1 786093208 LCWAMJKNGACYLW-NSHDSACASA-N 234.234 0.622 30 20 BCED N#CCOC(=O)CCOc1ccc(C(N)=O)cc1 786125967 NVXZLSNIQJCTKN-UHFFFAOYSA-N 248.238 0.621 30 20 BCED C[C@H](C#N)OC(=O)CNc1ccc(C(N)=O)cc1 786278964 OAKJQCNDOMPBTO-MRVPVSSYSA-N 247.254 0.653 30 20 BCED C[C@@H]1COCCCN1C(=O)NCCC#N 787355860 QYCGEWWMHDKVQG-SECBINFHSA-N 211.265 0.720 30 20 BCED C[C@@H](OC(=O)C1(C#N)CCC1)c1nnnn1C 787709641 LEOAGEZLIVDDCS-SSDOTTSWSA-N 235.247 0.508 30 20 BCED COCCON=C1CCC[C@@H](S(C)(=O)=O)C1 788434908 XXQOVBDJSHIPNX-SNVBAGLBSA-N 249.332 0.993 30 20 BCED CC(=NN[C@H]1CCOC1)c1nccnc1C 788458050 YMODUWIWYGMGAR-JTQLQIEISA-N 220.276 0.888 30 20 BCED C[C@@H]1CCC[C@@](C#N)(NC(=O)C2=NNC(=O)C2)C1 791367415 QHRMOQRAGKWPEO-PRHODGIISA-N 248.286 0.451 30 20 BCED C=C(Cl)COC(=O)CCNC(=O)NC 795626998 YMDYNNNKQPEPCZ-UHFFFAOYSA-N 220.656 0.601 30 20 BCED C#C[C@H](NC(=O)c1coc(C)n1)[C@H]1CCCO1 802600377 RKXMFXPNWNVGBO-GXSJLCMTSA-N 234.255 0.894 30 20 BCED C[C@@H](C#N)OCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 802725995 CNJQCKZMFJHNSW-GARJFASQSA-N 248.282 0.866 30 20 BCED C#CCCNC(=O)[C@H]1CCCC12OCCO2 806855361 JKCREWMEQDSENM-SNVBAGLBSA-N 223.272 0.669 30 20 BCED C#CCC(C)(C)C(=O)N[C@@H](CCC)C(N)=O 809060253 WWBFFZWCLGPOOV-VIFPVBQESA-N 224.304 0.806 30 20 BCED CON=CC(=O)NCC1([C@@H](O)C(C)C)CC1 809749804 RSIGQPWXNXWVDE-JTQLQIEISA-N 228.292 0.532 30 20 BCED C#CCC[C@H](O)CNC(=O)C[C@](C)(O)C=C 811492760 BKUBNZXOGALWNL-CMPLNLGQSA-N 225.288 0.204 30 20 BCED CC[C@@H](O)CNN=Cc1ncc(Cl)n1C 811655307 KXABPJXWMVRILF-SSDOTTSWSA-N 230.699 0.768 30 20 BCED CC(C)c1nnnn1CCOCCC#N 814745012 FAHZBWUZJZKWAR-UHFFFAOYSA-N 209.253 0.727 30 20 BCED CC(=NNC1=NC[C@@H](C)N1)c1cccc(CO)c1 814897806 NBSFIMNAGMWLKK-SECBINFHSA-N 246.314 0.840 30 20 BCED C[C@@H](O)CNN=Cc1c[nH]nc1-c1cccnc1 814964231 XVCUJMUMNYXKND-SECBINFHSA-N 245.286 0.776 30 20 BCED C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 815121581 WPGGGBLEFVWWTQ-URLYPYJESA-N 225.288 0.540 30 20 BCED CCNC(=O)CCOC(=O)c1c[nH]c(C#N)c1 816118521 RJFNBJGIXGUQPI-UHFFFAOYSA-N 235.243 0.569 30 20 BCED N#CC1CN(C(=O)c2ccc(C(N)=S)cc2)C1 817547152 UPFRENCZFXTVQZ-UHFFFAOYSA-N 245.307 0.916 30 20 BCED CC(C)C[C@@H](NC(=O)[C@@H](C)C#N)C(=O)O 817858711 PXECAYOTBAGRRX-JGVFFNPUSA-N 212.249 0.762 30 20 BCED C[C@@](C#N)(CC(=O)O)C(=O)N1CC(C(F)F)C1 819811130 KMUSZKRQJDWVJP-JTQLQIEISA-N 246.213 0.714 30 20 BCED C[C@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)O 820130203 XSHMIIQPZFWJBF-YFKPBYRVSA-N 207.189 0.089 30 20 BCED C[C@@H](CO)NN=Cc1ccc(-c2nn[nH]n2)cc1 820287381 LHDKKQNOERHADZ-QMMMGPOBSA-N 246.274 0.171 30 20 BCED C#CCN1CCC(C(=O)Nc2[nH]nnc2C)CC1 820365109 ZITSEPBDQOUDTC-UHFFFAOYSA-N 247.302 0.397 30 20 BCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(OC)OC 822638086 RWIQHROVIIREHF-UWVGGRQHSA-N 243.303 0.703 30 20 BCED C[C@H](C#N)CNc1cnccc1-c1nn[nH]n1 824034976 RCHRPDRAAXZAMT-SSDOTTSWSA-N 229.247 0.833 30 20 BCED C=CCCONC(=O)c1ccnc(OC)n1 825557360 XUBDHUJSGGWYIN-UHFFFAOYSA-N 223.232 0.723 30 20 BCED C#CCOCCNC(=O)[C@H](O)CCCCC 829121868 YFZNYIZYLXDSLH-LLVKDONJSA-N 227.304 0.694 30 20 BCED COC[C@H](C#N)OC(=O)[C@H]1CCC(=O)C1 830897798 VYNLICIAAIUPSN-CBAPKCEASA-N 211.217 0.437 30 20 BCED C=CCCOCCNC(=O)[C@H]1CCCN1C=O 831224927 VIZQNBKRIUJIPG-LLVKDONJSA-N 240.303 0.316 30 20 BCED C[C@@H](CC#N)NN=Cc1cccn1CC(=O)O 833515859 NPKAMYQWQXWWSO-VIFPVBQESA-N 234.259 0.798 30 20 BCED C#CCSCCOC(=O)[C@H](C)NC(=O)CC 835440768 YUXMVNJZUBAPIP-VIFPVBQESA-N 243.328 0.811 30 20 BCED C#CCCNC(=O)NCc1ncccc1OC 836300742 FTBIHODATMGPSV-UHFFFAOYSA-N 233.271 0.913 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)COCC 838002419 WNZWQKJHZIDXKJ-MNOVXSKESA-N 242.271 0.726 30 20 BCED C=CCONC(=O)NC[C@@H](O)COCC(C)C 838703777 KJQSFOCSNVLLDF-SNVBAGLBSA-N 246.307 0.437 30 20 BCED C=CCN(CCN1C(=O)N[C@@H](C)C1=O)C(C)C 838794144 USGKNSSGBXZAEI-JTQLQIEISA-N 239.319 0.823 30 20 BCED C#C[C@@H](C)NC(=O)[C@H]1CCc2cncn2C1 844137826 AUPOOGMYWZARSW-ZJUUUORDSA-N 217.272 0.583 30 20 BCED C=C(C)CONC(=O)N[C@@H](CC)CO 844283591 AKMZKZHIPAXYBE-QMMMGPOBSA-N 202.254 0.564 30 20 BCED C=C(C)CONC(=O)NC[C@H](O)C1CC1 845594955 AXGGTBSHALBSPH-VIFPVBQESA-N 214.265 0.564 30 20 BCED C=C[C@H](C)ONC(=O)N[C@@H]1CCN(C)C1=O 845625799 PBSUYGJTBRSECI-JGVFFNPUSA-N 227.264 0.022 30 20 BCED C=CCC(CC=C)C(=O)NCC(=O)NOCC 846494437 ROUSXXYAZQHHJR-UHFFFAOYSA-N 240.303 0.939 30 20 BCED C=C[C@@H](C)ONC(=O)c1ccoc1CC(N)=O 846552325 FSGGUFATPAYLIZ-SSDOTTSWSA-N 238.243 0.543 30 20 BCED CC[C@H](CC#N)NCC(=O)N1CCO[C@H](C)C1 846994327 PZXVCHDZJHDJIS-GHMZBOCLSA-N 239.319 0.516 30 20 BCED CCC(C)(C)N1CCN(C(=O)C=NOC)CC1 848301418 GJEKZHXZVVYLBK-UHFFFAOYSA-N 241.335 0.951 30 20 BCED C#CCO[C@H](C)C(=O)N1Cc2ccncc2C1 848383627 XRSFJORFUNFISE-SNVBAGLBSA-N 230.267 0.962 30 20 BCED C=CCCNC(=S)NCCN(C)C 849278181 SPNFEJZVKVRGOG-UHFFFAOYSA-N 201.339 0.588 30 20 BCED C#CCOCCN[C@@H](COC)[C@@H]1CCCO1 852000806 ZZRWGSSYFVUNRB-RYUDHWBXSA-N 227.304 0.420 30 20 BCED CC(C)n1nccc1C(=O)N[C@H]1CNC[C@H]1C#N 852875814 QJAGGSWTEOMFCZ-ZJUUUORDSA-N 247.302 0.305 30 20 BCED CC[C@H]1COCC1=NN(C)C[C@H](C)O 853357201 QBVGSNUINRBUAK-IUCAKERBSA-N 200.282 0.711 30 20 BCED C#CCCCCNc1ncnc2c1nnn2C 853445987 YHTHNQNCJDJEMM-UHFFFAOYSA-N 230.275 0.974 30 20 BCED C#Cc1cccnc1N1CCN2CCOC[C@@H]2C1 853476962 MSYSDRZNZSJRKI-ZDUSSCGKSA-N 243.310 0.584 30 20 BCED C#CC1CCN(Cn2nc(C)oc2=O)CC1 853518294 GMPFJUKIKSZZDO-UHFFFAOYSA-N 221.260 0.447 30 20 BCED C=C[C@](C)(O)C(=O)NOCCCOC 854449664 PAUODHYANCLMQT-VIFPVBQESA-N 203.238 0.008 30 20 BCED C#CC[C@H](CO)NC(=O)Cc1cscn1 854549629 JRCDVTGSDABKTK-MRVPVSSYSA-N 224.285 0.186 30 20 BCED C#C[C@](C)(CC)NC(=O)C(=O)Nc1cc(C)on1 854701829 WQZKNGJWCUUVSK-GFCCVEGCSA-N 249.270 0.840 30 20 BCED COCCC1(C(=O)O[C@@H](C#N)COC)CC1 857067204 HIEFRLSEXFYGAT-VIFPVBQESA-N 227.260 0.885 30 20 BCED C[C@H]1C(=O)N(N=Cc2ccc(O)nc2)C(=O)N1C 857216013 JDALJNLVCRJFKM-ZETCQYMHSA-N 248.242 0.404 30 20 BCED C#CCCNC(=O)N1CCO[C@H](COCC)C1 858217758 GHAPKTHLKDBAKK-NSHDSACASA-N 240.303 0.457 30 20 BCED C#CCCCCNC(=O)NC[C@@H]1COCCN1 861609741 PBXWMIZVCJQSHE-LLVKDONJSA-N 239.319 0.078 30 20 BCED C#CCCCC(=O)N[C@@H](CCSC)C(N)=O 862715672 FZUTVOJKZQPSPW-VIFPVBQESA-N 242.344 0.513 30 20 BCED 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C[C@@H]1CC[C@@H](N(C)C(=O)Cn2cnc(C#N)n2)C1 430451087 VJBBHSQPNFWSIE-NXEZZACHSA-N 247.302 0.797 30 20 BCED Cn1cc(Br)c(C(=O)NO)n1 606286102 NWFMFQNGNKVINY-UHFFFAOYSA-N 220.026 0.302 30 20 BCED CCC(=O)N1CCN(C(=O)CC)[C@H](C#N)C1 602359972 RZXMMYMBJAPFFZ-SECBINFHSA-N 223.276 0.369 30 20 BCED CC(C)[C@@H](C#N)NC(=O)CCc1cnn[nH]1 601134294 FFDFGHWEDRXDOF-SECBINFHSA-N 221.264 0.402 30 20 BCED CC#CCNC(=O)N[C@H]1CC[C@H](C(=O)OC)C1 359055940 NUJAVRQQZPRVCB-UWVGGRQHSA-N 238.287 0.651 30 20 BCED CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)C#N)C1 530852116 LAIZAVQWBPVPSM-CABZTGNLSA-N 237.303 0.521 30 20 BCED CC(C)(CNCc1cccc(C#N)n1)OCCO 602662051 BXDBHZZTKNYTGA-UHFFFAOYSA-N 249.314 0.830 30 20 BCED C=C[C@](C)(CC)C(=O)N[C@H]1CN(C)NC1=O 442817684 ZROXHIFBGUMHFW-GZMMTYOYSA-N 225.292 0.050 30 20 BCED C=C[C@@H](O)C(=O)Nc1cncnc1N1CCCC1 612386460 JYXXXBGOJVUXHB-SNVBAGLBSA-N 248.286 0.562 30 20 BCED C=C[C@](C)(O)C(=O)N1CC(C(F)F)C1 612510992 AAWLTHCCWVWDOS-VIFPVBQESA-N 205.204 0.647 30 20 BCED C/N=C(\NC)NC[C@H]1COC2(CCCCC2)O1 263141461 JRLSYZQRORHAGT-JTQLQIEISA-N 241.335 0.857 30 20 BCED C=CCN/C(N)=N/C[C@@H](C)CN1CCOCC1 267461452 VGOUBTACPBITPP-LLVKDONJSA-N 240.351 0.045 30 20 BCED C=CCOCC(=O)N1CCC[C@H](N(C)C)C1 356544576 ILAXEQPKJNWKIV-NSHDSACASA-N 226.320 0.742 30 20 BCED N#Cc1cc(C(=O)N(CCCO)C2CC2)c[nH]1 611472164 ZKJPWRNSOIVJGW-UHFFFAOYSA-N 233.271 0.873 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@H]1CC[C@@H](CO)CC1 612496818 NQQFZEIFSFWOAG-JFGNBEQYSA-N 227.304 0.591 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)CCCC(=O)OC 452941858 HBXYWBDHAHZUIP-ZJUUUORDSA-N 241.287 0.789 30 20 BCED Cn1ncc(C(=O)NCCCCF)c1C#N 360517041 JCOWUDVTCFDSSS-UHFFFAOYSA-N 224.239 0.771 30 20 BCED C[C@@H](C(=O)N(C)CCC#N)c1cnn(C)c1 530685935 MMNNSAVPZIDPCR-SECBINFHSA-N 220.276 0.896 30 20 BCED C#CCNC(=O)c1ccc(N2CC[C@H](O)C2)nc1 265854617 VZIBFHCQSZDIEP-NSHDSACASA-N 245.282 0.016 30 20 BCED C=C(C)CCNC(=O)N(CC)CCOCCO 459005674 QMQKKAXTBIRGGU-UHFFFAOYSA-N 244.335 0.993 30 20 BCED C=CCOCCCC(=O)N(CC#N)CC#N 266264920 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C=CCN(C)C(=O)C(=O)NCc1ccccn1 283252114 LYYKPJYDXRJRFC-UHFFFAOYSA-N 233.271 0.342 30 20 BCED CC[C@](C)(C#N)NC(=O)c1cncc(OC)n1 555388133 VZYNYEIUEKJIEM-LLVKDONJSA-N 234.259 0.907 30 20 BCED C#C[C@@H](C)NC(=O)N[C@@H](c1nncn1C)C(C)C 287161473 NTROGRUHQKOKBN-NXEZZACHSA-N 249.318 0.833 30 20 BCED C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[C@H](O)C1 290804292 UBFDCGNAFIKIDM-SCVCMEIPSA-N 227.304 0.591 30 20 BCED C=CCCCS(=O)(=O)N[C@@H](CCC)C(N)=O 292416023 UTMCMQFNXBBQIN-VIFPVBQESA-N 248.348 0.526 30 20 BCED C[C@H](C#N)OCCN(C)CCc1cnccn1 801940993 VZGZRYJUYPBGKX-LLVKDONJSA-N 234.303 0.880 30 20 BCED C=CCNC(=O)[C@H](C)n1cc(C(=O)CC)nn1 640883779 NOSXJQHAEBQGIV-QMMMGPOBSA-N 236.275 0.734 30 20 BCED C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)n1cncn1 291530983 ZUNIRDAVMJCGLT-GZMMTYOYSA-N 233.275 0.648 30 20 BCED C[C@H](O)COC(=O)c1cnccc1C#N 805718527 FWCWSHPSRUZYII-ZETCQYMHSA-N 206.201 0.491 30 20 BCED C#CCN(C)C(=O)N[C@@H](c1nncn1C)C(C)C 292569226 OOKKJCLBUHJSJW-SNVBAGLBSA-N 249.318 0.787 30 20 BCED 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30 20 BCED CO[C@@H](C)C(=O)N1CC2(CCN(CC#N)C2)C1 1072525938 HKCGQFYANUDPCR-JTQLQIEISA-N 237.303 0.079 30 20 BCED C=CCN[C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C 987066589 WDFOYEQDZCZWSS-JQWIXIFHSA-N 246.314 0.855 30 20 BCED C[C@@H]1C(=O)NCCN1CCC(C)(C)C#N 87595635 TZNISXRXFPWIDR-SECBINFHSA-N 209.293 0.747 30 20 BCED C#CCN[C@H]1CCN(C(=O)C2CC2)[C@@H]1C 985852666 AJWLUVZVLVHZOP-KOLCDFICSA-N 206.289 0.609 30 20 BCED C#CCNCCCNC(=O)CC[C@H](C)OC 1156900824 CKTYWOAPNNAFQJ-NSHDSACASA-N 226.320 0.531 30 20 BCED C=CCN1C[C@H](O)[C@H](NC(=O)C2(C)CC2)C1 1083479632 XCYKTJLMZCTXOE-ZJUUUORDSA-N 224.304 0.134 30 20 BCED Cc1ccccc1CC(=O)NCCNCC#N 1150541399 BIERXKAFVHVEAZ-UHFFFAOYSA-N 231.299 0.767 30 20 BCED C#CCNCCCNC(=O)CC1(O)CCC1 1157664107 OORLFHPWIJSAIQ-UHFFFAOYSA-N 224.304 0.021 30 20 BCED C#CCNCCCNC(=O)[C@H](F)C(F)(F)F 1158470881 FJJZDJVOHYNXKZ-ZETCQYMHSA-N 240.200 0.616 30 20 BCED C=CCNCCNC(=O)CCc1nccs1 1151490445 UXYQLNAGNKORNH-UHFFFAOYSA-N 239.344 0.968 30 20 BCED C#CCN[C@H]1CCCN(C(=O)c2cccn2C)C1 998551251 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0.480 30 20 BCED CC(=O)NC[C@@H]1CCCN1c1cnc(C#N)cn1 1061297492 FNIYZWPRVABSIW-NSHDSACASA-N 245.286 0.453 30 20 BCED C=CCN(C(=O)CSCC(=O)O)C1CC1 126176938 LAHFTOCZLXBYQO-UHFFFAOYSA-N 229.301 0.981 30 20 BCED C#CCN1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 1015709362 UWBOEUSUUMFDMH-QWHCGFSZSA-N 249.358 0.152 30 20 BCED N#Cc1cc([N+](=O)[O-])ccc1N1CCNC(=O)C1 7984880 YECCXEDOWDQEEE-UHFFFAOYSA-N 246.226 0.403 30 20 BCED C#CCN[C@H]1C[C@@H](NC(=O)Cc2ccon2)C1 1021909670 TXGSWWGDOKQCTC-PHIMTYICSA-N 233.271 0.087 30 20 BCED CC#CCN1CCC[C@H]1CNC(=O)c1cnco1 1028058805 KUBXDBPIYCEZHH-NSHDSACASA-N 247.298 0.892 30 20 BCED C#CCN1CC(NC(=O)c2ccc(F)cc2)C1 1030051927 XFRCQTJWONPQHF-UHFFFAOYSA-N 232.258 0.873 30 20 BCED C#CCN1CC[C@@H]1CNC(=O)c1[nH]cnc1CC 1038980136 WLNRLBOQCVQYGR-SNVBAGLBSA-N 246.314 0.409 30 20 BCED C#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C 1038604663 FGDDUFMHZUYASC-OUAUKWLOSA-N 206.289 0.466 30 20 BCED C#CCN1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 1048811011 YKKWWKQUCPAZLF-OKILXGFUSA-N 242.322 0.423 30 20 BCED C=CCNC(=O)[C@H](C)N1CCOC2(CCC2)C1 154220132 HCQIKHQQUZKQPZ-NSHDSACASA-N 238.331 0.932 30 20 BCED C=CCN(CCS(C)(=O)=O)C(C)C 193981541 WWUXTHDQAJNXEY-UHFFFAOYSA-N 205.323 0.927 30 20 BCED CC(C)(O)CN(CC#N)C1CCOCC1 530939339 VHGLZGRBMMDSIK-UHFFFAOYSA-N 212.293 0.762 30 20 BCED Cc1cccc(O[C@H](C)C(=O)NCC#CCO)c1 282904805 MBBOGZQSGRMQGY-GFCCVEGCSA-N 247.294 0.874 30 20 BCED CN(CCC(N)=O)C[C@@H](O)c1ccc(C#N)cc1 286615818 XIMYWBIVQCKAQJ-GFCCVEGCSA-N 247.298 0.399 30 20 BCED Cn1cc(CNc2cncc(C#N)n2)nn1 401338824 SWORJHVBBBIPGV-UHFFFAOYSA-N 215.220 0.089 30 20 BCED CCN1CCCN(c2cc(C#N)ncn2)CC1 307894414 JFSNDBPPUSISHA-UHFFFAOYSA-N 231.303 0.880 30 20 BCED C=CCNC(=O)CNCc1ccc(COC)o1 346683097 DZZSWFXNPALTGQ-UHFFFAOYSA-N 238.287 0.818 30 20 BCED CC[C@H](NN=C1CCO[C@H](C)C1)C(=O)O 308886345 VXRGNQXIOCFLBF-APPZFPTMSA-N 214.265 0.994 30 20 BCED C=C[C@@H](CO)Nc1cncc(C(=O)OC)n1 309440979 IMPAZHILWSBPJD-ZETCQYMHSA-N 223.232 0.222 30 20 BCED N#Cc1ccc(N2C[C@H]3CNC[C@@H]3C2)nn1 309584702 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0.515 30 20 BCED Cc1nn(CC(=O)N2CCCC2)cc1C#N 334221989 XRNKYCCSADWNRJ-UHFFFAOYSA-N 218.260 0.686 30 20 BCED N#CCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 330894721 ZZQFIKZZVMTSRO-ZCFIWIBFSA-N 249.192 0.179 30 20 BCED C[C@@H]1CN(C(=O)NCC(C)(C)C#N)CCO1 334576358 OREMDSUGHWTECC-SECBINFHSA-N 225.292 0.966 30 20 BCED CN(CCC#N)C[C@@H](O)COCC(F)(F)F 432828690 KHNJDBDCCUHVJM-MRVPVSSYSA-N 240.225 0.772 30 20 BCED C#CCN(CC)[C@H]1CCN(c2cnn(C)c2)C1=O 267340974 SGYQHFPLUXCDON-LBPRGKRZSA-N 246.314 0.481 30 20 BCED C=C[C@@](C)(CCOC)C(=O)N1CCN(C)CC1 437645628 JTUKPBULFZHAQX-ZDUSSCGKSA-N 240.347 0.989 30 20 BCED C=CCNC(=O)CN1CC[C@@H](C(=O)OC)[C@@H]1C 346687827 WTCPJOQJAGOZCC-VHSXEESVSA-N 240.303 0.172 30 20 BCED C[C@@H](C#N)NC(=O)c1ccnc2c1ncn2C 342706889 HPJLAPQQRYDCHU-ZETCQYMHSA-N 229.243 0.610 30 20 BCED C[C@@H](C#N)CNC(=O)c1ncn(C(C)(C)C)n1 521331587 SOQNDWYHMOBYAU-QMMMGPOBSA-N 235.291 0.923 30 20 BCED Cc1nc(Cn2cc(C#N)nn2)oc1C 603332700 FMPKQOWUHPLHDC-UHFFFAOYSA-N 203.205 0.803 30 20 BCED C=CCCOCCCCC(=O)N1CC(O)C1 342971060 LIYVFECQYQWKLZ-UHFFFAOYSA-N 227.304 0.953 30 20 BCED N#CCNC(=O)CNC(=O)Cc1ccc(F)cc1 344148269 GAFVYSZHFZBMFT-UHFFFAOYSA-N 249.245 0.124 30 20 BCED C[C@@H](CO)NC(=O)c1cnccc1C#N 341696574 JNSKYRFKLNWYCR-ZETCQYMHSA-N 205.217 0.064 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1CCc2c[nH]nc2C1 344203539 PHTGFQWDGJMHOM-APPZFPTMSA-N 218.260 0.543 30 20 BCED C[S@](=O)c1ccc(C(=O)NCC#N)cc1 604544869 CJJBXSWZNHAWSN-HNNXBMFYSA-N 222.269 0.677 30 20 BCED C=CCN(C(=O)CCc1nc[nH]n1)C1CC1 357510375 IHQXPAABWUYZIQ-UHFFFAOYSA-N 220.276 0.914 30 20 BCED COC(=O)[C@H]1C[C@H]1C(=O)NC1(C#N)CCC1 263912945 WFYTVRSWUKCMSI-SFYZADRCSA-N 222.244 0.358 30 20 BCED N#Cc1ccncc1C(=O)NCCCOCCO 359023930 GMKGMKVLQCCMTM-UHFFFAOYSA-N 249.270 0.082 30 20 BCED C[C@@H]1CN/C(=N/CCNc2ccncc2)N1 262637368 HBOPNDPSSDSAPP-SECBINFHSA-N 219.292 0.431 30 20 BCED C[C@H]1CN/C(=N/C[C@@H](O)c2ccc(F)cc2)N1 262640952 HUDNGMUYQIFPSP-GZMMTYOYSA-N 237.278 0.796 30 20 BCED C[C@H](CCC#N)CN1CCO[C@H](C(N)=O)C1 618887477 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CN1CC[C@@H](N(C)C[C@H](C#N)CCC#N)C1=O 352668731 UPUGXFDOZNOJIF-WDEREUQCSA-N 234.303 0.592 30 20 BCED C=CCOCC(=O)N1CCNC[C@@H]1CCC 359234577 SZJRPADYMORKNZ-NSHDSACASA-N 226.320 0.790 30 20 BCED COC[C@H](C)C(=O)N[C@@]1(C#N)CCOC1 358454880 WTDUFJLKPDIQGW-WCBMZHEXSA-N 212.249 0.068 30 20 BCED CC[C@](C)(C#N)NC(=O)[C@H](C)CS(C)(=O)=O 530612373 DJTMEIHYWOEXNT-PSASIEDQSA-N 246.332 0.476 30 20 BCED CCN(C)CCNC(=O)N[C@@H]1CCC[C@@H]1C#N 360082359 KZWTURGTANAQTJ-GHMZBOCLSA-N 238.335 0.930 30 20 BCED CN1CC[C@@H](C(=O)N2CCC(CC#N)CC2)C1=O 614022492 XVOOUTQQKBYZEI-LLVKDONJSA-N 249.314 0.617 30 20 BCED C=CCCCNC(=O)C1=NN2CCCN=C2N1 614209603 KNLZNAQPBLPSKS-UHFFFAOYSA-N 235.291 0.047 30 20 BCED C#C[C@H](C)NC(=O)c1cncc(OC)n1 276878124 BVHYGQVZNFKHSF-ZETCQYMHSA-N 205.217 0.237 30 20 BCED C#CCN(C(=O)NCCCC(=O)OC)C1CC1 274075092 GDHKKBXXIQXAAS-UHFFFAOYSA-N 238.287 0.747 30 20 BCED C=C(CC)CNC(=O)N1C[C@H](C)O[C@H](CO)C1 459069771 FIWCDVYATBYOIL-QWRGUYRKSA-N 242.319 0.744 30 20 BCED 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238.331 0.627 30 20 BCED CC[C@](C)(C#N)C(=O)NC[C@@](C)(O)COC 571152817 TXHDADQYEFZKDZ-GHMZBOCLSA-N 228.292 0.440 30 20 BCED C=CCCNCCNC(=O)c1ccc(O)nc1 1149763770 UZZAWFWCIDETAI-UHFFFAOYSA-N 235.287 0.683 30 20 BCED C#CCCN1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](C)C1 1079671777 DIBAHCGLZLQYEH-GHMZBOCLSA-N 246.314 0.483 30 20 BCED CO[C@H](C(=O)OCC1(C#N)CC1)c1cnn(C)c1 798775798 YBNCCHBXNNDUFI-JTQLQIEISA-N 249.270 0.955 30 20 BCED COCC[C@@H]1CCCC1=NNS(C)(=O)=O 799881508 RKHZZWMBDIJRKN-QMMMGPOBSA-N 234.321 0.728 30 20 BCED N#CC1(NC(=O)c2cc[nH]n2)CCOCC1 1146844025 KTDZPRRFGNXCRL-UHFFFAOYSA-N 220.232 0.212 30 20 BCED C#CCNC(=O)CCN[C@H]1CCN2CCC[C@H]2C1 754795145 LQQLCEMVWYVXTB-STQMWFEESA-N 249.358 0.342 30 20 BCED C#CC(=O)NC[C@@H]1Cc2ccccc2O1 692897124 LLMBUMYHHMWNQN-JTQLQIEISA-N 201.225 0.740 30 20 BCED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)c1cncnc1 1079606996 ABCYTGWEVNWMRU-MWLCHTKSSA-N 245.286 0.050 30 20 BCED C[C@H](CCC#N)N1CCO[C@H](C(=O)O)C1 695702902 ADMNRRGBDSIPFR-BDAKNGLRSA-N 212.249 0.464 30 20 BCED 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777903558 UKFUDAZJMMCGCV-MRVPVSSYSA-N 208.265 0.825 30 20 BCED C#CCCCCNC(=O)N[C@@H](CO)C1CC1 778703407 XBWKOXQKOHUGGT-NSHDSACASA-N 224.304 0.860 30 20 BCED CCc1nc(C=NNC2=NC[C@@H](C)N2)cs1 779794227 FHXPFBPLISJMCT-SSDOTTSWSA-N 237.332 0.977 30 20 BCED C#CCOCCNc1ncnc2c1ncn2CC 784240842 YLPYIZAGCJCYHW-UHFFFAOYSA-N 245.286 0.908 30 20 BCED C#CCNC(=O)[C@H](C)N1CCC[C@](C)(C#N)C1 784455708 VNMSRCDHAJDRHN-WCQYABFASA-N 233.315 0.750 30 20 BCED C#CCOCCNC(=O)[C@@H]1C[C@@H]1C1CC1 784598375 NEFFDGNTILJXME-GHMZBOCLSA-N 207.273 0.799 30 20 BCED CC(C)(C#N)CC(=O)OCCCS(N)(=O)=O 785108572 RTQRBGWHVKUWPO-UHFFFAOYSA-N 248.304 0.148 30 20 BCED N#Cc1cc(C(=O)OCC[C@H]2CCOC2=O)c[nH]1 786903421 MBGUGIKBHJIVJX-MRVPVSSYSA-N 248.238 0.996 30 20 BCED N#Cc1cc(C(=O)OCc2nc(O)n[nH]2)c[nH]1 786906777 BUAQBYMULIZUAI-UHFFFAOYSA-N 233.187 0.067 30 20 BCED C[C@@H]1CN=C(NN=Cc2cn(C(C)(C)C)nn2)N1 790174287 ROIAMEVTOYFCMZ-MRVPVSSYSA-N 249.322 0.304 30 20 BCED C#C[C@@H](CCC)NC(=O)[C@@H](C)NC(=O)CC 791742623 IKJVQXLMNNFRFV-ZJUUUORDSA-N 224.304 0.819 30 20 BCED CC(=NN[C@H]1CCOC1)c1cn(C)c(C)n1 800816815 DORMDKJGWCDRBE-JTQLQIEISA-N 222.292 0.831 30 20 BCED C#CCCS(=O)(=O)N(CC(C)(C)O)C1CC1 808307393 PNASSDJQKXBQRG-UHFFFAOYSA-N 245.344 0.575 30 20 BCED CON=CC(=O)NCCc1ccc(C)o1 809606741 CMDYMJWNRYUJPU-UHFFFAOYSA-N 210.233 0.879 30 20 BCED CON=CC(=O)N(C)CC1CCN(C)CC1 809666056 LYQKBIOKWRMSMA-UHFFFAOYSA-N 227.308 0.419 30 20 BCED CON=CC(=O)NC[C@@H]1COC2(CCCC2)O1 809747610 DBKVQUITTPWGFV-SECBINFHSA-N 242.275 0.421 30 20 BCED C=C[C@](C)(O)CC(=O)NOCC(F)F 811053770 QCUGSOJUNBEIMX-QMMMGPOBSA-N 209.192 0.626 30 20 BCED C#CCOCCNC(=O)[C@](C)(O)C1CCC1 813515347 ARTXUXMYRVKIQM-GFCCVEGCSA-N 225.288 0.304 30 20 BCED CC(=NN1CCN(C)CC1)c1ccc(N)nc1 814684862 DGZCXQPWRZERPH-UHFFFAOYSA-N 233.319 0.635 30 20 BCED Cc1nc2scc(C)n2c1C=NNCCO 814944341 ZWXAVVLNTORZHE-UHFFFAOYSA-N 238.316 0.928 30 20 BCED C=CCC(F)(F)C(=O)NC1(C(N)=O)CCC1 815858485 WSKYBLMXNQCFPW-UHFFFAOYSA-N 232.230 0.722 30 20 BCED C#CCC(C)(C)C(=O)Nc1nnc2nc[nH]n12 816654865 DMNPNMYYHANTAP-UHFFFAOYSA-N 232.247 0.440 30 20 BCED C#CC[C@H](CO)NC(=O)[C@@H](C)SC 816670072 LDQSCKUTLMEWAZ-HTQZYQBOSA-N 201.291 0.238 30 20 BCED C[C@@H](C#N)CNN=C1CNC(=O)c2ccccc21 817325861 NZTKIGUIGAIKFH-VIFPVBQESA-N 242.282 0.883 30 20 BCED CC1CC(C#N)(C(=O)N(C)[C@H](C)C(=O)O)C1 818084780 AJNWXQAGLYRTIW-JKDSDDBFSA-N 224.260 0.858 30 20 BCED C#CCOCCNC(=O)N[C@@H]1CCCC[C@H]1N 818649379 DLQNDYONYTWCGR-GHMZBOCLSA-N 239.319 0.205 30 20 BCED C=CCCOCC(=O)N1CC2(CCOC2)C1 819384697 HXVCDJRBYPSFED-UHFFFAOYSA-N 225.288 0.828 30 20 BCED CCO/C=C\C(=O)N1CCN(CCC#N)CC1 827479386 PTKPGPWASBINAT-WCIBSUBMSA-N 237.303 0.594 30 20 BCED C#CC(C)(C)NC(=O)c1ccn2nnnc2c1 827634151 KQKLVMSAPDWVLL-UHFFFAOYSA-N 229.243 0.266 30 20 BCED C=C(CN(C)C)C(=O)N1CCC[C@@](C)(O)C1 828145552 LWYUOHQJWQMIRQ-GFCCVEGCSA-N 226.320 0.478 30 20 BCED N#Cc1c[nH]nc1NC(=O)C[C@@H](N)C1CC1 831789882 VDWJUFDVIOSOSY-MRVPVSSYSA-N 219.248 0.347 30 20 BCED C=CCN(CC=C)C(=O)[C@H](C)NC(=O)O 833374196 CCOCTYIGDHYCBG-QMMMGPOBSA-N 212.249 0.843 30 20 BCED C[C@H]1CC(=NC(=O)[C@H](C)CC(=O)O)NO1 833595183 DLWQSIAQMYOYFB-RITPCOANSA-N 214.221 0.336 30 20 BCED Cc1ccc(CC(=O)N[C@@H]2CNC[C@@H]2C#N)cn1 834490329 UEYZCRNKVOYQIY-NWDGAFQWSA-N 244.298 0.160 30 20 BCED COc1cccc(C)c1C=NNS(C)(=O)=O 834963052 XQCVUTPELIQEJH-UHFFFAOYSA-N 242.300 0.887 30 20 BCED C#CCO[C@@H](C)C(=O)OC[C@H]1CCCNC1=O 835996451 ZAMLGKTZKYDKQJ-VHSXEESVSA-N 239.271 0.094 30 20 BCED C=CCCOCCNCc1cnn(CC)n1 838983885 IFICOUZKLXCQSD-UHFFFAOYSA-N 224.308 0.980 30 20 BCED CC(C)CNC(=O)N[C@@H]1CNC[C@H]1C#N 841506951 MJHDNCMUPMFXRT-RKDXNWHRSA-N 210.281 0.053 30 20 BCED c1ccc2c(c1)COCC2=NNC1=NCCN1 841661520 QGKLCJXRSJUZCI-UHFFFAOYSA-N 230.271 0.470 30 20 BCED C#CC[C@H]1NC(=O)N(C[C@@H](C)SC)C1=O 842244864 OFQATXQPVRDMPM-HTQZYQBOSA-N 226.301 0.682 30 20 BCED C=C[C@H](C)ONC(=O)N[C@H](CC)[C@H](C)O 845619295 VMNNJXMXIDCXGY-XHNCKOQMSA-N 216.281 0.951 30 20 BCED Cc1nonc1CC(=O)N1CC[C@](F)(C#N)C1 845994326 OYFVXZLJAVXFLB-JTQLQIEISA-N 238.222 0.385 30 20 BCED C=C(CO)C(=O)NC(C)(C)c1ncc[nH]1 846246381 HGYHSRVJJJYANG-UHFFFAOYSA-N 209.249 0.310 30 20 BCED CC1(C#N)CN(CCC(=O)N2CCCC2)C1 846883907 WYBOUINTRISDOK-UHFFFAOYSA-N 221.304 0.844 30 20 BCED C#CCO[C@@H](C)C(=O)OC[C@H]1CCN(C)C1=O 847799170 RSTQDAZQNDSWLJ-VHSXEESVSA-N 239.271 0.046 30 20 BCED C=CCONC(=O)NC[C@@H](C(=O)O)C(C)C 848581135 JQTWYFOESOIDBO-MRVPVSSYSA-N 230.264 0.760 30 20 BCED C#C[C@@H](C)NC(=O)N[C@H]1CCN(CCC)C1 852264085 XJCCGMDAWGMCJT-MNOVXSKESA-N 223.320 0.792 30 20 BCED C#CCNC(=O)CCN(CC=C)[C@@H](C)COC 852357246 YVWKVGGBUVSGSK-LBPRGKRZSA-N 238.331 0.649 30 20 BCED C=CCOCCNC[C@H](O)c1ccccn1 853105632 VBEWTQPLHQKTNE-LBPRGKRZSA-N 222.288 0.907 30 20 BCED C#Cc1cccnc1N[C@H]1CC(=O)N(C)C1 853361028 KPOKFJDABUJEIP-JTQLQIEISA-N 215.256 0.706 30 20 BCED CCc1nc(C#N)cc(N2CCN(OC)CC2)n1 853671995 QZDPLRIUVQYRTA-UHFFFAOYSA-N 247.302 0.594 30 20 BCED C=C(C)COCCNC(=O)NCCN(C)OC 853862277 MQHOHQVXBUCTLK-UHFFFAOYSA-N 245.323 0.372 30 20 BCED C#CC[C@H](CO)NC(=O)c1cnc2[nH]cnc2c1 854544458 PNMGVKUFDONXNJ-SECBINFHSA-N 244.254 0.072 30 20 BCED CON(C)C(=O)[C@H](C)N[C@H]1CC[C@@H](C#N)C1 858580698 ULHPRDAHXQMVET-AEJSXWLSSA-N 225.292 0.677 30 20 BCED C#CCCOC(=O)N1CCC[C@](C)(O)C1 859089996 MIYLKRLVEXQXMN-NSHDSACASA-N 211.261 0.993 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@@H](OCC)C1CC1 861519712 PMMWNCKZTHEXOZ-NEPJUHHUSA-N 239.315 0.692 30 20 BCED C[C@@H](C#N)N(C(=O)[C@H]1CCOC(=O)N1)C1CC1 862183385 XTHCMNAKMJGVCO-IONNQARKSA-N 237.259 0.388 30 20 BCED C#CC[C@@H](CCOC)NC(=O)c1ccc(C=O)[nH]1 863786324 XIZIBQRKOBSYLP-JTQLQIEISA-N 248.282 0.985 30 20 BCED C=C[C@@H](C)NC(=O)[C@@]1(CC)CCNC1=O 866504108 XLGFVYDLZCRRSP-KCJUWKMLSA-N 210.277 0.593 30 20 BCED C#CCCOC(=O)NC[C@@H]1CC(C)=NO1 867350261 ZIMWFKSZBULUPW-VIFPVBQESA-N 210.233 0.901 30 20 BCED C#C[C@H](CC)NC(=O)c1csc(CO)n1 867771596 AIYOMWGAMJEBNK-SSDOTTSWSA-N 224.285 0.777 30 20 BCED CC(=O)Nc1cccc(C=NNCCO)c1 872379196 XTWIIPKSWDKEEE-UHFFFAOYSA-N 221.260 0.561 30 20 BCED C#CCNC(=O)[C@H]1CCN1C1CCCC1 873821148 FDVRURPFKYXDSF-LLVKDONJSA-N 206.289 0.753 30 20 BCED C#CC[C@H](CCOC)NC(=O)N(C)OC 875917533 XSNHSSTVOSCBKZ-SECBINFHSA-N 214.265 0.618 30 20 BCED C=CCN(CC=C)C(=O)Cn1cc([C@H](C)N)nn1 880984841 DCJPSLVNTHFZQL-JTQLQIEISA-N 249.318 0.498 30 20 BCED C=CCC[C@H](O)Cn1cc(C2(O)CCC2)nn1 881406695 KAEWASKYWRIFKO-JTQLQIEISA-N 237.303 0.977 30 20 BCED N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](N)C2)[nH]1 884469859 YFJCMEODSIIMPG-OCAPTIKFSA-N 218.260 0.353 30 20 BCED C=CCN1CC[C@H](N2C[C@H]3C[C@H]3C2)C1=O 886347056 XMYGZBOCZXJXGQ-AXFHLTTASA-N 206.289 0.725 30 20 BCED CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCCC#N 886959228 MIDFTYYFFFIWSE-WDEREUQCSA-N 240.303 0.990 30 20 BCED C#CCSCC(=O)N[C@H](C)c1cnn(C)c1 889153655 SMCKQONCOSJJJP-SECBINFHSA-N 237.328 0.964 30 20 BCED C[C@@H](CO)NC(=O)Nc1ccc(C#N)cn1 889220820 JRKWLAIHEWJANG-ZETCQYMHSA-N 220.232 0.456 30 20 BCED CO[C@H](C(=O)Nc1c(C#N)c(C)nn1C)C1CC1 892621317 UTNDWIUNWFFCMD-JTQLQIEISA-N 248.286 0.964 30 20 BCED C[C@@H]1O[C@H](C)C[C@@H]1N[C@H]1CCCN(O)C1=O 895157735 FFNCSDBDHOGCEM-KATARQTJSA-N 228.292 0.522 30 20 BCED C#CC1(O)CN(C(=O)NC[C@@H]2C[C@H]2C(C)C)C1 895202251 MIENRPOXOPDBIP-QWRGUYRKSA-N 236.315 0.668 30 20 BCED C=CCNC(=S)N1CCC[C@@H]1C1OCCO1 899645804 PSMLNJZIMAWXEC-SECBINFHSA-N 242.344 0.884 30 20 BCED C=C(Cl)Cn1cc(CNC(=O)N(C)C)nn1 900582769 XQONUFPDUASHLM-UHFFFAOYSA-N 243.698 0.802 30 20 BCED C=CC(=O)N(CC)CC(=O)NCC(=C)Cl 900758912 DPFVUCSJVNPVKD-UHFFFAOYSA-N 230.695 0.890 30 20 BCED CN(C)CCNC(=O)c1ccsc1C#N 905050771 QSYXPFATKNJERC-UHFFFAOYSA-N 223.301 0.911 30 20 BCED C#C[C@@H](NC(=O)c1cnc(C)n1C)[C@@H]1CCCO1 907488727 SNKGKENPHNBDCN-PWSUYJOCSA-N 247.298 0.639 30 20 BCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)O 908660533 MQNYYSDLNWDUDM-UWVGGRQHSA-N 239.271 0.490 30 20 BCED C=CCN(CC(=O)O)C(=O)c1ccc(NC)nc1 909515120 PZKCVLNOGJOTSG-UHFFFAOYSA-N 249.270 0.836 30 20 BCED C#CC[C@@H](NC(=O)c1cnn(CCC)c1)C(=O)O 910054518 TWLBCPIIXQOERD-SNVBAGLBSA-N 249.270 0.499 30 20 BCED C=C1CN(C(=O)Cn2c(C)cc(C)nc2=O)C1 912447992 NSZBIIWPPOSJDD-UHFFFAOYSA-N 233.271 0.259 30 20 BCED C#CCN(CC#CC)C(=O)O[C@H]1CCOC1 914194318 CFWWLWKUMKPVOW-NSHDSACASA-N 221.256 0.870 30 20 BCED COc1nc2sccn2c1C=NNC(=N)N 915050755 JAYBJTINSCPZJC-UHFFFAOYSA-N 238.276 0.221 30 20 BCED CO[C@@H](C)CN(C)S(=O)(=O)CC(C)(C)C#N 915620582 GMCBOUFUNGHAGQ-VIFPVBQESA-N 248.348 0.833 30 20 BCED C#CCOCCNC(=O)N[C@@H](C)C1(CO)CC1 921934189 SKQDFOPWRUKHIO-JTQLQIEISA-N 240.303 0.096 30 20 BCED CC(C)(C#N)C(=O)NCC1(C(=O)O)CC1 923076894 HUYYZKWAYZLBGZ-UHFFFAOYSA-N 210.233 0.517 30 20 BCED C=C[C@@H](O)C(=O)NC[C@](C)(CC(C)C)C(=O)O 923191913 QHYURWCGQQPUEV-SKDRFNHKSA-N 243.303 0.787 30 20 BCED CC#CC(=O)N[C@H](CO)C[C@@H]1CCCO1 923739415 KUBOFQPPBFDGGZ-UWVGGRQHSA-N 211.261 0.056 30 20 BCED C[C@@H]1COC[C@H]1NC(=O)N1CCC(C#N)CC1 926006006 ZWLAHNPLCOIZCA-MWLCHTKSSA-N 237.303 0.966 30 20 BCED CC#CC[C@H](CO)NC(=O)N[C@H]1COC[C@@H]1C 926022677 SNMQRSIPCVDDSX-AXFHLTTASA-N 240.303 0.095 30 20 BCED CCC(CC)(CCO)NC[C@H](O)CC#N 930349184 JDFYBZKBKUJIDT-SNVBAGLBSA-N 214.309 0.792 30 20 BCED 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0.855 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H]1CCCC[C@@H]1CN 418407849 MDXRBRXBJVBOSK-GMTAPVOTSA-N 241.335 0.350 30 20 BCED CN(C)CCNc1nc2c(cc1C#N)COCC2 450208393 MLJLZWXSRDYNIA-UHFFFAOYSA-N 246.314 0.999 30 20 BCED C=C(CC)CN=c1nc2[nH][nH]cc-2c(N)n1 450907243 FIMCVFQYNYZXMF-UHFFFAOYSA-N 218.264 0.687 30 20 BCED C=C(CC)CNS(=O)(=O)C[C@H](C)C(=O)OC 452043697 QEJSZKNLHYUPET-VIFPVBQESA-N 249.332 0.681 30 20 BCED CC#CCNC(=O)NC[C@H]1CCOC[C@@H]1OC 454724912 COZAGCFEGNTTQG-MNOVXSKESA-N 240.303 0.360 30 20 BCED N#C[C@H]1CCC[C@H]1NCCN1CCCOCC1 459478799 NKJBUYYVDACGML-CHWSQXEVSA-N 237.347 0.991 30 20 BCED C#CCN(CC)[C@@H](C)C(=O)NCCCOCC 490740206 JJPLIFCFJYWLOS-LBPRGKRZSA-N 240.347 0.873 30 20 BCED C#C[C@H](C)N(C)CC(=O)N1CCCCC1 491513641 DKGJLWFOKWHHIU-NSHDSACASA-N 208.305 0.952 30 20 BCED C#C[C@@H](CCC)NC(=O)Cn1ccccc1=O 491618562 ALEBOIQNBPNHSB-NSHDSACASA-N 232.283 0.766 30 20 BCED C#CCN(C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C 491744842 SQTIEAAZBHWKFP-LLVKDONJSA-N 248.330 0.929 30 20 BCED C[C@@H]1OC(=O)N[C@H]1C(=O)OCC1(C#N)CC1 495852109 ZIOLBCRAWJCFOB-NKWVEPMBSA-N 224.216 0.330 30 20 BCED CC[C@@](C)(C#N)NC(=O)CNC(=O)C1CC1 523670787 FMEFSKBKQQCHLT-NSHDSACASA-N 223.276 0.321 30 20 BCED C=C[C@@H](O)C(=O)N[C@@H](C)c1ncccc1F 530233967 MJWVBDVTLUBATE-IONNQARKSA-N 224.235 0.945 30 20 BCED COCCN(CCOC)C(=O)NC[C@H](C)C#N 542877789 VUGVHFXPDWMNOM-SNVBAGLBSA-N 243.307 0.450 30 20 BCED C[C@H](CCC#N)N1CC[C@H](CO)[C@H](O)C1 567988731 NJMUIAWNUMARRG-GMTAPVOTSA-N 212.293 0.354 30 20 BCED N#Cc1cncnc1N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 570511733 ZQJQHEBBAQJYMH-NNYUYHANSA-N 240.266 0.738 30 20 BCED C[C@H](O)CNC(=O)Nc1cccc(C#N)n1 574636289 UKEGDCQPXHYKFR-ZETCQYMHSA-N 220.232 0.456 30 20 BCED C[C@](O)(C(=O)N1CC[C@](F)(C#N)C1)C1CC1 588015175 CYWSNNAJLWXHSD-MNOVXSKESA-N 226.251 0.612 30 20 BCED COC(=O)CCNC(=O)c1cccc(C#N)n1 589278726 QCWGZACDDXJLAB-UHFFFAOYSA-N 233.227 0.246 30 20 BCED CCN(CC(=O)N1CC(C#N)C1)C1CC1 590488589 UTDMWLMNHQXYIG-UHFFFAOYSA-N 207.277 0.453 30 20 BCED 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347890994 RNZGPDUHDBTAKV-UHFFFAOYSA-N 248.286 0.319 30 20 BCED C=CCOCC(=O)N1CCN(C)C[C@H]1C(C)C 348764371 PUHTZJSPWLMRJX-LBPRGKRZSA-N 240.347 0.988 30 20 BCED C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1O 351507072 XHKFZRHRIMPVDV-SCZZXKLOSA-N 203.245 0.770 30 20 BCED Cc1n[nH]c(C)c1CNCCn1cnc(C#N)n1 353044165 DUSDLOXENUZIBW-UHFFFAOYSA-N 245.290 0.280 30 20 BCED COCCNC(=O)[C@H](C#N)c1ccccn1 353084279 POABKNGKENQCLK-SECBINFHSA-N 219.244 0.451 30 20 BCED CCN(CCC#N)C(=O)c1cnc(N(C)C)cn1 355625217 YXGZQVMJTZLDSB-UHFFFAOYSA-N 247.302 0.918 30 20 BCED C[C@@H](CCN(C)C)NC(=O)c1cnn(C)c1C#N 356083378 BTQCQNYWFRCLIS-VIFPVBQESA-N 249.318 0.362 30 20 BCED C=C[C@H](CO)NC(=O)c1nccn2ccnc12 356700924 WICNZBSPALETEQ-MRVPVSSYSA-N 232.243 0.006 30 20 BCED C=C[C@@H](CO)NC(=O)c1cc(C)n(C(F)F)n1 356828530 DWDNAJBVXDRGLU-ZETCQYMHSA-N 245.229 0.863 30 20 BCED C[C@@H](CS(C)(=O)=O)C(=O)NCC(C)(C)C#N 359656212 VYEWATAGZXBJRN-QMMMGPOBSA-N 246.332 0.333 30 20 BCED COC[C@H](C)[C@H](C)C(=O)N1CCO[C@H](C#N)C1 360168662 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BCED N#CCCC1CCN([C@@H]2COC[C@H]2O)CC1 399330825 AZMZSXFCAOAGST-VXGBXAGGSA-N 224.304 0.762 30 20 BCED C#CC(C)(C)NS(=O)(=O)[C@H](C)COC 399643640 IIFLDFTZNZYCKT-MRVPVSSYSA-N 219.306 0.353 30 20 BCED CCN(CC(=O)N(C)C)c1cncc(C#N)n1 401376011 HMAFHLZUUPLTLN-UHFFFAOYSA-N 233.275 0.263 30 20 BCED N#CCN(C1CC1)S(=O)(=O)C[C@H]1CCOC1 408183406 RDBLZOPFNOKXBS-VIFPVBQESA-N 244.316 0.341 30 20 BCED N#CCCNC(=O)NCC1(O)CCCCC1 408365159 HBTDNOKUPYCJAE-UHFFFAOYSA-N 225.292 0.894 30 20 BCED CC[C@H]1CCC[C@H]1C(=O)NCC#CCO 412322808 FVILOCRCHPBCHP-WDEREUQCSA-N 209.289 0.925 30 20 BCED C=CCOCCN1C[C@@H](C)CS1(=O)=O 419076021 VLVWWLZXIFVSSB-SECBINFHSA-N 219.306 0.471 30 20 BCED N#CCCC[C@@H](N)C(=O)NCC1CCC1 424088082 IYETUAPSPCJBMF-SNVBAGLBSA-N 209.293 0.924 30 20 BCED COC[C@H](C)N(C)C(=O)[C@H](N)CCCC#N 424092338 OQACTBQFXOZDJW-VHSXEESVSA-N 227.308 0.501 30 20 BCED CC(C)N(C)CCNC(=O)[C@H](N)CCCC#N 424154085 LBBHLBVSKVFFAS-LLVKDONJSA-N 240.351 0.464 30 20 BCED C[C@@H]1CCNC[C@H]1NC(=O)[C@@H](N)CCCC#N 424154234 JHILJWKEXQULAP-OUAUKWLOSA-N 238.335 0.122 30 20 BCED C=CCOCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 443006202 YILCIBNXHDWRCA-VKISENBKSA-N 237.299 0.417 30 20 BCED C[C@H](O)CN(C(=O)NCCCC#N)[C@@H](C)CO 443611917 BFZGUDMLIDORIF-UWVGGRQHSA-N 243.307 0.063 30 20 BCED C#CCN(CC)C(=O)CNC(=O)c1ccoc1C 490761976 YOEUWIBUJYNURP-UHFFFAOYSA-N 248.282 0.800 30 20 BCED C#CCNC(=O)Cc1ccc(OC)cn1 491167196 WTVBZKLMBMSSDQ-UHFFFAOYSA-N 204.229 0.382 30 20 BCED C#C[C@H](C)N(C)C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 491327822 YBJYGUOCAWBBOE-QMMMGPOBSA-N 248.242 0.897 30 20 BCED C#C[C@@H](NC[C@H](O)CN(C)CCC#N)C(C)C 491383353 LMGHHIQQBCRICZ-QWHCGFSZSA-N 237.347 0.440 30 20 BCED C#C[C@@H](NCCC(=O)N(C)OC)C(C)C 491732425 JPBOEEZSMXFUBG-SNVBAGLBSA-N 212.293 0.644 30 20 BCED C#CCNC(=O)c1cnc2[nH]c(O)nc2c1 491751454 KPCAABGDSZACPX-UHFFFAOYSA-N 216.200 0.027 30 20 BCED C#C[C@@H](CC)NC(=O)c1ccc2nnc(O)n2c1 491817903 ZVBZPZJBKWQKTK-VIFPVBQESA-N 244.254 0.577 30 20 BCED N#CC1(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCC1 523340850 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0.372 30 20 BCED N#Cc1nc(=N[C@H]2CCc3n[nH]cc3C2)cc[nH]1 575072046 OOWBFDLRWCXCFL-VIFPVBQESA-N 240.270 0.463 30 20 BCED C[C@@H](C#N)C(=O)NC[C@@H](CO)Cc1cccnc1 577121328 CIPFCONLPGWLMI-JQWIXIFHSA-N 247.298 0.508 30 20 BCED C[C@H](O)C[C@H](C)NC(=O)NCC1(C#N)CC1 577168830 GBKIJTRNBWESKP-IUCAKERBSA-N 225.292 0.749 30 20 BCED CC(C)(C)C(=O)NCCN=c1nc[nH]cc1C#N 580918041 PIMMWDUHQSOBJW-UHFFFAOYSA-N 247.302 0.344 30 20 BCED C[C@H](C#N)CNC(=O)NCCC1(O)CCC1 582956740 SATXEHFVGGTMOQ-SECBINFHSA-N 225.292 0.750 30 20 BCED C=C[C@@H]1OCCC[C@H]1N=c1cc[nH]c(C#N)n1 584301923 KYSSWEMPMGPPJC-ZJUUUORDSA-N 230.271 0.916 30 20 BCED N#Cc1c[nH]c(C(=O)N2CC(C#N)C2)c1 590481244 BFIAVGUOPGYWBG-UHFFFAOYSA-N 200.201 0.482 30 20 BCED N#Cc1cncnc1N1CC[C@](F)(C#N)C1 591933921 NFEVPESNROLYRT-JTQLQIEISA-N 217.207 0.790 30 20 BCED CC[C@](C)(C#N)C(=O)N1CC[C@@](O)(CC#N)C1 592851905 FZYLROMCXGTDHF-NEPJUHHUSA-N 235.287 0.803 30 20 BCED CC[C@@H](C#N)C(=O)N1CC(=O)N(CC2CC2)C1 593666502 VIUIMDSJLPFHSV-JTQLQIEISA-N 235.287 0.574 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H]1C(=O)NCC[C@H]1C 593683071 XITWNFZRKAIEDN-HLTSFMKQSA-N 223.276 0.177 30 20 BCED CCN1CC[C@H](N(CC)CCC#N)C1=O 595331799 DCEPMYUBYBIERP-JTQLQIEISA-N 209.293 0.843 30 20 BCED C[C@@H](C[C@H]1CCOC1)Nc1cc(C#N)cnn1 596161370 WAPFQUVZVKSCQG-VHSXEESVSA-N 232.287 1.575 30 20 BCED C[C@H](Nc1cc(C#N)cnn1)C(=O)OC(C)(C)C 596181916 HNYVNHJDXDNMBK-QMMMGPOBSA-N 248.286 1.490 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](C)[C@@H](CO)SC 597392457 BRSAGWNIFBRBNY-XKSSXDPKSA-N 233.333 0.152 30 20 BCED N#CCCCCCC(=O)Nc1nnc2nc[nH]n12 597663910 UVZQKHZMVYOYDI-UHFFFAOYSA-N 247.262 0.865 30 20 BCED N#CC1(NC(=O)CSCCC(N)=O)CCC1 600605758 LTOJOIOILRLOBQ-UHFFFAOYSA-N 241.316 0.157 30 20 BCED CN(C)CCn1cc(C(=O)NCCCC#N)cn1 601428715 LQTNDQTVUXFWIH-UHFFFAOYSA-N 249.318 0.478 30 20 BCED CCN([C@@H](C)C#N)S(=O)(=O)CCCN(C)C 601468181 KKLKCVFSHYXPLD-JTQLQIEISA-N 247.364 0.502 30 20 BCED CC1CCN(CC(=O)Nc2n[nH]cc2C#N)CC1 601640082 UNNNDEKGGLCRLC-UHFFFAOYSA-N 247.302 0.952 30 20 BCED CO[C@@]1(CN2CC[C@](F)(C#N)C2)CCOC1 602632184 WSBHQWVSCLCNPQ-WDEREUQCSA-N 228.267 0.729 30 20 BCED CO[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCO1 602901122 YSUFCLQRHIGPSC-VWYCJHECSA-N 210.277 0.983 30 20 BCED N#CCc1ccc(NC(=O)C2(C(N)=O)CC2)cc1 609155958 XIYDZQAILNTXNK-UHFFFAOYSA-N 243.266 0.957 30 20 BCED CCN(CCC#N)C(=O)[C@H]1CCN(C)C1=O 613903715 HRSBPKVBMIWDRV-VIFPVBQESA-N 223.276 0.227 30 20 BCED C=C[C@H](C(=O)OC)N1CCN(CCC#N)CC1 619720085 ZSCMUCSBWNEIQM-LLVKDONJSA-N 237.303 0.245 30 20 BCED CC#CC[C@H](CO)NC(=O)N[C@H]1CO[C@@H](C)C1 645894815 KDMIDYXNGBUYKL-HBNTYKKESA-N 240.303 0.237 30 20 BCED C=C[C@H](O)C(=O)NCC(C)(C)CN(C)C 646574834 WUFXTXDDWXKJAB-VIFPVBQESA-N 214.309 0.237 30 20 BCED CC#CCN(C)C(=O)C1(C(=O)NC2CC2)CC1 647541891 JHAZFAZNGMHRDZ-UHFFFAOYSA-N 234.299 0.527 30 20 BCED C=CCCOCCNC(=O)NC/C=C/CO 664536251 VLLJQNOQOUJSGZ-SNAWJCMRSA-N 228.292 0.427 30 20 BCED C=CCNC(=O)[C@@]1(c2ccccc2)CNC(=O)C1 665115360 IXGGGOSPFASANC-CQSZACIVSA-N 244.294 0.747 30 20 BCED C=C[C@](C)(O)C(=O)N1CCOC(C)(C)C1 666314516 SLMJGDVFFAXUEQ-NSHDSACASA-N 213.277 0.561 30 20 BCED C=CCOCCNC(=O)N1C[C@@H](C)NC[C@@H]1C 669555427 XUKBTERYKSIJKZ-MNOVXSKESA-N 241.335 0.581 30 20 BCED N#CC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 700851305 DIQQRZIDWYOGAU-SECBINFHSA-N 221.260 0.027 30 20 BCED CC(=O)N[C@@H](C)C(=O)N1CCC(CC#N)CC1 701006716 GRHZYNQGNXVLJQ-VIFPVBQESA-N 237.303 0.663 30 20 BCED C=CC[C@@H]1CCN(C[C@@H](O)CC(=O)O)C1 705834683 LTPYLPYHPWWZHP-ZJUUUORDSA-N 213.277 0.720 30 20 BCED CON1CCC(NC(=O)C(C)(C)C#N)CC1 709349168 AGVMWUJYXSXACR-UHFFFAOYSA-N 225.292 0.678 30 20 BCED C=CCCS(=O)(=O)N[C@H]1COC[C@@H]1C 710261300 NIAKPKBIGCXDCY-IUCAKERBSA-N 219.306 0.517 30 20 BCED C#CC[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc21 717711850 VDOSFYAOBIDLAX-WCQYABFASA-N 229.279 0.827 30 20 BCED C#CCC[C@H](O)CNC(=O)c1cc(C)nn1C 717843777 HWKWVFWUVBFPNN-JTQLQIEISA-N 235.287 0.233 30 20 BCED C#CCC[C@@H](O)CNC(=O)C[C@H](C)COC 717904439 SQFNWEWRWGBOPE-WDEREUQCSA-N 227.304 0.550 30 20 BCED C=CCNC(=S)NCCS(=O)(=O)CC 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0.038 30 20 BCED Cc1nc(CCN[C@@H]2CC[C@@H](C#N)C2)n[nH]1 309838682 CAKRVZVSXCBAQF-NXEZZACHSA-N 219.292 0.938 30 20 BCED CO[C@@H]1CCC[C@H](C(=O)NCC#CCO)C1 412325973 ZCJSFKGBMCFFIL-WDEREUQCSA-N 225.288 0.304 30 20 BCED CN(C)C(C)(C)CNC(=O)[C@@H](N)CCCC#N 424127124 AOPZOTZOGSZXQO-JTQLQIEISA-N 240.351 0.464 30 20 BCED CN1CCC[C@H](N2CCC(C#N)CC2)C1=O 539811872 OMRDNANEZOOGPE-NSHDSACASA-N 221.304 0.843 30 20 BCED C[C@@H]1OCC[C@H]1C(=O)N(CC#N)C1CC1 335103424 KROAFJXPUBVVKI-WCBMZHEXSA-N 208.261 0.926 30 20 BCED N#CC1(C(=O)N2CC(O)(C(F)F)C2)CCC1 335535336 RFDSCEJHHBTDEH-UHFFFAOYSA-N 230.214 0.519 30 20 BCED C=CCNC(=O)CN1CCC[C@@H]2COC[C@@H]21 657303671 YVNQGROETRQSCT-MNOVXSKESA-N 224.304 0.399 30 20 BCED CN(CC(=O)NCc1ccccc1)C(=O)CC#N 356819472 DRMNKUUWHYWGAR-UHFFFAOYSA-N 245.282 0.675 30 20 BCED C#C[C@H](NC(=O)c1nnn(C)c1C)C(C)(C)C 491266709 QGANYFFWMBNZKQ-VIFPVBQESA-N 234.303 0.901 30 20 BCED Cc1ccc(C#N)c(N2CCN[C@@H](CCO)C2)n1 710473889 MTMFZSPECGPVMG-LBPRGKRZSA-N 246.314 0.422 30 20 BCED CC[C@@H](C#N)C(=O)N1CCO[C@@H](CF)C1 593743832 MGRQZWYAYHHAFO-IUCAKERBSA-N 214.240 0.733 30 20 BCED C#CC1CCN(C(=O)Cc2ccn(C)n2)CC1 695380164 KPPDJPJERIVSRJ-UHFFFAOYSA-N 231.299 0.834 30 20 BCED C#CC[C@H](CO)NC(=O)c1c(C)cccc1O 717794300 NYHDRWAHRPSXGC-SNVBAGLBSA-N 233.267 0.815 30 20 BCED C#CCC[C@H](O)CNC(=O)CC[C@H]1CCCO1 717847613 AWKIUTAVLROCFR-NWDGAFQWSA-N 239.315 0.836 30 20 BCED C#CCC[C@@H](O)CNc1ncnc2c1cnn2C 717922646 ZCBODEDKVJVADK-SECBINFHSA-N 245.286 0.550 30 20 BCED C#CCC[C@H](O)CNc1nccn2c(C)nnc12 717921792 VEPYXXANUAESMG-JTQLQIEISA-N 245.286 0.619 30 20 BCED COC(=O)N1CCN(c2cc(C#N)ncn2)CC1 387087235 GFJVEFFRQVQKFH-UHFFFAOYSA-N 247.258 0.237 30 20 BCED Cc1ncc(C(=O)N[C@@H](C)CC#N)n1C 900432784 HIVANUYFTKLDSV-ZETCQYMHSA-N 206.249 0.761 30 20 BCED Cn1cncc1CNC(=O)c1ccc(C#N)cn1 388442051 HSNHOPAHUNCHMP-UHFFFAOYSA-N 241.254 0.617 30 20 BCED C[C@H](C#N)OCCN(C)CCN(C)C1CC1 801942111 IOEBIBBVFUZDKD-LLVKDONJSA-N 225.336 0.941 30 20 BCED Cn1nc(N)cc1C(=O)N1CCC[C@@H](C#N)C1 725175691 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C=CCN(C(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 98100915 UBHLKBXGRXDENA-SNVBAGLBSA-N 245.344 0.844 30 20 BCED CC[C@H](C)N/C(N)=N/CCc1nc(C)no1 102712945 MUFAYCQBIUNSAV-ZETCQYMHSA-N 225.296 0.623 30 20 BCED CCN(CC)/C(N)=N/CCC(=O)N(C)C 104173806 FIYOUKZINFFMEA-UHFFFAOYSA-N 214.313 0.121 30 20 BCED C#CCNCC(=O)NCc1ccc(C)c(F)c1 105996934 IJRXNZODWXVDSN-UHFFFAOYSA-N 234.274 0.973 30 20 BCED C#CCNC(=O)CN(CC1CC1)C(C)C 107836078 WHSFKMSRBBQCSR-UHFFFAOYSA-N 208.305 0.856 30 20 BCED C#CCNC(=O)NC[C@H](O)c1ccccc1C 112387070 MGNUXYMQKABLKX-LBPRGKRZSA-N 232.283 0.961 30 20 BCED C=CCC(CC=C)C(=O)NCC(=O)NC 121336204 GSCJBGCCCAEPCD-UHFFFAOYSA-N 210.277 0.617 30 20 BCED COCCNC(=S)N(CCC#N)CCOC 122410010 WOUHUVFDSCHWFC-UHFFFAOYSA-N 245.348 0.369 30 20 BCED CCN(C[C@@H](C)C#N)S(=O)(=O)NC(C)C 129120923 JIQNGPNMCGULIR-VIFPVBQESA-N 233.337 0.711 30 20 BCED C#CCOCCC(=O)N(C)[C@H](C)CC#N 130628006 SQQXTMHVGSKDLW-SNVBAGLBSA-N 208.261 0.787 30 20 BCED N#Cc1ccc([C@H](O)CN[C@@H]2CCOC2)cc1 131424313 UZKIVXRBXGDJAG-CHWSQXEVSA-N 232.283 0.970 30 20 BCED C#CCNC(=O)N1CCOC2(CCOCC2)C1 134755462 CZEJRKMIPAZUBN-UHFFFAOYSA-N 238.287 0.211 30 20 BCED CCC(C#N)(CC)C(=O)NCCOC(N)=O 135228275 UPFQCROFNRIWCG-UHFFFAOYSA-N 227.264 0.528 30 20 BCED CC#CCNC(=O)N[C@H](C)CO[C@H]1CCOC1 135684258 DJYPKNKUWHOGCD-MNOVXSKESA-N 240.303 0.503 30 20 BCED CNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)COC2 138609637 GHMIWZPVXUAWTQ-LLVKDONJSA-N 244.250 0.785 30 20 BCED Cn1ncnc1NC(=O)C1(C#N)CCCC1 151043374 RVGCIZNZBURULX-UHFFFAOYSA-N 219.248 0.838 30 20 BCED CC1CCN(CCN2CCO[C@@H](C#N)C2)CC1 153849303 LFTOIKHLHRELMB-ZDUSSCGKSA-N 237.347 0.943 30 20 BCED CC#CCCN1C[C@@H](OC)C[C@@H]1C(=O)OC 155678335 FBNCNJPWJXFGMF-WDEREUQCSA-N 225.288 0.662 30 20 BCED C=CCOCCCC(=O)N1CCC[C@@H](N)C1 158152295 ZAEDJMIXOWDVCR-LLVKDONJSA-N 226.320 0.919 30 20 BCED C=CCCCN(C)C(=O)C[C@@H]1CNCCO1 158404152 UMSZPHTYHNBKMM-LLVKDONJSA-N 226.320 0.790 30 20 BCED CC#CCCNC(=O)[C@@H](C)n1cncn1 164588340 HRTFGAGPDRJIOK-SECBINFHSA-N 206.249 0.369 30 20 BCED C#CCNCC(=O)Nc1ccc(C)nc1 164834716 ULLIUYFRKHFCHM-UHFFFAOYSA-N 203.245 0.551 30 20 BCED C#C[C@@H](C)Nc1ncc(C(=O)O)c(C)n1 166870300 JCSGEMMUYKEYNC-ZCFIWIBFSA-N 205.217 0.917 30 20 BCED C=CCNS(=O)(=O)C[C@H]1CCCCO1 170653792 BHKBMJFARQBPGB-SECBINFHSA-N 219.306 0.661 30 20 BCED C/N=C(/NCC1CCOCC1)NC1CC1 171410967 IXCIXMRQJZLBST-UHFFFAOYSA-N 211.309 0.740 30 20 BCED C=CCN1CCC(NC(=O)Cc2ccn[nH]2)CC1 173160653 ZUYNAXHTGSDZGH-UHFFFAOYSA-N 248.330 0.719 30 20 BCED CS(=O)(=O)CCN(CCC#N)CC1CC1 176257412 XYHYHKZLUSTGLY-UHFFFAOYSA-N 230.333 0.657 30 20 BCED Cc1nc(O)ccc1C(=O)NC[C@@H](C)C#N 178479969 SLTZNDNVRYLWPO-ZETCQYMHSA-N 219.244 0.985 30 20 BCED C[C@@H](C#N)CNC(=O)[C@H](O)c1ccccc1 179214564 DYFLCMMPJIQHGZ-GXSJLCMTSA-N 218.256 0.996 30 20 BCED CN1CC[C@H](Cn2cnc(C#N)c2C#N)C1 191215865 SSFYXPLMILCDOR-VIFPVBQESA-N 215.260 0.578 30 20 BCED C/C=C/C=C\C(=O)OCC(=O)NCCC#N 213507096 VGOTZSNLLZLNFJ-ZPYFUIHZSA-N 222.244 0.692 30 20 BCED C=C(Cl)CNC(=O)Cn1cncn1 227646480 IDWFVPYCIMIOCV-UHFFFAOYSA-N 200.629 0.147 30 20 BCED CC[C@](C)(C#N)C(=O)NCC[S@@](C)=O 229226744 GQSGCXIUJSZICK-YMTOWFKASA-N 216.306 0.421 30 20 BCED C#C[C@H](C)NS(=O)(=O)c1cnc(C)s1 235525051 RJRLBQIFPLEVCK-LURJTMIESA-N 230.314 0.752 30 20 BCED C=CCN(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 249473682 SPYKOUVTHUMKMA-UWVGGRQHSA-N 248.348 0.458 30 20 BCED C[C@@H](CC#N)NC(=O)[C@H]1CCCCN1C 259843575 FMKWJLCCPVHXPN-VHSXEESVSA-N 209.293 0.889 30 20 BCED COCCC1(C/N=C2/NCCN2C)CC1 261538563 YNPKDTVLXDXCBR-UHFFFAOYSA-N 211.309 0.694 30 20 BCED N/C(=N\Cc1nnc2n1CCCCC2)NC1CC1 261778827 NTSNNSDSVKCPHT-UHFFFAOYSA-N 248.334 0.571 30 20 BCED COC[C@H](C)N/C(N)=N/Cc1ccccn1 262176517 BBZNUKWGFVWHDN-VIFPVBQESA-N 222.292 0.521 30 20 BCED C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)O)C1CC1 262189426 UBOZIVSNZWDZLC-WPRPVWTQSA-N 241.287 0.947 30 20 BCED Cc1cccc(CC/N=C2\NCCN2C)n1 262658596 MIBVRUNFQJKCRZ-UHFFFAOYSA-N 218.304 0.824 30 20 BCED CO[C@H](C/N=C(\N)NC1CCC1)C1CC1 263080231 HQEIYSPETJORHM-SNVBAGLBSA-N 211.309 0.868 30 20 BCED C=CCN/C(N)=N/CCN(C)[C@@H](C)CC 264322377 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30 20 BCED C[C@@H](C#N)C(=O)Nc1nc2n(n1)CCCC2 1637955887 TYWOLRYOINDHCW-ZETCQYMHSA-N 219.248 0.713 30 20 BCED CNCCN(C)C(=O)c1nc(O)c(C#N)cc1C 1578704095 KFBRMWVIMBCJRV-UHFFFAOYSA-N 248.286 0.259 30 20 BCED N#CC[C@H](C(=O)NC1CNC1)c1ccccc1 1574241527 NAWYEMFPKVZOKG-LBPRGKRZSA-N 229.283 0.772 30 20 BCED CC(C)(C#N)CNC(=O)[C@H](N)Cc1ccccn1 1575098792 DXCMKMCWZKPQBO-LLVKDONJSA-N 246.314 0.617 30 20 BCED C[C@@H](CC#N)N(C)C(=O)C(C)(C)n1ccc(N)n1 1575910802 BATCFUFIQPSRJQ-VIFPVBQESA-N 249.318 0.961 30 20 BCED C=C(CN(C)C)C(=O)NC1(C(=O)O)CCC1 1573340009 ZRSNWXDNYKZYPJ-UHFFFAOYSA-N 226.276 0.228 30 20 BCED C[C@@H]1CNC[C@H]1NC(=O)NCC1(C#N)CCC1 1579465027 WERFFMFDJAIOGW-NXEZZACHSA-N 236.319 0.587 30 20 BCED C#CCO[C@@H](C)C(=O)OC1CC(CC(=O)O)C1 1588490559 PNQQCRRPILTXLV-IDKOKCKLSA-N 240.255 0.821 30 20 BCED C=CCCC[C@@H](N)C(=O)NC1(CC(=O)O)CC1 1588787369 VZWWJWCNWIKSFE-SECBINFHSA-N 240.303 0.794 30 20 BCED CC[C@H](C#N)N(C)C(=O)[C@@H]1CC[C@@H]1C(=O)O 1589426533 MCQBEGTXHSUHGY-HLTSFMKQSA-N 224.260 0.858 30 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C=CCNCCNC(=O)[C@H]1Cc2ccccc2O1 1131018843 IGPAOBXWEIXIDK-CYBMUJFWSA-N 246.310 0.882 30 20 BCED C=CCCNCCNC(=O)c1cn(C)ccc1=O 1131162280 XTBFCVWDLSNHOX-UHFFFAOYSA-N 249.314 0.281 30 20 BCED C#CCNCCNC(=O)c1ccc2cncn2c1 1131370689 RRJJKGMXYILUPF-UHFFFAOYSA-N 242.282 0.287 30 20 BCED C#CCN[C@@H](C)C[C@@H](C)NC(=O)Cc1cc[nH]n1 1133974634 OILSUUWSEDDBRC-WDEREUQCSA-N 248.330 0.458 30 20 BCED CCn1nc(C)c(C(=O)NCCNCC#N)c1C 1135409015 GEUQNVBLMJIBSR-UHFFFAOYSA-N 249.318 0.363 30 20 BCED C#CCN[C@@H](C)C[C@@H](C)NC(=O)c1ncccn1 1135726012 SPTOQYZZFSRLSD-WDEREUQCSA-N 246.314 0.596 30 20 BCED CC#CCCCC(=O)N1C[C@@H](CO)[C@H](CO)C1 1148876455 LWWUMORXMZSYIW-RYUDHWBXSA-N 239.315 0.239 30 20 BCED C#CCN1CCCO[C@H](CNC(=O)CCC)C1 1149014243 SEESPABLTSVRJB-GFCCVEGCSA-N 238.331 0.627 30 20 BCED C=CCC1(C(=O)NCCNCCO)CCCC1 1153814107 QKYTYJGQZKIFAC-UHFFFAOYSA-N 240.347 0.821 30 20 BCED C=CCCN[C@@H]1CCN(C(=O)COCC=C)C1 1181628081 YJVYCEBKPVANSR-GFCCVEGCSA-N 238.331 0.956 30 20 BCED C#CCN(C)[C@H]1CCN(C(=O)COCC)C1 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BCED C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C 1338181381 JSYPZHNXWSXBLV-VIFPVBQESA-N 242.286 0.730 30 20 BCED C[C@H](O)Cc1nnc(N2CCC(C#N)CC2)n1C 1338258780 ZFNKFUKAGMESAP-VIFPVBQESA-N 249.318 0.478 30 20 BCED C#Cc1ccc(NCCOCCO)nc1 1339498205 DCEOCHZRLRSWAC-UHFFFAOYSA-N 206.245 0.484 30 20 BCED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1F 1343473099 GEFRDPULXSGUSK-YIZRAAEISA-N 242.250 0.206 30 20 BCED C=CC[C@H](CO)CNC(=O)c1cc(N)ccn1 1346734177 DLAOPFJLWNXULN-VIFPVBQESA-N 235.287 0.578 30 20 BCED C=C(CC)C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 1347715571 DAEVJCVEWMPBRM-UWVGGRQHSA-N 241.287 0.335 30 20 BCED C#CCn1cc(CNC(=O)[C@H](C)C#N)cn1 1347764575 WCNAGPKENQCBJD-SECBINFHSA-N 216.244 0.292 30 20 BCED C=C[C@@H](COC)NC(=O)[C@@H](CC)NC(C)=O 1351836629 QUVWIVKEHDKQHZ-VHSXEESVSA-N 228.292 0.218 30 20 BCED C[C@@H](N)CNC(=O)c1cscc1C#N 1353632230 ANJGELVIOWVPIP-ZCFIWIBFSA-N 209.274 0.697 30 20 BCED N#CCCCC(=O)OC[C@H]1CCCNC1=O 1515336331 RFRBRLMAEWUSPE-SECBINFHSA-N 224.260 0.750 30 20 BCED 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CNC(=O)C/C(N)=N/OCCc1ccc(C)cc1 123328263 QQBIPBUVAFMSAO-UHFFFAOYSA-N 249.314 0.962 30 20 BCED C=CCCS(=O)(=O)NC[C@@H](C)C(=O)OC 124796331 CHNNJVDQJSRVCD-MRVPVSSYSA-N 235.305 0.291 30 20 BCED C[C@H](C#N)NC(=O)Cc1ccc2c(c1)OCO2 125106984 QWSLMWGFAOYMGB-MRVPVSSYSA-N 232.239 0.986 30 20 BCED N#CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 126723627 LFNDPMLKGPBFCL-UHFFFAOYSA-N 238.178 0.569 30 20 BCED C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1O 127063108 QKKGMFUPHIDCNM-RKDXNWHRSA-N 228.317 0.472 30 20 BCED C=CCN(C)CCCN1C(=O)NC(C)(C)C1=O 127139953 HETWWOYWXUBRBV-UHFFFAOYSA-N 239.319 0.825 30 20 BCED C=CC[C@@H](NC(=O)CNC(C)(C)C)C(=O)O 127712748 MPZJIQRMYWUENE-MRVPVSSYSA-N 228.292 0.520 30 20 BCED CCOC(=O)CNC(=O)c1sccc1C#N 128167448 RLDXABBEDHHSRF-UHFFFAOYSA-N 238.268 0.913 30 20 BCED N#C[C@@H](C(=O)NC1CC1)C(=O)C1CCC1 129073805 HEBHUEXDUQUFPQ-SECBINFHSA-N 206.245 0.774 30 20 BCED C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1O 132521231 UMTMZYIMAHPXHJ-DCAQKATOSA-N 227.304 0.997 30 20 BCED CC#CCNC(=O)NC[C@H]1CCN(C2CC2)C1 135613467 KMLUILLYJIQFBP-LLVKDONJSA-N 235.331 0.793 30 20 BCED C=CCOCCCC(=O)NCC1(CO)CC1 137076953 JZZMWGZBELMJMK-UHFFFAOYSA-N 227.304 0.858 30 20 BCED C=CCCOCC(=O)N1CCC[C@H](C(N)=O)C1 143586518 PMBUCPDONSRAGT-JTQLQIEISA-N 240.303 0.303 30 20 BCED C[C@H]1CO[C@@H](CO)CN1CCCSCC#N 153289686 TZUPARDDGAKWIO-WDEREUQCSA-N 244.360 0.715 30 20 BCED CC#CCNC(=O)c1[nH]ncc1Br 154496020 VFMJOKYWXWBRKH-UHFFFAOYSA-N 242.076 0.925 30 20 BCED C#CCCCCNC(=O)NCC1(CO)CC1 154908110 UQZBEDKSNJFQJA-UHFFFAOYSA-N 224.304 0.862 30 20 BCED Cc1cc(C#N)cc(N2CCO[C@H](C#N)C2)n1 160929701 KCKKAVHTZXRWLT-LLVKDONJSA-N 228.255 0.990 30 20 BCED C=C[C@@H](C)NS(=O)(=O)CC1(C#N)CC1 165981857 DZDUOTADAUMSOL-MRVPVSSYSA-N 214.290 0.784 30 20 BCED Cc1nccc(CNC(=O)c2cc(C#N)c[nH]2)n1 175378754 OKJHSDCVVSFCQC-UHFFFAOYSA-N 241.254 0.915 30 20 BCED C=CCCCC(=O)N1CCS(=O)CC1 175573503 UCNLCMXZAUEDNK-UHFFFAOYSA-N 215.318 0.934 30 20 BCED C=CCN(CC=C)C(=O)CN1CC[C@](C)(O)C1 177976203 NKYVFFTWJMQZNN-ZDUSSCGKSA-N 238.331 0.644 30 20 BCED C#C[C@H](C)NC(=O)CCCC(=O)NCCC 185317008 NYNATJSJXIHTBI-JTQLQIEISA-N 224.304 0.821 30 20 BCED C#C[C@@H](C)NC(=O)c1cc(N(C)C)ccn1 186328508 ISUQWQCMSRBEKX-SECBINFHSA-N 217.272 0.899 30 20 BCED C/C(=C\C(=O)N1CC(O)(CC#N)C1)C1CC1 186825014 LBSJPGWAZINUTL-RMKNXTFCSA-N 220.272 0.830 30 20 BCED COC(=O)Cc1cccc(C(=O)NCC#N)c1 188872850 IVZRWUOUPKQVCC-UHFFFAOYSA-N 232.239 0.655 30 20 BCED C[C@@H](CCO)NCc1cc(C#N)n(C)c1 189597033 UUDMGMRWCCMKSG-VIFPVBQESA-N 207.277 0.757 30 20 BCED C#CCCCCC(=O)NCc1nnc[nH]1 222914667 ANNDDYKJSXTIHK-UHFFFAOYSA-N 206.249 0.615 30 20 BCED C#C[C@@H](CCC)NC(=O)N1CC[C@@H](C(=O)O)C1 230017475 UMBYTPBCHKBTRX-ZJUUUORDSA-N 238.287 0.904 30 20 BCED C=CCN(CC(=O)O)C(=O)N[C@@H]1CCSC1 231368921 SVTBGNIQYBJWFC-MRVPVSSYSA-N 244.316 0.774 30 20 BCED COC[C@H](N)C(=O)Nc1ccc(C#N)c(C#N)c1 234733927 VQIRRNUCYBECBI-NSHDSACASA-N 244.254 0.342 30 20 BCED Cn1cncc1C(=O)N1CCC[C@@H](C#N)C1 236068703 IYHLVZYAJFYPGE-VIFPVBQESA-N 218.260 0.796 30 20 BCED CCO[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)NC(C)C 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20 BCED C#C[C@@H](C)NS(=O)(=O)c1cnn(CC)c1 277679727 IPOJZCHSQKHLSX-MRVPVSSYSA-N 227.289 0.203 30 20 BCED C=C[C@@](C)(O)CC(=O)NCCCOCC 278510648 BKKZXUUVMQOKAB-LLVKDONJSA-N 215.293 0.856 30 20 BCED C=CCN1CC[C@H](N(C)C(=O)COCC)C1=O 281428190 QLVCUYBOTCGVHH-JTQLQIEISA-N 240.303 0.268 30 20 BCED C[C@@H]1CN/C(=N\C[C@H](O)Cc2ccccc2)N1 285080417 NEFAOGYQSVCOCY-ZYHUDNBSSA-N 233.315 0.527 30 20 BCED CN(CCC(N)=O)c1nc2ccccn2c1C#N 286226621 CFOBWBJLXCPVQB-UHFFFAOYSA-N 243.270 0.518 30 20 BCED CN(CCC(N)=O)c1cnccc1C#N 286374362 LRAQZOWQCNASPN-UHFFFAOYSA-N 204.233 0.265 30 20 BCED C#CCN(CC)C(=O)NCCC1(O)CCC1 287785331 IFIUMWXTHMJVOG-UHFFFAOYSA-N 224.304 0.956 30 20 BCED COC(=O)C[C@@H](C)CC(=O)NCCCC#N 290502167 YFUIJHMKYOBXHV-VIFPVBQESA-N 226.276 0.996 30 20 BCED Cc1nc(N2C[C@@H](O)C[C@H]2CO)ccc1C#N 291787559 CZSBTTXYFSITRD-QWRGUYRKSA-N 233.271 0.194 30 20 BCED Cc1nc(N2CC[C@H](NC(N)=O)C2)ccc1C#N 292022789 SVQOSMJTTPWSPN-JTQLQIEISA-N 245.286 0.509 30 20 BCED C#C[C@H](C)NC(=O)NCc1c[nH]nc1C 292479857 QAVJOPIXSBAXAV-ZETCQYMHSA-N 206.249 0.539 30 20 BCED C=CCC(C)(C)C(=O)N(C)CCC(N)=O 292592072 ZIIFSOABZYOAKM-UHFFFAOYSA-N 212.293 0.923 30 20 BCED CC(C)(CO)ONC(=O)c1cccc(C#N)c1 297265741 ROTKHYDNELYPRA-UHFFFAOYSA-N 234.255 0.991 30 20 BCED COCC[C@@H](CO)NC(=O)C1(C#N)CCC1 304145125 LAGFPXASIQZDFG-VIFPVBQESA-N 226.276 0.194 30 20 BCED C#CCNC(=S)N[C@@H]1CSC[C@@H]1C 306572822 PNQOHNIBNMRAIA-JGVFFNPUSA-N 214.359 0.835 30 20 BCED C=C(Br)CNC(=O)C1(C)CNC1 307715282 HDCPPZBPFUKUQR-UHFFFAOYSA-N 233.109 0.621 30 20 BCED CCc1nc(C#N)cc(N[C@@H]2CCNC2)n1 308241985 KYXDSNFCTQPUQK-MRVPVSSYSA-N 217.276 0.684 30 20 BCED C=C[C@H](C)NS(=O)(=O)[C@H](C)COC 308309484 QHCODSQDLXSJHV-JGVFFNPUSA-N 207.295 0.515 30 20 BCED CC(C)[C@@H](CCO)NCCO[C@@H](C)C#N 308828882 SLKZOKKIHJXFEF-WDEREUQCSA-N 214.309 0.912 30 20 BCED CN1CC[C@@H]2CN(c3nccnc3C#N)C[C@@H]2C1 310778902 BDFGRQLFXMIHTD-MNOVXSKESA-N 243.314 0.736 30 20 BCED COCCN(CC#N)C[C@@H](O)CN(C)C(C)C 316499029 QQXAPCHFUPVIRQ-LBPRGKRZSA-N 243.351 0.159 30 20 BCED CCC(C#N)(CC)C(=O)N1C[C@@H](O)[C@@H](CO)C1 317569100 OMEZUZZYOYILEN-NXEZZACHSA-N 240.303 0.128 30 20 BCED CN1CCOC[C@@H]1/C(O)=N/C[C@@H]1CCCCO1 328962218 QTYNDUQUUZNJTL-WDEREUQCSA-N 242.319 0.843 30 20 BCED N#Cc1c[nH]ccc1=NC(=O)[C@@H]1C[C@]12CCOC2 329599746 JWCJXNYQUVCKTQ-GWCFXTLKSA-N 243.266 0.740 30 20 BCED CN1CCO[C@H](C/N=C(/O)[C@]2(C)CCOC2)C1 329699582 ZEDCHFJKEBPOIP-ZYHUDNBSSA-N 242.319 0.700 30 20 BCED C[C@@H]1CN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C[C@@H](C)O1 329992898 KWARYBRPDNYYCE-APLZJWDSSA-N 240.303 0.654 30 20 BCED CCC[C@@H](/N=C(/O)c1cnnn1C)C(=O)OC 330408599 XQCFYRUNCWLHPF-SSDOTTSWSA-N 240.263 0.461 30 20 BCED C=C[C@](C)(O)CC(=O)NCC1(O)CCCC1 330700454 YKOISZIELYQTLK-NSHDSACASA-N 227.304 0.735 30 20 BCED C[C@H](CO)C/N=C(/O)NC[C@]1(C)CCOC1 330758087 IOLYOXISNALIAI-ONGXEEELSA-N 230.308 0.545 30 20 BCED CC#CCNC(=O)[C@@H]1CC[C@H](C(=N)O)O1 330762737 PHAQWBXVZIOSFY-SFYZADRCSA-N 210.233 0.209 30 20 BCED CN1C(=O)CC[C@H](N[C@H]2CC[C@@H](C#N)C2)C1=O 333551959 JOYSLODJIPWJGJ-UTLUCORTSA-N 235.287 0.416 30 20 BCED Cn1ncn(Cc2cc(F)ccc2C#N)c1=O 334433258 XKUSKOZIOFFXPT-UHFFFAOYSA-N 232.218 0.641 30 20 BCED C[C@H]1CN(C(=O)C2(C#N)CCCC2)CC(=O)N1C 334464536 SQXVGYUBGBHNBL-JTQLQIEISA-N 249.314 0.759 30 20 BCED CC(=O)N1CCN(C(=O)[C@H](C)C#N)[C@H](C)C1 335833884 KXUYVADPXKJVID-RKDXNWHRSA-N 223.276 0.225 30 20 BCED N#C[C@H]1CSCCN1S(=O)(=O)C1CC1 336601940 SRTCLNQEPXKLRY-ZETCQYMHSA-N 232.330 0.420 30 20 BCED COC[C@@H](CO)N=c1cc(C)[nH]c(C#N)c1 336721428 ZTPJJUPJLZSFFJ-LLVKDONJSA-N 221.260 0.103 30 20 BCED Cn1c([C@@H](C#N)C(N)=O)nc2ccccc21 340760658 MUYYOHCIWDRZNM-ZETCQYMHSA-N 214.228 0.666 30 20 BCED CCN(CCC#N)C(=O)C[S@@](=O)CC 346221929 KVKWEBBGQIUGIX-AWEZNQCLSA-N 216.306 0.517 30 20 BCED C=C[C@@](C)(O)CC(=O)NCC(O)(CC)CC 346366915 IFNWBAOHRLHLNT-LLVKDONJSA-N 229.320 0.981 30 20 BCED C=CCCS(=O)(=O)N1C[C@@H](O)[C@H](C)C1 350802932 QBBRLBRPVCQGMX-RKDXNWHRSA-N 219.306 0.205 30 20 BCED N#CCSCCCN1CCc2nn[nH]c2C1 351610783 XQXYEPYKPVOXFG-UHFFFAOYSA-N 237.332 0.810 30 20 BCED C=CCOCC(=O)NCCNC(=O)C(C)(C)C 354855781 VCRNJWFZYSLVKK-UHFFFAOYSA-N 242.319 0.468 30 20 BCED CC[C@H](O)CNC(=O)CNc1ccc(C#N)cc1 355740205 FYLXYORZGGTONT-LBPRGKRZSA-N 247.298 0.857 30 20 BCED C[C@@H]1OCC[C@@H]1C(=O)N1CCOC[C@H]1C#N 355957611 CKCFGEKJOXUFLM-AEJSXWLSSA-N 224.260 0.162 30 20 BCED Cn1ncn(CC(=O)c2ccc(C#N)cc2)c1=O 358271689 DWEQMEWRTVQLGQ-UHFFFAOYSA-N 242.238 0.336 30 20 BCED CC[C@H](C)[C@@H](O)C(=O)N[C@@]1(C#N)CCOC1 358480133 VNVYACAIPJFZET-IQJOONFLSA-N 226.276 0.192 30 20 BCED C#CCN1C[C@H](C)O[C@@]2(CCCOC2)C1 366562857 BCGZEPJETSJFGH-RYUDHWBXSA-N 209.289 0.890 30 20 BCED C#CCNC(=O)c1cn(C)nc1-c1cnn(C)c1 368701767 MARHRCAKAMIMCW-UHFFFAOYSA-N 243.270 0.184 30 20 BCED N#CCN1CCC[C@@H](N2CCCCC2=O)C1 369273568 HPCHVDHDBBAZJZ-LLVKDONJSA-N 221.304 0.987 30 20 BCED C#CCCNC(=O)c1cc(C)[nH]c(=NC)n1 381449518 GYFCYHKKKQXGGN-UHFFFAOYSA-N 218.260 0.002 30 20 BCED CC1CC(C#N)(C(=O)N2CC(CN(C)C)C2)C1 382117387 ARLSIINJOWFDIL-UHFFFAOYSA-N 235.331 0.946 30 20 BCED CN1CC[C@@]2(CCN(c3ncncc3C#N)C2)C1 386697486 PEIZVCLMXIMRDE-CYBMUJFWSA-N 243.314 0.880 30 20 BCED C[C@@H](C#N)OCCN[C@@H](CO)C(C)(C)C 389687787 GWDAZLMYNHTLIY-UWVGGRQHSA-N 214.309 0.912 30 20 BCED CCN(CC[C@H]1CCNC1=O)C[C@@H](C)C#N 395840065 HGYRBOQCNBNTHO-WDEREUQCSA-N 223.320 0.994 30 20 BCED COCCS(=O)(=O)N1CCC(CC#N)CC1 397181222 JJBQXRBHMPWTTM-UHFFFAOYSA-N 246.332 0.588 30 20 BCED COCC[C@](C)(O)CN=c1cc(C)[nH]cc1C#N 399094860 XXCICBKRKJQPCW-ZDUSSCGKSA-N 249.314 0.883 30 20 BCED CCN1CCN(CC#N)C[C@H]1c1ncc[nH]1 408279535 AMVQZLOCAMZUHF-JTQLQIEISA-N 219.292 0.612 30 20 BCED CN(C(=O)Cn1cnc(C#N)n1)C1CCC1 408368955 PRPQWMVKSXNHOL-UHFFFAOYSA-N 219.248 0.161 30 20 BCED CN(C)[C@H]1CCCN(CC(=O)NCC#N)CC1 408383769 XVOYRIYZOPCKSA-NSHDSACASA-N 238.335 0.042 30 20 BCED COC(=O)COC[C@@H](C)NCC1(C#N)CCC1 418138502 GGEGIHUJYAIGBY-SNVBAGLBSA-N 240.303 0.848 30 20 BCED COCCN1CC[C@H](Nc2cncc(C#N)n2)C1 420605840 WBGITMBIYSCWDL-JTQLQIEISA-N 247.302 0.481 30 20 BCED C[C@@H]1C[C@H](C(=O)N[C@@]2(C#N)CC2(C)C)CC(=O)N1 427889626 HLLIKSQZDXOINX-VYUIOLGVSA-N 249.314 0.710 30 20 BCED COC(=O)C1(NC(=O)[C@H](C)C#N)CCC1 438243064 GWWOMFYQQSFCHE-SSDOTTSWSA-N 210.233 0.358 30 20 BCED C=C[C@@H]1OCCC[C@H]1NCCCNC(C)=O 451676880 UCWJEAYRQLADIK-NEPJUHHUSA-N 226.320 0.836 30 20 BCED C=CCC[C@H](CO)NS(=O)(=O)CCC=C 452018206 CECJEQZAHXMNOV-SNVBAGLBSA-N 233.333 0.809 30 20 BCED C#CCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 490657097 QKWYOTVRKZUYAQ-UHFFFAOYSA-N 243.222 0.393 30 20 BCED C#C[C@H](CC)NC(=O)c1nn(C)cc1C 491409293 ZESUEHYXXGQCQR-SECBINFHSA-N 205.261 0.870 30 20 BCED C#C[C@H](CC)NC(=O)NOCCOC 491701724 HLHUGJHCJWUBMK-MRVPVSSYSA-N 200.238 0.275 30 20 BCED C#C[C@H](C)N(C)CC(=O)Nc1c(C)n[nH]c1C 491703419 WZFHRMCCBBKSBW-QMMMGPOBSA-N 234.303 0.919 30 20 BCED C#C[C@@H](CC)NC(=O)CN(CC)C1CC1 491748046 OBSCPDGTAKVHCL-JTQLQIEISA-N 208.305 0.999 30 20 BCED C#C[C@@H](CC)NS(=O)(=O)C[C@H](C)C(=O)OC 491781530 KQTLKCDLWUSDLY-IUCAKERBSA-N 247.316 0.127 30 20 BCED COC(=O)N[C@@H](C)C(=O)OC[C@H](C)C#N 494072529 OPRBGNWDWQRJKL-RQJHMYQMSA-N 214.221 0.434 30 20 BCED C=C[C@@H]1OCC[C@H]1NC[C@H]1CN(C)C(=O)O1 496690553 JYFCXKKRGWEGSS-AEJSXWLSSA-N 226.276 0.370 30 20 BCED CO[C@@H]1COC[C@H]1NC(=O)NCCCCC#N 516863810 DHTNJCRWDKYELE-NXEZZACHSA-N 241.291 0.393 30 20 BCED N#CC1(NC(=O)Cn2ccccc2=O)CC1 523160131 NLQBEBPXSSSDIV-UHFFFAOYSA-N 217.228 0.021 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)c1nncs1 527531310 DFSHYXFLYGBGOY-RQJHMYQMSA-N 225.273 0.611 30 20 BCED C[C@@H](C#N)CNC(=O)NC1(CO)CCC1 543689439 XXWIXFUQNWXTDC-QMMMGPOBSA-N 211.265 0.360 30 20 BCED C[C@@H](C#N)CNC(=O)c1cnn2ncccc12 545913198 KNTFTOJYXZSHEZ-QMMMGPOBSA-N 229.243 0.619 30 20 BCED COCc1nc(C(=O)NC[C@@H](C)C#N)no1 547505625 OUYNQVAGJXOSKA-LURJTMIESA-N 224.220 0.105 30 20 BCED N#CC1(CNC(=O)c2cncc(O)c2)CC1 557061241 GEELLMHLCIOHJA-UHFFFAOYSA-N 217.228 0.821 30 20 BCED Cc1cc(C(=O)NCC#CCO)ccc1O 563400424 KAAFCEQQMPUILJ-UHFFFAOYSA-N 219.240 0.426 30 20 BCED Cc1cc(C(=O)N2CC(C)(C#N)C2)ncn1 564816867 QRRQYPNOYSQOBC-UHFFFAOYSA-N 216.244 0.771 30 20 BCED CC(C)CC[C@@H](O)Cn1cnc(C#N)cc1=O 564983215 NKKXUWNHPWOKMT-LLVKDONJSA-N 235.287 0.912 30 20 BCED CCCN1C[C@@H](C(=O)NC[C@@H](C)C#N)CC1=O 566901262 AAFRKGFDDDMMJG-UWVGGRQHSA-N 237.303 0.521 30 20 BCED CCN(C[C@@H](C)C#N)C(=O)CN1CC(C)(C#N)C1 568167731 MNQQVSVOUIZFCI-NSHDSACASA-N 248.330 0.840 30 20 BCED CCO[C@@H]1C[C@H](Nc2cc(C#N)ncn2)[C@H]1OC 571004991 JRSABEVQTGDCNO-HOSYDEDBSA-N 248.286 0.953 30 20 BCED CCc1nocc1Cn1c(N)nc(C#N)c1C#N 572424428 GQTPJZMMKZKUFA-UHFFFAOYSA-N 242.242 0.807 30 20 BCED C=CCC[C@@H](O)CN[C@@H]1COC[C@H]1OC 573484710 HHRWHSHCXBAFBN-GMTAPVOTSA-N 215.293 0.317 30 20 BCED CC(C)(O)CNCc1cnc2c(C#N)cnn2c1 573803074 GGRODIFTOFEMRT-UHFFFAOYSA-N 245.286 0.461 30 20 BCED CN(C[C@@H]1CCC[C@@H]1O)c1ccnc(C#N)n1 576292691 VTHZWOVPWFXLLE-UWVGGRQHSA-N 232.287 0.945 30 20 BCED CN1CCN(CCNCCC#N)CC1(C)C 579345132 QSLPJKNUILMNBY-UHFFFAOYSA-N 224.352 0.516 30 20 BCED COC(=O)CNC(=O)CCCCCC#N 588147191 BHQQJOMACAGJSY-UHFFFAOYSA-N 212.249 0.750 30 20 BCED CC[C@H](C(=O)OC)C(=O)N1CC(C#N)C1 590489672 QJVZCFNIMKSTTK-QMMMGPOBSA-N 210.233 0.168 30 20 BCED N#CC1CN(C(=O)Cc2ncccc2F)C1 590490849 NFIXICIHZXDTEP-UHFFFAOYSA-N 219.219 0.745 30 20 BCED N#Cc1cncc(N2CC[C@@](F)(CO)C2)n1 591940877 SWCFHIBBHRPALP-JTQLQIEISA-N 222.223 0.259 30 20 BCED CC[C@@H](C#N)C(=O)N(C)c1cnn(C)c1 593481378 GFRUDHSZKRGALC-QMMMGPOBSA-N 206.249 0.933 30 20 BCED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCO 594214652 NPQHIYGWYOCHOR-SNVBAGLBSA-N 232.283 0.845 30 20 BCED CCN([C@@H](C)C#N)S(=O)(=O)CCCF 595358798 XKBJWNNENOPYEO-QMMMGPOBSA-N 222.285 0.910 30 20 BCED C[C@@H](CO[C@@H]1CCOC1)Nc1cc(C#N)cnn1 596156996 WACKIPSPPOMSQQ-GXSJLCMTSA-N 248.286 0.954 30 20 BCED CCN(CCC#N)C(=O)C[C@@H]1CCC(=O)N1C 596891816 YSHNMAPSYQQLQW-JTQLQIEISA-N 237.303 0.759 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@@](C)(C(=O)OC)C1 597775778 JVQOTNAZSSXBDG-JOYOIKCWSA-N 241.287 0.335 30 20 BCED CCN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H](C)C#N 598349348 GEMSWRXSMDPZGM-NXEZZACHSA-N 237.303 0.615 30 20 BCED COC(=O)CCCCN1CCOC[C@@H]1C#N 599332990 YWLCZAANTBRGKT-JTQLQIEISA-N 226.276 0.554 30 20 BCED C[C@@H](C#N)CNC(=O)c1cc2ncccn2n1 601140812 BHWYTLIKPIAIHJ-QMMMGPOBSA-N 229.243 0.619 30 20 BCED C=C(C)C[C@@H](NC(=O)NC)C(=O)OC 601501398 NKFAKSXVLRWRAG-SSDOTTSWSA-N 200.238 0.423 30 20 BCED CO[C@@H](C(=O)Nc1n[nH]cc1C#N)C(C)C 601638034 DNHCIRDYVDVTOV-MRVPVSSYSA-N 222.248 0.891 30 20 BCED N#CCCN1N=C2CCSC[C@@H]2C1=O 601931560 LXZSAFSGQMCGFH-ZETCQYMHSA-N 209.274 0.851 30 20 BCED C[C@H](C(=O)N(C)[C@@H](C)C#N)c1cnn(C)c1 602422180 CODMQJLLWVAWQQ-IUCAKERBSA-N 220.276 0.894 30 20 BCED C[C@]1(C#N)CCN(C(=O)[C@@]2(N)CC2(F)F)C1 602531300 BWWXQGWANYTPGJ-BDAKNGLRSA-N 229.230 0.485 30 20 BCED CCOCCCNC(=O)[C@H](C)N[C@H](C)CC#N 602862738 LWBSHCBWTFGWLB-MNOVXSKESA-N 241.335 0.809 30 20 BCED C=C[C@H](C(=O)OC)n1cc(CCN(C)C)nn1 603238383 WQDJBDLSNGAUIJ-SNVBAGLBSA-N 238.291 0.282 30 20 BCED C=C[C@](C)(O)C(=O)NCC[C@H](O)CC 612481085 ZYKQFCGPKMOKLQ-SCZZXKLOSA-N 201.266 0.201 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@H]1[C@H]1CCCC1=O 613123104 PSUGLWXJGXTYGV-VWYCJHECSA-N 237.299 0.894 30 20 BCED C=C(C)CN(C)C(=O)[C@H](CCC)S(N)(=O)=O 613305299 QSOUVAQKPJCFJA-VIFPVBQESA-N 248.348 0.478 30 20 BCED C=C(C)CNC(=O)[C@H]1CCCc2nn[nH]c21 613664339 GOPWBPSBBAIZHN-QMMMGPOBSA-N 220.276 0.917 30 20 BCED C=C[C@@H](O)C(=O)Nc1cc(C2CC2)n(C)n1 614985464 UWVGSAYMYDTUNK-SECBINFHSA-N 221.260 0.783 30 20 BCED C=C[C@H](O)C(=O)NC[C@H](Cc1ccccc1)OC 615659239 FBWVJJGZCGJFQG-STQMWFEESA-N 249.310 0.907 30 20 BCED C=C[C@H](O)C(=O)N(CC(F)F)C[C@@H](C)O 615992095 GXYWURFCDICGKN-RQJHMYQMSA-N 223.219 0.008 30 20 BCED C[C@](O)(CNC(=O)NCC1(C#N)CC1)C1CC1 619533829 KSDCVUDRHCEHJF-NSHDSACASA-N 237.303 0.750 30 20 BCED C=CC[C@H](C)NC(=O)[C@]1(N)CC1(F)F 634270384 NPTQVMGUBKTQEP-POYBYMJQSA-N 204.220 0.804 30 20 BCED CC#CCNC(=O)Nc1ccn(C)c(=O)c1 640212151 MGSMUWVXPQZJON-UHFFFAOYSA-N 219.244 0.530 30 20 BCED CC#CC[C@H](CO)NC(=O)C(C)(C)COC 649184567 NNGYTOWQTJVDFX-SNVBAGLBSA-N 227.304 0.550 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1ccccn1 649194696 KHOXGBQAHRHHQO-JTQLQIEISA-N 218.256 0.586 30 20 BCED C=CCCn1cc(CNC[C@@H](O)C(C)C)nn1 657364863 BAWPDCAVIUKCAG-GFCCVEGCSA-N 238.335 0.961 30 20 BCED C=CCn1cc(CNC(=O)[C@H]2CCC[C@H]2N)nn1 662523056 WZPCNJIWUCYTIA-WDEREUQCSA-N 249.318 0.208 30 20 BCED C=C(C)CN(C)c1cc(=O)n(C)c(=O)n1C 663779044 WDMRQRFOKLCMMM-UHFFFAOYSA-N 223.276 0.096 30 20 BCED C=CCCNC(=O)N[C@H](C)C(=O)NC(C)C 665941464 YKOQJHJTJJWTDW-SECBINFHSA-N 227.308 0.775 30 20 BCED C=C[C@@H](O)C(=O)N1CCCC[C@@H]1c1ncon1 668958064 ATPXIABGDRFXIT-RKDXNWHRSA-N 237.259 0.670 30 20 BCED C=C[C@@H](O)C(=O)N(Cc1ccccc1)C[C@@H](C)O 669109204 BDNOYXLIMMNJAL-DGCLKSJQSA-N 249.310 0.943 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 669184041 WEILBSMXASFECH-FOGDFJRCSA-N 226.320 0.522 30 20 BCED C=CCN(C)C(=O)C(=O)NC[C@@H]1CCCOC1 671342113 PQWFTCSNBHCXIG-JTQLQIEISA-N 240.303 0.174 30 20 BCED C[C@H](C#N)OCCN(CCO)CC1CC1 685980293 JECWSHGWYRQGBI-SNVBAGLBSA-N 212.293 0.619 30 20 BCED C=C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 693398155 OQZCGHXWHCFSOL-PRJMDXOYSA-N 212.249 0.723 30 20 BCED C#CCN(C(C)C)S(=O)(=O)N(CC)CC 708450984 BPJVXYZHIWIAKU-UHFFFAOYSA-N 232.349 0.917 30 20 BCED N#Cc1ccc(N2CCO[C@@]3(CCNC3)C2)nc1 717481258 ZDCMDJQNYGXFNJ-CYBMUJFWSA-N 244.298 0.522 30 20 BCED C#CCNC(=O)CN(C)CC(=O)OC(C)(C)C 725801675 TWOWPYFVFJJHPK-UHFFFAOYSA-N 240.303 0.009 30 20 BCED C#CCN1CCC[C@H]1C(=O)N(C)CCCOC 730098691 NFNXEVCWLOGLHG-LBPRGKRZSA-N 238.331 0.579 30 20 BCED C#Cc1ccc(C(=O)NC[C@H](C)C#N)nc1 732111426 LSHHQDXUYATJQX-SECBINFHSA-N 213.240 0.952 30 20 BCED Cc1ncc(CO)c(/C=N\[C@H](C)C(=O)O)c1O 740232675 RVHFMHBXBLTEGU-FDTOAVHKSA-N 238.243 0.480 30 20 BCED Cc1ncc(CO)c(C=NNCC(F)F)c1O 740617644 LNNVVSHWSZRKIS-UHFFFAOYSA-N 245.229 0.777 30 20 BCED CCN1CCO[C@@H](C(=O)OCCCC#N)C1 748462761 XVQJDCTXZJBVTP-SNVBAGLBSA-N 226.276 0.554 30 20 BCED C#CCCCNC(=O)Nc1nn(C)cc1C#N 750612326 CWFDBMUXAKZJOC-UHFFFAOYSA-N 231.259 0.827 30 20 BCED C#CCOCCNC(=O)N[C@@](C)(CO)CCC 753379528 RZLQVWUGHADRLW-GFCCVEGCSA-N 242.319 0.487 30 20 BCED C#CCCN[C@@H](C(=O)OCC)C1CCOCC1 755193569 RHSOUNOAHXLGEZ-GFCCVEGCSA-N 239.315 0.958 30 20 BCED 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C=C[C@H](O)C(=O)OCc1cn(C)nc1C(F)F 1343866657 VBUMHYOVWQORJI-ZETCQYMHSA-N 246.213 0.948 30 20 BCED C[C@@H](C#N)CN(C)C(=O)CCc1nccn1C 1347383240 FOEVVDHPPBFOKA-JTQLQIEISA-N 234.303 0.971 30 20 BCED C#CCOCCN(C)C(=O)[C@H](C(C)C)N(C)C 1348891141 LDDGDTWPELIXRF-LBPRGKRZSA-N 240.347 0.681 30 20 BCED Cc1cc(CN2CC(O)(CC#N)C2)on1 1349619527 BXSZMJMVCQYGQO-UHFFFAOYSA-N 207.233 0.443 30 20 BCED O=C(NO)C1CCN([C@H]2CCSC2)CC1 1350666981 IIXJZQSOKSMRFH-VIFPVBQESA-N 230.333 0.709 30 20 BCED C#CC1(O)CN(C(=O)c2csc(C#N)c2)C1 1351857471 BTAPVRJUHZPOTE-UHFFFAOYSA-N 232.264 0.440 30 20 BCED C=C(C)CCC(=O)N[C@H](C)C(=O)N(C)OC 1358476286 VOBAAFLANIHKRL-SECBINFHSA-N 228.292 0.867 30 20 BCED C#CCN(CC#CC)c1nnc(CO)n1CC 1520820486 KUDNPIBBFIJQGJ-UHFFFAOYSA-N 232.287 0.253 30 20 BCED CCCC(=O)NCC1(NC(=O)[C@H](C)C#N)CC1 1535087048 WSXHCZULBYSNGP-SECBINFHSA-N 237.303 0.711 30 20 BCED N#CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1F 1570236790 GMEYCAPEDBDFGQ-UHFFFAOYSA-N 246.205 0.858 30 20 BCED C=C(C)Cn1ccc(-c2nn[nH]n2)cc1=O 1573294325 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C[C@](NC(=O)c1ccc(C#N)[nH]1)(C(=O)O)C1CC1 1604309263 UUARNTJTXXPLSV-GFCCVEGCSA-N 247.254 0.869 30 20 BCED Cn1c(C#N)ccc1C(=O)NCC(C)(C)C(=O)O 1608080727 NVIYCYQPEATLHF-UHFFFAOYSA-N 249.270 0.737 30 20 BCED N#CC[C@@H](O)CN1CCC[C@@H]2C[C@@]21C(=O)O 1608188421 NYPYFWFRWZWZFR-KKZNHRDASA-N 224.260 0.200 30 20 BCED N#CCc1cccc(N2CCO[C@H](C(=O)O)C2)n1 1611295831 LNVSPYAEMQWXTI-JTQLQIEISA-N 247.254 0.437 30 20 BCED Cc1[nH]c(C#N)cc1C(=O)NCC1(CO)CC1 1622326929 SLNAKPZLWIPVJF-UHFFFAOYSA-N 233.271 0.697 30 20 BCED C=C(Cl)CNCC[C@@H](C)NC(=O)CC(N)=O 1753952231 QOENJODQXFPDBA-MRVPVSSYSA-N 247.726 0.099 30 20 BCED CC#CCNC/C=C/CNC(=O)C#CC(C)C 1754131497 JSSXZJQRXFMDRN-VOTSOKGWSA-N 232.327 0.931 30 20 BCED C=CCCC(=O)N(C)C[C@@H](O)CN(C)CC#N 1755799356 LZSRNJSHRRYXCR-NSHDSACASA-N 239.319 0.227 30 20 BCED CC(C)N(C)C[C@H](O)CN1CC(C#N)C1 594713839 IESJWDVPYSCUBT-NSHDSACASA-N 211.309 0.143 30 20 BCED N=C(N)NN=Cc1ccc([N+](=O)[O-])cc1 8622342 YQHGSFFPDDIVIK-UHFFFAOYSA-N 207.193 0.412 30 20 BCED C#CCCN(CC(=O)OC)C1CCOCC1 764240511 JCEGTTNVWHOPTG-UHFFFAOYSA-N 225.288 0.664 30 20 BCED C[C@@H]1CN(C[C@H](O)CC#N)CCS1 307492831 ZKDSEWUHHKECHJ-RKDXNWHRSA-N 200.307 0.698 30 20 BCED CSC[C@H](C)C(=O)N1CC(O)(CC#N)C1 408300692 ZRDOUDFUCNFMHU-QMMMGPOBSA-N 228.317 0.472 30 20 BCED Cc1nnc(N2CCO[C@H](C#N)C2)c(C#N)c1C 113197155 JALQYOCVSIAUIJ-SNVBAGLBSA-N 243.270 0.694 30 20 BCED CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 21458026 ACWLLEXBVUNOGB-JTQLQIEISA-N 210.233 0.358 30 20 BCED CC(C)(C#N)CCCN1CCCNS1(=O)=O 308399862 GLAIKUGXQRJWPB-UHFFFAOYSA-N 245.348 0.856 30 20 BCED C=CCC[C@H](O)CN(C)CCN1CCOCC1 305048486 BORXXAGFVRYHCG-ZDUSSCGKSA-N 242.363 0.578 30 20 BCED COc1ccc(C(=O)NC[C@H](C)C#N)nn1 172350975 ULSHCINGENOWQX-SSDOTTSWSA-N 220.232 0.375 30 20 BCED C#C[C@H](NS(=O)(=O)c1cnn(C)c1)C(C)C 281520375 MDCPSPJWVWACEK-JTQLQIEISA-N 241.316 0.356 30 20 BCED COCCC[C@H](C)C(=O)N1CCOC[C@H]1C#N 183049910 ATTXFTJLFBYSCC-WDEREUQCSA-N 240.303 0.800 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H](CN)CCCC 418448295 QOPWUWTYCMMDNG-NXEZZACHSA-N 229.324 0.350 30 20 BCED CCn1ncnc1CNc1ccc(C#N)cn1 360114583 HRUXYCWHIOAHHS-UHFFFAOYSA-N 228.259 1.177 30 20 BCED COCCN(CCCC#N)[C@H](C)C(N)=O 78534250 JWHXWEQPUYZBIA-SECBINFHSA-N 213.281 0.112 30 20 BCED CCNC(=NCC(C)(C)C(=O)NC)NCC 157361061 KYAGWDUWLVEZQR-UHFFFAOYSA-N 228.340 0.334 30 20 BCED CC#CCNC(=O)c1ccc(C)[nH]c1=O 121622979 KFXQXNCGAVUPAR-UHFFFAOYSA-N 204.229 0.436 30 20 BCED C=CCNC(=O)CNC(=O)[C@@H](CC(C)C)OC 416187091 DSQGZVJIZXBETJ-SNVBAGLBSA-N 242.319 0.466 30 20 BCED N#CC1(C(=O)NCCn2ccnn2)CCCC1 136339168 LRLTXQHWPJVKSR-UHFFFAOYSA-N 233.275 0.478 30 20 BCED O=C(NCC#CCO)[C@@H]1Cc2ccccc2O1 283035361 YVCUFYFXNUNSRT-LBPRGKRZSA-N 231.251 0.102 30 20 BCED COC(=O)CCCC(=O)NC(C)(C)C#N 130961292 OKMSFQNPKFVGDK-UHFFFAOYSA-N 212.249 0.748 30 20 BCED CNC(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 73507565 BFZBYNRLZMZQMJ-NSHDSACASA-N 248.330 0.888 30 20 BCED N#Cc1cc2c(nc1N1CCNCC1)CCC2 43404763 YDRYGRPXRFWBLB-UHFFFAOYSA-N 228.299 0.852 30 20 BCED C[C@@H](C#N)CN(C)c1ccnc(C(N)=O)c1 42461178 SPWCQIGNWBWAKS-QMMMGPOBSA-N 218.260 0.776 30 20 BCED C=CCN1C(=O)C(=O)N(Cc2ncc(C)o2)C1=O 133095970 BDGFZAPZERPMAW-UHFFFAOYSA-N 249.226 0.460 30 20 BCED CC#CC(=O)NCc1cncc(C(=O)OC)c1 1179756257 FTRDQLCCPQBGDC-UHFFFAOYSA-N 232.239 0.508 30 20 BCED CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 42136499 XVGFMEYRSIXESG-GFCCVEGCSA-N 229.239 0.955 30 20 BCED C[C@H](C#N)CN(C)C(=O)NC1CCOCC1 341460347 RRFQBKVCVGLZAK-SECBINFHSA-N 225.292 0.966 30 20 BCED CN1CN(/C(O)=N/CC2(C)CCC2)CC1=O 329636416 VDBLWVPYCKOIHY-UHFFFAOYSA-N 225.292 0.822 30 20 BCED C=CCN(CCOC)C(=O)CNC(=O)OC 191964807 MDZLEQJTWDWERB-UHFFFAOYSA-N 230.264 0.003 30 20 BCED C=CCNC(=O)CN(CC(=O)OCC)C1CC1 49573504 IRQPXZSYFUVPNY-UHFFFAOYSA-N 240.303 0.316 30 20 BCED C[C@H](C#N)S(=O)(=O)N1CCC[C@@H]1CN(C)C 88485548 DIYZZXMJRNIOCY-NXEZZACHSA-N 245.348 0.254 30 20 BCED Cn1cc(/C(O)=N/[C@H]2CCCOC2)nn1 329333538 NMADPKSKQAESTI-ZETCQYMHSA-N 210.237 0.299 30 20 BCED Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C(N)=O 194584325 FGRHRUSDSUGRSM-MRVPVSSYSA-N 246.270 0.862 30 20 BCED CC#CCNC(=O)N1CCN(CC)C(=O)[C@@H]1C 335873870 BHPJYGBLPSTZBD-JTQLQIEISA-N 237.303 0.272 30 20 BCED C[C@H](CC(N)=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 424964442 GEPTWVIYKQRFEN-HRDYMLBCSA-N 223.276 0.306 30 20 BCED CC[C@H]1C[C@H](C(=O)N[C@@H](C#N)CC)CC(=O)N1 330859374 UDYIWVMIAQFPSE-LPEHRKFASA-N 237.303 0.710 30 20 BCED CO[C@]1(CNC(=O)NCCC#N)CCOC1 426431305 DCBUECMAKAJRRX-JTQLQIEISA-N 227.264 0.005 30 20 BCED CCn1nncc1/C(O)=N/C[C@H](C)CCO 330512279 GBCNJFANRJANPY-MRVPVSSYSA-N 226.280 0.621 30 20 BCED COCCCC/N=C(/O)N[C@@H]1CC(=O)N(C)C1 331152245 UQLRLOTWJYSNBS-SECBINFHSA-N 243.307 0.147 30 20 BCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)CCCC#N 330878340 AHALNCCLWVTDHB-NXEZZACHSA-N 237.303 0.711 30 20 BCED C[C@H]1CN(C(=O)CSCC#N)[C@@H](C)CN1C 335134361 VZVPVPSMVRZQAW-UWVGGRQHSA-N 241.360 0.794 30 20 BCED OC[C@H]1C=C[C@@H](/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)C1 330003296 ZOOWGFCBGBOKCL-OGBGREFGSA-N 238.287 0.072 30 20 BCED C[C@@H](c1nnnn1C)N(C)C[C@@H](C)C#N 330955592 MRPFOUWVFRSXPF-YUMQZZPRSA-N 208.269 0.363 30 20 BCED C=CC[C@H](CC)N/C(O)=N/Cc1nnn(C)n1 330842725 BBESLJVTYZFBOB-QMMMGPOBSA-N 238.295 0.568 30 20 BCED C#CCN(C)CCCNC(=O)c1cnns1 293993951 OFSIOKVDCRUXQP-UHFFFAOYSA-N 238.316 0.223 30 20 BCED C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)[C@H]1C 331823129 WTGXUBLNFXAMIY-YUMQZZPRSA-N 219.248 0.017 30 20 BCED N#Cc1cccc(CN[C@H]2CCOC2)n1 602571784 OBXJTTNIOMYJPF-NSHDSACASA-N 203.245 0.832 30 20 BCED C[C@]1(O)CCCN(C(=O)c2cnccc2C#N)C1 343038691 TWEYCTGECHPURY-ZDUSSCGKSA-N 245.282 0.940 30 20 BCED N#C[C@H]1CC[C@H](NCCN2CCCOCC2)C1 349362270 CPFNYNOTPPLZIN-STQMWFEESA-N 237.347 0.991 30 20 BCED C=CCOCCCN1C[C@@H](F)C[C@H]1CO 346358916 LCWDCJJXJAYXJV-QWRGUYRKSA-N 217.284 0.984 30 20 BCED COc1cccnc1NCCn1cnc(C#N)n1 528017539 DENBKDRGKLKPLB-UHFFFAOYSA-N 244.258 0.665 30 20 BCED N#Cc1cn(CCCc2cnoc2)nn1 603332847 AILWGGDKHWFZMN-UHFFFAOYSA-N 203.205 0.771 30 20 BCED CC[C@H](NC(C)=O)C(=O)N(CC)[C@@H](C)C#N 601669774 ILSKJHGQASBXGO-WPRPVWTQSA-N 225.292 0.662 30 20 BCED N#Cc1cc(C(=O)N[C@]2(C#N)CCOC2)ccn1 356834000 SPHMOBREKUGPBL-LBPRGKRZSA-N 242.238 0.366 30 20 BCED C=CC[C@H](C)[C@@H](C)NCC(=O)NCC(=O)OC 602752122 XMXYRPDKLNMRNZ-VHSXEESVSA-N 242.319 0.466 30 20 BCED C[C@H](C#N)CNC(=O)c1cnn(CCN(C)C)c1 601142304 XQWYEYOBJLSIND-SNVBAGLBSA-N 249.318 0.334 30 20 BCED CC(C)c1cc(C(=O)N[C@]2(C#N)CCOC2)n[nH]1 358464406 SSOYECPVEBPIEN-LBPRGKRZSA-N 248.286 0.946 30 20 BCED C=C[C@H](C(=O)OC)n1cc(CCC#N)nn1 603237441 SHVBUPOPJAXSHQ-SECBINFHSA-N 220.232 0.634 30 20 BCED CCN(CC)/C(N)=N/CC(=O)Nc1cccnc1 261968060 BZVCEOIVEMNFDQ-UHFFFAOYSA-N 249.318 0.677 30 20 BCED CC[C@@H](C#N)NC(=O)Cc1cc(C)[nH]n1 260262061 XUOBVCHHVUXKOD-QMMMGPOBSA-N 206.249 0.679 30 20 BCED C=CC[C@H](C)NC(=O)N[C@H](CO)[C@H]1CCCO1 447965560 TVPRXMWCSQNLHT-HBNTYKKESA-N 242.319 0.790 30 20 BCED CCO[C@H](C)C(=O)N[C@]1(C#N)CCOC1 358439419 IBBJMWOWHYEFFZ-SCZZXKLOSA-N 212.249 0.210 30 20 BCED N#CCNC(=O)[C@@H]1CCC(=O)c2cccn21 447441339 POAUQKVQHSMIML-VIFPVBQESA-N 217.228 0.645 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](CO)CC(F)(F)F 613216583 PUHXPFPGIHGTAO-SVRRBLITSA-N 241.209 0.353 30 20 BCED C[C@@H](C#N)NC(=O)c1occ2c1CCOC2 351641934 QKXGBLNADHYBCK-ZETCQYMHSA-N 220.228 0.994 30 20 BCED C=C(Cl)CNC(=O)[C@H]1C[C@H](F)CN1 262158029 SDGGBRXYEZXQJW-NKWVEPMBSA-N 206.648 0.555 30 20 BCED C=CCOCC(=O)NC[C@H]1CCC[C@@H](O)C1 357106064 PMFMXOMBROXRJQ-WDEREUQCSA-N 227.304 0.856 30 20 BCED C=CCN/C(=N/C)N1CC[C@@]2(CCOC2)C1 262003527 UZZWALGMZWAQDE-GFCCVEGCSA-N 223.320 0.860 30 20 BCED C=CCC1(C(=O)N[C@@H](COC)C(=O)O)CCC1 263524554 JCKQBYLLHAWNSI-VIFPVBQESA-N 241.287 0.949 30 20 BCED C=C(C)CN/C(N)=N/CCC1(O)CCC1 261751270 JUXLWOJHGQYIKB-UHFFFAOYSA-N 211.309 0.772 30 20 BCED C=CCOCCCC(=O)N[C@H](C(=O)O)C1CC1 262213909 YNFACQUQYHCODH-NSHDSACASA-N 241.287 0.949 30 20 BCED C=C[C@@H](CO)NC(=O)N[C@H](C)C(C)(F)F 455793326 QEFMNOGZQMHFMB-RQJHMYQMSA-N 222.235 0.876 30 20 BCED CCC[C@H](C#N)NC(=O)c1cc(C)nc(O)n1 532156008 SWNUIUYULHTXBH-MRVPVSSYSA-N 234.259 0.913 30 20 BCED C=C[C@@](C)(O)C(=O)NCCOC(F)(F)F 613884291 TUHMSHMVZKPXOS-SSDOTTSWSA-N 227.182 0.576 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](C)c1ncc[nH]1 615158295 MAFMTFCZPZIFMR-XCBNKYQSSA-N 209.249 0.524 30 20 BCED C=CCCOCCNC(=O)Cn1ccc(C)n1 450250179 HNEAENWRGOIYHW-UHFFFAOYSA-N 237.303 0.900 30 20 BCED C=CCN(C)C(=O)Nc1nn(C)cc1C#N 614688537 AHGDCCMMVXALGC-UHFFFAOYSA-N 219.248 0.941 30 20 BCED C=C[C@@H](O)C(=O)NCC1(C)CCOCC1 612097606 QPKDLUWPRKJXLV-SECBINFHSA-N 213.277 0.466 30 20 BCED C[C@H](Nc1cc(C#N)ncn1)C(=O)NCCF 548822067 AHNRPTJQCTXZPR-ZETCQYMHSA-N 237.238 0.234 30 20 BCED C=C[C@H](C)NC(=O)N[C@H](C)C(=O)N(C)C 361415184 NKTGTMMVPNUOEI-JGVFFNPUSA-N 213.281 0.337 30 20 BCED C=C[C@@H](O)C(=O)N1CCOc2cc(O)ccc2C1 614735510 XMVNKCYDQZRUNT-LLVKDONJSA-N 249.266 0.660 30 20 BCED C=CCCS(=O)(=O)N[C@@H]1CCO[C@H]1C=C 451857326 GXTWLSZQRDFNDA-ZJUUUORDSA-N 231.317 0.825 30 20 BCED CCN(CC#N)C(=O)[C@H](C)NC(=O)OC 270466181 LATVOBTYYGSHFY-ZETCQYMHSA-N 213.237 0.103 30 20 BCED N#Cc1cccc(OS(=O)(=O)C2COC2)c1 276228963 AJAZXZFMZJJRDA-UHFFFAOYSA-N 239.252 0.666 30 20 BCED C=CC(C)(C)CNC(=O)N(C)CCOCCN 627050955 ZKHWRUSONHZRBH-UHFFFAOYSA-N 243.351 0.815 30 20 BCED C#CCCCC(=O)Nc1ccn(CC(N)=O)n1 277293343 ZQIMVMHYDHBKHY-UHFFFAOYSA-N 234.259 0.110 30 20 BCED C#C[C@H](C)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 276164048 GDHVJXZFMKZLSG-ZMLRMANQSA-N 247.298 0.636 30 20 BCED Cn1cc([C@@H](CO)NCCC(C)(C)C#N)cn1 275182563 NLNRZLFFAAMAGO-LLVKDONJSA-N 236.319 0.983 30 20 BCED C=C[C@H](CO)NC(=O)[C@@H](C)OCC1CC1 620590361 PAZRZPMPXYNPQQ-PSASIEDQSA-N 213.277 0.465 30 20 BCED N#CC1CCN(c2ccncc2C(N)=O)CC1 545158595 XFFANTCOBBISLN-UHFFFAOYSA-N 230.271 0.920 30 20 BCED C#C[C@@H](C(C)C)N1C(=O)[C@@H](C)NC1=S 280970855 JFWCKZCRXCEMOF-SFYZADRCSA-N 210.302 0.749 30 20 BCED CN1CCC(NC(=O)NCC2(C#N)CC2)CC1 558895159 UFJRNAKWOIXYLC-UHFFFAOYSA-N 236.319 0.684 30 20 BCED C#CCO[C@@H](C)C(=O)NCCN(CC)CC 294222564 KVBQFUQXIXEPIT-NSHDSACASA-N 226.320 0.483 30 20 BCED C#C[C@@H](NC(=O)c1cncn1C)[C@@H]1CCCO1 809777910 IJAHXWTXHGQNRN-KOLCDFICSA-N 233.271 0.331 30 20 BCED C#CCCCN(C)[C@H](C)CS(C)(=O)=O 708468472 FIOPMLBIGGKNKY-SNVBAGLBSA-N 217.334 0.765 30 20 BCED C#CCO[C@@H](C)C(=O)N(CCC)CC(=O)NC 294654011 VWKATQSTHSVHKP-JTQLQIEISA-N 240.303 0.009 30 20 BCED C=C[C@@](C)(O)CC(=O)N1CC(C)(C#N)C1 290911437 PHBXDDLMMJJLTJ-LLVKDONJSA-N 208.261 0.686 30 20 BCED CC(=O)N(C)CC(=O)N[C@]1(C#N)CC1(C)C 291415384 JRLACYVCTPXNCI-NSHDSACASA-N 223.276 0.273 30 20 BCED C#CCNC(=O)CCN(CC)C[C@H](C)OC 293531505 JKMHNJKBCSSTDW-NSHDSACASA-N 226.320 0.483 30 20 BCED C=C[C@H](CO)NC(=O)NC[C@@H]1CCCCO1 291169000 GMARRVXNCDRRQD-ZJUUUORDSA-N 228.292 0.402 30 20 BCED COC(=O)N[C@@H](C)C(=O)N[C@]1(C#N)CC1(C)C 291954510 FENSGFOIPLNJFS-CPCISQLKSA-N 239.275 0.539 30 20 BCED C=C(Cl)CN1CC[C@](O)(C(=O)O)C1 706469531 UJFODEVHXOKLET-MRVPVSSYSA-N 205.641 0.260 30 20 BCED OCC#CCNC[C@H](O)Cc1ccccc1 563811307 XPAYKNRJBXCQBH-CYBMUJFWSA-N 219.284 0.175 30 20 BCED CC#CCOC(=O)C[C@@H]1CCCC(=O)N1 808683786 JFPPPOWQIWIJQF-VIFPVBQESA-N 209.245 0.612 30 20 BCED CC#CC(=O)N1CCC[C@H](N2CCNC2=O)C1 801142001 SICBOMGIMLBTET-JTQLQIEISA-N 235.287 0.026 30 20 BCED C=C[C@@H](CO)NC(=O)NCCCSC 290874792 AQTSEIZGXAEURN-QMMMGPOBSA-N 218.322 0.586 30 20 BCED C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cnccn1 807979061 LWJSOTAHWMNLKQ-QWRGUYRKSA-N 244.302 0.671 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NCCc1cnoc1 640714140 PSVLMWBHDLIRFQ-MNOVXSKESA-N 236.271 0.924 30 20 BCED C=C[C@H](O)C(=O)N(C)Cc1ccccn1 646690774 RRAYKHCCSRLAEA-JTQLQIEISA-N 206.245 0.587 30 20 BCED CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)C#N 297726284 GDNKWUITOGUHPA-SNVBAGLBSA-N 239.319 0.909 30 20 BCED C=CCOCCCN1C[C@H](OC)C[C@@H]1C(=O)O 566361204 FCSLBAAVJCDWQE-GHMZBOCLSA-N 243.303 0.753 30 20 BCED CC#CC[C@H](CO)NC(=O)[C@H](CC)OCC 649188610 NVDQHEWCUGJWDJ-MNOVXSKESA-N 227.304 0.692 30 20 BCED C#CCN(CC)C(=O)c1cc2n(n1)CCO2 290336962 JJYFHMQVEZUWBH-UHFFFAOYSA-N 219.244 0.371 30 20 BCED C=CCn1cc(C(=O)N[C@H](C)c2nc[nH]n2)nn1 648804690 TVZVJORFJKQFDP-SSDOTTSWSA-N 247.262 0.073 30 20 BCED CC#CC[C@H](CO)Nc1cc2c(nn1)CCC2 645404352 GUOYPJZJIWQZJL-LLVKDONJSA-N 231.299 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YPHLMFWSZWQFBZ-UHFFFAOYSA-N 242.238 0.864 30 20 BCED C=CCn1cc(CN[C@H](C=C)C(=O)OC)nn1 591607350 FIDRJYIMKFVAEN-SNVBAGLBSA-N 236.275 0.281 30 20 BCED N#Cc1cncc(N[C@@H](CO)[C@H]2CCCOC2)n1 591949442 JVSLCTNMRMNMGN-ONGXEEELSA-N 248.286 0.548 30 20 BCED COC(=O)[C@@H]1CN([C@H](C)CCC#N)C[C@H](C)O1 593086650 WQYBHOXERRPWKE-VWYCJHECSA-N 240.303 0.941 30 20 BCED C/C=C/C[C@H](CO)NC(=O)[C@H](C#N)CC 593613122 IARDXVKEBQLPCB-AETUYUCGSA-N 210.277 0.979 30 20 BCED CC[C@@H](C#N)N(C)C(=O)C1(OC)CCOCC1 594091148 KNBBFIKKMRWPBH-JTQLQIEISA-N 240.303 0.943 30 20 BCED CN(CCC#N)S(=O)(=O)N[C@@]12CCC[C@@H]1C2 594802408 JGIHWMCFIMCNBS-NXEZZACHSA-N 243.332 0.609 30 20 BCED N#CC1(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 595728163 KLHIPQPJKYTJIF-GHMZBOCLSA-N 233.315 0.891 30 20 BCED CC(F)(F)CNC(=O)[C@H](N)CCCC#N 595971985 YNPNWGGRJCMOPN-SSDOTTSWSA-N 219.235 0.779 30 20 BCED N#Cc1cccc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)n1 595976692 DMFXNJOBGAPTJC-SFGNSQDASA-N 247.254 0.589 30 20 BCED N#Cc1cnnc(N[C@H](CO)CC(F)(F)F)c1 596175072 KUCIJDYYIPBQQF-ZETCQYMHSA-N 246.192 1.073 30 20 BCED C[C@H](C#N)CN(C)C(=O)NCCOCCF 596971370 QJADIRMZBAKEES-SECBINFHSA-N 231.271 0.774 30 20 BCED C=C[C@@H](O)C(=O)N(C)CC(=O)OC(C)(C)C 597054449 ZGGXBGWGRJSFDZ-MRVPVSSYSA-N 229.276 0.333 30 20 BCED Cc1nccnc1C(=O)N1CCN(CC#N)CC1 597274596 QVSAZWNMGBCRLV-UHFFFAOYSA-N 245.286 0.066 30 20 BCED CO[C@H]1CN(C(=O)c2ccc(C#N)n2C)CCO1 597538897 FEOMKGWUFXJJEC-LLVKDONJSA-N 249.270 0.342 30 20 BCED C=CCOC[C@H](NC(=O)CCCF)C(=O)OC 597607162 OFLCTIYUTMOTKU-VIFPVBQESA-N 247.266 0.597 30 20 BCED C[C@H](C#N)N(C(=O)c1ccnn1C)C1CC1 598129430 HSFAJPMFHMGUDF-MRVPVSSYSA-N 218.260 0.937 30 20 BCED C[C@H]1CCN(CCOCCC#N)C[C@H]1CO 598645500 FMSWOVHZDRPGPU-RYUDHWBXSA-N 226.320 0.867 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](C)CC[S@](C)=O 598687367 LIXKCAWFSOOHEF-OWCSCZDJSA-N 233.333 0.197 30 20 BCED CN1C[C@H](NC[C@@H](O)CC(C)(C)C#N)CC1=O 598718697 CMWGRZFHGIWILB-ZJUUUORDSA-N 239.319 0.107 30 20 BCED CC(C)CC[C@@H](CO)Nc1ccc(C#N)nn1 599136855 AUDBABZAOYIWNK-NSHDSACASA-N 234.303 1.557 30 20 BCED CC(C)(C)CNC(=O)Cn1cncc(C#N)c1=O 600550451 JNFQUCZDJTXKTG-UHFFFAOYSA-N 248.286 0.277 30 20 BCED COCCn1cc(C(=O)N[C@H](C)CC#N)cn1 601023028 VSGVXRPVHJZLDY-SECBINFHSA-N 236.275 0.561 30 20 BCED CN1CCCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1 602143256 RWUCEDKDBUPXSY-JQWIXIFHSA-N 239.294 0.935 30 20 BCED C[C@H](C#N)N(C)C(=O)[C@H]1C[C@]12CCOC2 602424033 WXXAOMAMSDCBNR-KKZNHRDASA-N 208.261 0.783 30 20 BCED C[C@@H](CC#N)N(C)C(=O)CNC[C@H]1CCCO1 602594200 UMBKNHVEVNZEQQ-WDEREUQCSA-N 239.319 0.516 30 20 BCED C[C@@H](SCCO)C(=O)NC1(C#N)CCC1 603313195 QAULHZAKEXODJE-MRVPVSSYSA-N 228.317 0.663 30 20 BCED CNC(=O)C1(C(=O)N(C)C[C@@H](C)C#N)CCC1 609264450 GXZGQJMCZQTDAB-VIFPVBQESA-N 237.303 0.521 30 20 BCED N#CCNC(=O)CN1CCCOc2ccccc21 610998967 BTJROTQCVPJAQV-UHFFFAOYSA-N 245.282 0.915 30 20 BCED Cn1cncc1CN1CCN(CCC#N)CC1 611174759 LZXPHSDQWQCUTB-UHFFFAOYSA-N 233.319 0.451 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](CO)c1ccc(F)cc1 613215204 UFWCOTYBBSCGPS-QWRGUYRKSA-N 239.246 0.522 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 613545351 OAKWNXPSTNCZJJ-LOWVWBTDSA-N 239.315 0.997 30 20 BCED C=C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N1 614134184 UZDXYWMBRSJPOQ-IUCAKERBSA-N 208.261 0.442 30 20 BCED C=C[C@@](C)(O)C(=O)N(C)c1nnc(C)s1 615047973 WQEIAFCFTNSWQC-SECBINFHSA-N 227.289 0.746 30 20 BCED C=C[C@@H](O)C(=O)N(C)Cc1conc1CC 615369626 PSCXLJXKPJPUCL-SNVBAGLBSA-N 224.260 0.742 30 20 BCED C=C[C@](C)(O)C(=O)NCc1nccn1CC 615711183 UIZPVLBZHBYADS-NSHDSACASA-N 223.276 0.456 30 20 BCED C=CCOCC(=O)N1CC[C@@H](C)[C@@H](CO)C1 622228095 RSLHSIJUHDEGGB-GHMZBOCLSA-N 227.304 0.666 30 20 BCED C=C[C@H](O)C(=O)N1CC[C@@H](COCC)C1 646894131 LGYNQZOBJXTASV-ZJUUUORDSA-N 213.277 0.418 30 20 BCED C=CCCN(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)N 647597918 YCFBSCVGYJEXIR-UWVGGRQHSA-N 241.335 0.263 30 20 BCED C=CCCOCC(=O)N[C@H]1COC[C@H]1OC 655492204 IYSXXVJYBIJIBO-VHSXEESVSA-N 229.276 0.109 30 20 BCED C=CCCNC(=O)N[C@H](C)c1ncnn1C 661064638 HEIHSYOTOYTELH-MRVPVSSYSA-N 223.280 0.751 30 20 BCED C=C[C@H](CO)NC(=O)NCCCC1(O)CCC1 661334115 DZQUQKMTHDQIGY-SNVBAGLBSA-N 242.319 0.528 30 20 BCED C=CCCCCCN(C)C(=O)C1(O)CNC1 662612277 NSJSYQWGITURQI-UHFFFAOYSA-N 226.320 0.526 30 20 BCED C=C[C@](C)(O)C(=O)NC[C@@H]1CCCCN1CC 668574093 BAQYCZMJISAAPE-AAEUAGOBSA-N 240.347 0.914 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H]1CCSC1 669282223 IKTYUBKLERLFIG-CBAPKCEASA-N 201.291 0.545 30 20 BCED C=CCOCCNC(=O)N1CC[C@H](O)[C@@H](C)C1 673011047 VKZBAFOCYXORQO-QWRGUYRKSA-N 242.319 0.601 30 20 BCED C#CCONC(=O)[C@H]1CC(=O)N(CC(C)C)C1 700613277 PXIODQMLNLGNFQ-JTQLQIEISA-N 238.287 0.172 30 20 BCED CN1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@H]2C1 706242883 NWXGWXNRZHEPCV-UWVGGRQHSA-N 229.287 0.346 30 20 BCED Cn1cc(/C=C\C(=O)N(CC#N)C2CC2)cn1 706720389 FKXCDGBHUWDPRC-DJWKRKHSSA-N 230.271 0.948 30 20 BCED C#CC[C@H](CO)NC(=O)CCCOCC 717801639 MBWRKHNBGLDTMW-SNVBAGLBSA-N 213.277 0.304 30 20 BCED C#CCC[C@H](O)CNC(=O)[C@H]1C[C@H]1OCC 717852866 SNQAPYXBORVVFR-GARJFASQSA-N 225.288 0.302 30 20 BCED CN(CCCC(=O)O)C(=O)c1ccc(C#N)nc1 737433792 YAZINGDJPIDIQS-UHFFFAOYSA-N 247.254 0.890 30 20 BCED CC(C)S(=O)(=O)NN=Cc1cc[nH]c1 745196907 QIWQZYYNHHUNDA-UHFFFAOYSA-N 215.278 0.676 30 20 BCED C=CCOC(=O)c1ccc(S(N)(=O)=O)s1 745253552 SPUAYXOCDFIATQ-UHFFFAOYSA-N 247.297 0.738 30 20 BCED N#Cc1c[nH]c(C(=O)N2CCC3(C2)OCCO3)c1 748310517 PCFSBHSLODMVOG-UHFFFAOYSA-N 247.254 0.475 30 20 BCED C#CCCCNS(=O)(=O)Cc1cc(C)no1 749181032 JEPWIRBXNDJBHC-UHFFFAOYSA-N 242.300 0.816 30 20 BCED COCCS(=O)(=O)CCCN(C)CCC#N 751476283 XKJMKLNYDRJDLN-UHFFFAOYSA-N 248.348 0.283 30 20 BCED CCCn1cc(C(=O)O[C@@H](C#N)COC)nn1 751501057 FAURIMDCRKGDKZ-QMMMGPOBSA-N 238.247 0.383 30 20 BCED COC[C@H](C#N)OC(=O)[C@H]1CCO[C@@H]1C 751537315 HGVGUQQFQUBLHI-VGMNWLOBSA-N 213.233 0.493 30 20 BCED C#CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 753969094 SKOWBGGTAGEQMM-UHFFFAOYSA-N 243.266 0.195 30 20 BCED Cn1c(C=NNCCCO)nc2ccccc21 755698912 IRUYYDAACOFHCP-UHFFFAOYSA-N 232.287 0.879 30 20 BCED C[C@@H]1CN(C2CC2)CC1=Nn1cnnc1 755873715 LCJICXSNYFWYNV-MRVPVSSYSA-N 205.265 0.596 30 20 BCED CCC1(C(=O)NC2(C#N)CCOCC2)COC1 757966228 NYJPMDGWKKPQGK-UHFFFAOYSA-N 238.287 0.602 30 20 BCED C#CCNC(=S)NCC(=O)N1CCCCC1 758188945 AKGKIDZSOYLZBQ-UHFFFAOYSA-N 239.344 0.096 30 20 BCED C#CCN(CC)C(=O)NCCC1(C)OCCO1 760156081 JTQXSQFZMQOFMN-UHFFFAOYSA-N 240.303 0.804 30 20 BCED COC(=O)C[C@H](C)C(=O)[C@H](C#N)c1ccncn1 760333107 IRRNILLXRSEZJP-DTWKUNHWSA-N 247.254 0.852 30 20 BCED C#CCCN1CCC[C@@H](CCC(N)=O)C1 760828874 ZCDOGSMTFPHVQI-NSHDSACASA-N 208.305 0.987 30 20 BCED CNC(=O)[C@H](C#N)C(=O)c1csnc1C 761093758 NGYWZBWGZIGMCX-ZCFIWIBFSA-N 223.257 0.520 30 20 BCED C#Cc1ccc(C(=O)NC[C@H](O)CCC)cn1 762443464 XEDQOKQTLWWCDJ-GFCCVEGCSA-N 232.283 0.954 30 20 BCED C=C(CN(C)C)C(=O)Nc1ccc(C(N)=O)cc1 763899241 PRABJUPGZXDGAP-UHFFFAOYSA-N 247.298 0.842 30 20 BCED C#CCCCN1CCN(CCCCO)CC1 766920980 SGCYNRAGHYHIDH-UHFFFAOYSA-N 224.348 0.790 30 20 BCED C#CCCCN1CCN(C(C)(C)CO)CC1 766922722 XJAJDIDABXSRKL-UHFFFAOYSA-N 224.348 0.788 30 20 BCED C#C[C@H](Nc1ccc(C#N)nn1)[C@H]1CCCO1 772254991 IOYWOKKLZAZZFL-WDEREUQCSA-N 228.255 0.941 30 20 BCED COc1cc(C(=O)O[C@H](C#N)C2CC2)nn1C 774130642 LSLBOOUZACKVKN-SECBINFHSA-N 235.243 0.888 30 20 BCED C=CCS(=O)(=O)NC(=O)[C@H](C)CCCOC 778324076 HABAWOCQNRVVIW-SECBINFHSA-N 249.332 0.681 30 20 BCED CC[C@@H](CO)C(=O)N[C@@]1(C#N)CCSC1 779756893 ZNYDZWWJULCLIE-WCBMZHEXSA-N 228.317 0.520 30 20 BCED C=CCS(=O)(=O)CCNC(=O)C1(C)CC1 783535995 KKUANCLIGWNLTE-UHFFFAOYSA-N 231.317 0.504 30 20 BCED C#CCNC(=S)N1C[C@H](C)O[C@@H](COC)C1 783952404 YVTOCHDNSMQYLK-VHSXEESVSA-N 242.344 0.230 30 20 BCED C#CCOCCNC(=O)[C@H]1CO[C@@H](C)C1 784151419 BUMVUBNJFZBFSB-VHSXEESVSA-N 211.261 0.177 30 20 BCED C#C[C@@H](CCC)NC(=O)N[C@H](C)C(=O)NCC 791013696 WBINRLUEMCAATL-ZJUUUORDSA-N 239.319 0.612 30 20 BCED C=C(CO)C(=O)NC[C@](C)(O)c1ccsc1 791372107 AQESKBFFZXCZQA-NSHDSACASA-N 241.312 0.620 30 20 BCED C=CCNC(=S)NN=Cc1cn(C)cn1 794467359 XSRRWYSRMCDYSY-UHFFFAOYSA-N 223.305 0.404 30 20 BCED N#Cc1ccc(C(=O)OCC2=CC(=O)OC2)o1 797103656 BIGHLTMDASDGBB-UHFFFAOYSA-N 233.179 0.791 30 20 BCED N#CC1(CNC(=O)CC2OCCO2)CC1 797779830 BKRYYKGTDCZVOO-UHFFFAOYSA-N 210.233 0.169 30 20 BCED C#CCC[C@H](O)CNC(=O)C(C)(C)OC(C)=O 799079634 RHTQCJRAEOVAEH-JTQLQIEISA-N 241.287 0.219 30 20 BCED CC#CC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 801217535 XTDWUPFGPNBJTO-LLVKDONJSA-N 238.331 0.313 30 20 BCED CON=CC(=O)N(C)CC(C)(C)OC 809718693 MZLKZTZVAWNVDC-UHFFFAOYSA-N 202.254 0.502 30 20 BCED C#CCONC(=O)c1cccc2nc[nH]c12 812786886 YTNBQCGCDGARCF-UHFFFAOYSA-N 215.212 0.858 30 20 BCED C=CCCCS(=O)(=O)N1C[C@@H]2C[C@]2(CO)C1 813694206 MWCSOJNOKRNMCF-WDEREUQCSA-N 245.344 0.597 30 20 BCED O=[N+]([O-])c1cc(C=NNCCO)cs1 814942601 LACIHEAXAWFKEC-UHFFFAOYSA-N 215.234 0.572 30 20 BCED COC(=O)C[C@H]1CCC(=NNCCO)[C@@H]1C 814944651 SGYZHQIAAFXWOC-RKDXNWHRSA-N 228.292 0.534 30 20 BCED C[C@@H](O)CNN=Cc1cc(C(N)=O)cs1 814959467 DOROWYSEUFLLNS-ZCFIWIBFSA-N 227.289 0.151 30 20 BCED C[C@@H](O)CNN=Cc1ccc(O)c(F)c1 814959658 JRMWFKPYIWNLHG-SSDOTTSWSA-N 212.224 0.836 30 20 BCED CCNC(=O)COC(=O)c1ncc(C#N)cc1C 815340088 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O/C(=N/[C@@H]1[C@H]2COC[C@H]21)c1ccc2nncn2c1 330109007 OOLLJMYOIMYKMC-JZYVYDRUSA-N 244.254 0.679 30 20 BCED CO[C@@H](C)C(=O)N[C@](C)(C#N)CSC 345136073 GPQHDXMVFICSCS-IONNQARKSA-N 216.306 0.783 30 20 BCED C[C@H](C#N)C(=O)Nc1nnc2ccccn12 347078795 VHQCACQPGFFPRD-SSDOTTSWSA-N 215.216 0.827 30 20 BCED C=CCOCC(=O)NCc1snnc1C 344624365 IOOWEJXMPDKJFQ-UHFFFAOYSA-N 227.289 0.665 30 20 BCED C[C@H]1CC[C@@H](C(=O)NCC(=O)NCC#N)C1 344179641 NVRVNTDWRHHWRQ-DTWKUNHWSA-N 223.276 0.179 30 20 BCED C=C[C@@](C)(O)CC(=O)N[C@H](C)c1ncon1 346840521 GFLGPBSOTBLDDM-GMSGAONNSA-N 225.248 0.574 30 20 BCED N#CC1(NC(=O)[C@@H]2CCCNC2=O)CCC1 601017467 IVBYASBUSQGCPO-MRVPVSSYSA-N 221.260 0.075 30 20 BCED Cn1nncc1CN1CCC(F)(C#N)CC1 348710831 DROOBYAONVYBNG-UHFFFAOYSA-N 223.255 0.643 30 20 BCED N#CCNC(=O)CC1CCN(CC(F)F)CC1 602087745 YCRJIRMOPSOTDH-UHFFFAOYSA-N 245.273 0.993 30 20 BCED CCCn1c(C)nnc1Cn1cc(C#N)nn1 603336863 ULNJFWBXSZANNA-UHFFFAOYSA-N 231.263 0.508 30 20 BCED COc1ccnc(CC(=O)N(C)CC#N)c1 346278194 ITGBQBLHVYXRHG-UHFFFAOYSA-N 219.244 0.615 30 20 BCED N#C[C@@H]1CCC[C@H](NC[C@H]2COCCN2)C1 527533843 WFJBPBMKYQCADW-WOPDTQHZSA-N 223.320 0.647 30 20 BCED N#CC1(C[C@H](O)CN[C@@H]2CCC[C@H]2O)CC1 600738748 MJWFVXWCYGKOOT-HBNTYKKESA-N 224.304 0.544 30 20 BCED C=CCOCCCN1CCNC(=O)CC1 348060945 SJORZMCTQUIMBK-UHFFFAOYSA-N 212.293 0.401 30 20 BCED C#CCCN1CCN(C(=O)c2ccnn2C)CC1 299615344 KJIAKDFWRSUDKM-UHFFFAOYSA-N 246.314 0.201 30 20 BCED C=CC[C@@H](C)NC(=O)[C@@H](C)N1CCOCC1 342356514 CBOLEEJRYDKBPF-GHMZBOCLSA-N 226.320 0.788 30 20 BCED Cc1[nH]nc(NC(=O)C2(CN(C)C)CC2)c1C#N 602189255 OBNFSEMDJRGKPD-UHFFFAOYSA-N 247.302 0.870 30 20 BCED C=C[C@H](C)NC(=O)N[C@H](CO)c1cnn(C)c1 352248725 CUKNLPKOWSABFS-WCBMZHEXSA-N 238.291 0.327 30 20 BCED COCC1(C(=O)N2CC(O)(CC#N)C2)CCC1 354878045 MAVORWRYGHNJQB-UHFFFAOYSA-N 238.287 0.290 30 20 BCED C=CCN(CCC#N)C(=O)[C@H]1CCNC(=O)C1 359433353 DANYOHISAGIYDX-JTQLQIEISA-N 235.287 0.441 30 20 BCED C=CCCS(=O)(=O)N[C@@H](CO)C/C=C\C 351593178 BNYOBONMMGJLKM-TZGMSPROSA-N 233.333 0.809 30 20 BCED C=C[C@@H](CO)NC(=O)c1cn(C(C)(C)C)nn1 356850156 ARZCZCUZGUHFSG-QMMMGPOBSA-N 238.291 0.310 30 20 BCED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cn1 446596480 LORASGMPVZIXIM-ZETCQYMHSA-N 237.234 0.850 30 20 BCED Cc1ccnc(NC(=O)CN(C)C(=O)CC#N)c1 613926762 ZIDYUMPIVMLALF-UHFFFAOYSA-N 246.270 0.701 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@H]1CCCc2nn(C)cc21 614543925 XLXIYUQMMCWIJI-GXFFZTMASA-N 249.314 0.851 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)COC 359682400 XHXPKJNELHOBII-DCAQKATOSA-N 243.303 0.091 30 20 BCED CN(CC#N)C(=O)CCC(=O)c1cnn(C)c1 355458854 QSTNOLSJGQBWQJ-UHFFFAOYSA-N 234.259 0.365 30 20 BCED C=CC[C@@H](C)NC(=O)NCc1nnc2n1CCC2 265309858 PLIUDJAKPNDPLB-SECBINFHSA-N 249.318 0.988 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H]1CCN(CC(F)F)C1 616349793 WWMLTTSLDSJLPI-KCJUWKMLSA-N 248.273 0.379 30 20 BCED CNC(=NC[C@H](O)Cc1ccccc1)NC 264160459 BGBXAOPGXZRORT-LLVKDONJSA-N 221.304 0.385 30 20 BCED C=C[C@@H](O)C(=O)NCC1(COC)CCOCC1 615166615 JRWWYJXFIQJJFQ-SNVBAGLBSA-N 243.303 0.093 30 20 BCED C=CCC[C@H](O)CN1CCC[C@H]1C(=O)OC 268574021 RVDYBVFJBBLASR-QWRGUYRKSA-N 227.304 0.951 30 20 BCED C=CCC[C@H](O)CN1CCNC(=O)[C@@H]1CC 268514275 CWGAFLRUSHFWNK-QWRGUYRKSA-N 226.320 0.524 30 20 BCED CC#CCNC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 367175961 DPBSXVJEOIQUGG-WRWGMCAJSA-N 234.299 0.829 30 20 BCED CC#CC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 277798928 VLZQFFBUDREZAH-GHMZBOCLSA-N 208.305 0.999 30 20 BCED CC(=O)NCCCN1CC[C@@](F)(C#N)C1 615645743 PPWUMVWOMHSIIO-SNVBAGLBSA-N 213.256 0.450 30 20 BCED C=CC[C@H](CC)NC(=O)C1(n2cnnn2)CC1 614395682 CALBDLOOYJUAMW-VIFPVBQESA-N 235.291 0.633 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)Cn1ccc(C)n1 452949720 XODUZQIMOAEMAW-MNOVXSKESA-N 235.287 0.651 30 20 BCED C=C(CC)CNc1c(C#N)c(=O)n(C)c(=O)n1C 450908527 GZVFALBJHCWXSY-UHFFFAOYSA-N 248.286 0.334 30 20 BCED C=C[C@@H](CO)NC(=O)c1cc(C)c(C#N)cn1 457799157 FVPHJFJXRSMOPX-JTQLQIEISA-N 231.255 0.538 30 20 BCED C[C@@](O)(CN=C(N)N)c1ccc(F)cc1 270457836 WHVVEQBEHBXRGQ-SNVBAGLBSA-N 211.240 0.307 30 20 BCED CC#CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 626302211 OKEAMQKBOJIHEY-RKDXNWHRSA-N 208.261 0.041 30 20 BCED N#Cc1ncc(OCC(=O)NCC2CC2)cn1 548284033 YTNLXBSNKYWWDQ-UHFFFAOYSA-N 232.243 0.253 30 20 BCED CC#CCCNC(=O)N1CC[C@@H](CO)C1 361634907 CNXKETPZJRXPLG-SNVBAGLBSA-N 210.277 0.424 30 20 BCED Cn1nnnc1S[C@H]1CC[C@H](C#N)C1 278615099 RXHTUODJQUFSOW-BQBZGAKWSA-N 209.278 0.994 30 20 BCED CC(=O)N1CCCC[C@H]1C(=O)N(C)CC#N 285861452 DKCOHYBWGXPNBC-JTQLQIEISA-N 223.276 0.369 30 20 BCED C=CCN(C)S(=O)(=O)c1conc1C 632239381 NGJRJMSKLFYXRB-UHFFFAOYSA-N 216.262 0.790 30 20 BCED C=CCCOCCNC(=O)C(=O)N(C)C1CC1 289465062 VMHCCTPNVAEYGB-UHFFFAOYSA-N 240.303 0.316 30 20 BCED C#CCN(C)CCCNC(=O)c1cnn(CC)c1 294103105 YKSJEMVVBMWXBK-UHFFFAOYSA-N 248.330 0.588 30 20 BCED C=C[C@@H](CO)NC(=O)c1coc(CCC)n1 292729922 PMFKWFHDJRKCGG-QMMMGPOBSA-N 224.260 0.904 30 20 BCED C[C@@]1(NC(=O)c2ccc(C#N)cc2)CCOC1=O 291392084 GOJDEQQUSOMRFV-CYBMUJFWSA-N 244.250 0.994 30 20 BCED N#CCCCNC(=O)c1cc(C=O)c[nH]1 293593603 XJCVGTJEOJZOEZ-UHFFFAOYSA-N 205.217 0.861 30 20 BCED C=C[C@H](C)NC(=O)N[C@@H]1COC[C@H]1OC 645271664 NJWQMLQJLNNOBY-DJLDLDEBSA-N 214.265 0.274 30 20 BCED C=CCn1cc(C(=O)NCCC2CC2)nn1 648304886 QPSDMLYZOIAZKA-UHFFFAOYSA-N 220.276 0.994 30 20 BCED C#Cc1cncc(C(=O)N2CCC(CO)CC2)c1 807166116 QFQDXRJFCVIGIE-UHFFFAOYSA-N 244.294 0.907 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1cnn(CC)c1 649187389 OYKITWRWHJEJDQ-NSHDSACASA-N 235.287 0.407 30 20 BCED CC(C)(C#N)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21 567524320 JWXQWHUXZMUCQO-IVZWLZJFSA-N 238.287 0.456 30 20 BCED CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 299677552 URDNMWQKAPPXAF-LBPRGKRZSA-N 229.239 0.955 30 20 BCED C#CCONC(=O)[C@H]1CC[C@H](C(=O)OC)CC1 291349357 XBGUSCMWRNJWLI-MGCOHNPYSA-N 239.271 0.647 30 20 BCED C#C[C@H](C)NC(=O)C[C@@H](C)CC(=O)OC 290247070 VHDROVKKMKTFFJ-BDAKNGLRSA-N 211.261 0.714 30 20 BCED COC(=O)CN(CCO[C@H](C)C#N)C1CC1 801925875 KETGGHXZZOHRLM-SECBINFHSA-N 226.276 0.552 30 20 BCED C=C[C@@H]1OCCC[C@H]1NCC[C@@H]1CCNC1=O 567059250 STWWHVDTQWRWHC-UTUOFQBUSA-N 238.331 0.836 30 20 BCED N#Cc1nccc(N2CC[C@H](n3cccn3)C2)n1 565490463 KAEVTEHPSNCYMX-JTQLQIEISA-N 240.270 0.996 30 20 BCED Cc1nnsc1C=Nn1ccccc1=O 814226637 ZKNUOARJSPKBGG-UHFFFAOYSA-N 220.257 0.890 30 20 BCED CN(CC1CC1)C(=O)CN1CC(C)(C#N)C1 566569616 YXDMWDYZGGTIAH-UHFFFAOYSA-N 221.304 0.700 30 20 BCED C#CCCCS(=O)(=O)N1CCSCC1 710206107 ZRZVSAJQKXLRCO-UHFFFAOYSA-N 233.358 0.778 30 20 BCED C#C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] 811831321 FPUFGAHAAZXMNN-ZCFIWIBFSA-N 234.215 0.522 30 20 BCED CC#CC(=O)N[C@@H](CO)CC(F)(F)F 717782738 SHYOOXWRQWUYNQ-ZCFIWIBFSA-N 209.167 0.439 30 20 BCED N#CCNC(=O)COC(=O)C1(F)CCCCC1 811249904 YKRKKKKAUVIYGC-UHFFFAOYSA-N 242.250 0.842 30 20 BCED C=CCC(F)(F)C(=O)N(C)Cc1nncn1C 816683125 UAYOHYHVGGCTAU-UHFFFAOYSA-N 244.245 0.985 30 20 BCED C=CCCCC(=O)n1ncc(-c2nn[nH]n2)c1N 819740273 WYJBJCSTGSBFJA-UHFFFAOYSA-N 247.262 0.642 30 20 BCED Cc1cc(C)nc(NN=Cc2cnn(C)n2)n1 814681673 XKHNSTHXYFDUAK-UHFFFAOYSA-N 231.263 0.668 30 20 BCED C=C(C)CN(CCNC(C)=O)[C@H](C)C(=O)O 819706183 QISJQUGLNMIAIK-SECBINFHSA-N 228.292 0.474 30 20 BCED CC(C)N1CCC(C(=O)NCC#CCO)CC1 655057613 RCTWJCQHMIRKHU-UHFFFAOYSA-N 238.331 0.219 30 20 BCED C#CCN1CCC(C(=O)N2CCO[C@H]3C[C@@H]32)CC1 816900153 IQLJTSZHVQXDAE-STQMWFEESA-N 248.326 0.331 30 20 BCED C[C@@H]1COCC[C@@H]1CN=c1nc[nH]cc1C#N 571321467 WQJZYLFXYMIXME-NXEZZACHSA-N 232.287 0.855 30 20 BCED C[C@](C#N)(CC(=O)O)C(=O)NOC1CCCC1 819849500 ZRAFAGOETCPMSA-LLVKDONJSA-N 240.259 0.981 30 20 BCED CN(C)C(=S)NN=C1CCOC1(C)C 814843874 SQRKXRHMZPAMDC-UHFFFAOYSA-N 215.322 0.977 30 20 BCED C#Cc1ccc(C(=O)N(C)CC(=O)OC)cn1 728859432 XTIWLRSGFXNLFB-UHFFFAOYSA-N 232.239 0.308 30 20 BCED C=C(C)CNC(=O)NCCN1CCOC[C@H]1C 488586350 VPUQFMOXEGJJNL-LLVKDONJSA-N 241.335 0.582 30 20 BCED N#CC1(CNC(=O)c2cnc3cccnn23)CC1 574816356 JYDJVBOLCIANHI-UHFFFAOYSA-N 241.254 0.763 30 20 BCED CC[C@@](C)(C#N)NC(=O)C[C@@H]1CCC(=O)N1 824990042 AWWGOGVLKONURD-KWQFWETISA-N 223.276 0.464 30 20 BCED C=CCNC(=O)CN[C@@]1(CCOC)CCOC1 572945559 GMVCEHSOYUBUSE-LBPRGKRZSA-N 242.319 0.074 30 20 BCED C#CCNC(=O)NC[C@@H]1CCOC[C@@H]1C 491072961 WNZMHXNSMJOUJC-UWVGGRQHSA-N 210.277 0.591 30 20 BCED CC#CC[C@@H](CO)NC(=O)NC[C@H](C)OC 666216541 OBBMXGQBASRXCC-UWVGGRQHSA-N 228.292 0.095 30 20 BCED C=CCCNC(=O)N1CCCN(C)CC1 665948627 UAWHVYPBHXAZFQ-UHFFFAOYSA-N 211.309 0.910 30 20 BCED C=CCOCC(=O)N[C@@](C)(COC)CC(=O)O 825691889 CGGMNPRLMGXJQF-LLVKDONJSA-N 245.275 0.185 30 20 BCED C=C[C@H](CC)CC(=O)N1CC[C@@H](O)[C@H](CO)C1 822825086 BKMQIVUUCDTMCS-GRYCIOLGSA-N 241.331 0.790 30 20 BCED CNC(=O)c1ccc(C(=O)OCCCC#N)cn1 728679425 ZSNGHFSIVTUETL-UHFFFAOYSA-N 247.254 0.902 30 20 BCED CCCCC[C@@H](O)C(=O)N[C@](C)(C#N)COC 827080996 AZKYUGTUUANMKS-ZYHUDNBSSA-N 242.319 0.972 30 20 BCED O=C(/C=C\c1cncc(F)c1)NCC#CCO 492906536 BELQLAICMWEFKY-ARJAWSKDSA-N 234.230 0.346 30 20 BCED C=CCCNC(=O)N(C)[C@@H](CC)CO 665940941 PWVKNCTUYHWWGB-VIFPVBQESA-N 200.282 0.975 30 20 BCED C=C[C@@H](O)C(=O)NCc1c(C)nn(C)c1C 669355784 YODGAMGTBMNUON-SNVBAGLBSA-N 223.276 0.200 30 20 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C=C[C@H](C)NC(=O)[C@]1(C)C[C@H](OC)CN1 638004047 WGBRTFFVZFHDRQ-QXEWZRGKSA-N 212.293 0.444 30 20 BCED C#CCN(C)C(=O)c1nc2nc(C)cc(C)n2n1 191003035 UTFFJEBZPBFFDL-UHFFFAOYSA-N 243.270 0.446 30 20 BCED CC[C@@H](C#N)C(=O)N1CCNC(=O)[C@H]1C(C)C 593450328 MFEXWIZSZFASJZ-VHSXEESVSA-N 237.303 0.519 30 20 BCED CC[C@@H](C#N)C(=O)N[C@@H]1CCn2ccnc2C1 593618797 VDIMFKHCGRTMCD-VHSXEESVSA-N 232.287 0.864 30 20 BCED C#CCCS(=O)(=O)N1CCOC[C@@]1(C)CC 710917796 QOJYJQBFLMCJLP-LLVKDONJSA-N 245.344 0.840 30 20 BCED C#CCOCCC(=O)N1CCCc2n[nH]cc21 790072580 TWIYEJDAWKOJJB-UHFFFAOYSA-N 233.271 0.729 30 20 BCED C#CCNC(=O)COC(=O)c1ccc(C#N)o1 796154502 RBVCDBZILCSNLM-UHFFFAOYSA-N 232.195 0.057 30 20 BCED C#CCNCCNC(=O)c1cc2c([nH]1)CCCC2 1146889898 OYUOKZSSMUYHKT-UHFFFAOYSA-N 245.326 0.846 30 20 BCED C=C(CO)C(=O)NC[C@@H](O)c1cccc(F)c1 791385169 LPGHBXUCPWVWEL-LLVKDONJSA-N 239.246 0.524 30 20 BCED C#CC[C@H](CO)NC(=O)CC[C@@H]1CCOC1 717803023 SKKWEZOWPLIZAM-GHMZBOCLSA-N 225.288 0.304 30 20 BCED C#CCC[C@H](O)CNc1ccnc(N)n1 717955395 GQLHGCJKPNRGCE-QMMMGPOBSA-N 206.249 0.245 30 20 BCED CC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#N)C2)C1 1071108056 ZYOGJINTNLZGGD-PWSUYJOCSA-N 237.303 0.222 30 20 BCED Cc1[nH]ncc1C(=O)N(CC#N)CC#N 70650982 NMZAJEDLNHUEQZ-UHFFFAOYSA-N 203.205 0.207 30 20 BCED C=CCN(CCCC(=O)N(C)C)CCOC 582614941 ODNRLPLYCVOJCE-UHFFFAOYSA-N 228.336 0.989 30 20 BCED N#Cc1ccnnc1N[C@@H]1CC=C(C(=O)O)C1 694986525 PFXXBFQWNMGNSM-SECBINFHSA-N 230.227 0.934 30 20 BCED CCNC[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 1078357895 DKSMOSIUHYHMNT-GHMZBOCLSA-N 239.319 0.373 30 20 BCED C#CCN[C@H]1CCN(C(=O)C(F)F)[C@@H]1C 985836749 GLTWSMSGZOGHBI-SFYZADRCSA-N 216.231 0.464 30 20 BCED C[C@H]1CO[C@H](CO)CN1CCCCC#N 88092315 KFCSHAYQKZSWDT-QWRGUYRKSA-N 212.293 0.762 30 20 BCED C=CCCN1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C 1071789530 VFZKXNQZHKTOHQ-ZJUUUORDSA-N 239.319 0.017 30 20 BCED C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cc[nH]c1 986298719 CQAIWPRZSNSQKC-MWLCHTKSSA-N 232.287 0.731 30 20 BCED C#CCOCCNC(=O)c1c(C)noc1C 784601292 SHHPSCORIGQGPQ-UHFFFAOYSA-N 222.244 0.671 30 20 BCED C#CCOCCNC(=O)[C@@H](C)CSC 784601876 QCYBPNPBOZMFMK-VIFPVBQESA-N 215.318 0.752 30 20 BCED C#CCNCCCNC(=O)[C@H](OCC)C1CC1 1158132887 WUAUIHSQTXGHAG-GFCCVEGCSA-N 238.331 0.531 30 20 BCED C=CCN[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C 1082498186 HJQGGDUGNMVGLE-IJLUTSLNSA-N 240.347 0.626 30 20 BCED N#CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO2)C1 1086020853 WODBHUGMDGZEGX-AXFHLTTASA-N 237.303 0.173 30 20 BCED C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC#N 1234216576 ZGXROFSKEHPBFX-NWDGAFQWSA-N 249.314 0.081 30 20 BCED N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccon1 1085140608 MIUVHIINRWHBEI-NXEZZACHSA-N 248.286 0.829 30 20 BCED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC1 1082974134 FTQWNSFOXBMHAY-QWHCGFSZSA-N 248.326 0.331 30 20 BCED C#CCNC1CC(N(C)C(=O)c2nonc2C)C1 999913282 AASWSBVNOFCGOM-UHFFFAOYSA-N 248.286 0.204 30 20 BCED C#CCNCCCNC(=O)[C@@H](C)[C@H]1CCCO1 1166203413 CEQDIJROBVBFDE-NWDGAFQWSA-N 238.331 0.531 30 20 BCED N#CCNCCCNC(=O)[C@@H]1CC[C@@H](F)C1 1164659584 GGHLRKOAXSHTAA-NXEZZACHSA-N 227.283 0.744 30 20 BCED COCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N 1231293632 OXSBYJSYLYAHQD-QWRGUYRKSA-N 239.319 0.325 30 20 BCED CC[C@H](C#N)OC(=O)C1CCS(=O)(=O)CC1 1320524726 DMPXDPMXCBIWKQ-SECBINFHSA-N 245.300 0.657 30 20 BCED N#Cc1cc(C(=O)NC2(C(=O)O)CCC2)ccn1 1610624984 FZYZFYAGFPKHHS-UHFFFAOYSA-N 245.238 0.690 30 20 BCED N#CC[C@@]1(O)CCN(CC[C@@H]2CCOC2=O)C1 1329271608 CEDVKQRRFXXNEH-ZYHUDNBSSA-N 238.287 0.290 30 20 BCED CN(CCO)Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1 1329626192 MFDYEBDNRNHPSV-CMPLNLGQSA-N 249.318 0.567 30 20 BCED N#CCCN(CC1CC1)C(=O)Cn1cnc(N)n1 1616429958 XYRFWRZVOKBZRM-UHFFFAOYSA-N 248.290 0.013 30 20 BCED C[C@H](C(=O)N1CCOC[C@@H]1C#N)c1cnccn1 1332094909 XFOMAFPWYSJHTR-UWVGGRQHSA-N 246.270 0.331 30 20 BCED C#CC1CCN(C(=O)[C@H](O)C2CC2)CC1 1329337356 DFKFUUGTIBBGSL-LLVKDONJSA-N 207.273 0.629 30 20 BCED N#CCC(=O)NCc1cccc(C(N)=O)c1 1320343947 SBYNOYIMMXUSLV-UHFFFAOYSA-N 217.228 0.315 30 20 BCED Cn1cc(C#N)c(NC(=O)COC(F)F)n1 1323454843 OFQQJIDMNMPJJJ-UHFFFAOYSA-N 230.174 0.469 30 20 BCED CCN(CCC#N)C(=O)[C@@H](O)c1ccccn1 1322366139 KILYQNJLMPLMMJ-NSHDSACASA-N 233.271 0.877 30 20 BCED CC#CCN(C)C(=O)CO[C@H]1CCOC1 1330483806 MPIOJZDFABHSTG-JTQLQIEISA-N 211.261 0.274 30 20 BCED C=CCN(C)c1nnnn1[C@@H](C)COC 1334458363 NPCZMYSDALWFJF-QMMMGPOBSA-N 211.269 0.503 30 20 BCED C#CCSCC(=O)NC1(C(=O)OC)CC1 1331315039 MQZCFBMVSOWTFE-UHFFFAOYSA-N 227.285 0.175 30 20 BCED C#CCOCCC(=O)NCc1cnccn1 1337754507 JIIVQSPDFLIDNA-UHFFFAOYSA-N 219.244 0.133 30 20 BCED C#CCN(CC(=O)O)C(=O)[C@]1(C)CC1(F)F 1588397506 KHYJBLBHQFAUTB-VIFPVBQESA-N 231.198 0.578 30 20 BCED CCn1nccc1C=Nn1nnc(C)c1C 1330882028 AFWWPWAMECJSCE-UHFFFAOYSA-N 218.264 0.994 30 20 BCED C=CC[C@H](C)NC(=O)C(=O)Nc1cncnc1 1338072017 NSUYFAPYMOBTKT-QMMMGPOBSA-N 234.259 0.496 30 20 BCED C#Cc1ccc(C(=O)N[C@@H](C)C(=O)NCC)cc1 1331581997 IVUBPYJADDMBIY-JTQLQIEISA-N 244.294 0.922 30 20 BCED Cn1cc(C#N)c(NC(=O)[C@@]2(F)CCOC2)n1 1346910318 CXAMRXMXGGTQTH-SNVBAGLBSA-N 238.222 0.359 30 20 BCED CNC(=O)[C@H](C#N)C(=O)c1ccc(C(C)=O)o1 1343468467 BTIOHXABOKENDX-SSDOTTSWSA-N 234.211 0.551 30 20 BCED C=CCOCCNC(=O)N[C@]1(C)CCOC1=O 1346391009 WDGDRHHIXWMJNQ-LLVKDONJSA-N 242.275 0.194 30 20 BCED CC(=O)NCCc1cn(CC2(CC#N)CC2)nn1 1348512747 UFAFQUBFXXPTKY-UHFFFAOYSA-N 247.302 0.651 30 20 BCED N#Cc1cccc(C(=O)OC[C@@]2(O)CCOC2)n1 1343746375 URPXXTZOUQSQJO-GFCCVEGCSA-N 248.238 0.261 30 20 BCED C=C[C@H](COC)NC(=O)[C@@H](O)CCC 1342443868 TUJPXAJPFJZAIS-BDAKNGLRSA-N 201.266 0.465 30 20 BCED C=C(CC)C(=O)N1CCC(C(=O)NC)CC1 1348462209 DORPQCWNFPYBHL-UHFFFAOYSA-N 224.304 0.937 30 20 BCED C=C[C@](C)(O)C(=O)N1CCCSC1 1353823173 HOWAMOGSSTWMKC-VIFPVBQESA-N 201.291 0.846 30 20 BCED COCC[C@]1(NC[C@H](O)CC#N)CCOC1 1354713963 NUBWZNQRLNELNK-MNOVXSKESA-N 228.292 0.046 30 20 BCED CNC(=O)[C@H](C#N)C(=O)C[C@@H](C)n1ccnc1 1356115952 CAAYDBJPLSEGKX-RKDXNWHRSA-N 234.259 0.289 30 20 BCED C=C[C@@H](C)ONC(=O)CCc1nccn1C 1352325058 JLYXLUNLJSOZKQ-SECBINFHSA-N 223.276 0.975 30 20 BCED Cc1ccc(C#N)cc1C(=O)OCCC(N)=O 1517494335 KCRHUELVNYZHQC-UHFFFAOYSA-N 232.239 0.899 30 20 BCED Cn1c(C#N)ccc1C(=O)O[C@]1(C)CNC(=O)C1 1515362802 BYCWITKTUKVEMN-LBPRGKRZSA-N 247.254 0.332 30 20 BCED C[C@@H](C#N)C(=O)N1CC(NC(=O)CCC2CC2)C1 1297023019 TWEPRIKNLIDMMP-VIFPVBQESA-N 249.314 0.663 30 20 BCED C=C(CC)C(=O)NCCn1c(C)nnc1S 1521081087 RCKMIDCXCDXBAN-UHFFFAOYSA-N 240.332 0.958 30 20 BCED C#CCOCCN(C)C(=O)[C@@H](C)c1cnccn1 1521017762 GMTPVIYFROVQOZ-NSHDSACASA-N 247.298 0.688 30 20 BCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CCC#N 113259165 KLOWWBOBMRZAAU-DTWKUNHWSA-N 218.322 0.653 30 20 BCED O=C(O)CCN1CCC(=Nn2cnnc2)CC1 1608723526 SHRZPVUPJMBFDF-UHFFFAOYSA-N 237.263 0.053 30 20 BCED C=C(C)C[C@H](NC(=O)[C@H](C)NC)C(=O)O 1602748730 IYSHDNLRVQAOJO-YUMQZZPRSA-N 214.265 0.130 30 20 BCED N#Cc1ccc(CNC(=O)N2CCNCC2)cc1 116816750 VMYNNRPYXRQLLV-UHFFFAOYSA-N 244.298 0.673 30 20 BCED C=CC[C@H](NC(=O)[C@@]1(CC)CCCN1)C(=O)O 122394399 SALYCCDPMWKPFK-JOYOIKCWSA-N 240.303 0.664 30 20 BCED CN(C(=O)c1ccc(C#N)c(O)c1)c1nn[nH]n1 1557697326 PQXXBLKAMRHVNR-UHFFFAOYSA-N 244.214 0.054 30 20 BCED N#CC1CCN(C(=O)NC[C@H]2C[C@H](N)C2)CC1 1262097088 RICKUHFWKFFXFA-XYPYZODXSA-N 236.319 0.669 30 20 BCED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCC#CCN(C)C 1639134362 OSXZCJXRLIHMMQ-FVCCEPFGSA-N 249.358 0.895 30 20 BCED COc1ncc(NC(=O)[C@H]2C[C@H]2N)cc1C#N 1579324452 NIHUEMKMTRKYKK-DTWKUNHWSA-N 232.243 0.248 30 20 BCED CC(=O)N[C@@](C)(CNC(=O)[C@@H](C)C#N)C1CC1 1738180724 BGHTVCIOVUHUGK-UFBFGSQYSA-N 237.303 0.567 30 20 BCED CC(C)(C(=O)O)C(=O)Cn1cc(C#N)cn1 1589588912 NRBFHLKBUBCETC-UHFFFAOYSA-N 221.216 0.435 30 20 BCED N#Cc1c(F)ccc(NC(=O)[C@H]2C[C@H]2CN)c1N 1580056788 GAVOKASOXINNJJ-BQBZGAKWSA-N 248.261 0.813 30 20 BCED C=C[C@H](C(=O)O)n1cc(-c2ccn(C)n2)nn1 1588669449 LKYVJFIORBTFRV-SECBINFHSA-N 233.231 0.490 30 20 BCED N#CCC1(CNC(=O)C2(F)CCNCC2)CC1 1580048171 VNGHMVNKEVQKPA-UHFFFAOYSA-N 239.294 0.888 30 20 BCED CC(C)(C#N)OC(=O)c1ccc(-c2nn[nH]n2)o1 1589036158 UQOFTMZSDLPAID-UHFFFAOYSA-N 247.214 0.919 30 20 BCED C#CCOCCOC(=O)[C@@H]1CC[C@H]1C(=O)O 1588431665 TWPGFYAWFHJRLA-RKDXNWHRSA-N 226.228 0.290 30 20 BCED N#CC1(CNC(=O)CC2(N)CC2)CCOCC1 1580038242 IBDYJUZQGYGTTH-UHFFFAOYSA-N 237.303 0.304 30 20 BCED C=CCN(c1cc(-c2nn[nH]n2)cnn1)C1CC1 1588653589 OLZWQEMFWJXXQD-UHFFFAOYSA-N 243.274 0.812 30 20 BCED N#CCC1(CS(=O)(=O)N[C@H]2C[C@H](N)C2)CC1 1580048480 ZTOABQIHLVBPLT-KYZUINATSA-N 243.332 0.089 30 20 BCED C#CCN(CC(=O)O)C(=O)[C@H]1[C@@H](OCC)[C@@H]1C 1588398694 BGQODKOVNNCRKK-IEBDPFPHSA-N 239.271 0.204 30 20 BCED C=C[C@@H](C)NS(=O)(=O)CC1(C(=O)O)CC1 1588686889 IJBVVDNYMSPPIB-SSDOTTSWSA-N 233.289 0.345 30 20 BCED C=C[C@@](C)(O)CC(=O)NC(C)(C)C(=O)O 1588450933 HXUMUTMYURQGBS-SNVBAGLBSA-N 215.249 0.293 30 20 BCED C=C(C)CNC/C=C\CNC(=O)c1cncnc1 1754113858 QJCWHTYEQBBRKI-ARJAWSKDSA-N 246.314 0.928 30 20 BCED CC#CCNC[C@@H](C)NC(=O)[C@@]1(C)CCOC1 1754247303 RGCOKFHTPKESCY-YPMHNXCESA-N 238.331 0.531 30 20 BCED C#CCN(CC)C(=O)C(=C)CCC(=O)O 1588468377 XJEUEPACWUFZDS-UHFFFAOYSA-N 209.245 0.889 30 20 BCED C#CCN(C)[C@@H](C)CNC(=O)COCC1CC1 1755292152 IVMIBCGZGJNYFL-NSHDSACASA-N 238.331 0.483 30 20 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0.183 30 20 BCED C#CCSCC(=O)N[C@@H](C)CCN(C)C 896708768 WVBUPFHWFUAYFS-JTQLQIEISA-N 228.361 0.809 30 20 BCED CCc1ccc(CC(=O)[C@H](C#N)C(=O)NC)nc1 892518338 PZCZEPOOUKHYAI-NSHDSACASA-N 245.282 0.641 30 20 BCED C=CC[C@@H](CO)CNc1ncnc2c1ncn2C 678718591 GAUMURWWAYKBNU-SECBINFHSA-N 247.302 0.960 30 20 BCED N#Cc1cc(NC(=O)C[C@H](O)CN)ccc1F 703338198 SJUSPVRZFGCZDP-VIFPVBQESA-N 237.234 0.346 30 20 BCED C#CCCNCCNC(=O)[C@@H]1CO[C@H](C)C1 1130508517 QFWFTALFQXASRB-MNOVXSKESA-N 224.304 0.141 30 20 BCED CC#CCNCCNC(=O)Cc1ccc(F)cn1 1130398332 NDCUQDITXZQDRI-UHFFFAOYSA-N 249.289 0.492 30 20 BCED C#CCCCS(=O)(=O)N[C@H]1CCC[C@@H]1O 711163604 ZZBVITLLTAKTNU-UWVGGRQHSA-N 231.317 0.233 30 20 BCED CNC(=O)CN(C)c1cccc(C#N)n1 80117307 HWWYCDXIJYHXES-UHFFFAOYSA-N 204.233 0.135 30 20 BCED C=CCN(C(=O)[C@H](OC)C(=O)O)C(C)(C)C 713248788 BSQSJADJSXLFTN-QMMMGPOBSA-N 229.276 0.899 30 20 BCED CC(C)C#CC(=O)N1CCC(CNCC#N)CC1 1205203677 PWBPSFPOQSQWMF-UHFFFAOYSA-N 247.342 0.998 30 20 BCED C#C[C@@H](NC(=O)CN(C)C(=O)C1CC1)C(C)C 799046609 JARORIQZEUKMIN-LLVKDONJSA-N 236.315 0.629 30 20 BCED Cc1nonc1CC(=O)Nc1n[nH]c(C)c1C#N 1147690849 GYYRJSVJQKTAKZ-UHFFFAOYSA-N 246.230 0.462 30 20 BCED C#CCN1C[C@@H](NC(=O)c2cscn2)[C@H](C)C1 1079487683 MRJRMRWWDBULQY-NXEZZACHSA-N 249.339 0.826 30 20 BCED CC[C@@H](OC)C(=O)N1CC[C@@H](N(C)CC#N)C1 971186617 JUXQCHCABXTSBR-GHMZBOCLSA-N 239.319 0.468 30 20 BCED C=CCN(C(=O)NCCC(=O)O)[C@@H](C)COC 659406191 VBGRWBHCQTWJAH-VIFPVBQESA-N 244.291 0.694 30 20 BCED CC[C@@H](C#N)C(=O)NCCN(C)C(=O)OC 689571200 GDNICVQZWYUZRK-QMMMGPOBSA-N 227.264 0.351 30 20 BCED C=CCCS(=O)(=O)N1C[C@@H](C)[C@@](C)(CO)C1 660092554 RJAXOKQNIPFBCH-GHMZBOCLSA-N 247.360 0.843 30 20 BCED CC#CC[C@H](CO)NC(=O)C[C@@H](C)CC(=O)O 717721396 XTIUZFCWXNDVQZ-NXEZZACHSA-N 241.287 0.378 30 20 BCED CC#CC[C@@H](CO)NC(=O)C(F)(F)C(F)F 717721624 XYRCKEPLOILIFA-LURJTMIESA-N 241.184 0.777 30 20 BCED C=C(C)CN1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C 1071788710 JGZDMLQLGFAUQA-ZJUUUORDSA-N 239.319 0.017 30 20 BCED CC[C@H](C#N)C(=O)N(C)Cc1cn(C)nn1 690310700 HCCDXYDHKOMQDF-MRVPVSSYSA-N 221.264 0.323 30 20 BCED CCC(C#N)(CC)C(=O)NC[C@]1(O)CCOC1 599713617 LXTXEFKPNRNZAD-GFCCVEGCSA-N 240.303 0.584 30 20 BCED C[C@H]1CCN(CCOCCC#N)C[C@@H]1C(=O)O 693434743 NCTUFPFGOJSKNN-QWRGUYRKSA-N 240.303 0.959 30 20 BCED COc1ccc(CNCCO)cc1C#N 83729963 HHHUPDMKQQLPGX-UHFFFAOYSA-N 206.245 0.649 30 20 BCED CNC[C@H](C)C(=O)N1CCC[C@H](C#N)C1 693956098 OZPHGRZQKBQDOM-VHSXEESVSA-N 209.293 0.604 30 20 BCED C=CCN1CCC(COC)(C(=O)O)CC1 694087223 WHNRIGRASXWCRQ-UHFFFAOYSA-N 213.277 0.986 30 20 BCED C#CCC[C@H](O)CNC(=O)[C@@]1(C)CCCOC1 799072176 CVKJEQVUWZZZQA-AAEUAGOBSA-N 239.315 0.694 30 20 BCED C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1cnn(C)c1 987980882 FYHYPDQEFDDMBJ-GXSJLCMTSA-N 247.302 0.136 30 20 BCED C#CCN[C@H]1C[C@@H](CNC(=O)c2cc(C)no2)C1 1086024386 QFCCCORBZMPZPS-PHIMTYICSA-N 247.298 0.714 30 20 BCED C=CCNCCCNC(=O)[C@H](C1CC1)N(C)C 1159917087 UXKZIHSQTFQVGE-LBPRGKRZSA-N 239.363 0.609 30 20 BCED C=CCCNCCNC(=O)COCCC=C 1153091561 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20 BCED N#CCCOCCn1ccc(=O)c([N+](=O)[O-])c1 1330310817 OVLIHDQSYGLLBB-UHFFFAOYSA-N 237.215 0.687 30 20 BCED C[C@H](CC#N)NC[C@@H](O)COC1CCOCC1 1335899531 XTNGGOGLMUPOKM-GHMZBOCLSA-N 242.319 0.435 30 20 BCED CC#CC(=O)N1CC[C@@]2(CCOC2=O)C1 1336875311 OFAOAQSVFJLRBO-LLVKDONJSA-N 207.229 0.175 30 20 BCED C#CC(=O)NCc1cccc(C(=O)N(C)C)c1 1336655934 NSAJUSQRKQSZGQ-UHFFFAOYSA-N 230.267 0.638 30 20 BCED COCC#CC(=O)N1CCCCC[C@H]1CO 1335042439 GYTANNMOBHPXPV-NSHDSACASA-N 225.288 0.400 30 20 BCED C[C@@H](C#N)OCCn1cc(C[C@@H](C)O)nn1 1333537891 PLESRWRCZGGINT-BDAKNGLRSA-N 224.264 0.130 30 20 BCED CC#CCCNC(=O)C(=O)NCCCOCC 1340183347 LMOCCWDSUWQWRV-UHFFFAOYSA-N 240.303 0.059 30 20 BCED C#CCNCC(=O)N[C@H](C)CC(C)(C)OC 1340735057 JJZNXFYJDYAWFI-SNVBAGLBSA-N 226.320 0.529 30 20 BCED C[C@H](CC#N)N(C)C(=O)c1ccc(=O)n(C)c1 103441912 SNZDIORJFXBPAA-SECBINFHSA-N 233.271 0.759 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H]1C[C@H](N)C1(C)C 1340508424 NHHWOQXSJZFTNF-LAEOZQHASA-N 212.293 0.165 30 20 BCED C=C[C@@](C)(O)C(=O)N1C[C@@H](C)[C@H](CCN)C1 1342530660 QZYBRKNVVUGCGQ-CKYFFXLPSA-N 226.320 0.367 30 20 BCED N#CCn1cc(NC(=O)c2ncccn2)cn1 1262153193 UKLRASZTZIYLRN-UHFFFAOYSA-N 228.215 0.449 30 20 BCED CC[C@H](C#N)NC(=O)c1c(CO)noc1C 1349801471 STSWDONRYBZPKC-SSDOTTSWSA-N 223.232 0.507 30 20 BCED N#Cc1cc(C(=O)N[C@H]2C[C@@H](N)C2)co1 1342844074 RTDYARIKHNUIDY-OCAPTIKFSA-N 205.217 0.371 30 20 BCED COCC#CC(=O)N1CCOC[C@@H]1C1CCC1 1351035627 SZUBJLHKYRYGGT-GFCCVEGCSA-N 237.299 0.664 30 20 BCED C=C(C)CN(C)C(=O)C(=O)N(C)CCOCC 1351193319 VIXIBWHVMYEDSD-UHFFFAOYSA-N 242.319 0.516 30 20 BCED Cn1c(C#N)ccc1C(=O)NCCc1ncc[nH]1 1444201101 OUWHFYIMSXFSRP-UHFFFAOYSA-N 243.270 0.592 30 20 BCED C=C(CC)C(=O)N(CC)CC(=O)NCC 1520813842 SJYFZFNIGMFYOY-UHFFFAOYSA-N 212.293 0.937 30 20 BCED C=CC[C@H](C(=O)O)N1CC[C@H](O)[C@@H](F)C1 1602834812 DESJHIGCGPZJCO-YIZRAAEISA-N 217.240 0.420 30 20 BCED C=C[C@H](CO)NCc1ccc(-c2nn[nH]n2)o1 1602888350 OUTOKHDVJYPBFR-SSDOTTSWSA-N 235.247 0.096 30 20 BCED 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0.278 30 20 BCED CC(=O)Nc1ccccc1CC(=O)NO 1320954873 ZFCJEPWBWDVJBL-UHFFFAOYSA-N 208.217 0.693 30 20 BCED C=C[C@H](COC)NC(=O)[C@@H](O)Cc1ccccc1 1321086988 HIYDKLJLBHRSNQ-OLZOCXBDSA-N 249.310 0.907 30 20 BCED O=C(NCC#Cc1ccccc1)C(=O)N1CCC1 1321972797 MARZGEGLCJOTCA-UHFFFAOYSA-N 242.278 0.387 30 20 BCED Cc1cnc(CNS(=O)(=O)CCCC#N)o1 1322351261 KYSWDGYZFGRCFP-UHFFFAOYSA-N 243.288 0.706 30 20 BCED CN1CCC[C@H](N2CCN(CC#N)CC2)C1 1322864046 ZOJPTZHGPXTQDU-LBPRGKRZSA-N 222.336 0.222 30 20 BCED C#CCCCNC(=O)C(=O)N1CC[C@@H]1C(C)C 1323208430 NJQDNPXNXOUJAC-LLVKDONJSA-N 236.315 0.773 30 20 BCED C#CCN(Cc1cn(C)nn1)CC1CC1 1324763486 HDOMGJDOSQOVAN-UHFFFAOYSA-N 204.277 0.660 30 20 BCED C=C[C@H](COC)NC(=O)NC[C@@H](C)C[C@@H](C)O 1325635025 OXBLJJPJJLLQOH-HBNTYKKESA-N 244.335 0.894 30 20 BCED N#CCCCCCC(=O)N1CC[C@H](C(N)=O)C1 1326059114 WCDODCJDCNOQCG-JTQLQIEISA-N 237.303 0.794 30 20 BCED CCN(CCO)N=C(C)c1ccnc(C)n1 1326970970 NJAJSJMPOFOMKZ-UHFFFAOYSA-N 222.292 0.823 30 20 BCED C#C[C@H](C)NC(=O)N1CC[C@@](O)(C2CC2)C1 1328101529 RJDDZZPBKYFJSK-CABZTGNLSA-N 222.288 0.565 30 20 BCED C[C@@H](C(=O)NCCCCC#N)[C@H]1CCC(=O)N1 1329792824 MRCPAXHMIAEVLM-NXEZZACHSA-N 237.303 0.711 30 20 BCED Cc1[nH]c(C#N)cc1C(=O)N1CCN(C)[C@H](C)C1 1330573138 YLVSAOVFACPUPT-SECBINFHSA-N 246.314 0.971 30 20 BCED C#CCOCCN(C)C[C@@H]1CCO[C@@H]1C 1330653531 ATJQORJHCUCVOV-NEPJUHHUSA-N 211.305 0.993 30 20 BCED C#CCCCn1nnnc1N1O[C@H]2C=C[C@H]1CC2 1334116816 NTOIDZXKBTXWBZ-QWRGUYRKSA-N 245.286 0.925 30 20 BCED C=C(C)CN(C)c1nnnn1CCn1cccn1 1334852409 CLLGJKGJUIFZHF-UHFFFAOYSA-N 247.306 0.582 30 20 BCED C=CCCN(C)c1nnnn1CCOCC=C 1337241397 HFPXLDMUONHJRI-UHFFFAOYSA-N 237.307 0.888 30 20 BCED Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]2F)c1C#N 1338213259 GDRAAEKEEGDXQG-HTRCEHHLSA-N 222.223 0.897 30 20 BCED C=C(C)Cn1nnnc1N(CCO)C1CC1 1340221285 KVQQJOGYOKXHAR-UHFFFAOYSA-N 223.280 0.210 30 20 BCED C#C[C@@H](CC)OC(=O)c1ccc(C(N)=O)nc1 1343350128 ITIFDKBOISWQQT-VIFPVBQESA-N 232.239 0.749 30 20 BCED CC(C)(C#N)CC(=O)OC[C@@H]1CCNC(=O)C1 1345052812 WVOLFHBZHFWJBI-SECBINFHSA-N 238.287 0.996 30 20 BCED C=C(CC)C(=O)N[C@H]1CCCN(CC(N)=O)C1 1346434007 YRYOHLQNJDIUQW-JTQLQIEISA-N 239.319 0.019 30 20 BCED C=C(CC)C(=O)N[C@@H](CO)c1cnn(C)c1 1347083357 XAXOVDUMMRGYPB-JTQLQIEISA-N 223.276 0.536 30 20 BCED N#CC[C@@]1(O)CCN(Cc2nnc(C3CC3)o2)C1 1349108291 JFRHMAJKPVGHIO-GFCCVEGCSA-N 248.286 0.797 30 20 BCED C=C(CN(C)C)C(=O)NCCC(F)F 1349790279 MQZZYMWPRSCUDR-UHFFFAOYSA-N 206.236 0.876 30 20 BCED C#C[C@@H](C)NC(=O)NCC1CC(OC)(OC)C1 1353527522 VZTGKSJVBBUMPB-SECBINFHSA-N 240.303 0.706 30 20 BCED C#CCNCC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 1357544238 GMNSBVOQLSEHKK-NWDGAFQWSA-N 238.331 0.529 30 20 BCED C[C@@H](C#N)C(=O)NC[C@H]1CCCS(=O)(=O)C1 1450649426 VKGGTUSKSYEADQ-DTWKUNHWSA-N 244.316 0.087 30 20 BCED N#CC1(NC(=O)c2cnn(CCO)c2)CCCC1 1519363407 QWYUPVQDDFVEPI-UHFFFAOYSA-N 248.286 0.442 30 20 BCED Cn1cc(C#N)cc1C(=O)OC[C@H]1COC(=O)N1 1548591147 IZIWOEYWFQFRPV-QMMMGPOBSA-N 249.226 0.162 30 20 BCED C=C(C)CCNC(=O)C1(C2(O)CNC2)CCC1 1574836471 ZDXDZGCYRVBVKZ-UHFFFAOYSA-N 238.331 0.573 30 20 BCED CCCCN(O)C(=O)CNC[C@@H]1CCCO1 1577458156 XELPBGIEOXRLPG-JTQLQIEISA-N 230.308 0.773 30 20 BCED COCc1nccc(N[C@H]2CNC[C@H]2C#N)n1 1579104956 JIWWQEWRAACIPJ-BDAKNGLRSA-N 233.275 0.146 30 20 BCED N#CC1(CNC(=O)N[C@H]2C[C@@H](N)C2)CCC1 1580038458 MFXKEBOXKOKQHR-DTORHVGOSA-N 222.292 0.469 30 20 BCED N#CCCCC(=O)NC[C@H]1CC[C@@H](N)C1 1580047566 KXDQHTQFIGULQX-VHSXEESVSA-N 209.293 0.924 30 20 BCED N#Cc1ccc(CNC(=O)OC2CNC2)nc1 1580065695 OTYPGYJWRRYKNM-UHFFFAOYSA-N 232.243 0.151 30 20 BCED C#C[C@H](C)NC(=O)c1cscc1-c1nn[nH]n1 1588325976 ASOOQEXYKDNXNV-LURJTMIESA-N 247.283 0.680 30 20 BCED C#CCN(CC(=O)O)C(=O)[C@@H](C#N)CC 1588397912 YJEIGJHPBDTODX-MRVPVSSYSA-N 208.217 0.083 30 20 BCED C=C(C)C[C@H](CO)NC(=O)[C@H]1C[C@H]1C(=O)O 1588536787 FAIGTMZMLMBBKN-HRDYMLBCSA-N 227.260 0.150 30 20 BCED C=C(C)CCC(=O)NC[C@H](F)C(=O)O 1588554488 IDRLKMWOFUIWHA-ZETCQYMHSA-N 203.213 0.882 30 20 BCED C=CC[C@H](C(=O)O)N1C[C@@H]2CN(C)C[C@]2(C)C1 1588732253 XQNFUZGBLVEKJR-DMDPSCGWSA-N 238.331 0.899 30 20 BCED C=CC[C@H](OC(=O)COCCC)C(=O)O 1588753572 JVIYIICZSJYVOK-QMMMGPOBSA-N 216.233 0.986 30 20 BCED C=CCNC(=O)CN[C@@H]1CCC[C@H]1C(=O)O 1588844837 WSGMQCZCCXSMBO-RKDXNWHRSA-N 226.276 0.132 30 20 BCED C[C@@]1(C#N)CN(C(=O)CCCC(=O)O)CCO1 1589181450 IQLYLACJLPSWSL-LLVKDONJSA-N 240.259 0.382 30 20 BCED CC(C)(C)OCC(=O)N(CC#N)CCC(=O)O 1590378373 RDBGOVCYUZEASR-UHFFFAOYSA-N 242.275 0.628 30 20 BCED C/N=C(/NC)NC[C@@H](C(=O)O)C1CCC1 1593788812 ZAPMGILJAXSBML-MRVPVSSYSA-N 213.281 0.282 30 20 BCED N#CCN(CCC(=O)O)C(=O)[C@H]1CCCCO1 1601071101 RXOPGFFRJFPYID-SECBINFHSA-N 240.259 0.382 30 20 BCED N#Cc1ccc([C@@H](OC(=O)CO)C(=O)O)cc1 1601096026 KVGPEMPSGOXDOV-SNVBAGLBSA-N 235.195 0.219 30 20 BCED C#CCN(CC#N)C(=O)[C@@H](C(=O)O)C(C)(C)C 1602678487 ABPLCKLBPIOCFF-VIFPVBQESA-N 236.271 0.719 30 20 BCED C=C(C)CNC(=O)[C@@](C)(OC)C(=O)O 1602710421 VTUZKMSKLYAVHP-SECBINFHSA-N 201.222 0.168 30 20 BCED C=C(CCC(=O)O)C(=O)NC[C@H]1C[C@H](OC)C1 1602784572 VXIVYYPDDUMVDD-MGCOHNPYSA-N 241.287 0.949 30 20 BCED C=C(CO)C(=O)N[C@@H](C(=O)O)C1CCCCC1 1602788332 HAMGHYWTQCWNJU-SNVBAGLBSA-N 241.287 0.685 30 20 BCED C=C[C@H](COC)NC(=O)c1cc(C(=O)O)co1 1602816197 KDXJHCFRKPITAH-MRVPVSSYSA-N 239.227 0.909 30 20 BCED C/C(=C/CNS(=O)(=O)CCCC#N)C(=O)O 1602976339 VKEWUJQNXIVGKJ-YWEYNIOJSA-N 246.288 0.240 30 20 BCED CO[C@H](C(=O)O)C(=O)Nc1cc(C#N)cc(C)n1 1604434738 MEYKZTOZHXLDPD-VIFPVBQESA-N 249.226 0.300 30 20 BCED N#CCN(CC(=O)O)C(=O)CSC(F)F 1608184296 UIMQSMRFQWROMO-UHFFFAOYSA-N 238.215 0.379 30 20 BCED C=C[C@H](O)C(=O)OCC1(CC(=O)O)CC1 1609287342 MIKAYWGMITZQTH-ZETCQYMHSA-N 214.217 0.331 30 20 BCED CSCCn1c(C)nc(-c2nn[nH]n2)c1C#N 1609371314 HNQZTGNZOFDRNA-UHFFFAOYSA-N 249.303 0.606 30 20 BCED C[C@@](C#N)(CC(=O)O)C(=O)Nc1cnccn1 1609692898 CQHAOZSTBZWVPJ-JTQLQIEISA-N 234.215 0.420 30 20 BCED Cc1cnc(CCNC(=O)[C@H](C)C#N)cn1 1637477121 GVZLJGHWRJQHER-MRVPVSSYSA-N 218.260 0.603 30 20 BCED N#CCC(=O)Nc1cccc2c1CCNC2=O 1637979691 NEDMSLXUQMDOEU-UHFFFAOYSA-N 229.239 0.825 30 20 BCED C=C(Cl)CN[C@H]1C[C@H](CNC(=O)COC)C1 1656179073 MWYUKZHVTGGSGM-MGCOHNPYSA-N 246.738 0.870 30 20 BCED CCS(=O)(=O)NCC1(C#N)CCOCC1 1664778707 XNUHGAFWUJXJLG-UHFFFAOYSA-N 232.305 0.246 30 20 BCED CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(C)=O 1721457790 JXSSRZQHGITELM-JTQLQIEISA-N 248.286 0.531 30 20 BCED C#CCCNC[C@@H](NC(=O)[C@@H](C)C#N)C1CC1 1754436141 QMJHFKABHXDXJH-CMPLNLGQSA-N 233.315 0.654 30 20 BCED C[C@@H](NCC#N)[C@H]1CCN(C(=O)C#CC2CC2)C1 1754790729 IMGCCZOBXIOTMA-YPMHNXCESA-N 245.326 0.750 30 20 BCED C#CCN(C)[C@H](C)CNC(=O)c1cncnc1C 1755291362 AXWSOGHDAXEFOR-SNVBAGLBSA-N 246.314 0.468 30 20 BCED O=C(O)c1cccc2c(C=NNCCO)c[nH]c12 1776065646 TXDIAAFJSPOGQT-UHFFFAOYSA-N 247.254 0.782 30 20 BCED C#CCOC1CCN([C@H](CC)C(=O)O)CC1 1776135254 RHHAVBPXMQLLHM-LLVKDONJSA-N 225.288 0.964 30 20 BCED C(#CCN1CCCC1)CO[C@@H]1CCCNC1 1898225692 OVPMZDICYNNDTI-CYBMUJFWSA-N 222.332 0.854 30 20 BCED C#CCOCCN1CCN(C)C[C@@H]1C(C)C 852089425 NQDPKIFATKINAM-CYBMUJFWSA-N 224.348 0.908 30 20 BCED CC[C@@H](Nc1cc(C#N)nc(C)n1)C(N)=O 308399993 GMRFVEIAJTUAPV-MRVPVSSYSA-N 219.248 0.333 30 20 BCED C#CC(=O)N1CCC[C@H](OCCOC)C1 801313800 SQPYTYGOZDMTFY-JTQLQIEISA-N 211.261 0.274 30 20 BCED CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1C(=O)OC 170760354 CQJVSAOFMGRIQQ-CSMHCCOUSA-N 210.233 0.214 30 20 BCED COc1c(C(=O)N(C)CCC#N)c(C)nn1C 112277826 IVWQFYWFIPXAKR-UHFFFAOYSA-N 236.275 0.723 30 20 BCED CN(CCNC(=O)C(C)(C)C#N)C1CC1 59490857 ZQZFANXVFDWTCB-UHFFFAOYSA-N 209.293 0.747 30 20 BCED CC[C@@H](CC#N)NC(=O)c1ccnn1C 61665479 NKWAGWBNEHNEPW-QMMMGPOBSA-N 206.249 0.842 30 20 BCED COC[C@@](C)(C#N)NC(=O)c1ccnc(O)c1 1340749870 BWCZEYFLONTZIR-LLVKDONJSA-N 235.243 0.446 30 20 BCED CCOC(=O)CCC/N=C(\N)N(C)C1CC1 305796498 ARGMJGDGNJIDSZ-UHFFFAOYSA-N 227.308 0.739 30 20 BCED C=C(Br)CNC(=O)[C@H]1CCN(C)C1 307669742 STVWPNXQLAKJRU-QMMMGPOBSA-N 247.136 0.963 30 20 BCED Cc1nccnc1C(=O)N1CCOC[C@@H]1C#N 1328880936 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248.330 0.888 30 20 BCED C#CC[C@H](CO)NCc1cccnc1N(C)C 1336934323 KOFGKOINTJPOCQ-GFCCVEGCSA-N 233.315 0.621 30 20 BCED C#C[C@H](C)N(C)c1ccc(S(N)(=O)=O)cc1 1336620530 CAAJSPKBTCUORP-VIFPVBQESA-N 238.312 0.792 30 20 BCED C#CCN1C[C@@H]2CCN(C(=O)CCN(C)C)[C@@H]2C1 1189035482 ZPDXNTNOMIDTGR-QWHCGFSZSA-N 249.358 0.104 30 20 BCED C=C(C)Cn1nnnc1N(CC)CC#N 1333673239 CPHQQOKCBZVPEL-UHFFFAOYSA-N 206.253 0.599 30 20 BCED C=C[C@H](COC)NC(=O)[C@@H]1CCc2c[nH]nc2C1 1255037044 ZBMCMOZNAOMXAF-MWLCHTKSSA-N 249.314 0.832 30 20 BCED C=CCN(CCC#N)c1nnnn1CC=C 1332488170 FIZKJXUTZIFEOB-UHFFFAOYSA-N 218.264 0.765 30 20 BCED C=CCCC[C@H](N)C(=O)N1CC[C@@H](CCN)C1 1341873098 QLAQLIOKXNBVFH-NEPJUHHUSA-N 239.363 0.867 30 20 BCED C=C[C@](C)(O)C(=O)Nc1ccc(NC)nc1 1341778352 QRUNHWSFXJGRDC-NSHDSACASA-N 221.260 0.999 30 20 BCED N#CC1(CNC(=O)CCn2cncn2)CC1 1344476666 SGDGRBUJTMSAHZ-UHFFFAOYSA-N 219.248 0.088 30 20 BCED C#CCOCCN(C)C(=O)CN(CC)C1CC1 1347674106 WRNLNIXMPYXALV-UHFFFAOYSA-N 238.331 0.579 30 20 BCED N#CCC1CCN(C(=O)C[C@H]2CC(=O)N2)CC1 1261737562 RUALCLWZSNKHSF-SNVBAGLBSA-N 235.287 0.417 30 20 BCED C#CCNCC(=O)N(C(C)C)C1CCC1 1340093956 PILUPGZIDUUBDN-UHFFFAOYSA-N 208.305 0.999 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCC(=O)NC1 1346059482 DMRROCRPZJGBSY-BBBLOLIVSA-N 239.271 0.399 30 20 BCED Cn1cc([C@@H]2CCCN2CC(=O)NCC#N)cn1 108862721 MKYGXFYTSWQASX-NSHDSACASA-N 247.302 0.197 30 20 BCED C#CC1CCN(c2nnnn2CCCOC)CC1 1352156960 AUBPRQGTDYRWCP-UHFFFAOYSA-N 249.318 0.559 30 20 BCED CC(=O)c1cn(CC(=O)OC2(C#N)CCC2)nn1 1517210338 KVICKJOCGWRZMF-UHFFFAOYSA-N 248.242 0.470 30 20 BCED C=CCNC(=O)[C@H](C#N)C(=O)c1ocnc1CC 1515371105 KNWHZENKAPTUAB-MRVPVSSYSA-N 247.254 0.862 30 20 BCED N#CCCCC(=O)OC[C@@H]1CCCNC1=O 1515336339 RFRBRLMAEWUSPE-VIFPVBQESA-N 224.260 0.750 30 20 BCED CNC(=O)[C@H]1CCCN(CCCC#N)C1 111268241 UKAAROLVOFRNAC-JTQLQIEISA-N 209.293 0.748 30 20 BCED C#CCSCC(=O)OCCc1nncn1C 1524788519 RGXRZROVOAMOCM-UHFFFAOYSA-N 239.300 0.267 30 20 BCED C#CCN(C)c1nnnn1[C@H]1CC[C@@H](C(=O)O)C1 1602714008 YULZTEDTJQTKQQ-BDAKNGLRSA-N 249.274 0.168 30 20 BCED N#CCCN[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1608184905 ZLWUMFOXODBHNW-RGOKHQFPSA-N 208.261 0.989 30 20 BCED C=C[C@@H](O)C(=O)OCc1cncc(C(=O)O)c1 1602820173 DMGGHHOVFPJVBF-SECBINFHSA-N 237.211 0.370 30 20 BCED Cn1c(C#N)ccc1C(=O)N[C@@H](C(=O)O)C1CC1 1608081390 ZQLFLQJOLZSSHZ-SNVBAGLBSA-N 247.254 0.490 30 20 BCED CN1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1606245738 TZSBSODAPNUQJI-UHFFFAOYSA-N 246.270 0.403 30 20 BCED C=C(CCC(=O)O)C(=O)NOCCCOC 1602784368 RDRHUSYMDWRCPY-UHFFFAOYSA-N 231.248 0.492 30 20 BCED N#CCOc1ccccc1C(=O)OCC(=O)O 1608187130 OKZCOEFNFBKRGL-UHFFFAOYSA-N 235.195 0.830 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)C(=O)O 1609626364 YNWXDJGESANBOY-AEJSXWLSSA-N 241.287 0.805 30 20 BCED N#CC1CCC(CNC(=O)CC(=O)O)CC1 1601057991 GMPNVONYVVZYRW-UHFFFAOYSA-N 224.260 0.907 30 20 BCED Cc1c(C(=O)OCC(=O)O)cnn1CCC#N 1600006359 INNBCAFWXZKVAP-UHFFFAOYSA-N 237.215 0.347 30 20 BCED C[C@H](CC(N)=O)C(=O)N(C)C1(C#N)CCC1 1544209531 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SFDCBVREMQYYCM-LBPRGKRZSA-N 226.320 0.526 30 20 BCED C#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCCC 1754420393 IYCAUZKCXRRGPY-MDZLAQPJSA-N 220.316 0.999 30 20 BCED CCN(CC#N)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1596200388 ZFCSTTLUUINEHT-IWSPIJDZSA-N 240.259 0.237 30 20 BCED CN(C(=O)[C@H]1C[C@H]1C(=O)O)[C@H]1CCC[C@@H]1C#N 1598073394 RYIBCLXXCACFRC-RGOKHQFPSA-N 236.271 0.858 30 20 BCED C=C[C@@H](O)C(=O)NCc1ccc(C(=O)O)cc1 1776149759 WSPOOXLQYNQXKE-SNVBAGLBSA-N 235.239 0.548 30 20 BCED C[C@H](CC#N)N(C)Cc1cc(=O)n2nccc2[nH]1 161717733 WWPYYVYYXIIJGK-SECBINFHSA-N 245.286 0.757 30 20 BCED CO[C@H](C)C(=O)NC1(C#N)CCSCC1 162300615 SNDHQZAUZPMYKO-MRVPVSSYSA-N 228.317 0.927 30 20 BCED COC(=O)C1(NC(=O)CC#N)CCCCC1 153629197 KZVCSLZSXOAOLP-UHFFFAOYSA-N 224.260 0.892 30 20 BCED COCCN(C)C(=O)c1ccc(C#N)[nH]1 159958302 WGCDNHHMQBJPSS-UHFFFAOYSA-N 207.233 0.605 30 20 BCED C#CCN1CC[C@H](NC(=O)c2ccncc2C)C1 1010869562 MHVIFEHQEWYXQY-LBPRGKRZSA-N 243.310 0.827 30 20 BCED C=CCN1CC[C@@H](NC(=O)C2CC(OC)C2)C1 1014856739 PJDBJHYEUOVHDK-MOENNCHZSA-N 238.331 0.788 30 20 BCED C#CCN[C@H]1CCN(C(=O)c2ccccn2)C1 1018404398 FILUFCBQLICWHW-NSHDSACASA-N 229.283 0.519 30 20 BCED C=CCN1CC[C@@H](CNC(=O)c2ncccn2)C1 1028879301 HVOGFBVPOFUQJR-NSHDSACASA-N 246.314 0.714 30 20 BCED CC#CCN1CC[C@@H](CNC(=O)c2cnon2)C1 1028883206 NBDKRPPPGKCMEZ-JTQLQIEISA-N 248.286 0.145 30 20 BCED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnon1)C2 1029522207 MRWVMENSYHCUCM-UWVGGRQHSA-N 248.286 0.544 30 20 BCED C=C(C)CN1CC(NC(=O)Cn2cncc2C)C1 1030682833 ADZQZEIKEHNTAN-UHFFFAOYSA-N 248.330 0.568 30 20 BCED C#CCN1CC(CNC(=O)[C@@H]2CCO[C@H]2C)C1 1032076862 SWGMNYNOAIGYPK-CMPLNLGQSA-N 236.315 0.093 30 20 BCED C=CCN(CC(=O)O)C(=O)c1cnc(C)n1C 909516946 USNVJDDYCIANIH-UHFFFAOYSA-N 237.259 0.441 30 20 BCED CC#CCN1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 1044029325 FMNSXBYXIQNZAJ-UHFFFAOYSA-N 246.314 0.498 30 20 BCED C#Cc1cccc(CNCCC(N)=O)c1 819356528 FYHZHEHUXRVHES-UHFFFAOYSA-N 202.257 0.633 30 20 BCED C=CC1CCN(C(=O)CNCCOC)CC1 237146496 XAHYRQZOCGGTTR-UHFFFAOYSA-N 226.320 0.647 30 20 BCED C#CCN(C(=O)c1cn(C)nn1)C1CC1 290013227 SIKUGMFATXXAEI-UHFFFAOYSA-N 204.233 0.053 30 20 BCED N#Cc1ccnc(N2CCC(N)CC2)c1 36754912 WXHZIGBAVDQSIU-UHFFFAOYSA-N 202.261 0.881 30 20 BCED CS(=O)(=O)CCN(CCCC#N)C1CC1 156693401 KTQXWLQBBTXHDW-UHFFFAOYSA-N 230.333 0.799 30 20 BCED CO[C@@H]1C[C@@H](/N=C(\N)N2CCOCC2)C1(C)C 262692205 CMDFHCZMCSGGNH-NXEZZACHSA-N 241.335 0.447 30 20 BCED CC[C@H](CCO)Nc1cc(C#N)ncn1 308812057 OBKPLSBECRZMEB-MRVPVSSYSA-N 206.249 0.921 30 20 BCED C[C@H](C#N)C(=O)N1CC[C@H](O)C(C)(C)C1 308852960 HPKIPIASFGCOLJ-BDAKNGLRSA-N 210.277 0.765 30 20 BCED CC(C)[C@H](O)CNc1ncncc1C#N 308973995 QFGYGNMWXHYIOL-SECBINFHSA-N 206.249 0.777 30 20 BCED CCN(CCCO)c1ccnc(C#N)n1 309015568 QVZRYQXJDPSYEW-UHFFFAOYSA-N 206.249 0.557 30 20 BCED C#CCNC(=O)CN[C@H]1CCCC1(C)C 309154921 XFCJCYPHQJZUIS-JTQLQIEISA-N 208.305 0.904 30 20 BCED N#Cc1cc(NC[C@@H](CO)C2CC2)ncn1 309580536 QENSUJIFCSFLRN-VIFPVBQESA-N 218.260 0.779 30 20 BCED CN1CCN(CCCC(C)(C)C#N)[C@H](CO)C1 602904820 OQFNRNLEBQLNDR-LBPRGKRZSA-N 239.363 0.925 30 20 BCED C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H]1O 351499303 ABOZQICCSCBLKF-OIBJUYFYSA-N 248.242 0.678 30 20 BCED CCC(C#N)(CC)C(=O)N[C@@H]1COC[C@@H]1O 323316347 RBGDJVMXMXSBKW-BDAKNGLRSA-N 226.276 0.192 30 20 BCED CC(=O)N1CCC[C@@H](C(=O)NC2(C#N)CC2)C1 701322803 FQARNKNDCJVJBS-SNVBAGLBSA-N 235.287 0.417 30 20 BCED O=C(C/N=C(/O)[C@@H]1CCc2nn[nH]c2C1)C1CC1 328777641 LORISNSQGLEUDN-MRVPVSSYSA-N 248.286 0.845 30 20 BCED COCCC/N=C(/O)N[C@@H]1CCCC[C@@H]1O 330456997 PYEPAVKGFDAWLC-ZJUUUORDSA-N 230.308 0.830 30 20 BCED C=CC[C@H](CO)CNC(=O)[C@H]1CC[C@H](C)O1 330698453 GNDJWBSIOUCJFN-GARJFASQSA-N 227.304 0.855 30 20 BCED C=CC[C@H](CO)CNC(=O)[C@@H]1CC[C@H](C)O1 330698450 GNDJWBSIOUCJFN-DCAQKATOSA-N 227.304 0.855 30 20 BCED C[C@H](CC#N)N(C)C(=O)Cc1cc[nH]n1 330886858 GUVQMHLJFAXFSW-MRVPVSSYSA-N 206.249 0.713 30 20 BCED CN1C[C@H](C(=O)N(CCC#N)CC2CC2)CC1=O 331883036 LHDXIDVBLSWYBV-LLVKDONJSA-N 249.314 0.617 30 20 BCED C=CCOC[C@H](N[C@H](C)COC)C(=O)OC 336767255 PQFSEHYTDZLRIL-ZJUUUORDSA-N 231.292 0.355 30 20 BCED Cc1nn(C)cc1CN1CCN(CC#N)CC1 92936090 BUUOMSKFOJRPNT-UHFFFAOYSA-N 233.319 0.370 30 20 BCED COC(=O)[C@H]1CCCN1CC1(C#N)CC1 343319789 JRLVNCBFRPAAFD-SECBINFHSA-N 208.261 0.928 30 20 BCED C=CCC1(NS(=O)(=O)NC)CCCC1 657188422 BZMBQOUGSYXMQM-UHFFFAOYSA-N 218.322 0.929 30 20 BCED C=C[C@@H](CO)NC(=O)Cc1cccnc1 356854483 KYDSETAMPMSSNM-JTQLQIEISA-N 206.245 0.287 30 20 BCED COCC#CCN1CCS(=O)(=O)[C@@H](C)[C@H]1C 677816864 BTHAFKOUEBNXPD-MNOVXSKESA-N 245.344 0.144 30 20 BCED C#CCN(C(=O)c1ccc(=O)n(C)n1)C(C)C 688892550 JBOYFFCBBKFEEV-UHFFFAOYSA-N 233.271 0.264 30 20 BCED C#CCN(C)C(=O)c1cn2c(n1)CCCC2 491646060 RBBKUCRSGGVHPJ-UHFFFAOYSA-N 217.272 0.925 30 20 BCED C#C[C@@H](CCC)NC(=O)[C@@H]1CC(=O)N(CC)C1 491618171 AQGHUJROMXEZLM-MNOVXSKESA-N 236.315 0.773 30 20 BCED N#CC1CN(C(=O)C[C@@H]2CCCCO2)C1 590483483 KZPLOLKBMLHPGA-JTQLQIEISA-N 208.261 0.928 30 20 BCED CC[C@H](C#N)OC(=O)c1nccnc1N 379781973 GJUWYHOMCFGGSZ-ZCFIWIBFSA-N 206.205 0.518 30 20 BCED C=CCC1(O)CN(C(=O)[C@H]2CC23CC3)C1 720860691 DMTKJDSTPFVWNY-SECBINFHSA-N 207.273 0.936 30 20 BCED Cc1ncc(C(=O)N(C)CCC#N)n1C 900356371 IEAPOXMGIXCQDE-UHFFFAOYSA-N 206.249 0.714 30 20 BCED CN(C)C(=O)CCCN=c1cc[nH]c(C#N)n1 390363788 RSWHMQIJRKFAGD-UHFFFAOYSA-N 233.275 0.050 30 20 BCED C#CCOCCN1C[C@H]2[C@H](N(C)C)[C@H]2C1 931280544 HABSLSUTSZYSNI-GDNZZTSVSA-N 208.305 0.128 30 20 BCED C[C@@H](C#N)C(=O)NCCc1ccc(O)c(O)c1 762262370 YDMPTFMLDPWUFG-QMMMGPOBSA-N 234.255 0.916 30 20 BCED N#Cc1nccnc1NCCO[C@@H]1CCOC1 896477376 DYQHLUZNAMIGLW-SECBINFHSA-N 234.259 0.566 30 20 BCED O=C(NCC#Cc1ccccc1)[C@@H]1NC[C@@H]2C[C@@H]21 1580624980 ABAXWLZMFACKIS-MELADBBJSA-N 240.306 0.762 30 20 BCED CCc1nc(C#N)cc(N[C@@H]2COC[C@H]2OC)n1 596289183 XIAKPTIJPYEVQD-NXEZZACHSA-N 248.286 0.736 30 20 BCED COC(=O)CCCCn1cnc(C#N)n1 600516156 CZFOUKGSUAFILD-UHFFFAOYSA-N 208.221 0.493 30 20 BCED CCNC(=O)[C@H](C)NC(=O)c1ccc(C#N)cc1 7643511 SZBYFXOUNIHPIS-VIFPVBQESA-N 245.282 0.813 30 20 BCED C[C@@H](C(=O)NC1CC1)N1CCC(C#N)CC1 57879752 OXFYBIXBNVBZLR-VIFPVBQESA-N 221.304 0.889 30 20 BCED CN(C)[C@@H]1CCCN(c2cc(C#N)ncn2)C1 310356606 ILBPGDUPLJQFFI-LLVKDONJSA-N 231.303 0.879 30 20 BCED CN(C)C1CCN(c2ccnc(C#N)n2)CC1 310458371 ZXWMIUYIWJWLDG-UHFFFAOYSA-N 231.303 0.879 30 20 BCED CC[C@@H](C(=O)N[C@@H](C)C#N)N1CCCC1=O 174323184 HLOXVARDSOAYAL-IUCAKERBSA-N 223.276 0.416 30 20 BCED CC(=O)N1CCN(CCCCC#N)CC1 42221918 SBIVATGCQRTBNO-UHFFFAOYSA-N 209.293 0.844 30 20 BCED CN(C)CC(=O)NCC1CCC(C#N)CC1 408427982 AWWAFBCIQOJEQP-UHFFFAOYSA-N 223.320 0.994 30 20 BCED C#CCN(CC1CC1)C(=O)c1cc[nH]c(=O)c1 229137451 YKTDDKILIDXIMY-UHFFFAOYSA-N 230.267 0.860 30 20 BCED CCC/C(N)=N/OCC(=O)N(CC)CC 177591023 NRBOFESIULOJFD-UHFFFAOYSA-N 215.297 0.944 30 20 BCED C[C@H](Sc1cc(C#N)cnn1)C(=O)O 307128625 XCLVPKDODZEVLG-YFKPBYRVSA-N 209.230 0.913 30 20 BCED C=C(C)CN/C(N)=N/CCNC(C)(C)C 304759516 RHGBAUQGMWQZQR-UHFFFAOYSA-N 212.341 0.855 30 20 BCED C=CCCn1cc(C2(O)CCOCC2)nn1 849144800 KEHONTIZSOVNCZ-UHFFFAOYSA-N 223.276 0.852 30 20 BCED COc1ccc(NCC(=O)NCC#N)cc1F 37290721 XAGWRCWNYARJHB-UHFFFAOYSA-N 237.234 0.886 30 20 BCED N#Cc1ncccc1NCC(=O)NC1CC1 124152380 RPPIOTGHNUYSCG-UHFFFAOYSA-N 216.244 0.644 30 20 BCED C[C@H](CCCO)NS(=O)(=O)CC1(C#N)CC1 361822302 GGTIIUZPMLWEAG-SECBINFHSA-N 246.332 0.371 30 20 BCED CC#CCNC(=O)[C@@H](C(C)C)N1CCCC1=O 121147083 JVBPVVSGCHRCME-GFCCVEGCSA-N 236.315 0.773 30 20 BCED C#CCNC(=O)N1CCC(C(=O)O)CC1 36724152 BLLZOBOZWDQJJJ-UHFFFAOYSA-N 210.233 0.126 30 20 BCED C#CCOCCC(=O)Nc1cc(C)nn1C 120673645 MYRRKCCAOUPOAH-UHFFFAOYSA-N 221.260 0.707 30 20 BCED C#CCN(CC1CC1)C(=O)[C@H](C)S(C)(=O)=O 158729129 HHZXBZDXGBGEEL-VIFPVBQESA-N 243.328 0.291 30 20 BCED C#C[C@@H](C)N(C)C(=O)NCCCC(=O)OCC 491544451 LPGIMAJIBICZBU-SNVBAGLBSA-N 240.303 0.993 30 20 BCED C=C(C)CCNC(=O)NC[C@H](N)C1CC1 418253642 ZGZQLCCEMVRMTL-JTQLQIEISA-N 211.309 0.989 30 20 BCED C=CC1CCN(C[C@H](O)COCCOC)CC1 450384553 BNLIZUJQNSQLBZ-ZDUSSCGKSA-N 243.347 0.908 30 20 BCED COc1ccc(C(=O)NCC#CCO)cc1 282888947 KIPJAHREHGLNHX-UHFFFAOYSA-N 219.240 0.421 30 20 BCED N#CCN1c2ccccc2N(CC#N)S1(=O)=O 71857766 XDIFFBQWAZNDDL-UHFFFAOYSA-N 248.267 0.605 30 20 BCED CN1CC[C@H](Nc2ccc(C#N)cn2)C1=O 78020989 KJBYWIFAKKURBK-VIFPVBQESA-N 216.244 0.596 30 20 BCED C[C@H](C#N)CN(C)C[C@H](O)CN(C)C1CC1 336647105 FFVLDRKKBSUALC-PWSUYJOCSA-N 225.336 0.533 30 20 BCED CCn1cc(C#N)c(=O)n(CC[C@@H](C)F)c1=O 505699310 HRGXAVXYMSNQAX-MRVPVSSYSA-N 239.250 0.650 30 20 BCED C[C@@H](/C(O)=N/C1CC1)N(C)[C@@H]1COC[C@H]1O 329191041 RGUFTLLQYGFOKX-FXBDTBDDSA-N 228.292 0.185 30 20 BCED C#CCCCC(=O)N(C)CCS(C)(=O)=O 192044516 HNGBGZVGXYJTNC-UHFFFAOYSA-N 231.317 0.293 30 20 BCED C#CCNCC(=O)N[C@H]1CCCC[C@H]1C 88362452 ADONCLVDTRDRPC-MNOVXSKESA-N 208.305 0.904 30 20 BCED C=C[C@@H](CO)NC(=O)c1oc(CO)cc1C 426859855 UCNDKMRKICFOOH-QMMMGPOBSA-N 225.244 0.357 30 20 BCED COC[C@@](C)(O)C(=O)NCC#Cc1ccccc1 86533061 DSMLHXWAOREPER-CQSZACIVSA-N 247.294 0.552 30 20 BCED CNC(=O)CN(C)c1snc(Cl)c1C#N 47405340 VXZPEOLNWWRYRN-UHFFFAOYSA-N 244.707 0.850 30 20 BCED O/C(=N/CCN1CCC1)N[C@H]1CCCOC1 328735348 YYVDYTINYCWISS-JTQLQIEISA-N 227.308 0.375 30 20 BCED N#Cc1ccnc(N(CCO)CCCO)c1 288520402 TYCGCQRBYUBZFR-UHFFFAOYSA-N 221.260 0.134 30 20 BCED C#CCN(CCn1ccnc1C)CC(=O)O 86140757 NWBJSSCIQVBKGG-UHFFFAOYSA-N 221.260 0.211 30 20 BCED N#Cc1cc(C(=O)N[C@@H](CO)CC(F)F)c[nH]1 428692230 PBGQSYDHHFJKPL-MRVPVSSYSA-N 243.213 0.632 30 20 BCED N#CCN(C(=O)[C@H]1CC[C@@H](C(=N)O)O1)C1CC1 331431396 CYBAFLTVTWPZBT-DTWKUNHWSA-N 237.259 0.584 30 20 BCED C#CCCCC(=O)N(CCOC)CC(=O)OC 192311526 WKYNMFJOFVKHTE-UHFFFAOYSA-N 241.287 0.438 30 20 BCED C#CC[C@H](NC(=O)c1ccc(OC)nc1)C(=O)O 149861629 ZOPISULPWZLBBB-VIFPVBQESA-N 248.238 0.297 30 20 BCED Cc1noc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)n1 425487492 YSAYWQYYLGSEPA-DTWKUNHWSA-N 249.274 0.870 30 20 BCED CC[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)O 331296896 CUJCBCJTTBXVOI-IONNQARKSA-N 221.260 0.776 30 20 BCED C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)C1 330533772 CVILXXAWXHPLPE-JTQLQIEISA-N 244.298 1.234 30 20 BCED CC(C)(C#N)CNC(=O)N[C@H]1C[C@H](O)C1(C)C 334914177 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239.275 0.652 30 20 BCED CC[C@H](NC(C)=O)C(=O)OCCO[C@H](C)C#N 869676012 PEYQGTWBBDVFJA-SCZZXKLOSA-N 242.275 0.373 30 20 BCED CCN1CCOC[C@@H]1C(=O)O[C@H](C)C#N 769084394 IAELAGUIJIUGGT-RKDXNWHRSA-N 212.249 0.162 30 20 BCED C[C@@H](CN1CCC[C@@H](C#N)C1)S(C)(=O)=O 932153639 AOXZSDWXKAZREC-UWVGGRQHSA-N 230.333 0.655 30 20 BCED Cc1c[nH]cc1C(=O)N(C)[C@H]1CCN(CC#N)C1 1033655164 GVIPAXNWEGWPJD-NSHDSACASA-N 246.314 0.993 30 20 BCED C#CC[C@@H](CCOC)NCCS(C)(=O)=O 863589739 WKSHHEUUWVLFGU-JTQLQIEISA-N 233.333 0.049 30 20 BCED CCC(=O)N1[C@H]2CC[C@H]1CN(CC#N)CC2 1039316179 RPGOCWQNTJKWOM-QWRGUYRKSA-N 221.304 0.985 30 20 BCED Cc1[nH]nc(C(=O)NC[C@@H]2CCN2CC#N)c1C 1038113925 CQTRSQMUDQDNLU-JTQLQIEISA-N 247.302 0.354 30 20 BCED Cn1cc(C=NN=c2cc[nH]cc2)cn1 779807223 PNXNUVDALORWPM-UHFFFAOYSA-N 201.233 0.683 30 20 BCED N#C[C@@H]1COCCN1Cc1ccc(Cl)nn1 876741114 IVVMMUFVAOXMHA-SECBINFHSA-N 238.678 0.854 30 20 BCED C=C(CO)C(=O)NCc1cccc2c1OCCO2 1119921712 BKHQGSVYGHLGRF-UHFFFAOYSA-N 249.266 0.623 30 20 BCED C#C[C@H](NC(=O)NCCC)[C@H]1CCCO1 773129297 MJJROFCXCMJBJW-VHSXEESVSA-N 210.277 0.876 30 20 BCED C=CCN1C[C@@H]2C(NC(=O)C3(CF)CC3)[C@H]2C1 1114814062 BXFNHDIZMAZMCE-UWVGGRQHSA-N 238.306 0.969 30 20 BCED CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#N 1049257996 JFCHPABDESSXTP-QWRGUYRKSA-N 207.277 0.595 30 20 BCED C#CC[C@H](CO)NC(=O)Nc1cnc(CC)nc1 878992681 QQCJEJWGXIHZJK-SECBINFHSA-N 248.286 0.545 30 20 BCED CON=CC(=O)N1CCN(CC(C)C)CC1 773727735 NARZSPVIPXRNCU-UHFFFAOYSA-N 227.308 0.419 30 20 BCED C#C[C@H](NCC(=O)N1CCCC1)[C@@H]1CCCO1 775790870 RCQBKHDBYUKAQH-RYUDHWBXSA-N 236.315 0.379 30 20 BCED C#CCNCCNC(=O)[C@@H](C)n1cccc1 1125756286 HSOXMVVYTGRLLD-LLVKDONJSA-N 219.288 0.388 30 20 BCED C#C[C@@H](C)NC(=O)NCCOC[C@@H]1CCCO1 773591300 SSFRWWALPWXDGY-MNOVXSKESA-N 240.303 0.503 30 20 BCED C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C)C1 1047604836 RSFCRIJZTFOMFG-QWRGUYRKSA-N 240.347 0.722 30 20 BCED C#CC[C@@H](CO)NCc1c(C2CC2)cnn1C 883125745 SOIDUHSZTMBMPU-NSHDSACASA-N 233.315 0.771 30 20 BCED N#CCNCCNC(=O)[C@@H]1CCC[C@@H]1C(F)F 1129376023 RATDQDGTPNKZAT-DTWKUNHWSA-N 245.273 0.897 30 20 BCED C[C@H](O)c1nnc(N2CC[C@](F)(C#N)C2)n1C 1121488831 ZNUGGZODTJZAET-XVKPBYJWSA-N 239.254 0.310 30 20 BCED C=C[C@](C)(O)C(=O)NCCOCCOCC 885752137 HSQOVGGTTUTBQM-NSHDSACASA-N 231.292 0.093 30 20 BCED C=C(Cl)CNCCNC(=O)c1cc(C)[nH]n1 1124228461 DZDUCXACBYJGOW-UHFFFAOYSA-N 242.710 0.790 30 20 BCED Cc1nc(CNCCNC(=O)C#CC2CC2)co1 1126881765 ZTLYSHMOCIWILM-UHFFFAOYSA-N 247.298 0.602 30 20 BCED C#CCNC(=O)N1CCC(O)(CC=C)CC1 884011764 OSBCHZMYLUNQNV-UHFFFAOYSA-N 222.288 0.732 30 20 BCED CC#CCNCc1cn(CCO[C@H](C)C#N)nn1 881324178 UDKRIJZOJAYJRW-LLVKDONJSA-N 247.302 0.320 30 20 BCED C#CCOCCNC(=O)N(C)CCC=C 786130576 YGPXBEYUUFYLIY-UHFFFAOYSA-N 210.277 0.854 30 20 BCED C[C@@H](CC(=O)NO)NC(=O)C1CCCCC1 782173384 RDLIFWXNVTZACD-QMMMGPOBSA-N 228.292 0.967 30 20 BCED Cc1cc(C(=O)N[C@H]2[C@@H]3CN(CC#N)C[C@@H]32)on1 958212266 UENMRVFKGPGBHF-JZYVYDRUSA-N 246.270 0.167 30 20 BCED Cc1noc(C)c1C(=O)NCCNCC#N 1123363212 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0.811 30 20 BCED CC[C@@H](Nc1ccc(C#N)cn1)[C@@H](C)O 386717733 RECDPSXTJZWCHR-PSASIEDQSA-N 205.261 1.525 30 20 BCED C=CCN[C@@H](C)C[C@@H](C)NC(=O)c1cnn[nH]1 1134843009 GDBDCCYZCYNCSC-DTWKUNHWSA-N 237.307 0.477 30 20 BCED C=C(C)CONC(=O)N1CC[C@H]1CO 895579291 MZIOZDCRHBMITH-QMMMGPOBSA-N 200.238 0.270 30 20 BCED CCC#CCOC(=O)[C@@H]1CCNC(=O)C1 893839372 NTQPXOIQSVAMMF-SECBINFHSA-N 209.245 0.469 30 20 BCED C#CC1(O)CN(C(=O)NCC2(CCC)CC2)C1 893656308 SLZHCEXYYQNEEM-UHFFFAOYSA-N 236.315 0.956 30 20 BCED C#CCCN[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 1207694198 SVIUIOUQGLYSJP-RYUDHWBXSA-N 233.315 0.750 30 20 BCED CC[C@H]1NC(=O)N(C[C@H](C#N)CCC#N)C1=O 899887645 VVIRXHYRCHLFQS-DTWKUNHWSA-N 234.259 0.760 30 20 BCED CC1(CNCCn2cnc(C#N)n2)CC1 393607841 ARPUNHJYUOTUCD-UHFFFAOYSA-N 205.265 0.539 30 20 BCED C#CCN1CC([C@H](C)NC(=O)C2CC2)C1 969181292 ZKPZCIAUYSSYEH-VIFPVBQESA-N 206.289 0.466 30 20 BCED CC#CCNC(=O)NCCCCC(=O)O 168043652 QUEFNKHUQDYLDE-UHFFFAOYSA-N 212.249 0.564 30 20 BCED C=C(C)CNCCNC(=O)[C@H]1C[C@H]2C=C[C@H]1O2 1130467604 LNIPXJQRWUYAEI-GRYCIOLGSA-N 236.315 0.612 30 20 BCED N#C[C@@]1(F)CCN(C(=O)NC[C@H]2C[C@@H](N)C2)C1 892558461 WVFFLHVTTCEOBT-NGZCFLSTSA-N 240.282 0.371 30 20 BCED COC[C@H](C)C(=O)N1CCC[C@H](NCC#N)C1 1207667895 NFEPIONHBHYDJQ-QWRGUYRKSA-N 239.319 0.373 30 20 BCED C#CC1(O)CN(C(=O)c2c(F)ccnc2F)C1 890525620 BWXNASMEMKLXKE-UHFFFAOYSA-N 238.193 0.180 30 20 BCED CO[C@H](C(=O)N=C1C[C@H](C)ON1)C1CC1 792283403 UDNRPZXCIIURKM-RCOVLWMOSA-N 212.249 0.650 30 20 BCED CO[C@H]1CC[C@@H](C(=O)NCCNCC#N)C1 1130545407 LPLCRBMYUIPOKX-ZJUUUORDSA-N 225.292 0.031 30 20 BCED C#CCCNC1CCN(C(=O)c2ncc[nH]2)CC1 1200415214 POKBYXDDPVECLT-UHFFFAOYSA-N 246.314 0.627 30 20 BCED C#C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C(C)C 799043650 ACLXYYDPIKNVQY-ZJUUUORDSA-N 222.288 0.381 30 20 BCED C#CCN1CC([C@H](C)NC(=O)c2nocc2C)C1 970701685 DAJZVOGVYASHBI-JTQLQIEISA-N 247.298 0.666 30 20 BCED CC#CC[C@@H](CO)NCc1cn(C(C)C)nn1 641767482 LGGREKZBYDUTII-NSHDSACASA-N 236.319 0.723 30 20 BCED CCO[C@H]1CCN(c2ncncc2C#N)C1 706515647 ZZEUANXDKRXPGW-JTQLQIEISA-N 218.260 0.963 30 20 BCED C#CCOCCC(=O)OCc1ccnc(N)c1 792071794 XHJPGOPXANHDPP-UHFFFAOYSA-N 234.255 0.747 30 20 BCED C#CCCS(=O)(=O)N1CCC[C@@H]1CCO 710939779 XRJICEKFURJVNK-SNVBAGLBSA-N 231.317 0.186 30 20 BCED C#Cc1cncc(C(=O)NC(C)(C)C(=O)OC)c1 798244694 LRTVFLKDONGDGL-UHFFFAOYSA-N 246.266 0.744 30 20 BCED CN(CC#N)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 971027879 YUIOPECUFSKKCE-GHMZBOCLSA-N 237.303 0.222 30 20 BCED CC(C)(CO)CNN=C1CCCS(=O)(=O)C1 799115944 UQZVBKJEUSQGRH-UHFFFAOYSA-N 248.348 0.159 30 20 BCED C[C@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CCO1 570582953 OXZCIRRECRQDLN-WPRPVWTQSA-N 232.287 1.515 30 20 BCED CC#CCNCCNC(=O)CCc1cncn1C 1149571140 QFZUSPKASQMHKG-UHFFFAOYSA-N 248.330 0.082 30 20 BCED CCC[C@@](C)(O)CNc1ccc(C#N)c(N)n1 575195489 KMPTWNDPYWEITH-GFCCVEGCSA-N 234.303 1.498 30 20 BCED CC(C)[C@@H](CCO)Nc1ccc(C#N)c(N)n1 583823297 QTPJFHRYFUVXLF-SNVBAGLBSA-N 234.303 1.354 30 20 BCED C[C@H]1[C@@H](NCC#N)CCN1C(=O)C1=COCCC1 986048741 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214.309 0.381 30 20 BCED CC(=NNCC(C)(C)O)[C@H]1CCCO1 863138291 HIQLDCZPEJOWNX-SECBINFHSA-N 200.282 0.902 30 20 BCED N#CCN1CC(NC(=O)c2coc(C3CC3)n2)C1 1031059162 GAQVXHOKHKEJSP-UHFFFAOYSA-N 246.270 0.490 30 20 BCED C#Cc1ccc(C(=O)NCC[C@@H](O)CC)nc1 763843317 XALAXJTXCBZFGP-NSHDSACASA-N 232.283 0.954 30 20 BCED C#CCN1CCC[C@H]1C(=O)NCC(=O)CC 768366658 BWLIEVKCKKNYOW-NSHDSACASA-N 222.288 0.179 30 20 BCED C[C@H](C#N)N(C)C(=O)COCc1cccnc1 876450118 VBZQNHOVYXHDSP-SNVBAGLBSA-N 233.271 0.969 30 20 BCED C#CCO[C@H](C)C(=O)O[C@H](CC)C(C)=O 873397452 OHULRMHAIDIVOO-NXEZZACHSA-N 212.245 0.936 30 20 BCED C=CCCn1cc(C[C@@H](O)COC)nn1 871617240 NSABTYKBVQRHRU-SNVBAGLBSA-N 211.265 0.404 30 20 BCED C#CC[C@H](CCOC)NC(=O)NC[C@@H](C)C#N 875477141 IHJBPMGVJRIPQA-WDEREUQCSA-N 237.303 0.874 30 20 BCED Cc1nc[nH]c1C(=O)NC1CCN(CC#N)CC1 874440819 AMNZFBGAOLNJHD-UHFFFAOYSA-N 247.302 0.436 30 20 BCED CCN(CN1CC2(COC2)CC1=O)[C@H](C)C#N 872624154 ZHLLAOZBBJGVDT-SNVBAGLBSA-N 237.303 0.427 30 20 BCED 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BCED Cc1ncccc1NC(=O)C(=O)N(C)CCC#N 338830959 QNYYUZNUVRPVMS-UHFFFAOYSA-N 246.270 0.701 30 20 BCED N#Cc1cc(N(C#N)CCO)ccc1F 337736771 AOYQPWQDSJGQGC-UHFFFAOYSA-N 205.192 0.977 30 20 BCED C#C[C@@](C)(CC)NC(=O)c1ccc(O)nn1 384208023 NYRHINFPMFKMNN-NSHDSACASA-N 219.244 0.714 30 20 BCED COCC[C@H](NCC(=O)NCC#N)C(C)(C)C 338377321 GXJDIYRWRLTNSO-JTQLQIEISA-N 241.335 0.667 30 20 BCED CC#CCCNC(=O)N1[C@H]2CC[C@H]1COC2 334703941 YTJSXATVXLULBS-QWRGUYRKSA-N 222.288 0.973 30 20 BCED CC[C@H](C#N)NC(=O)[C@]1(C)CCCNC1=O 334568905 JOSXTLYYHYNJAA-LDYMZIIASA-N 223.276 0.321 30 20 BCED CN(CCNC(=O)CC#N)CC(F)(F)F 332482498 OQOSGDVQOZZVQG-UHFFFAOYSA-N 223.198 0.510 30 20 BCED C=C(C)CS(=O)(=O)N1CCOC[C@@H](C)C1 336154834 ORRASCCNAFIAEY-JTQLQIEISA-N 233.333 0.861 30 20 BCED Cc1cc(N/C(O)=N/CCCCO)nn1C 331177787 WGLWBDUUJCWCOT-UHFFFAOYSA-N 226.280 0.827 30 20 BCED Cn1cc(C#N)c(NC(=O)c2cncn2C)n1 236093393 DWVQBCSAWZWHAD-UHFFFAOYSA-N 230.231 0.278 30 20 BCED CC(C)OCC[C@H](O)CN1CCOC[C@@H]1C#N 349851643 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0.889 30 20 BCED C=CCCC(=O)N[C@H]1CCN(C(C)=O)C1 349827066 GMTNGZADCHYSLH-JTQLQIEISA-N 210.277 0.690 30 20 BCED N#CCCN(CCC#N)C(=O)[C@H]1CC[C@@H](O)C1 346212356 DGRAVUPBUOGTQD-WDEREUQCSA-N 235.287 0.803 30 20 BCED COCCOCCC(=O)NC[C@H](C)C#N 522018624 WNZJTCHEENIJDF-SECBINFHSA-N 214.265 0.315 30 20 BCED C[C@H](C#N)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 251038379 NJGXUNSSTYUMKS-KXUCPTDWSA-N 235.287 0.273 30 20 BCED C=CCOCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 440935566 WFDCFRPKYNNIRI-GHMZBOCLSA-N 238.331 0.930 30 20 BCED C[C@@](O)(CC(=O)N[C@]1(C#N)CCOC1)C1CC1 358450630 YNFWWDSYVQQMGG-NEPJUHHUSA-N 238.287 0.336 30 20 BCED C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CN(C)C 355703102 BGZLDRARKPQZMO-VIFPVBQESA-N 234.303 0.814 30 20 BCED N#CCNC(=O)CSc1nnc(S)s1 267048282 VLAVHCQOAIYEKB-UHFFFAOYSA-N 246.342 0.559 30 20 BCED C=C[C@@H](C(=O)OC)N1CCN(C)[C@H](C(C)C)C1 619722078 ZXZDOPKWXZPWJO-RYUDHWBXSA-N 240.347 0.986 30 20 BCED CN(C)C(=O)CCCC(=O)N(C)CCC#N 265038182 MNXYRJYKLBLHSA-UHFFFAOYSA-N 225.292 0.617 30 20 BCED 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30 20 BCED C=CCC[C@@H](C)NC[C@@]1(O)CCN(C)C1 309018384 VPNYXYQGTLYLGZ-NEPJUHHUSA-N 212.337 0.997 30 20 BCED Cc1n[nH]cc1CNc1ccc(C#N)nn1 309616100 BUIPTNUISHJLBH-UHFFFAOYSA-N 214.232 0.992 30 20 BCED C#C[C@H](NCc1noc(C)n1)[C@H]1CCCO1 309694886 KSONATBCJKZZAE-VHSXEESVSA-N 221.260 0.648 30 20 BCED COC[C@@H]1CN(c2cc(C#N)ncn2)CCO1 573025067 UXJICWAICQPJFD-JTQLQIEISA-N 234.259 0.200 30 20 BCED C=CCNC(=O)CN1CCNC[C@@H]1C(C)C 530230074 OLSAPVKZDZTUBR-LLVKDONJSA-N 225.336 0.218 30 20 BCED CCc1nc(C(=O)N2CCN(CC#N)CC2)co1 331054279 JTGCRHGIMNVLNC-UHFFFAOYSA-N 248.286 0.518 30 20 BCED CCN(CCC#N)[C@H]1CCCN(C)C1=O 538709134 OJRQXGZTHOAIIH-JTQLQIEISA-N 209.293 0.843 30 20 BCED C=C1CCN(CCNS(C)(=O)=O)CC1 334286367 CHSHSXXPEMYPRF-UHFFFAOYSA-N 218.322 0.188 30 20 BCED CN(CC(=O)NCC#N)Cc1ccccc1 342152626 UHHCNFIKCKEBGE-UHFFFAOYSA-N 217.272 0.758 30 20 BCED C#CCN(CC#N)C(=O)CCc1ccncc1 491023492 YAHFLFVJSYQQOL-UHFFFAOYSA-N 227.267 1.000 30 20 BCED CC(=NNC[C@H](C)O)c1ccc(N)cc1 378860314 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BCED C#CCC(C)(C)C(=O)N[C@@H](CO)c1cnn(C)c1 274338880 CMHXBFMKBZLASJ-NSHDSACASA-N 249.314 0.619 30 20 BCED CCc1nnc(N2CCO[C@H](C#N)C2)n1CC 549070773 MGAZXXCBOCBREO-SECBINFHSA-N 235.291 0.589 30 20 BCED CO/N=C/C(=O)N1CCSC[C@@H]1C#N 289456696 NWKVPCINBMNMHE-OYSUNCFMSA-N 213.262 0.086 30 20 BCED C[C@@H](CC(N)=O)C(=O)NCc1cccc(C#N)c1 283009584 PJTOPBFJHCNTNX-VIFPVBQESA-N 245.282 0.686 30 20 BCED C=C(C)CN(C)C(=O)[C@H](CC)NC(C)=O 632325070 MQIJRJFHGXQGJL-JTQLQIEISA-N 212.293 0.936 30 20 BCED C=CCN1CCC(NCc2ncnn2C)CC1 638524707 RHDVFVYIIAECNL-UHFFFAOYSA-N 235.335 0.555 30 20 BCED CC1(C)C[C@H]1C(=O)NCCn1cnc(C#N)n1 286290512 PJTJKJFKRIBGDA-QMMMGPOBSA-N 233.275 0.312 30 20 BCED C=C(C)CCNC(=O)[C@@]1(C)CCNC1=O 635986916 TTXPDPZEOUEZTG-LLVKDONJSA-N 210.277 0.595 30 20 BCED C#Cc1ccc(CN2CC(CC(N)=O)C2)cc1 297345713 GAYXSDGFUWRLOJ-UHFFFAOYSA-N 228.295 0.975 30 20 BCED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CCC 295247978 GQFGPXCIDZJXEP-UWVGGRQHSA-N 213.277 0.302 30 20 BCED CON=CC(=O)N[C@@H]1CCC[C@@H]1CCO 809783302 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226.320 0.522 30 20 BCED CC#CCNCc1cn(Cc2ccnn2C)nn1 641092767 UXUKRAQMGNPEBE-UHFFFAOYSA-N 244.302 0.173 30 20 BCED C=CCSCCNC(=O)c1cnnn1CC 292752882 BHSRZSQNXMXKNU-UHFFFAOYSA-N 240.332 0.947 30 20 BCED CC[C@@]1(C)NC(=O)N(N=Cc2cnccn2)C1=O 807954367 PVCQLMLEBHQHMB-LLVKDONJSA-N 247.258 0.531 30 20 BCED C=C[C@H](O)C(=O)Nc1cccnc1OC 646684284 NLNORUXXHCRPFY-QMMMGPOBSA-N 208.217 0.576 30 20 BCED C=C(CO)C(=O)N[C@@H](C)[C@H](O)c1ccccc1 813851816 XWCMQAXKRXGCKU-JQWIXIFHSA-N 235.283 0.773 30 20 BCED C#CCON=Cc1ccc(C(N)=O)cc1 812233209 OHESXMHVVPXAMJ-UHFFFAOYSA-N 202.213 0.769 30 20 BCED C#CCCCNc1nccnc1-c1nn[nH]n1 819693291 PKUFCLMISMCNIY-UHFFFAOYSA-N 229.247 0.482 30 20 BCED CC[C@H](O)CNN=C(C)c1cnn(C)c1 811654270 VFBYDOGCGCPPKG-JTQLQIEISA-N 210.281 0.505 30 20 BCED OCCNN=Cc1cnn(CC(F)F)c1 814943658 HXDMYIKGQJCMBB-UHFFFAOYSA-N 218.207 0.064 30 20 BCED C#C[C@H](NS(=O)(=O)NCCC)[C@H]1CCCO1 813693107 PPXBIDBMTRFYAH-VHSXEESVSA-N 246.332 0.001 30 20 BCED C=CCCS(=O)(=O)N[C@@H](C/C=C\C)C(=O)O 571795739 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0.875 30 20 BCED C=C[C@H](CC)CC(=O)N[C@H]1CNC[C@H]1C#N 1353613141 LCMVEZUPJZEYNN-MXWKQRLJSA-N 221.304 0.816 30 20 BCED CC(C)(C#N)NC(=O)CCNC(=O)C(C)(C)C 110006936 BTCODYBKOHEDJC-UHFFFAOYSA-N 239.319 0.957 30 20 BCED CC#CCCNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 222829764 PLFGRHRTYNFQKM-BDAKNGLRSA-N 225.244 0.148 30 20 BCED Cn1nc(-c2cccc(C#N)c2)n(C)c1=O 1517528482 MOMWUJPINCSDQM-UHFFFAOYSA-N 214.228 0.657 30 20 BCED C#CCN1CCC(OC(=O)[C@H](C)OC)CC1 1526629284 BVXADHXRWNAISG-JTQLQIEISA-N 225.288 0.662 30 20 BCED CC#CCN(C)c1cccc(-c2nn[nH]n2)n1 1609059706 FSRHISPHOIAUJR-UHFFFAOYSA-N 228.259 0.721 30 20 BCED CCc1[nH]ccc1C(=O)N(CC#N)CC(=O)O 1605776352 WPUKXWBRAGGQNK-UHFFFAOYSA-N 235.243 0.627 30 20 BCED C=C[C@H](NCCCOC[C@@H]1CCOC1)C(=O)O 1602819529 XTAACMOPKISQTG-QWRGUYRKSA-N 243.303 0.658 30 20 BCED CC[C@@H](C#N)C(=O)N[C@@H](CCOC)C(=O)O 1604864551 NLATUMASBHHTOY-YUMQZZPRSA-N 228.248 0.142 30 20 BCED N#Cc1ccc(C(=O)N[C@@H](CF)C(=O)O)cn1 1601094445 WSMNZBAYPPPZJT-QMMMGPOBSA-N 237.190 0.106 30 20 BCED C[C@H](C#N)CNC(=O)C[C@H]1COC(=O)C1 1543777448 NWRPNGRITITUDU-HTQZYQBOSA-N 210.233 0.215 30 20 BCED C=C(CC)C(=O)N1CCCN([C@H](C)CO)CC1 1548691941 FAXJUYJKNDLVDL-GFCCVEGCSA-N 240.347 0.868 30 20 BCED N#C[C@]1(F)CCN(C(=O)CC2(O)CCC2)C1 1616370456 WRWAYZFCWAUZIS-SNVBAGLBSA-N 226.251 0.756 30 20 BCED CC(=O)NCCN(C(=O)[C@@H](C)C#N)C1CC1 1721221563 YFQOQMXWFYHVAY-QMMMGPOBSA-N 223.276 0.273 30 20 BCED C#C[C@H](C)NC(=O)N[C@H]1CCN[C@@H]1CC 1574486323 MMGNERPTCOAQGQ-AEJSXWLSSA-N 209.293 0.448 30 20 BCED C[C@@H](C#N)CN(C)C(=O)[C@H]1NCc2n[nH]cc21 1575045696 OXFUUGWRGSTMNC-XVKPBYJWSA-N 233.275 0.172 30 20 BCED Cc1cc(F)c(C#N)c(N[C@@H]2CNC[C@H]2O)c1 1579608903 ORZPXCKNCAANNH-VXGBXAGGSA-N 235.262 0.750 30 20 BCED C#CCNC(=O)CCNC1(CC(=O)O)CCC1 1588483762 HOSJWQMESNHFQT-UHFFFAOYSA-N 238.287 0.113 30 20 BCED C=C[C@H](C(=O)O)n1cc(C[C@@H]2CCNC2)nn1 1588672333 RNFFLGGKPAYVMA-WCBMZHEXSA-N 236.275 0.242 30 20 BCED N#Cc1c[nH]c(C(=O)N[C@@H]2CCNC[C@@H]2F)c1 1580062352 XBEWUYVBYKSVLG-DTWKUNHWSA-N 236.250 0.316 30 20 BCED C=CCCC[C@@H](NC(=O)c1nc[nH]n1)C(=O)O 1588798252 YQYWYYAZFWLJQA-SSDOTTSWSA-N 238.247 0.344 30 20 BCED C#C[C@@H](N=c1cc[nH]c(C(=O)O)n1)[C@@H]1CCCO1 1588376593 VZGNDGLHJWIRPW-BDAKNGLRSA-N 247.254 0.189 30 20 BCED CC(C)(C#N)C(=O)OCCCC(=O)C(=O)O 1589554259 ZZRXJWZTGVHMHE-UHFFFAOYSA-N 227.216 0.513 30 20 BCED C=C[C@@H](COC)NC(=O)[C@H](C(=O)O)C(C)C 1588450714 AIZOSYQQBYDIRS-DTWKUNHWSA-N 229.276 0.660 30 20 BCED C=C[C@@H](C(=O)OC)N(C)C[C@H](C)C(=O)O 1588672570 WDPPDQLGJUOTAP-YUMQZZPRSA-N 215.249 0.367 30 20 BCED N#CC1(C[C@H](O)CN2C[C@H]3CCNC[C@H]3C2)CC1 1580037851 ABXLLXFEQNORCQ-AGIUHOORSA-N 249.358 0.582 30 20 BCED C#CCCCNC(=O)C1(C(=O)O)CC=CC1 1588390932 UQEHVJCNGOKFHX-UHFFFAOYSA-N 221.256 0.937 30 20 BCED C#CCNCCN(CCO)C(=O)C(C)(C)C=C 1754888937 IUEICVIOFHPLQV-UHFFFAOYSA-N 238.331 0.242 30 20 BCED C[C@@H](CCCNCC#N)NC(=O)c1cnon1 1755521062 VUCUXXUCLAGFHU-QMMMGPOBSA-N 237.263 0.081 30 20 BCED C[C@H](/C=C\C(=O)O)NC(=O)[C@H](C)CC#N 1592193074 IEXTUEOCFDGTFF-PYWFFMSPSA-N 210.233 0.682 30 20 BCED COCC#CC(=O)N[C@H](CC1CC1)C(=O)O 1599138420 LFCCUNHDJXSYFD-SECBINFHSA-N 225.244 0.006 30 20 BCED N#CCC[C@@H](C#N)CN1CC(C(=O)O)C1 1594605988 MGTPNMNOSFLSEM-QMMMGPOBSA-N 207.233 0.446 30 20 BCED CC(C)(CO)CNN=Cc1cc(C(=O)O)no1 1590782510 PQEJTXBHHUBQFZ-UHFFFAOYSA-N 241.247 0.315 30 20 BCED Cc1noc(NC(=O)N[C@H](C)CC#N)n1 1660206980 NRPSQNDGLQYOGM-RXMQYKEDSA-N 209.209 0.802 30 20 BCED C=CCN1C[C@@H](C(=O)O)C[C@@H](N(C)C)C1 1776181300 PNQRJFSWGBIULI-VHSXEESVSA-N 212.293 0.509 30 20 BCED C=CCc1ccccc1CNC[C@@H](O)C(=O)O 1776188707 BDFFRZWVPYEFEA-GFCCVEGCSA-N 235.283 0.950 30 20 BCED C=CCCO[C@H](C)C(=O)Nc1ncnn1C 150910657 VAIGTKLLEPUNDA-MRVPVSSYSA-N 224.264 0.735 30 20 BCED C#CC[C@@H](NS(=O)(=O)CC(C)(C)C)C(=O)O 127532085 KVWIXMQGXPWYPW-MRVPVSSYSA-N 247.316 0.428 30 20 BCED C=CCN1CC[C@H](NC(=O)c2cc(C)nn2C)C1 1010341408 DLKJXXXGKLCFRG-NSHDSACASA-N 248.330 0.719 30 20 BCED C#CCN[C@H]1CCN(C(=O)c2ccn(CC)n2)C1 1019468465 WFLXROXIDPMPLV-NSHDSACASA-N 246.314 0.340 30 20 BCED C=CCN[C@H]1C[C@H](NC(=O)c2cn(C)nc2C)C1 1020031929 DXNSIPPIVOWGEG-XYPYZODXSA-N 248.330 0.765 30 20 BCED C#CCN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 1020714529 SECCCZVXQDPLKX-ZDEQEGDKSA-N 232.327 0.903 30 20 BCED Cc1nnccc1C(=O)N[C@H]1C[C@@H](NCC#N)C1 1022369385 GHFBCZUPRLQRMD-AOOOYVTPSA-N 245.286 0.159 30 20 BCED C#CCN1CCC[C@@H]1CNC(=O)c1cccn1C 1027760175 SJHSQCDCPVBUNE-GFCCVEGCSA-N 245.326 0.853 30 20 BCED C=C(C)CN1CC(NC(=O)[C@H](C)n2cccn2)C1 1030119566 UMYPSBUTOZIZHJ-NSHDSACASA-N 248.330 0.821 30 20 BCED CC#CCN1CC(CNC(=O)c2conc2C)C1 1031947140 ZVZUUYNSXYUHHB-UHFFFAOYSA-N 247.298 0.668 30 20 BCED C=CCN1CC[C@H]1CNC(=O)C12CCN(CC1)C2 1038915691 XWFMDBRFOZNTMP-LBPRGKRZSA-N 249.358 0.459 30 20 BCED C#CCN1CC[C@@](C)(NC(=O)c2cccnn2)C1 1046719685 OAANFJZTSDMHDT-CYBMUJFWSA-N 244.298 0.304 30 20 BCED CN/C(=N\C[C@@H](O)C(F)(F)F)NC1CC1 262148863 QUOOLZDIYZDQOA-ZCFIWIBFSA-N 225.214 0.237 30 20 BCED C#CCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O 185314064 DVHYXDGXXRDEAW-SNVBAGLBSA-N 236.315 0.821 30 20 BCED CC[C@H](O)[C@H](CC)NS(=O)(=O)CCC#N 568262744 WIUMIPUMFGQYLH-IUCAKERBSA-N 234.321 0.369 30 20 BCED CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1O 401461064 QJLDEDPIVQXGTM-JTQLQIEISA-N 232.287 0.945 30 20 BCED N#Cc1nccc(N(CCO)C2CC2)n1 308985528 GLGLVMVJKGKWJA-UHFFFAOYSA-N 204.233 0.309 30 20 BCED N#Cc1cncnc1N1CC[C@@H](CO)C1 309000444 YVDNIHQOFSMDEH-MRVPVSSYSA-N 204.233 0.167 30 20 BCED CO[C@H](C)[C@H](C)NCCn1cnc(C#N)n1 309443612 JEDYVTMOGFCGHC-DTWKUNHWSA-N 223.280 0.163 30 20 BCED N#Cc1ccc(C(=O)N[C@H]2CN3CCC2CC3)o1 311234099 UYLYLEWGRYHZEF-NSHDSACASA-N 245.282 0.975 30 20 BCED C=CCC[C@H](NC(=O)[C@@H]1CCN(C)C1)C(=O)O 316704322 WDLALRCHZHBVEY-ZJUUUORDSA-N 240.303 0.474 30 20 BCED C[C@@H](Cn1cnc(C#N)c1C#N)N(C)C 331079617 KXKUSADQMNCVCX-QMMMGPOBSA-N 203.249 0.577 30 20 BCED C[C@H](C#N)C(=O)N1CCS[C@H]2COCC[C@H]21 332741826 ZRECSMOJVRVNGH-BBBLOLIVSA-N 240.328 0.879 30 20 BCED C[C@H](C#N)CN1C(=O)[C@H]2CCCN2C1=O 335670524 MKHAEZIMZZKLLY-HTQZYQBOSA-N 207.233 0.573 30 20 BCED Cc1nnc(O)c(C(=O)N(C)[C@H](C)C#N)c1C 701184977 WXHHCOABRKJOLL-ZCFIWIBFSA-N 234.259 0.783 30 20 BCED C=CCOCCN[C@H](COC)[C@H]1CCCO1 339136976 NVKGNIIVWNDKKN-VXGBXAGGSA-N 229.320 0.973 30 20 BCED CN(CC[C@H]1CCCO1)CC(=O)NCC#N 342612722 YWPRZRXRJXRIKC-SNVBAGLBSA-N 225.292 0.127 30 20 BCED CN(C[C@@H]1CCC[C@@H]1O)c1cc(C#N)ncn1 562437479 RCILLJMJZXPLBY-ONGXEEELSA-N 232.287 0.945 30 20 BCED N#CCOc1ccc(NC(=O)C[C@@H](O)CN)cc1 703402156 UXYDVEROBAQGGT-SNVBAGLBSA-N 249.270 0.237 30 20 BCED C=CCC1(O)CN(C(=O)c2cncs2)C1 720933303 OOTQKAVHIUKUSV-UHFFFAOYSA-N 224.285 0.906 30 20 BCED C#CC[C@@H](CO)NC(=O)c1ccccc1[N+](=O)[O-] 717785877 YTICMQTZZIXBMK-VIFPVBQESA-N 248.238 0.709 30 20 BCED C#C[C@@H](CCC)NC(=O)N1CCC[C@H](O)C1 820631273 WXXJBUPBBNBJQB-QWRGUYRKSA-N 224.304 0.955 30 20 BCED C#CCOCCN1C(=O)N[C@@](C)(CC)C1=O 761356435 WCBBAPHRLIHZSY-NSHDSACASA-N 224.260 0.357 30 20 BCED C#CCOCCN(C)CC(=O)NCCCC 1319552096 DXRALYSGNFJJQL-UHFFFAOYSA-N 226.320 0.484 30 20 BCED C[C@H](CCC#N)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1473529734 PELRKRGUVYJWMX-GMTAPVOTSA-N 237.303 0.268 30 20 BCED C#CCN(CC(=O)O)C[C@@H]1CC2(CCC2)CO1 1588424819 XZCGVVYMZLCORS-NSHDSACASA-N 237.299 0.965 30 20 BCED C#CCNC(=O)COC(=O)c1cc(C(C)=O)c[nH]1 8259280 VLAXDEKKVRPYER-UHFFFAOYSA-N 248.238 0.124 30 20 BCED CCN(C[C@@H](C)C#N)C(=O)c1ccc(O)nn1 56409135 LKLHCICABBOTJY-QMMMGPOBSA-N 234.259 0.804 30 20 BCED C#CCNC(=O)N1CCC[C@H](CC(=O)O)C1 54302220 NLDSYJPAHKTBTH-SECBINFHSA-N 224.260 0.516 30 20 BCED CCN(CCC#N)C(=O)[C@H]1CCS(=O)(=O)C1 112676757 HNYNXEUGMAVINH-VIFPVBQESA-N 244.316 0.183 30 20 BCED C[C@]1(C(=O)O)CCN(c2cc(C#N)ncn2)C1 310358926 JGKNKZJHDHUAFP-NSHDSACASA-N 232.243 0.649 30 20 BCED C=CCCC(=O)N(CCOC)CC(=O)OC 114146571 UYTJXHPCCHVSQI-UHFFFAOYSA-N 229.276 0.601 30 20 BCED CCNC(=O)CN(CC)c1ccnc(C#N)n1 310415742 PNXWLOIZMLYSRP-UHFFFAOYSA-N 233.275 0.311 30 20 BCED C=CCCO[C@H](C)C(=O)N1CCS(=O)CC1 171657805 ZGEYFXYTXGOTOB-SNVBAGLBSA-N 245.344 0.559 30 20 BCED CN(C)CCC/N=C(\N)Nc1ccccn1 170905078 UVUNNOOUQXSPFW-UHFFFAOYSA-N 221.308 0.760 30 20 BCED C=C[C@H](C)NC(=O)N[C@H](C)c1nnnn1C 1357137407 AQQISVSTCVPUPB-NKWVEPMBSA-N 224.268 0.145 30 20 BCED C[C@H](C#N)CNC(=O)[C@H](C)OC[C@@H]1CCCO1 171845296 MMRTZYMUPMZBEM-VWYCJHECSA-N 240.303 0.846 30 20 BCED CCCCOC(=O)CNC(=O)c1cc(C#N)c[nH]1 175594401 HMZMVMBNGFKHHN-UHFFFAOYSA-N 249.270 0.959 30 20 BCED C/N=C(/NCCOC)NCc1c(C)noc1C 171601596 OAAMAIPDBMTYMX-UHFFFAOYSA-N 240.307 0.603 30 20 BCED COC[C@@H](O)CNc1cc(C#N)nc(C)n1 308398821 GBIOEXXAILREKI-VIFPVBQESA-N 222.248 0.076 30 20 BCED C[C@@H](O)CN(C)C(=O)Cc1ccc(C#N)cc1 110616864 FZPVBNVGBMULKS-SNVBAGLBSA-N 232.283 0.940 30 20 BCED C[C@H](O)C[C@@H]1COCCN1C(=O)NCCC#N 408365519 JGTOIWXKSGAETF-VHSXEESVSA-N 241.291 0.081 30 20 BCED C#CCN(CC#N)C(=O)CC[C@@H](C)OC 281033799 CKSHVCKDDOYDOK-SNVBAGLBSA-N 208.261 0.787 30 20 BCED CC#CCCCC(=O)N1C[C@@H](C)O[C@@H](CO)C1 187994142 VERZITVMKSYBOC-VXGBXAGGSA-N 239.315 0.788 30 20 BCED C=CCCO[C@H](C)C(=O)N[C@H](C)C[S@](C)=O 182793427 QJZHIWHRBDPFML-LYGAQUJYSA-N 247.360 0.851 30 20 BCED 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227.304 0.592 30 20 BCED C=C[C@@](C)(O)CC(=O)Nc1cc(C)nn1C 330988059 XPOCJQOHEWJQJY-LLVKDONJSA-N 223.276 0.994 30 20 BCED CN(C(=O)CCn1cncn1)C1(C#N)CCC1 331488881 MQYRJMXKLISXFQ-UHFFFAOYSA-N 233.275 0.573 30 20 BCED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CC 332024614 GQHOOLFLCACKHP-VIFPVBQESA-N 225.292 0.483 30 20 BCED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CC#N 332429197 BAYOUJGZRKBBDD-BDAKNGLRSA-N 244.320 0.214 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)c1n[nH]c2c1CCC2 333792309 DNZQIYQKDNGNSP-MNOVXSKESA-N 247.298 0.972 30 20 BCED C[C@H]1[C@H](C(=O)N2CC(O)(CC#N)C2)C1(F)F 334222045 UVQRYNMXWCDFBT-NKWVEPMBSA-N 230.214 0.375 30 20 BCED C[C@H]1C[C@]1(C#N)C(=O)N1CC(OC(F)F)C1 334809323 GAOCYIILSASQES-QUBYGPBYSA-N 230.214 0.986 30 20 BCED C[C@H]1CN(C(=O)c2cnn(C)c2C#N)[C@H]1C 334930855 VIJJCMCWVDFFJP-YUMQZZPRSA-N 218.260 0.772 30 20 BCED C=C(C)C(C)(C)C(=O)N1CCOC[C@H](O)C1 335569535 PXXRSKORKOPECW-SNVBAGLBSA-N 227.304 0.808 30 20 BCED Cc1[nH]ccc1C(=O)N1CC(O)(CC#N)C1 336172762 VOTSNVVCYXXLRM-UHFFFAOYSA-N 219.244 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30 20 BCED Cc1nn(C)c(C)c1C(=O)C(=O)N(C)[C@H](C)C#N 436722343 IUUXXJWREHFQCF-SSDOTTSWSA-N 248.286 0.590 30 20 BCED C=CCOCC(=O)N1CC[C@@H](OCCOC)C1 440573650 CKPYLUHRUGRSSW-LLVKDONJSA-N 243.303 0.453 30 20 BCED N#CCNC(=O)CN[C@@H]1CCC12CCCC2 451451947 BYRYZOGSUPDGAP-SNVBAGLBSA-N 221.304 0.939 30 20 BCED C=CCCC(=O)N[C@H]1CC(=O)N(CC)C1 452980271 GFLHSBBNWGTKQT-VIFPVBQESA-N 210.277 0.690 30 20 BCED C=C(C)COCCNC(=O)N[C@H]1C[C@@H](O)C1 458571755 NZRPUMLLNBDXKC-AOOOYVTPSA-N 228.292 0.402 30 20 BCED C#CCN(CC#CC)C(=O)COCCOC 490674669 CJNFKAXLPXIIGW-UHFFFAOYSA-N 223.272 0.135 30 20 BCED C#C[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(C)C 490972867 IKUVOQYFXNBFEB-MNOVXSKESA-N 244.360 0.820 30 20 BCED C#C[C@H](C)N(C)C(=O)[C@@H](C)CN1CCOCC1 491384120 NNHHESIJOMJQCJ-RYUDHWBXSA-N 238.331 0.435 30 20 BCED C#C[C@H](C)N(C)C(=O)[C@@H](C)n1cncn1 491705988 WATVERQVDMFRJN-DTWKUNHWSA-N 206.249 0.319 30 20 BCED C#CCCc1noc(CCNC(=O)OC)n1 495417625 BJVMMHHXEOJEHZ-UHFFFAOYSA-N 223.232 0.534 30 20 BCED COC[C@@](C)(O)C(=O)N[C@@H]1CC[C@H](C#N)C1 515468141 KERNITGALPKFAY-IQJOONFLSA-N 226.276 0.192 30 20 BCED N#Cc1ccc(C(=O)NCC23CC(CO2)C3)cn1 529874292 GTMMLFUDFDUNGT-UHFFFAOYSA-N 243.266 0.862 30 20 BCED C=CCN1CC[C@H](N(C)Cc2ncnn2C)C1=O 531961624 ZTWFLNNXRSNREW-JTQLQIEISA-N 249.318 0.034 30 20 BCED N#CCCNC1CCN(c2cccnn2)CC1 567726501 IAIPOZQUKCMGLM-UHFFFAOYSA-N 231.303 0.949 30 20 BCED CC1(C#N)CN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 584151506 UJUZAZDMGSLVHS-ZDUSSCGKSA-N 246.314 0.640 30 20 BCED N#Cc1ncn(CCNCc2ccc(O)cc2)n1 589188201 LFXUCTOKNLQWBG-UHFFFAOYSA-N 243.270 0.645 30 20 BCED CN(CCC#N)C[C@H](O)CN[C@H]1CC1(C)C 591240799 CBDKMHUPHYPYQU-MNOVXSKESA-N 225.336 0.581 30 20 BCED CC[C@H](C#N)N(C)C(=O)[C@H]1COCCN1C 594082829 DXGZKZFBMABLFU-NXEZZACHSA-N 225.292 0.078 30 20 BCED Cn1ncc(C#N)c1N[C@H]1CCN(C2CC2)C1 596093034 ZYXYIMJPLDKHIX-JTQLQIEISA-N 231.303 0.940 30 20 BCED CCc1nc(C#N)cc(N(C)[C@@H](C)C(=O)OC)n1 596219528 UMPDLQSKXUVVMF-QMMMGPOBSA-N 248.286 0.908 30 20 BCED N#CC1(CC(=O)NCCO)CCCCC1 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DGFUXSGFZGGQEA-IAZYJMLFSA-N 224.304 0.207 30 20 BCED N#Cc1cn(CC2CCC(=O)CC2)nn1 641501412 ALTNGMOXLLARDS-UHFFFAOYSA-N 204.233 0.909 30 20 BCED CC#CC[C@H](CO)N[C@@H]1CCO[C@H](C)C1 641767098 GTEVVIKOITUOEP-IJLUTSLNSA-N 211.305 0.918 30 20 BCED CC#CC[C@@H](CO)NC(=O)N[C@H](C)COC 645108989 MIZHCSGXWAECLK-ZJUUUORDSA-N 228.292 0.095 30 20 BCED C=CCn1cc(C(=O)N2CCNC(C)(C)C2)nn1 648148831 TWAUYQYZEDYMGL-UHFFFAOYSA-N 249.318 0.288 30 20 BCED CC#CC[C@H](CO)NC(=O)c1coc(CC)n1 649183246 OXMKKMCOCUMVLA-SECBINFHSA-N 236.271 0.741 30 20 BCED CC#CC[C@@H](CO)NC(=O)CCn1cc(C)cn1 649189250 AUQCWAQSPKRUAX-LBPRGKRZSA-N 249.314 0.472 30 20 BCED C=CCOCCNC(=O)N=c1nc(C)[nH]o1 652847252 BBQKBXJAUFKRMY-UHFFFAOYSA-N 226.236 0.124 30 20 BCED C=CCOCC(=O)N(C)Cc1nc(C)no1 655356846 JOSIVYVXDMRUIK-UHFFFAOYSA-N 225.248 0.539 30 20 BCED C=CCCn1cc(CN[C@H](CC)CO)nn1 657286725 SCAQYFRKZCPEAT-SNVBAGLBSA-N 224.308 0.715 30 20 BCED C=C[C@H](CO)NC(=O)NCc1cc(C)on1 660467765 GIOFWOUBWGYLLM-MRVPVSSYSA-N 225.248 0.329 30 20 BCED C=CCCCCNC(=O)c1ncnn1C 664263729 MMNCNXUNFWABGU-UHFFFAOYSA-N 208.265 0.901 30 20 BCED C=C[C@H](O)C(=O)NC[C@H](C)N1CCCC[C@H]1C 666379342 OIRCSHTXSVGVSR-WOPDTQHZSA-N 240.347 0.912 30 20 BCED C=C[C@@](C)(O)C(=O)N1CCSCC1 666580424 ICRMAEPUGRMLJJ-SECBINFHSA-N 201.291 0.499 30 20 BCED C=C[C@](C)(O)C(=O)NCCCNc1ccccn1 668896497 VHDFGWKTMGEPFZ-ZDUSSCGKSA-N 249.314 0.937 30 20 BCED C=CCOCC(=O)N(CCCO)C1CC1 677936879 FKBFUMCTFKOPMN-UHFFFAOYSA-N 213.277 0.562 30 20 BCED C#CCCCNC(=O)[C@@H]1CCCS1(=O)=O 694684471 LRHIPEOROAPBMN-VIFPVBQESA-N 229.301 0.093 30 20 BCED C#CC[C@@H](CO)NCc1cccc(C(=O)O)c1 717813870 RMXZCBQUQXQWGR-LBPRGKRZSA-N 233.267 0.859 30 20 BCED CC#CC(=O)NCc1ncc(C(=O)O)s1 720693015 XZNRQTBEDHZILO-UHFFFAOYSA-N 224.241 0.481 30 20 BCED COc1cc(C=NNS(C)(=O)=O)ccc1O 722681537 HJBMCCWDKMKKQS-UHFFFAOYSA-N 244.272 0.284 30 20 BCED CC(C)[C@H](C)C(=O)OCC(=O)NCC#N 733578128 DVDJGPFEWGVMAN-QMMMGPOBSA-N 212.249 0.461 30 20 BCED C#CCSCCNC(=O)NCC[S@@](C)=O 740061236 NMHKARBJLVXCOI-OAHLLOKOSA-N 248.373 0.031 30 20 BCED N#Cc1ccsc1C(=O)NCCC(=O)O 740322150 QCXZGXRYHNIKIW-UHFFFAOYSA-N 224.241 0.824 30 20 BCED N#C[C@H](C(=O)NC1CC1)C(=O)C1=COCC1 744030368 FNZRZYRGJQHOEN-VIFPVBQESA-N 220.228 0.278 30 20 BCED C[C@@H](C#N)C(=O)N(C)[C@H]1CCCCNC1=O 746202527 QIFOTFUBPVRXNV-IUCAKERBSA-N 223.276 0.273 30 20 BCED C#Cc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)nc1 748363313 OVKPBKWLGRBESR-NWDGAFQWSA-N 242.278 0.730 30 20 BCED CC[C@H](NCC(=O)NCCC#N)[C@@H]1CCCO1 754522222 YHJJYEDGAGXOGM-QWRGUYRKSA-N 239.319 0.563 30 20 BCED C#CCOCCC(=O)N[C@H](C)C[C@H]1CCOC1 755971324 LLYVOEXMJDJGOI-VXGBXAGGSA-N 239.315 0.958 30 20 BCED C=C(Cl)CNC(=O)c1coc(C(N)=O)c1 759100878 KJVMHAJUUIZMNX-UHFFFAOYSA-N 228.635 0.861 30 20 BCED O=C(C#Cc1ccc2c(c1)OCO2)OCCCO 761213121 UJVZSEKXXWBCCD-UHFFFAOYSA-N 248.234 0.692 30 20 BCED C#CCOCCN1C(=O)CN(CC(C)C)C1=O 761356504 WPLOAJQMLUUICR-UHFFFAOYSA-N 238.287 0.556 30 20 BCED C#C[C@H]([C@H]1CCCO1)N1C(=O)[C@H](C)N(C)C1=O 762075474 JPWJVFABAHXYFN-IVZWLZJFSA-N 236.271 0.450 30 20 BCED C=C(CN(C)C)C(=O)NCCCOC 763898703 HPTLGSIYRPSHQZ-UHFFFAOYSA-N 200.282 0.257 30 20 BCED CC#CCCOC(=O)c1cc[n+]([O-])cc1 765385568 BUDYITYCDPNMOD-UHFFFAOYSA-N 205.213 0.890 30 20 BCED C=CCOCC(=O)NOCC(F)(F)F 766773588 HCXHNWYCOVGORE-UHFFFAOYSA-N 213.155 0.799 30 20 BCED CC(=NN1CC(=O)N(C)C1=O)c1cscn1 768378524 BJJBYPZGLKBLLH-UHFFFAOYSA-N 238.272 0.761 30 20 BCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)C1CC1 770861232 FCZJZJZDAQQISR-QMMMGPOBSA-N 217.228 0.722 30 20 BCED CON=CC(=O)N[C@H](C)CC(C)(C)OC 774440591 WCYGJLBILNRZOP-MRVPVSSYSA-N 216.281 0.938 30 20 BCED C#C[C@H](NC(=O)C1(O)CCC1)[C@H]1CCCO1 775347582 MUNQYLDOJFZNDC-VHSXEESVSA-N 223.272 0.198 30 20 BCED C#CCOCCC(=O)OCC(=O)COCC 777064507 BMKVIBMBGRGAIQ-UHFFFAOYSA-N 228.244 0.175 30 20 BCED CC(C)(C#N)CCOC(=O)CN1CCOCC1 778845770 YMZQLNXUEXPLMA-UHFFFAOYSA-N 240.303 0.802 30 20 BCED C#CCOCCNC(=O)NC[C@@H]1CCCO1 783736281 XLGAFADWCVCGTJ-JTQLQIEISA-N 226.276 0.114 30 20 BCED C#CCOCCN[C@H](C(N)=O)c1ccccc1 784080675 WROFVMCBIXRVRN-LBPRGKRZSA-N 232.283 0.452 30 20 BCED CNC(=O)[C@H](C#N)C(=O)CC(C)(C)C#N 786317268 UGNUVVMEZPLTER-SSDOTTSWSA-N 207.233 0.381 30 20 BCED N#CCCNC(=O)[C@@H](C1CC1)N1CCCC1 787630125 VGBTZMYTGVSYSS-LLVKDONJSA-N 221.304 0.891 30 20 BCED CN1C(=O)C(=NN[C@H]2CCOC2)c2ccccc21 788448719 UJUDTGIAOWYBMK-VIFPVBQESA-N 245.282 0.746 30 20 BCED C=C(CO)C(=O)N(CCC#N)CC1CC1 791350979 LNZCUOASZHOHEK-UHFFFAOYSA-N 208.261 0.687 30 20 BCED C=C(CO)C(=O)NCCC(=O)N1CCCCC1 791388581 AEAGPAGCZLWVQE-UHFFFAOYSA-N 240.303 0.054 30 20 BCED COC/C=C/C(=O)N[C@]1(C#N)CC1(C)C 794159163 CCGNASQBYBXWRS-ZWNMCFTASA-N 208.261 0.997 30 20 BCED C#CCOC(=O)c1cnn2c1OCCC2 795732787 HAVSCSMMILTAFL-UHFFFAOYSA-N 206.201 0.456 30 20 BCED C#CCC[C@H](O)CNC(=O)[C@H]1C[C@@]12CCOC2 799072206 DELZLZRJUMSLFP-DMDPSCGWSA-N 237.299 0.304 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@@H](OC)C(C)C 799074901 OXYRDENDZYUDRH-MNOVXSKESA-N 227.304 0.548 30 20 BCED Cc1ccc(C(=O)NCC(N)=O)cc1C#N 799303808 PXNSZJUCUWRSAG-UHFFFAOYSA-N 217.228 0.082 30 20 BCED C#CC(=O)N1CCC[C@H](CN2CCOCC2)C1 801432197 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20 BCED CN1C[C@H](NC(=O)C#Cc2cccs2)CC1=O 825575635 RKUFMIQSQWNVLT-SECBINFHSA-N 248.307 0.447 30 20 BCED Cc1ccnc(N2CC[C@@](O)(CC#N)C2)n1 826618427 LPNATXGSUFDUBC-NSHDSACASA-N 218.260 0.640 30 20 BCED C[C@H](CC(=O)O)C(=O)N[C@@H](C#N)C1CC1 827271764 LFFWILJJPGPTAT-SVRRBLITSA-N 210.233 0.516 30 20 BCED C#CCN(CC#CC)C(=O)C[C@@H]1CCC(=O)N1C 828824530 GLNVCXVCEXZEAI-LBPRGKRZSA-N 246.310 0.482 30 20 BCED C#C[C@H](C)NS(=O)(=O)CC(C)(C)CC#N 831300022 YGMISPRCKLOAFB-VIFPVBQESA-N 228.317 0.867 30 20 BCED Cc1ncsc1C(=O)N[C@@H]1CNC[C@H]1C#N 834521346 GVTZNPVVDFYISS-HTQZYQBOSA-N 236.300 0.293 30 20 BCED C#CCn1cc(CNC(=O)/C=C\COC)cn1 834614863 UGWLVYJAGMJPQO-PLNGDYQASA-N 233.271 0.335 30 20 BCED C=CCONC(=O)N[C@@H](C)CN1CCOCC1 834934274 IOUPPSGNXWTKPF-JTQLQIEISA-N 243.307 0.124 30 20 BCED Cn1cc(C=NN[C@@H]2CCOC2(C)C)c(O)n1 835020069 DHMHUEPXQYIMGA-SECBINFHSA-N 238.291 0.617 30 20 BCED C[C@H]1COC(=O)C1=NN[C@H]1CCOC1(C)C 835020630 JBIXSTQADNIHCT-YUMQZZPRSA-N 226.276 0.692 30 20 BCED 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240.303 0.488 30 20 BCED c1cc2n(n1)CCCC2=NNc1nc[nH]n1 853346026 PPMSMXSCWIMHFS-UHFFFAOYSA-N 217.236 0.611 30 20 BCED C#CCCCCNC(=O)NC[C@H](O)CC 853853095 RKBRMHVANOCAAN-SNVBAGLBSA-N 212.293 0.860 30 20 BCED C#C[C@@H](CC)NC(=O)N1CCOC[C@H]1CCO 854075552 QOMHEEONKQZFRL-WDEREUQCSA-N 240.303 0.191 30 20 BCED C#CC[C@H](CO)NC(=O)c1ocnc1C1CC1 854542133 OKCQRSRXBQJDRB-SECBINFHSA-N 234.255 0.666 30 20 BCED CC(C)C#CC(=O)NCC[C@@]1(O)CCCOC1 855030960 DSVWGOBWQRLMKD-ZDUSSCGKSA-N 239.315 0.694 30 20 BCED C#CCO[C@@H](C)C(=O)N(C)CC1=CCCOC1 855741479 VKWAUMBHNIYLHL-NSHDSACASA-N 237.299 0.830 30 20 BCED C#CCCOC(=O)N(C)C[C@H](C)C(=O)OC 858901090 JSUQXGNMFSZDKQ-VIFPVBQESA-N 227.260 0.887 30 20 BCED C=C(C)CS(=O)(=O)N1C[C@H]2C[C@@H]2C1 863415938 KSLFSTZRJYOYNV-RKDXNWHRSA-N 201.291 0.844 30 20 BCED C#CCNC(=O)N[C@@H]1C[C@H]1C(F)(F)F 864416660 ZXNYFERSYFDIAJ-PHDIDXHHSA-N 206.167 0.870 30 20 BCED C=CCCCS(=O)(=O)NCC1OCCCO1 867161688 KRBOPOWBYZRGKP-UHFFFAOYSA-N 249.332 0.635 30 20 BCED 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C=C[C@H](O)C(=O)N1CCC[C@]2(CCN(C)C2)C1 615600442 CDZBLUMPZLRPKO-WCQYABFASA-N 238.331 0.478 30 20 BCED CC(C)(C)[C@H](C#N)NC(=O)C1(NC(N)=O)CC1 270971011 COPXEVFGFJRVRU-ZETCQYMHSA-N 238.291 0.242 30 20 BCED C=CCC[C@H](O)CN1CC[C@H](CC(N)=O)C1 367995045 XNRYBWAUTRXDDC-MNOVXSKESA-N 226.320 0.511 30 20 BCED COc1cncc(C(=O)N[C@H](C#N)C(C)C)n1 277269849 OKOMVLKVNITMNQ-MRVPVSSYSA-N 234.259 0.763 30 20 BCED CC1(O)CN(C(=O)c2ccc(C#N)[nH]2)C1 277675754 FAEFVSAXBNQNIR-UHFFFAOYSA-N 205.217 0.093 30 20 BCED C[C@H]1CN(C(=O)CCCC#N)CC[S@@]1=O 360287139 ZQQFRMVBIQIRFY-VFZGTOFNSA-N 228.317 0.660 30 20 BCED COCCOC1CN(C(=O)NC[C@H](C)C#N)C1 543337394 HYTTZFUIVCHXLI-SECBINFHSA-N 241.291 0.203 30 20 BCED C[C@@H]1CCC[C@@]1(C)C(=O)NCC(=O)NCC#N 451971289 UQVQJFUFEGFRTP-BXKDBHETSA-N 237.303 0.569 30 20 BCED N#CCC(=O)N[C@H]1CCN(CC(F)(F)F)C1 545175702 QZTYDPWMYFKZKP-ZETCQYMHSA-N 235.209 0.653 30 20 BCED CCN(CCC#N)C(=O)c1cc(OC)n(C)n1 274578833 GLQGGFVSKWEXRU-UHFFFAOYSA-N 236.275 0.804 30 20 BCED C=C(Cl)CN1CCSC[C@H]1C(N)=O 271555586 MFBVCKHICQHCRK-ZETCQYMHSA-N 220.725 0.642 30 20 BCED C=CCCCN1CCC[C@@H](S(=O)(=O)NC)C1 377728670 XZJSUWFMYWEDTK-LLVKDONJSA-N 246.376 0.966 30 20 BCED CCOC(=O)c1cnn(COC)c1C#N 273527177 YFPYODGXFOJXEU-UHFFFAOYSA-N 209.205 0.535 30 20 BCED C#CCNC(=O)NCc1ncnn1C(C)(C)C 282487221 IVFWJPJBKPPXNI-UHFFFAOYSA-N 235.291 0.466 30 20 BCED CC(C)[C@H](C#N)NC(=O)C[C@H]1CCCC(=O)N1 289286183 QQDSCPFOUGXBKG-ZJUUUORDSA-N 237.303 0.710 30 20 BCED CCn1cc(CNC(=O)/C=N/OC)cn1 287912129 VZMAOFWWKMRFDE-WUXMJOGZSA-N 210.237 0.151 30 20 BCED CC(C)(C)C(=O)Cn1cncc(C#N)c1=O 289351211 LBICKKBOAIWYTL-UHFFFAOYSA-N 219.244 0.730 30 20 BCED CSC[C@](C)(C#N)NC(=O)C1=COCCO1 289862768 GSRAEHXNTPUZJI-JTQLQIEISA-N 242.300 0.636 30 20 BCED Cc1n[nH]c(C)c1[C@H]1COCCN1CC#N 374294964 IBGTWSCHUBHAGW-SNVBAGLBSA-N 220.276 0.923 30 20 BCED CCc1ccccc1OCC(=O)NCC#CCO 282921277 NUSLWVDASJGWMW-UHFFFAOYSA-N 247.294 0.740 30 20 BCED C=CC(C)(C)CNC(=O)CCCc1nn[nH]n1 635986917 HURSQHWTUFTTST-UHFFFAOYSA-N 237.307 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BCED C=CCOCCCC(=O)NCCNC(=O)C=C 742654358 XKXNAVGBYZRZQC-UHFFFAOYSA-N 240.303 0.388 30 20 BCED C=C[C@@H](C)ONC(=O)NCCN(C)C1CC1 845634038 RTMOZGFCJCGQRH-SECBINFHSA-N 227.308 0.886 30 20 BCED C=C(C)CONC(=O)NC[C@](C)(O)CSC 845598805 VPEHOINYZSNBLK-JTQLQIEISA-N 248.348 0.907 30 20 BCED C=C1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 912447812 LTTZKXBEHAGCHW-UHFFFAOYSA-N 217.290 0.208 30 20 BCED C[C@H](C#N)N(C(=O)[C@@H]1CCCC(=O)N1)C1CC1 598133839 UDHHHBWYFCLYOX-SCZZXKLOSA-N 235.287 0.558 30 20 BCED C#CCN(CC)Cc1ccn(C)c(=O)c1 746457080 WGTSEJZDEZSQBT-UHFFFAOYSA-N 204.273 0.840 30 20 BCED C=CCN[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 1000492433 YUHWBFLXPLEICM-VIFPVBQESA-N 235.291 0.185 30 20 BCED C=C(CO)C(=O)N(CCO)C1CCSCC1 848024896 TWKOECQWVSMVGE-UHFFFAOYSA-N 245.344 0.251 30 20 BCED C=CCN(CC(=O)NCC(=O)OC)C(C)(C)C 595764272 YJMDIFLJXAZJLB-UHFFFAOYSA-N 242.319 0.562 30 20 BCED C=C(C)CON1C(=O)[C@H]2COCCN2C1=O 843312175 AJQBMNWAPIFLOF-MRVPVSSYSA-N 226.232 0.157 30 20 BCED C[C@H]1CCC(=NNCC(=O)O)CS1 848410220 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0.732 30 20 BCED C=CCCO[C@@H](C)C(=O)OCC(=O)NCC 921227349 IAYVJXZHZJAOHE-VIFPVBQESA-N 229.276 0.647 30 20 BCED C#Cc1cccnc1N(C)CCOCCO 853570776 HEYIJMLTGAJKNY-UHFFFAOYSA-N 220.272 0.508 30 20 BCED C#CCN(C)C(=O)NCCCc1nc[nH]n1 923134422 HZFVSCCCMSYOTF-UHFFFAOYSA-N 221.264 0.012 30 20 BCED CC(C)(C)n1nnc(C=NNc2ccncn2)n1 853353437 BFNNWUXZCZZMIA-UHFFFAOYSA-N 246.278 0.664 30 20 BCED C#CCO[C@@H](C)C(=O)OC[C@]1(C)CCNC1=O 853181431 MCCTWHVDIXCIOQ-CABZTGNLSA-N 239.271 0.094 30 20 BCED COc1cncc(C=NN(C)C[C@@H](C)O)c1 853356761 KHDKHALAFMYEOH-SECBINFHSA-N 223.276 0.737 30 20 BCED C[C@@H](C#N)OC(=O)[C@H]1CCc2n[nH]cc2C1 757817053 QPKZJZUWTILESX-YUMQZZPRSA-N 219.244 0.970 30 20 BCED N#CCCCCN1CCC(S(N)(=O)=O)CC1 686011622 VMGCNIDREOVMOS-UHFFFAOYSA-N 245.348 0.433 30 20 BCED C#CC(=O)N1CCN(Cc2cscn2)CC1 753957703 UWMZEJMLPORVEV-UHFFFAOYSA-N 235.312 0.421 30 20 BCED C#CCOCCOC(=O)c1cn(CC)cn1 853926265 UFKPKTQMJOLYLC-UHFFFAOYSA-N 222.244 0.710 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)/C=C/c1cncc(F)c1 759215751 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30 20 BCED CCn1nccc1C=NNC[C@@H](C)C#N 753712984 DRPDBDVQDXVOHR-VIFPVBQESA-N 205.265 0.986 30 20 BCED N#CC1(C(=O)NC[C@H]2COCO2)CCCCC1 861968280 TXIKQCBXQYLWQT-JTQLQIEISA-N 238.287 0.950 30 20 BCED COC(=O)[C@@H]1C[C@@H]1C(=O)OC1(C#N)CCC1 762095490 SJDRGRWNRRZKCV-SFYZADRCSA-N 223.228 0.785 30 20 BCED C=C[C@](C)(O)c1cn(C[C@H](O)CC)nn1 864653325 YSUKOSVBHRJWMH-SCZZXKLOSA-N 211.265 0.443 30 20 BCED CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCN(CC#N)C1 1032894580 WOZWWYRUTLFAQF-MNOVXSKESA-N 237.303 0.222 30 20 BCED COc1nccc(C(=O)N[C@@]2(C#N)CC2(C)C)n1 936056040 XAHPFDYHDUKPHL-GFCCVEGCSA-N 246.270 0.907 30 20 BCED Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)co1 1032368501 SWUXIUUMKKLSPZ-UWVGGRQHSA-N 246.270 0.405 30 20 BCED C=CCN1CC(NC(=O)[C@@H]2CCCN2C)C1 1030155934 RQBNXEBKPDRGAG-NSHDSACASA-N 223.320 0.067 30 20 BCED CCOc1ccccc1C=NNS(C)(=O)=O 764708175 QRAIRTCPMAVIDL-UHFFFAOYSA-N 242.300 0.968 30 20 BCED O=C(O)CNN=C1CCCc2scnc21 863116915 CICCWCWUNFTUGB-UHFFFAOYSA-N 225.273 0.858 30 20 BCED 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240.219 0.286 30 20 BCED C=C(C)CONC(=O)N1CCOC[C@@H]1CCO 845604386 ARMKERDRVWWDRR-JTQLQIEISA-N 244.291 0.287 30 20 BCED Cc1cc(=O)c(C(=O)NCC2(C#N)CC2)cn1C 846647897 XRTOWXDOPLTHPC-UHFFFAOYSA-N 245.282 0.727 30 20 BCED C#CCOCCC(=O)N[C@@H]1C(=O)OCC1(C)C 846655100 DXOBQXBAONTCRG-SNVBAGLBSA-N 239.271 0.094 30 20 BCED CN1CCN/C1=N/CC[C@@H]1C[C@H]2CC[C@H]1O2 849040480 XDKNPAQMBZBQTM-GMTAPVOTSA-N 223.320 0.835 30 20 BCED C=CCONC(=O)C(=O)Nc1ccn(CC)n1 850465331 AXVZDAWFZWDHML-UHFFFAOYSA-N 238.247 0.075 30 20 BCED C#CCOCCn1cnc(-c2ccccn2)n1 853019689 YLIDCPWNGSWXCC-UHFFFAOYSA-N 228.255 0.990 30 20 BCED COc1cncc(C=NN2CCN(C)CC2)c1 853256498 ZVMIOVZAZVRWMS-UHFFFAOYSA-N 234.303 0.672 30 20 BCED C#CC[C@@H](CO)NC(=O)c1cccc(CO)c1 854543525 XHXISNJTBVJAPS-LBPRGKRZSA-N 233.267 0.293 30 20 BCED CC#CC(=O)N[C@H](c1nccn1C)C(C)(C)CO 855113387 SUUSWOORUUYXIW-LLVKDONJSA-N 249.314 0.619 30 20 BCED C=CCCONC(=O)CNC(=O)C(C)(C)C 856029572 UFJPBWPVBSVPQJ-UHFFFAOYSA-N 228.292 0.773 30 20 BCED C=CCCONC(=O)c1cnc(OC)nc1 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CC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)C#N 1110401669 LLYOHGNDRFECKH-LPWJVIDDSA-N 245.326 0.891 30 20 BCED CN(CCC#N)C(=S)NC[C@@H]1CCOC1 1116348482 XSKWJBVFGZDLKH-VIFPVBQESA-N 227.333 0.743 30 20 BCED C=C[C@@H](COC)NC(=O)NCCC#CC 1116661223 PBUIKJAKNAMLQI-JTQLQIEISA-N 210.277 0.900 30 20 BCED N#CC1(CNC(=O)c2cc(C(N)=O)c[nH]2)CC1 1116888405 COXCSPPZDCZCES-UHFFFAOYSA-N 232.243 0.147 30 20 BCED C=C[C@H](COC)NC(=O)N1CC(O)(C2CC2)C1 1117396113 FTEKLTGWVPUAMJ-SNVBAGLBSA-N 240.303 0.354 30 20 BCED N#CC1(NC(=O)[C@H]2CCc3ncncc3C2)CC1 1118275325 PALHKDXOGYGZFV-VIFPVBQESA-N 242.282 0.754 30 20 BCED C=C[C@H](C)ONC(=O)c1cc(CN(C)C)on1 1118332871 GWFVFEIISPBOSW-QMMMGPOBSA-N 239.275 0.972 30 20 BCED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N1 1120733944 SVKDDEHABQTCFF-NXEZZACHSA-N 222.288 0.832 30 20 BCED C#CCNCC(=O)Nc1cnc(CC)nc1 1121949823 BBEWJJAZTBWXNQ-UHFFFAOYSA-N 218.260 0.200 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)NCc2cnccn2)C1 1123529041 GNGQZSZUORVNPH-VHSXEESVSA-N 245.286 0.968 30 20 BCED 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211.265 0.179 30 20 BCED C#CCNc1ncc([N+](=O)[O-])cc1C#N 48935961 UMCNJAZNYSBXSD-UHFFFAOYSA-N 202.173 0.907 30 20 BCED Cc1nnc(COC(=O)c2cc(C#N)c[nH]2)o1 748228312 UOCGFXUJVGDNLW-UHFFFAOYSA-N 232.199 0.935 30 20 BCED C#CCCCCNC(=O)NC[C@@H]1CNCCO1 841861133 SVVNPMNVARYKID-NSHDSACASA-N 239.319 0.078 30 20 BCED C[C@@H](CO)NN=Cc1cccc(F)c1O 755758054 MBQVXPDUOTYVQG-ZETCQYMHSA-N 212.224 0.836 30 20 BCED C=C[C@H](C)NC(=O)CN(C)C(=O)OC 757014296 YKIJSBRDSHYHBM-ZETCQYMHSA-N 200.238 0.375 30 20 BCED C=CCCONC(=O)[C@H]1CCS(=O)(=O)C1 856029403 MAZKKKXMNLYGJU-QMMMGPOBSA-N 233.289 0.045 30 20 BCED CC(C)(C#N)C[C@@H](O)CNOC[C@H]1CCOC1 857237500 RDXQDOYUYPZNCT-WDEREUQCSA-N 242.319 0.845 30 20 BCED N#Cc1ccc(NC[C@H]2COCO2)nc1 853685867 BZKKQQPTZOHOQG-VIFPVBQESA-N 205.217 0.738 30 20 BCED C#CCN(C(=O)[C@H]1C[C@@H](C(=O)O)C1)C1CC1 1347574790 LPZJJRZRVNHSNQ-DTORHVGOSA-N 221.256 0.721 30 20 BCED CC(C)CCOCCNC(=O)NCC#CCO 923784555 WFSTVRRYZISDEI-UHFFFAOYSA-N 242.319 0.344 30 20 BCED C#Cc1cncc(C(=O)NO[C@H](CO)C(C)C)c1 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C#CCO[C@H](C)C(=O)N1CCC[C@](C)(O)C1 296957877 CJZPLUNOHDFLJK-PWSUYJOCSA-N 225.288 0.398 30 20 BCED C#CCO[C@@H](C)C(=O)N[C@H]1CCSC1 295106953 XWIXHJNEKMRHIU-IUCAKERBSA-N 213.302 0.646 30 20 BCED C=C[C@@](C)(O)CC(=O)NCCN(C)CC 291351197 RSZOQJXONKSAAI-LLVKDONJSA-N 214.309 0.381 30 20 BCED Cn1cc(COc2ccc(F)nc2C#N)nn1 808047184 HVWNUWTYMTUROJ-UHFFFAOYSA-N 233.206 0.800 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCO[C@H]2C[C@@H]21 646725474 QFBJYIPSKJTHCK-QXEWZRGKSA-N 211.261 0.313 30 20 BCED C#Cc1ccccc1CC(=O)NCCCO 290208018 UVZPWSDMVRKNPC-UHFFFAOYSA-N 217.268 0.709 30 20 BCED C=C[C@@H](O)C(=O)N1CCN(CC2CC2)CC1 646691277 UTZRHPVPYLHJNK-LLVKDONJSA-N 224.304 0.088 30 20 BCED C=CCCCOC(=O)COCc1nncn1C 815290101 GFISJFXGZHOLJP-UHFFFAOYSA-N 239.275 0.841 30 20 BCED C#CCONC(=O)CC(C)(C)CC(=O)OC 812784330 IPOGGCRHBPIHTR-UHFFFAOYSA-N 227.260 0.647 30 20 BCED CC(=NN1CCN(C)CC1)C1CCN(C)CC1 814686198 WLMFJQRICJVDSE-UHFFFAOYSA-N 238.379 0.952 30 20 BCED C=C[C@H](C)NC(=O)NC[C@H]1CC(=O)N(CC)C1 651315605 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BCED CC#CCNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 655036212 UQUSTTYETNWRSA-AEJSXWLSSA-N 205.257 0.741 30 20 BCED C#CCO[C@H](C)C(=O)N(C)Cc1cnn(CC)c1 825831339 WJHKMHBVTTZRGV-LLVKDONJSA-N 249.314 0.900 30 20 BCED CCSCCn1cnc(C#N)c1-c1nn[nH]n1 825675197 ZKRLMDAZKFIHDE-UHFFFAOYSA-N 249.303 0.688 30 20 BCED C=C[C@@H](C)ONC(=O)CCNC(=O)OC 496117599 ALTHSPKINCOHBD-SSDOTTSWSA-N 216.237 0.355 30 20 BCED CN(CC#N)Cn1nc(C(C)(C)C)ccc1=O 727421416 DWZQFQUJWGEDKO-UHFFFAOYSA-N 234.303 0.954 30 20 BCED C#CC(C)(C)NC(=O)[C@H]1C[C@H]1C(=O)OC 490961459 HKWOAGHCLRWHFE-JGVFFNPUSA-N 209.245 0.324 30 20 BCED CC[C@@](C)(C#N)NC(=O)[C@H](C)CC(=O)O 828603915 RAKBZYYETSGLQE-XCBNKYQSSA-N 212.249 0.906 30 20 BCED C#CCN(CC#N)C[C@H]1CC2(CC2)C(=O)O1 491463795 OUJFUFSOZNZQPU-SNVBAGLBSA-N 218.256 0.541 30 20 BCED C#CCN(C1CC1)S(=O)(=O)C[C@H](CC)OC 491749031 PHPNEEIABNIHCS-NSHDSACASA-N 245.344 0.839 30 20 BCED C[C@@H](C#N)OCCN1CC[C@](O)(CC#N)C1 829998490 MKUBPBZBXYQFSC-WDEREUQCSA-N 223.276 0.266 30 20 BCED C=CCCNC(=O)N[C@@H](CO)[C@@H](O)CCC 665940775 LZCYLPBREJBMFS-UWVGGRQHSA-N 230.308 0.384 30 20 BCED CC[C@H](O)[C@H](C)C(=O)N1CCO[C@@H](C#N)C1 900605771 MBCNYDKTFDMWHJ-GUBZILKMSA-N 226.276 0.144 30 20 BCED CC(C)C#CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 825304079 QQRBHTUIOOFGHY-LLVKDONJSA-N 236.315 0.771 30 20 BCED CC#CCNc1nccnc1-c1nn[nH]n1 823943475 PPJNJUFLBOOWAK-UHFFFAOYSA-N 215.220 0.092 30 20 BCED Cc1cnc2c(cnn2CC(=O)N[C@@H](C)C#N)c1 904060980 VWTXXSGXSXLMCO-VIFPVBQESA-N 243.270 0.768 30 20 BCED C=CCCNC(=O)N1C[C@H]2C[C@@]2(CO)C1 820765980 VKLMCLKUZLIKOI-KOLCDFICSA-N 210.277 0.586 30 20 BCED C#Cc1ccc(C(=O)NCCNC(=O)C=C)nc1 732099512 GUHCDUTZEDEMCD-UHFFFAOYSA-N 243.266 0.095 30 20 BCED C=CCN(CCC#N)C(=O)c1noc(C)n1 493897089 LPLGWFDCAJHNDP-UHFFFAOYSA-N 220.232 0.920 30 20 BCED C#C[C@H](NC(=O)[C@@H](C)N(C)C)[C@@H]1CCCO1 822073794 UGMXJZMRDDEEEL-VWYCJHECSA-N 224.304 0.234 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(O)C1 906902259 PNHQWNZJKVJOCR-GMXVVIOVSA-N 239.315 0.951 30 20 BCED C#C[C@H](C)N(C)C(=O)COCc1ncc(C)o1 491657642 VBOBOVILVPQURO-VIFPVBQESA-N 236.271 0.980 30 20 BCED C=C[C@](C)(O)C(=O)NCCCCCOC 667579383 ZGVSZIGHENYOOG-NSHDSACASA-N 215.293 0.856 30 20 BCED C#CCN1CCC[C@H]1C(=O)NCc1cc[nH]n1 730276532 MXPFGDZNTUAVTC-NSHDSACASA-N 232.287 0.124 30 20 BCED CC(C)(NC(=O)CSCC#N)c1cnn[nH]1 734409744 HHLXPRJXPMYZLT-UHFFFAOYSA-N 239.304 0.413 30 20 BCED C=CCN1CC[C@H](SC2COC2)C1=O 901635046 PFEHMRMCYMUEHN-VIFPVBQESA-N 213.302 0.905 30 20 BCED C#CCO[C@H](C)C(=O)NCCCCC(=O)O 909187805 PLXBILUJIQQWFE-SECBINFHSA-N 227.260 0.396 30 20 BCED C=C(C)CN(C)C(=O)C1(C(N)=O)CCC1 679244058 RWVQZABMVDSOHS-UHFFFAOYSA-N 210.277 0.677 30 20 BCED CN(C)C(=S)NN=Cc1cccn1C 731560171 GQNMCYYXJPDEOJ-UHFFFAOYSA-N 210.306 0.795 30 20 BCED N#C[C@@H]1CNC[C@H]1NC(=O)C(C1CC1)C1CC1 834480794 WFTGLVQWPLASPM-GHMZBOCLSA-N 233.315 0.650 30 20 BCED C=CCN(CC=C)c1nccn(C)c1=O 673933150 PCPLINJGIPQTCW-UHFFFAOYSA-N 205.261 0.959 30 20 BCED O=C(NO)c1cccc(N2CCCNC2=O)c1 671996864 XXZODAFLVZXCOG-UHFFFAOYSA-N 235.243 0.725 30 20 BCED C=C[C@H](CO)NC(=O)[C@@H](C)[C@@H](O)CC 912716910 OKSJKRQPSWGQRD-YIZRAAEISA-N 201.266 0.057 30 20 BCED C#CC(C)(C)NS(=O)(=O)c1cnn(CC)c1 733898048 AXNLWIIHGVQEJF-UHFFFAOYSA-N 241.316 0.593 30 20 BCED CN(C)[C@H]1[C@@H]2CN(C(=O)CSCC#N)C[C@@H]21 599989369 YVNHKLIMZSNCQL-JZYVYDRUSA-N 239.344 0.262 30 20 BCED CC(C)OCCCC(=O)N(CC#N)CC(=O)O 833503503 CGYYQJCKOKOXOX-UHFFFAOYSA-N 242.275 0.628 30 20 BCED C#CCO[C@@H](C)C(=O)O[C@H]1CCCOC1 835222617 FGCKSXSBICIRAG-UWVGGRQHSA-N 212.245 0.747 30 20 BCED C=CCCC[C@@H](N)C(=O)N1CCN[C@@H](C)C1 911812730 VEJIICFWWHQQLZ-WDEREUQCSA-N 225.336 0.490 30 20 BCED Cc1nccnc1CCNc1ccc(C#N)nn1 590146053 RWTVSARYUYKBSO-UHFFFAOYSA-N 240.270 1.101 30 20 BCED C=C(C)CN(CC)C(=O)C(=O)NCC1(N)CC1 911504184 VAJQZBFTPCFGNS-UHFFFAOYSA-N 239.319 0.019 30 20 BCED CCOC(=O)c1c(C)[nH]c(C(=O)NO)c1C 916666216 VPUQALZNCIPUTB-UHFFFAOYSA-N 226.232 0.927 30 20 BCED N#Cc1ccccc1/C=C/C(=O)NCC(=O)O 740322901 FWPAVDUPIZARMY-AATRIKPKSA-N 230.223 0.772 30 20 BCED CS(=O)(=O)c1ccnc(SCCC#N)n1 912200748 NVWZQVRERWANRD-UHFFFAOYSA-N 243.313 0.886 30 20 BCED C[C@@H](C#N)OC(=O)[C@H]1CCc2c[nH]nc2C1 745624018 DWYFRUQWSGRGHN-YUMQZZPRSA-N 219.244 0.970 30 20 BCED C[C@@H](C#N)N(C1CC1)S(=O)(=O)C1COC1 594836703 JZASNEQXOMPIPI-ZETCQYMHSA-N 230.289 0.091 30 20 BCED CN(C)c1noc(CCC(=O)N2CC(C#N)C2)n1 590485910 QIMRIUPNUGKKSM-UHFFFAOYSA-N 249.274 0.050 30 20 BCED C=C(C)CNC(=O)N(C)CC(=O)N1CCCC1 681660255 VSOCXWPRIZMSFH-UHFFFAOYSA-N 239.319 0.826 30 20 BCED C=C(C)CONC(=O)C(=O)Nc1cccc(C)n1 846146726 KKXLPOXAINBUJI-UHFFFAOYSA-N 249.270 0.952 30 20 BCED C[C@H](N)CNC(=O)NCc1cccc(C#N)c1 591340721 LTENVZSMGASHPK-VIFPVBQESA-N 232.287 0.705 30 20 BCED C[C@@H](CCO)N(C)C(=O)c1cccc(C#N)n1 593880197 MIDJPNMPJCIQKX-VIFPVBQESA-N 233.271 0.796 30 20 BCED CN(C[C@@H]1CCC[C@@H]1O)c1c(C#N)cnn1C 596175169 QJMQQQLLLMYHDM-ONGXEEELSA-N 234.303 0.889 30 20 BCED Cc1cc(C#N)nc(N[C@H](CO)CCF)n1 593510372 VMFURYRQFRRJGO-QMMMGPOBSA-N 224.239 0.789 30 20 BCED C=CC(C)(C)CC(=O)N1C[C@H](O)C[C@]1(C)CO 912676537 BFBMZAVYKUUREK-ZWNOBZJWSA-N 241.331 0.933 30 20 BCED CCOC1CC(O)(CNc2cc(C#N)cnn2)C1 596213284 YQULVQUZBSNGGN-UHFFFAOYSA-N 248.286 0.690 30 20 BCED CC#CC[C@H](CO)NC(=O)NCCCC#N 592008717 LPUIAVWTYMLKKR-SNVBAGLBSA-N 223.276 0.364 30 20 BCED C=C(Cl)CNC(=O)NC[C@H]1CNCCCO1 842012021 VXLDCXVJFUJMKB-SECBINFHSA-N 247.726 0.417 30 20 BCED C#CCSCCNC(=O)[C@H]1CCC(=O)C1 843804746 ZCDFYLNBPGYWHQ-VIFPVBQESA-N 225.313 0.838 30 20 BCED N#CC[C@@H]1CCCN([C@@H]2CC(=O)NC2=O)C1 594660973 UJSPGNVVYVJCAF-DTWKUNHWSA-N 221.260 0.027 30 20 BCED C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N(C)C 591796980 JSVIQKXULRKBOG-LPEHRKFASA-N 209.293 0.745 30 20 BCED CCN(CCO)N=C(C)c1nccnc1C 842537029 JQKNPOIOZOJIJT-UHFFFAOYSA-N 222.292 0.823 30 20 BCED CCO[C@@H](C(=O)N(CC#N)CC#N)C1CC1 599243999 GSXVYTZTDGBAFD-SNVBAGLBSA-N 221.260 0.677 30 20 BCED CC1CN([C@H](C)C(=O)NC2(C#N)CCC2)C1 594252872 AUQCHAFPEVOBLN-SNVBAGLBSA-N 221.304 0.889 30 20 BCED C=CCN(C(=O)CN1CCN(C)CC1)C(C)C 746218884 MOOKYJFPAIKEFU-UHFFFAOYSA-N 239.363 0.657 30 20 BCED CN1CC[C@H](COC(=O)CCCC#N)C1=O 847798536 KRMMJACBKWDSNS-SECBINFHSA-N 224.260 0.702 30 20 BCED C=CCCCCOC(=O)C1(S(N)(=O)=O)CC1 845206019 HTHYKHNXYSJQAT-UHFFFAOYSA-N 247.316 0.707 30 20 BCED CC(=NN(C)[C@H](C)CO)c1cn(C)nc1C 842544858 WZXLYOIXWJJONS-MRVPVSSYSA-N 224.308 0.765 30 20 BCED C#C[C@@H](CC)NC[C@H](O)CCC(=O)OCC 385418090 IDQAMLSQRIRSLM-WDEREUQCSA-N 227.304 0.692 30 20 BCED C=C(C)CONC(=O)NCc1cocn1 845596403 TWYFOSYJSPPOLF-UHFFFAOYSA-N 211.221 0.982 30 20 BCED CC#CCCNC(=O)N[C@@H](C)C(C)(C)O 681538892 ZLMUZOIAYVQNFZ-VIFPVBQESA-N 212.293 0.858 30 20 BCED C#CCOCCC(=O)NC[C@@](C)(O)C1CC1 755940296 HNBBTSWTDONWOR-GFCCVEGCSA-N 225.288 0.304 30 20 BCED C=CCCONC(=O)[C@](C)(O)COC 856032088 GICRWMBJJNBGIF-SECBINFHSA-N 203.238 0.008 30 20 BCED COCC#CCOC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 923576856 MLDCNHAYFDTECG-DVVUODLYSA-N 222.240 0.405 30 20 BCED C=C[C@@](C)(O)C(=O)NCCCOCOC 854760395 XVMFRJOOZOWXEC-SNVBAGLBSA-N 217.265 0.050 30 20 BCED C=CCOCCOC(=O)c1ccnc(OC)n1 923929136 JYHAZIRSQOVIFL-UHFFFAOYSA-N 238.243 0.845 30 20 BCED C#CCCCC(=O)OCC(=O)NC1CC1 759183361 QSJKJEAWHNFWFO-UHFFFAOYSA-N 209.245 0.612 30 20 BCED C#C[C@H](CC)NC(=O)N1CC[C@H](O)[C@@H](C)C1 854077135 KOBMLXBOPLTLEM-AXFHLTTASA-N 224.304 0.811 30 20 BCED C#C[C@H](CC)NC(=O)C(C)(C)NC(C)=O 754680543 VMKGKMBUHHYKNV-SECBINFHSA-N 210.277 0.429 30 20 BCED COC(OC)C(=O)N1CCC[C@H](C#N)C1 693925020 GTMIRJMSWPIOBO-MRVPVSSYSA-N 212.249 0.367 30 20 BCED C=CCn1cc(CNC(=O)N[C@@H]2C=CCC2)nn1 852388093 RPXVFJCTWSBGGY-SNVBAGLBSA-N 247.302 0.982 30 20 BCED C#C[C@H](C)N(C)C(=O)NC[C@H]1CCN1C 925415217 DRWMINNPDKOXTG-VHSXEESVSA-N 209.293 0.354 30 20 BCED C[C@H](N)CCNC(=O)NCC(C)(C)C#N 857102065 JFUYXMFLEJRAKO-QMMMGPOBSA-N 212.297 0.573 30 20 BCED C#CCOCCC(=O)Nc1c[nH]c(C(N)=O)c1 755961292 PDHFXJTVXNWLPK-UHFFFAOYSA-N 235.243 0.092 30 20 BCED C#CCOCCNC(=O)CCCCN(C)C 753229608 YEWIPJVHTHDDJI-UHFFFAOYSA-N 226.320 0.484 30 20 BCED C#CC[C@@H](CO)NC(=O)C1(C(C)C)COC1 936062433 LYLQCCFYWCNZFR-JTQLQIEISA-N 225.288 0.159 30 20 BCED C=CCCC(=O)NS(=O)(=O)CC=C 132755362 BYTLVISZYVCYAF-UHFFFAOYSA-N 203.263 0.585 30 20 BCED C#C[C@](C)(CC)NCC(=O)NC[C@H]1CCCO1 852098171 GXQUKJMDWNXFFO-DGCLKSJQSA-N 238.331 0.673 30 20 BCED CN1CCCC(=NNCC(C)(C)O)CC1 863138203 DEHMEPULCFNTCN-UHFFFAOYSA-N 213.325 0.819 30 20 BCED C#CCN1CCC[C@H](NC(=O)NCCC)C1 884022415 HDZVTKGUIKDGGT-NSHDSACASA-N 223.320 0.793 30 20 BCED CC[C@]1(C)CC(=O)N(CN(C)CC#N)C1=O 767968059 FEKSHQZYHIDRPL-LLVKDONJSA-N 223.276 0.574 30 20 BCED C=C[C@H](CO)NCCOCCOCC 931067394 NYJVMUJAFHMTQR-SNVBAGLBSA-N 203.282 0.176 30 20 BCED C#CCON1C(=O)N[C@@H](c2ccccn2)C1=O 1119600769 XNYYCQGDDMBPSG-VIFPVBQESA-N 231.211 0.239 30 20 BCED C#C[C@@H](NCc1nncs1)[C@H]1CCCO1 1119743317 HJXLIMFAEDZTQT-RKDXNWHRSA-N 223.301 0.809 30 20 BCED C=CCN1CCCC[C@@H](NC(=O)c2nc[nH]n2)C1 1034444483 QKXGFVCMRNJKNT-SNVBAGLBSA-N 249.318 0.575 30 20 BCED CN(CC(N)=O)C(=O)Cc1ccccc1CC#N 777304578 VKXVGJNCHURLHJ-UHFFFAOYSA-N 245.282 0.239 30 20 BCED O=C1CNC(=O)N1N=Cc1cc(F)ccc1O 770607584 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0.657 30 20 BCED C[C@H](CN(C)C)NS(=O)(=O)CC1(C#N)CC1 344890074 SXOYKXPEZZJHPB-SECBINFHSA-N 245.348 0.160 30 20 BCED N#CCCCN1CCN2C(=O)OC[C@H]2C1 370558827 VDFKODKLGNWUNL-SECBINFHSA-N 209.249 0.427 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H]1CCN(C(C)C)C1=O 593476345 OCDQEPVYLQYAPS-NXEZZACHSA-N 237.303 0.662 30 20 BCED N#Cc1ccnc(CN2CCCS2(=O)=O)c1 901482984 UUNYGEVRWXOPOZ-UHFFFAOYSA-N 237.284 0.489 30 20 BCED C#CC1(O)CN(CCOc2ccc(C#N)cc2)C1 934442255 OEOZWUHUAORGAZ-UHFFFAOYSA-N 242.278 0.617 30 20 BCED C=CC[C@@H](NC(=O)[C@@H]1CCCCN1C)C(=O)O 1332134660 DDCQLBTZKLYJFP-ZJUUUORDSA-N 240.303 0.616 30 20 BCED C=CC[C@@H](CO)CNC(=O)c1cccn1C 342179141 KLLVSFJDAHRZRZ-SNVBAGLBSA-N 222.288 0.940 30 20 BCED C=CC[C@H](CO)CNC(=O)CCn1cccn1 342217659 WUIHLYARDXKOEL-NSHDSACASA-N 237.303 0.574 30 20 BCED CCCC[C@H](C(=O)OC)N1CCO[C@H](C#N)C1 106306635 CRDHEMJSHIAIKV-GHMZBOCLSA-N 240.303 0.943 30 20 BCED C[C@H](CC#N)NS(=O)(=O)N(C)CC1CC1 408203373 QCKPMZDHHQWPNK-MRVPVSSYSA-N 231.321 0.465 30 20 BCED CN(CCOCCO)c1cccnc1C#N 301044496 MNLNRNMPOZBGIP-UHFFFAOYSA-N 221.260 0.398 30 20 BCED C=CCN(C)CCN(CC)[C@@H](CC)C(N)=O 429721870 OLQZURDVYOUFJZ-NSHDSACASA-N 227.352 0.690 30 20 BCED C=CC[C@H](C)NC(=O)NCCOCCOC 116950283 GAZYITHSLOXSSP-JTQLQIEISA-N 230.308 0.913 30 20 BCED C#CCOCCC(=O)N[C@H](CCO)C1CC1 305458186 UMSFQDFDWPLMEU-LLVKDONJSA-N 225.288 0.304 30 20 BCED COCCc1nc(CN(C)[C@@H](C)CC#N)no1 351537498 PKVAMYIVKVZDRN-VIFPVBQESA-N 238.291 0.992 30 20 BCED COC(C)(C)C(=O)Cn1cccc(C#N)c1=O 281006103 NZMQRJALEKRFHM-UHFFFAOYSA-N 234.255 0.714 30 20 BCED C[C@@H]1CO[C@@H](CO)CN1c1ncccc1C#N 129223360 DLFXRDJIWUIOMK-MWLCHTKSSA-N 233.271 0.539 30 20 BCED C#CCNC(=O)N1CCN(CC2CC2)CC1 120507824 HMTXQAKYLMAECN-UHFFFAOYSA-N 221.304 0.357 30 20 BCED C[C@H](C#N)CNc1cn[nH]c(=O)c1Cl 307749155 FLXMAVVLOJMKTH-RXMQYKEDSA-N 212.640 0.995 30 20 BCED CC1(O)CN(S(=O)(=O)CCCCC#N)C1 408420752 ZUBFWSDIGQGLQF-UHFFFAOYSA-N 232.305 0.077 30 20 BCED C[C@H](C#N)C(=O)Nc1ccc(OCC(N)=O)cc1 357802284 PCFJMTNOZFXZSK-MRVPVSSYSA-N 247.254 0.649 30 20 BCED C[C@@H](C#N)CN(C)S(=O)(=O)C[C@@H]1CCOC1 408116877 UIDWKUSIINDYTD-VHSXEESVSA-N 246.332 0.444 30 20 BCED CC#CCNC(=O)c1ccnc(N(C)C)c1 121242097 FTWJAGRRGPPVSQ-UHFFFAOYSA-N 217.272 0.901 30 20 BCED C#CCC(C)(C)C(=O)NCCS(=O)(=O)CC 185448225 HEPQLWIXEOHIFX-UHFFFAOYSA-N 245.344 0.587 30 20 BCED Cc1ncc(C(=O)NC2(C#N)CC2)c(C)n1 182169939 WOPNGWDIZWAULW-UHFFFAOYSA-N 216.244 0.879 30 20 BCED Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C#N 125616860 GSNNVWCJFJEIRY-LURJTMIESA-N 234.215 0.940 30 20 BCED C=C(C)COCCNC(=O)NCCNCCC 417879246 BGRNTDPVDSQZAO-UHFFFAOYSA-N 243.351 0.878 30 20 BCED CC#CC(=O)Nc1cccc(S(N)(=O)=O)c1 232646608 OLUITZQXCBWBSV-UHFFFAOYSA-N 238.268 0.296 30 20 BCED C=CCCO[C@@H](C)C(=O)NCCCC(=O)O 123507617 MTTAGTBYFQVDTI-VIFPVBQESA-N 229.276 0.949 30 20 BCED COC[C@H](O)CNCc1ccc(C#N)cc1F 71272258 SJKOVFUHBXAORA-LLVKDONJSA-N 238.262 0.794 30 20 BCED C=C(C)C[C@@H](C)C(=O)N(CC)CC(N)=O 189686434 IPVJPTOTQOYJRC-SECBINFHSA-N 212.293 0.923 30 20 BCED COC[C@@H](C)N(C)C(=O)c1c[nH]c(C#N)c1 181226998 AJBJMDCMDPRANW-MRVPVSSYSA-N 221.260 0.993 30 20 BCED C#C[C@@H](C)NC(=O)N1CCO[C@H](COC)C1 186040291 PNQFMYNLRACQAZ-ZJUUUORDSA-N 226.276 0.065 30 20 BCED Cc1ccc(C(=O)NCC#CCO)cc1 283165388 GNUXMSSHTCOFAV-UHFFFAOYSA-N 203.241 0.721 30 20 BCED CC#CCNC(=O)NCCCNC(=O)C(C)C 135902791 ROWULXWBVLNSNC-UHFFFAOYSA-N 239.319 0.471 30 20 BCED CN(CC/N=C(/O)[C@]1(O)CCSC1)C1CC1 328963949 LPMTXGGTKIGEDF-NSHDSACASA-N 244.360 0.905 30 20 BCED Cn1cnc(C/N=C(/O)N[C@@H]2CC[C@@H](F)C2)n1 329284711 OOCVUFZRUYRMKZ-HTQZYQBOSA-N 241.270 0.709 30 20 BCED C[S@@](=O)CCNC(=O)c1cccc(C#N)c1 135472162 MJWGRCMTFYXMBL-INIZCTEOSA-N 236.296 0.667 30 20 BCED CN(c1cc(C#N)ccn1)[C@@H]1COC[C@H]1O 286482978 WSXVKSLPJNIELE-NXEZZACHSA-N 219.244 0.149 30 20 BCED CC#CCCNC(=O)N[C@@H]1CCN[C@H](C)C1 418036084 VNCORNMEFUCYRZ-GHMZBOCLSA-N 223.320 0.840 30 20 BCED Cc1nccn1CCCNC(=O)[C@H](C)C#N 338333883 RUNLCRUGVODVHQ-SECBINFHSA-N 220.276 0.858 30 20 BCED C=C[C@H](C)NC(=O)NCC[S@@](C)=O 379389154 KWYZMPIYEHDBQK-WPPNPWJKSA-N 204.295 0.239 30 20 BCED COC(=O)[C@H](C)NC(=O)c1ccc(C#N)c(C)n1 42240164 BCNLOGGFELSJDM-QMMMGPOBSA-N 247.254 0.553 30 20 BCED C#CCNCC(=O)N(C)[C@@H]1CCSC1 86156729 QRENZVMDIVGZKP-SECBINFHSA-N 212.318 0.173 30 20 BCED CC[C@](C)(C#N)C(=O)NC[C@@H]1COCCO1 136198946 HUQIPMOIRTUVCG-MWLCHTKSSA-N 226.276 0.458 30 20 BCED C[C@H]1CN/C(=N/CCCOCC2CC2)N1 379840556 CWRNGLOCQQJEPO-VIFPVBQESA-N 211.309 0.740 30 20 BCED C[C@@]1(CO)CN(CCCCC#N)C[C@]1(C)CO 528746946 FEROTSAVYYYCTL-BETUJISGSA-N 240.347 0.993 30 20 BCED CC[C@@H](NN=C(C)c1cc[nH]n1)C(=O)O 380145202 WPGMKBJXZKFXNP-SSDOTTSWSA-N 210.237 0.587 30 20 BCED C=CCC1(C(=O)N[C@@H](C)C(N)=O)CCC1 191464109 LCFBDYHTPQPMGY-QMMMGPOBSA-N 210.277 0.723 30 20 BCED CCCNC(=O)CO/N=C(/N)c1ccsc1 48379619 VEYKBANSLYHOHA-UHFFFAOYSA-N 241.316 0.911 30 20 BCED N#Cc1ccc(N2CC[C@@H](C(N)=O)C2)cc1 225737003 DHADPKZKXYHMIN-SNVBAGLBSA-N 215.256 0.870 30 20 BCED CCN(C[C@H](C)C#N)C(=O)[C@@](C)(O)COC 86535508 MNHLAKBQNVFPGK-KOLCDFICSA-N 228.292 0.392 30 20 BCED C[C@H](OC[C@H]1CCCCO1)C(=O)N(C)CC#N 330399082 MLRFOCNPPPLAOP-WDEREUQCSA-N 240.303 0.943 30 20 BCED C[C@H](CCO)N/C(O)=N/C[C@@]1(C)CCOC1 330847105 LVWCZMIINIIMNS-MWLCHTKSSA-N 230.308 0.688 30 20 BCED C=CCN(C(=O)c1ccc(=O)n(C)n1)C1CC1 331996733 QXMNBETXAVSERS-UHFFFAOYSA-N 233.271 0.571 30 20 BCED C#CC[C@H](NC(=O)c1cccc(OC)c1)C(=O)O 149776775 YFXNOJAKHDAXMH-NSHDSACASA-N 247.250 0.902 30 20 BCED CN1CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1 334356009 LZUMVGXDBMWKFQ-ZJUUUORDSA-N 223.320 0.993 30 20 BCED N#C[C@@H]1CN(/C(O)=N/CCn2ccnc2)CCO1 330642646 FCXCDPLJTXWAOJ-SNVBAGLBSA-N 249.274 0.021 30 20 BCED CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CC(O)C1 335139899 PNRDZRSPPWILRI-IZUQBHJASA-N 237.303 0.843 30 20 BCED C=C[C@@](C)(O)CC(=O)N1CCN(C)CC[C@@H]1C 334685268 JJZAMPWWDYMECR-WCQYABFASA-N 240.347 0.866 30 20 BCED N#CCCN1CC[C@H](C(=O)N2CCCC2)C1 335959405 WTOHXEPYGHSZMZ-NSHDSACASA-N 221.304 0.844 30 20 BCED N#CCC1(O)CN(C(=O)[C@@H]2CC=CCC2)C1 335883015 MPGFQFABTFIHGZ-SNVBAGLBSA-N 220.272 0.830 30 20 BCED CCN1CCCN(CC2(C#N)CC2)CC1=O 336523056 NJDUDXLPUUBLRN-UHFFFAOYSA-N 221.304 0.844 30 20 BCED CCN1CCN(c2nccnc2C#N)C[C@H]1C 247602561 LERVQOWUCWTMHY-SNVBAGLBSA-N 231.303 0.879 30 20 BCED C=CCCCC(=O)N1CCN(C(=O)NC)CC1 347930938 XEJHSVVBLKSKAS-UHFFFAOYSA-N 239.319 0.826 30 20 BCED C=C[C@](C)(O)CC(=O)NC1(CCO)CC1 349224746 ONKZBCLJYWZLNF-JTQLQIEISA-N 213.277 0.345 30 20 BCED Cc1ncoc1CN1CCO[C@H](C#N)C1 259644065 GYEXBYUGKVTZIH-SECBINFHSA-N 207.233 0.707 30 20 BCED C[C@H](C#N)NC(=O)[C@@](C)(O)C1CCOCC1 344050867 DVXLYGWOJNKGNL-KCJUWKMLSA-N 226.276 0.192 30 20 BCED C[C@H](C#N)CNS(=O)(=O)N1CCCC[C@H]1C 252100529 GDMXPAYUMZRKHQ-NXEZZACHSA-N 245.348 0.855 30 20 BCED COCCCNC(=S)NN=Cc1ccc[nH]1 254622351 AUHDOQJUVKRWOS-UHFFFAOYSA-N 240.332 0.849 30 20 BCED CC#CCN(C)C(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 341056145 SSAZWLXFGWKWLM-QWRGUYRKSA-N 236.315 0.773 30 20 BCED C=CCOCC(=O)N[C@@H](C)[C@@H](CO)SC 341735810 ZXXPIRIBXIHQKA-DTWKUNHWSA-N 233.333 0.418 30 20 BCED N#Cc1csc(CN[C@]2(CO)CCOC2)c1 184178896 LNTGCNSKLRCTCQ-NSHDSACASA-N 238.312 0.861 30 20 BCED CCOCC(=O)N1CCC(F)(C#N)CC1 359360344 MBOVBHOCGPGABR-UHFFFAOYSA-N 214.240 0.877 30 20 BCED CN(C[C@H](C#N)CCC#N)[C@H]1COC[C@H]1O 352797217 IHKWOOREAMQPIA-GARJFASQSA-N 223.276 0.121 30 20 BCED N#Cc1ccccc1OCC(=O)N1CC[C@H](O)C1 61706161 QQRIOFOQQSAUTP-NSHDSACASA-N 246.266 0.530 30 20 BCED N#CC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC1 602536640 VUFGMRRFIKNXJG-RKDXNWHRSA-N 225.267 0.578 30 20 BCED CC(C)N1CC(=O)N(C[C@H](C)C#N)C1=O 261071645 PLUSXWBUWTVXHL-MRVPVSSYSA-N 209.249 0.819 30 20 BCED C[C@H](C#N)C(=O)Nc1n[nH]c(C2CC2)c1C#N 359728702 ZJWIZKLYRLGHKQ-ZCFIWIBFSA-N 229.243 1.257 30 20 BCED CN(CCC#N)S(=O)(=O)NCC1(C)CC1 358878344 GJHXUYLPJACJIS-UHFFFAOYSA-N 231.321 0.466 30 20 BCED N#CCN1CCC(NCC[C@@H]2CCOC2)CC1 615131678 QKNKOXJBGFTGKL-GFCCVEGCSA-N 237.347 0.991 30 20 BCED C=C[C@H](CO)Nc1cc(CC)nc2ncnn12 357603722 KFLMMFQYWHQXHU-SECBINFHSA-N 233.275 0.646 30 20 BCED CC(C)(C#N)c1ccc(NC(=O)C(N)=O)cc1 353149062 FMQQJSLOUFPAFT-UHFFFAOYSA-N 231.255 0.912 30 20 BCED C=C[C@](C)(O)CC(=O)NC[C@](C)(O)CSC 354627257 AOFQTQGVYKIWFR-QWRGUYRKSA-N 247.360 0.544 30 20 BCED C=C[C@](C)(O)C(=O)NCC1(CO)CCCCC1 612440942 SKZAPLLNGXFIFA-LBPRGKRZSA-N 241.331 0.982 30 20 BCED CN(CC#N)C(=O)c1cccc([N+](=O)[O-])c1N 362483154 SXVZLRSHEGLXLJ-UHFFFAOYSA-N 234.215 0.773 30 20 BCED Cn1cc(C(=O)N2CC[C@@](F)(C#N)C2)ccc1=O 615594106 IBMTZNSBMKQAFM-GFCCVEGCSA-N 249.245 0.463 30 20 BCED N#Cc1ncn(CC(=O)N2[C@H]3CCC[C@H]2CC3)n1 610886210 SNQRRFBRPQSTQC-UWVGGRQHSA-N 245.286 0.693 30 20 BCED CC(=O)NCCCNC(=O)c1ccc(C#N)[nH]1 155650253 ROARAQVWBRJLFL-UHFFFAOYSA-N 234.259 0.142 30 20 BCED C=CCOCCCC(=O)NCCCOCCO 272520497 HSKVXFNXHNAYIF-UHFFFAOYSA-N 245.319 0.484 30 20 BCED C[C@@H](CNC(=O)[C@H](C)C#N)CN1CCOCC1 610011867 ZQLXFFDJKDJSQX-WDEREUQCSA-N 239.319 0.231 30 20 BCED C#CCN(C)C(=O)CC(C)CC(=O)N(C)CC#C 278001977 QYWJMFAFMNCBSR-UHFFFAOYSA-N 248.326 0.586 30 20 BCED CC[C@@H](CO)NC(=O)c1ccc(C#N)[nH]1 275470785 SNVQJACZRQDTHN-ZETCQYMHSA-N 207.233 0.387 30 20 BCED C=CCC[C@H](CO)NC(=O)Nc1cccnn1 454938252 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C#CCO[C@H](C)C(=O)NC[C@@H](CC)OC 296241052 XABJQFFZWVGEFS-NXEZZACHSA-N 213.277 0.566 30 20 BCED C=C(C)COC(=O)[C@H](O)c1cnn(C)c1 809554952 YBERIMKDZHJDMA-SECBINFHSA-N 210.233 0.573 30 20 BCED C#CCN(CC#N)C(=O)CSC1CC1 296328468 UOHYMFDEUIHDGC-UHFFFAOYSA-N 208.286 0.867 30 20 BCED C=C[C@H](CO)NC(=O)[C@](C)(C=C)CCOC 292515585 BIPZDWXCZCQGIJ-ZYHUDNBSSA-N 227.304 0.878 30 20 BCED CO[C@H](C)CNc1ccc(C#N)c(N)n1 563426406 UPWOWMWODJEREJ-SSDOTTSWSA-N 206.249 0.982 30 20 BCED CC#CCNCc1cn(CCn2ccnc2)nn1 641123416 JXXSLOGZJIKYHU-UHFFFAOYSA-N 244.302 0.288 30 20 BCED C=C[C@@](C)(O)CC(=O)NCCCCCCO 290358432 MCAYQLDOCZVRLX-GFCCVEGCSA-N 229.320 0.982 30 20 BCED C#CCN(C)C(=O)NCCC(=O)N[C@H](C)CC 291418029 YKBKQUNQXKBIRQ-SNVBAGLBSA-N 239.319 0.566 30 20 BCED CC[C@](C)(C#N)C(=O)N1C[C@@H](CO)O[C@H](C)C1 299960442 WCWORWGIHKBZHP-JFGNBEQYSA-N 240.303 0.534 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1cc[nH]c1CC 803777710 XGCOQYKLIHQJCX-VIFPVBQESA-N 248.282 0.872 30 20 BCED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)C#N 294593035 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CCO[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1CN 1578155491 MJHZGMNBKPQQNO-FDYHWXHSSA-N 237.347 0.974 30 20 BCED C=CC1(CC(=O)N[C@@H](C)C(F)F)CNC1 1574880815 SYYDOLVQLMBQTE-ZETCQYMHSA-N 218.247 0.922 30 20 BCED N#CC1(C[C@@H](O)CN2CCCNCC2)CC1 1580038036 CXVUCAIDUPXJHE-LLVKDONJSA-N 223.320 0.336 30 20 BCED C#CCN1CCC[C@@H]1COC(=O)CCC(=O)O 1588430082 HBDODDOMVAANQM-SNVBAGLBSA-N 239.271 0.492 30 20 BCED C=CCCO[C@H](C)C(=O)N1CC[C@H]1C(=O)O 1588808689 KQNJZCLIKVHGMM-BDAKNGLRSA-N 227.260 0.653 30 20 BCED C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)C(=O)O 1588443336 ZELXJJHYMYCBKN-SFYZADRCSA-N 215.249 0.150 30 20 BCED N#C[C@@]1(F)CCN(C(=O)[C@H]2[C@H]3CCNC[C@H]32)C1 1580040931 QWZDDYAUIKAHCR-WYFGTUCQSA-N 237.278 0.306 30 20 BCED N#CC[C@@]1(O)CCN(C[C@H]2CC[C@@H](N)C2)C1 1580048000 SKAAZZGPAADHHQ-QJPTWQEYSA-N 223.320 0.464 30 20 BCED C=C[C@@H](OC(=O)C[C@H](C)OC)C(=O)O 1588710883 JQEDERWDYQHDQJ-NKWVEPMBSA-N 202.206 0.594 30 20 BCED N#Cc1c[nH]c(C(=O)Nn2ccccc2=O)c1 1650912388 OFSIETCKIUSNSD-UHFFFAOYSA-N 228.211 0.432 30 20 BCED C=C[C@@H](C(=O)O)N1C[C@@H](C)[C@H](CC(=O)OC)C1 1588669372 JWUIEBHLHRBHBP-BBBLOLIVSA-N 241.287 0.757 30 20 BCED C#C[C@@H](CCC)NC(=O)NC[C@H](F)C(=O)O 1588369817 XLNKYEOZDCNYDB-YUMQZZPRSA-N 230.239 0.510 30 20 BCED C=C(CCC(=O)OC)C(=O)NC[C@H](F)C(=O)O 1588632896 FAZPTUHBVCSFIN-ZETCQYMHSA-N 247.222 0.035 30 20 BCED C=C(CCC(=O)O)C(=O)NC/C=C/CO 1588624421 IDYADDYEDNCNQQ-NSCUHMNNSA-N 213.233 0.072 30 20 BCED C[C@@H](C#N)CNCc1cccc(-c2nn[nH]n2)n1 1588934835 WYGJILWTGQZXNT-QMMMGPOBSA-N 243.274 0.511 30 20 BCED C#CCNCCCN(C)C(=O)c1nccc(C)n1 1754368897 WTUMHFYJWHQLOU-UHFFFAOYSA-N 246.314 0.470 30 20 BCED C=CCO[C@H](C)C(=O)N(C)[C@@H](C)CNC(C)=O 1755999290 OSVHKKKKLRJCCK-VHSXEESVSA-N 242.319 0.561 30 20 BCED C=C[C@@](C)(CC)C(=O)NC/C=C/CNCCO 1754166567 OTWJBDFLZPYUDF-YBJDMEARSA-N 240.347 0.843 30 20 BCED CC[C@](C)(C#N)C(=O)N[C@H](CCF)C(=O)O 1594778404 QVMBAEHYWDRECQ-GMSGAONNSA-N 230.239 0.855 30 20 BCED N#Cc1ccccc1COC(=O)COCC(=O)O 1594628526 ALCRQOSVFCXBOU-UHFFFAOYSA-N 249.222 0.703 30 20 BCED C=CCCC(=O)N(C)C[C@@H](O)CNCCF 1755774279 BWLCXTBUFLQMCM-JTQLQIEISA-N 232.299 0.331 30 20 BCED C#CCCN1CC(CNC(=O)[C@H](C)OCC)C1 1753397900 VGAVVHAVKYSQIT-NSHDSACASA-N 238.331 0.483 30 20 BCED CC(C)[C@H](C#N)NC(=O)C1(C(=O)O)CC1 1591852029 AKNGGTBFOMYAQH-ZETCQYMHSA-N 210.233 0.516 30 20 BCED CC(C)NC(=O)N1CCC(C#N)(C(=O)O)CC1 1591647488 PUWBPDLSJVHNIQ-UHFFFAOYSA-N 239.275 0.795 30 20 BCED C[C@H]1C[C@@H]1C(=O)N(CC#N)CCC(=O)O 1594271183 GLZYZOLLPFLFOB-YUMQZZPRSA-N 210.233 0.469 30 20 BCED O=C(O)CNN=C1CCOCC12CCC2 1776078642 JHOYNHZIHZPCDI-UHFFFAOYSA-N 212.249 0.607 30 20 BCED C=CCN(C)C(=O)c1ccc(OC)nn1 161624689 DIVZYTSHMAFTGN-UHFFFAOYSA-N 207.233 0.743 30 20 BCED C#CCNC(=O)NOCCC(F)(F)F 153512096 LLIJFJHWFMCFRV-UHFFFAOYSA-N 210.155 0.803 30 20 BCED C#CCNC(=O)N[C@H](C)C(=O)NC(C)(C)C 154578930 HZIYHPHOPVNRCB-MRVPVSSYSA-N 225.292 0.222 30 20 BCED C#CCN1CC[C@@H](NC(=O)c2ccc(C)n2C)C1 1010173091 YHYVQVJBVKUZGN-GFCCVEGCSA-N 245.326 0.771 30 20 BCED C=CCN1CC(NC(=O)c2nocc2C)C1 1031209129 UQYZSFGTBSFPCL-UHFFFAOYSA-N 221.260 0.583 30 20 BCED C#CCN1CC(CNC(=O)c2ccc(C)nn2)C1 1031658181 RTDJJGRERXTIFK-UHFFFAOYSA-N 244.298 0.080 30 20 BCED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(F)F 1032247192 KWNLLNUCZMBNGL-IUCAKERBSA-N 228.242 0.560 30 20 BCED C#CCN1CC[C@H](N(C)C(=O)c2coc(C)n2)C1 1033026435 OSTLNLIBKJGUJT-NSHDSACASA-N 247.298 0.763 30 20 BCED C#CCCN1CC[C@@H]1CNC(=O)c1cncnc1 1038179325 FQIWBIMOYPIYMC-GFCCVEGCSA-N 244.298 0.304 30 20 BCED C=CCN[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C 1054481159 VDXIJRTVRMPHAW-NXEZZACHSA-N 235.287 0.911 30 20 BCED COCCN1[C@@H](C)CN(C(=O)CC#N)C[C@H]1C 844021720 QPFCSTZAEYVQRE-PHIMTYICSA-N 239.319 0.468 30 20 BCED C#CCCN(CCOCCO)C1CCC1 852289801 CPEXUZUGYRJSPT-UHFFFAOYSA-N 211.305 0.873 30 20 BCED N#CCCN(CCC#N)C(=O)C(F)F 236126489 VSTQMJFVINHUDM-UHFFFAOYSA-N 201.176 0.907 30 20 BCED CN(C)C(=NCC(C)(C)S(C)(=O)=O)N(C)C 304717610 NNJMKZSBMZALPD-UHFFFAOYSA-N 249.380 0.289 30 20 BCED C#CCCCCNC(=O)Cc1cnn(C)c1 156538640 QTANHVWMVGXYJH-UHFFFAOYSA-N 219.288 0.882 30 20 BCED C=CCCS(=O)(=O)N1CC[C@@H](N)[C@@H](C)C1 261592021 VRJBQAJCLIWAHJ-VHSXEESVSA-N 232.349 0.561 30 20 BCED CNC(=O)CCC/N=C(\N)Nc1ccccc1 264098608 NFYTVUFGAPONLV-UHFFFAOYSA-N 234.303 0.939 30 20 BCED CC(=O)N1CC(NC(=O)C2(C#N)CCCCC2)C1 173032770 PCAXFMVQVXWBFM-UHFFFAOYSA-N 249.314 0.807 30 20 BCED CC(C)[C@@H](O)CCN=c1cc[nH]c(C#N)n1 565221311 IBMUVXUYBLQWJS-VIFPVBQESA-N 220.276 0.589 30 20 BCED Cc1cnn(C)c1CN1CCO[C@@H](C#N)C1 289286319 GQNWHYWVCVKHIC-JTQLQIEISA-N 220.276 0.453 30 20 BCED CN(CCC#N)c1ncc([N+](=O)[O-])c(N)n1 301600969 IYLVPMFCRHNQJA-UHFFFAOYSA-N 222.208 0.317 30 20 BCED N/C(=N/CCn1cccn1)N1CCCCC1 303888364 OXAMBSOINGULHO-UHFFFAOYSA-N 221.308 0.684 30 20 BCED C=CCNC(=O)[C@@H](C)N1CCC[C@](C)(CO)C1 305223868 NIEBWSWRWOKMOU-YPMHNXCESA-N 240.347 0.772 30 20 BCED CCN(CC)/C(N)=N/Cc1cnn(C)c1C 305672329 ILIBQSPNWYSZAL-UHFFFAOYSA-N 223.324 0.885 30 20 BCED N#Cc1cncc(N[C@H]2CCCCNC2=O)n1 401311954 DZWJCRZFLHPJSG-VIFPVBQESA-N 231.259 0.429 30 20 BCED Cc1cc(N2CCNC(=O)[C@H]2C)cc(C#N)n1 308269835 GHVWPWJJBGTADZ-SECBINFHSA-N 230.271 0.586 30 20 BCED Cc1nc(C#N)cc(N2CCC(O)CC2)n1 308369402 JZDCCYISIQNEEY-UHFFFAOYSA-N 218.260 0.618 30 20 BCED C#CCOC(=O)c1cnn(C(C)C)c1N 308837352 LUPBPVNJXAJQCD-UHFFFAOYSA-N 207.233 0.836 30 20 BCED Cn1ccc(C(=O)N2CC(C)(C#N)C2)n1 619510578 BOVQIKLCZZKPLQ-UHFFFAOYSA-N 204.233 0.406 30 20 BCED N#Cc1nccnc1N1CCOCC2(CC2)C1 329281419 DZZALDCRKXGINX-UHFFFAOYSA-N 230.271 0.965 30 20 BCED CC[C@H](C#N)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 355767300 FGJOPSUBFLOYRM-ZYUZMQFOSA-N 208.261 0.830 30 20 BCED CC(C)(C#N)CCCN1C[C@@H](CO)[C@H](CO)C1 528604458 JSZOCNGZBRIYRK-RYUDHWBXSA-N 240.347 0.849 30 20 BCED O/C(=N/C[C@@]1(O)CCSC1)c1csnn1 329984948 CROPETDXFGMPAP-QMMMGPOBSA-N 245.329 0.711 30 20 BCED CC[C@](C)(C#N)C(=O)N1CC(N(C)C)C1 336337252 MUDLJYKYZSBPNO-LLVKDONJSA-N 209.293 0.699 30 20 BCED CCN(CCOCCO)CC1(C#N)CC1 337431414 FSGHVTPWGCVTRJ-UHFFFAOYSA-N 212.293 0.621 30 20 BCED C[C@H]1CCC[C@@H](C(=O)NCC#CCO)C1 339194472 DNYNBLVQHYSRDV-WDEREUQCSA-N 209.289 0.925 30 20 BCED C[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])c[nH]1 340433451 DMIJVIYMYPSTSD-YFKPBYRVSA-N 208.177 0.565 30 20 BCED N#CCCC[C@H](N)C(=O)N(CCO)CC1CC1 688375113 MPZWBFXVCFXMSP-NSHDSACASA-N 239.319 0.238 30 20 BCED N#Cc1nccnc1N1C[C@H]2CC[C@@H](O)[C@H]2C1 712253367 AILONQZFTSRUSI-WCABBAIRSA-N 230.271 0.555 30 20 BCED C#CCC[C@@H](O)CNc1ncnc(N)c1OC 717957312 WVVSACBQPDUFEE-MRVPVSSYSA-N 236.275 0.254 30 20 BCED C[C@@H]1CNC[C@H]1Nc1cncc(C#N)n1 721905266 UOBLXFXFDZZAPT-VXNVDRBHSA-N 203.249 0.368 30 20 BCED C=C[C@H](NC[C@]1(OC(C)C)CCOC1)C(=O)O 722353012 MWZNAJWMGOOXEH-CMPLNLGQSA-N 243.303 0.799 30 20 BCED C#CC1(O)CN(CC=C(Cl)Cl)C1 934450728 PNGOVPLLZCACSG-UHFFFAOYSA-N 206.072 0.985 30 20 BCED C#C[C@](C)(CC)NC(=O)c1ccc(=O)n(C)c1 854700918 HIGIVBQSWGYNSH-CYBMUJFWSA-N 232.283 0.917 30 20 BCED N#CC1(CS(=O)(=O)N2C[C@H]3C[C@@H]3C2)CC1 885378094 YCHGZPHFVCEXAT-RKDXNWHRSA-N 226.301 0.572 30 20 BCED CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 971211068 MQMDDGPEAVNVSP-VHSXEESVSA-N 209.293 0.699 30 20 BCED C#CCNCC(=O)NCC[C@H]1CCCC[C@H]1O 1342833209 RHMRYPCVRLPCLB-VXGBXAGGSA-N 238.331 0.267 30 20 BCED C#CCN(CC(=O)O)C(=O)[C@@H](C)OCC(C)C 1588397878 XLRPRRKMKSEUQK-SNVBAGLBSA-N 241.287 0.594 30 20 BCED C=CC[C@@H](CO)CNC(=O)c1cc(C)[nH]n1 342151436 AJWORPAEWPCGRA-SECBINFHSA-N 223.276 0.633 30 20 BCED C[C@H](CC#N)N(C)C(=O)c1ccc[n+]([O-])c1 103443140 MBKNZTIDBJVJLQ-SECBINFHSA-N 219.244 0.694 30 20 BCED N#CC1(C(=O)N2CC[C@H](C(N)=O)C2)CCCCC1 57432377 HBCREMLZLAZEJL-JTQLQIEISA-N 249.314 0.794 30 20 BCED N#CCCCNS(=O)(=O)C[C@@H]1CCCCO1 343987941 YAUNMCXKZXFREO-JTQLQIEISA-N 246.332 0.779 30 20 BCED CO[C@@H](C)/C(N)=N/OCc1cc(C)no1 178293669 JUPKPKYWSJCOJJ-ZETCQYMHSA-N 213.237 0.807 30 20 BCED CCOC(=O)/C=C/Cn1cc(C#N)ccc1=O 310103078 YTOJWYHJBORXMP-ONEGZZNKSA-N 232.239 0.839 30 20 BCED C#CCCCCC(=O)N[C@H](CCOC)C(=O)O 300461454 BNOGEKDLRPOOIE-SNVBAGLBSA-N 241.287 0.786 30 20 BCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)C#N 347094639 CDYFDJIZEQFTRY-DTWKUNHWSA-N 246.332 0.428 30 20 BCED C=CCNC(=O)C(=O)Nc1cnn(CC2CC2)c1 177796132 NKYJVVJAJHVBGQ-UHFFFAOYSA-N 248.286 0.534 30 20 BCED N#Cc1cccc(C#N)c1N1CCNC(=O)C1 302424862 JWHJFTUEKDBSJK-UHFFFAOYSA-N 226.239 0.366 30 20 BCED C[C@H](CO)NC(=O)CCc1ccc(C#N)cc1 303054292 YVZJLZKJXKLRHC-SNVBAGLBSA-N 232.283 0.988 30 20 BCED C#CC[C@@H](C)OC(=O)[C@@H]1CCNC(=O)C1 122310985 NVCOMTRRVNCUDP-RKDXNWHRSA-N 209.245 0.468 30 20 BCED CC/N=C(\NCC)NCC(C)(C)C(=O)NCC 305179634 HBSMBNVZOZNCAJ-UHFFFAOYSA-N 242.367 0.724 30 20 BCED CNC(=O)[C@H](C#N)C(=O)CC[C@H]1CC[C@H](C)O1 173990182 DQRZCHGPEILJES-IVZWLZJFSA-N 238.287 0.789 30 20 BCED C=C[C@@H](C(=O)O)N1CCC[C@@](C)(O)CC1 301045298 NKNUJNXFAMXPOD-GXSJLCMTSA-N 213.277 0.863 30 20 BCED C=C[C@@H](NCc1c(C)nn(C)c1C)C(=O)OC 304189500 AWDZVGMIUDHJLU-LLVKDONJSA-N 237.303 0.854 30 20 BCED C=CCN(CC=C)C(=O)CN(C)CC#N 68972877 NUHVAXCMCCFRQQ-UHFFFAOYSA-N 207.277 0.642 30 20 BCED COCCO[C@H]1CCN(c2cncc(C#N)n2)C1 519543835 PKCOJYBIKIETTM-NSHDSACASA-N 248.286 0.590 30 20 BCED CC[C@@H](C)OCC(=O)N[C@](C)(C#N)COC 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C=CCC1(O)CN(C(=O)[C@H](OC)C2CC2)C1 720852306 CXTKDPJREFODLW-SNVBAGLBSA-N 225.288 0.561 30 20 BCED N#CCCNC(=O)CN1CCC[C@@H]1C1CC1 728571767 MRMFOXBZMNZNSP-LLVKDONJSA-N 221.304 0.891 30 20 BCED C=CCOCC(=O)OCC(=O)NCC(C)C 729763517 PFQWSNBOAONNPM-UHFFFAOYSA-N 229.276 0.504 30 20 BCED C[C@H](C#N)C(=O)N1CCC[C@H](C2OCCO2)C1 736671230 CPMUAFMDFDOPOU-ZJUUUORDSA-N 238.287 0.758 30 20 BCED Cn1cc(/C=C2/CCc3c(cnn3C)C2=O)nn1 741469348 ZOSKCPLTUDXMOD-YVMONPNESA-N 243.270 0.761 30 20 BCED Cc1cc(OCC(=O)N(CC#N)CC#N)no1 749603611 JKVWNAONEMDPIO-UHFFFAOYSA-N 234.215 0.238 30 20 BCED C#CCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O 752854495 HAUOIBVJVCNVSY-NXEZZACHSA-N 217.334 0.763 30 20 BCED C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCCC#N 753772151 OFCJLJGHGBCCKR-SFYZADRCSA-N 210.233 0.215 30 20 BCED C=CCNC(=S)NN=C(C)c1nccn1C 755497860 SWWDTKQGSPGFLM-UHFFFAOYSA-N 237.332 0.794 30 20 BCED CC(C)C=NNc1ccc(S(N)(=O)=O)cn1 755636166 NLHOHELLMSLMLP-UHFFFAOYSA-N 242.304 0.783 30 20 BCED CC(=NNC1CCOCC1)c1nccn1C 755765697 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C#C[C@@H](C)N(C)C(=O)[C@H]1CCc2nnc(C)n2C1 769645091 UOQBDSYAFOGGPN-KOLCDFICSA-N 246.314 0.629 30 20 BCED C#Cc1ccccc1C(C)=NOCC(N)=O 771575987 NNKOFFFCHPWDDN-UHFFFAOYSA-N 216.240 0.894 30 20 BCED CNC(=O)[C@H](C#N)C(=O)Cc1ccco1 772639541 HLFFXMYCEUEFTA-MRVPVSSYSA-N 206.201 0.277 30 20 BCED CON=CC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 774383802 YVFUEKUZLZUKSY-MNOVXSKESA-N 241.335 0.855 30 20 BCED CC(C)(C)[C@@H](O)C(=O)N1CCSC[C@H]1C#N 775575686 FPUPFSMEXCLASE-BDAKNGLRSA-N 242.344 0.861 30 20 BCED CN1C(=O)CN(CN2CCC(C#N)CC2)C1=O 776203002 PSBJNFRIYZWNNF-UHFFFAOYSA-N 236.275 0.073 30 20 BCED C[C@@H]1CC(=NC(=O)C(C)(C)S(C)(=O)=O)NO1 777435713 KAIWIJVUXHTMQF-ZCFIWIBFSA-N 248.304 0.048 30 20 BCED C#CCNC(=O)CN(C)C[C@@H]1CCCC[C@H]1O 778247759 XTMDRMNKXORASZ-NWDGAFQWSA-N 238.331 0.219 30 20 BCED Cc1onc(CC(=O)NN2CCCCC2)c1C#N 779542883 UDTBBXWNQUPRPN-UHFFFAOYSA-N 248.286 0.914 30 20 BCED C=C(C)CNC(=S)N[C@@H](C)c1ncn(C)n1 780214129 ZDRVARRATQGLAK-QMMMGPOBSA-N 239.348 0.916 30 20 BCED 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COC(=O)[C@H]1C[C@@H](NC(=O)[C@]2(C#N)C[C@@H]2C)C1 412783904 YIYZLXQFNFGEHT-UOKLYIGXSA-N 236.271 0.604 30 20 BCED C#CCOCCC(=O)N(C)[C@@H](C)C[S@@](C)=O 135648211 AGPZWEUQPXZUJD-QFYYESIMSA-N 245.344 0.252 30 20 BCED C=CCN(CC=C)C(=O)CN(C)C(C)(C)CO 134846693 XBIYZOJYWKRQFY-UHFFFAOYSA-N 240.347 0.890 30 20 BCED C#CCNC(=O)[C@@H](C)N1CCC(C)CC1 42287172 ZEICGBCYPDTSFV-LLVKDONJSA-N 208.305 0.856 30 20 BCED CCC(=O)N1CC[C@H](/N=C(/O)N2CCCO2)C1 329668465 QZVJZGXPVJVHEW-VIFPVBQESA-N 241.291 0.549 30 20 BCED CN(C)C(=O)CNc1ncc([N+](=O)[O-])cc1C#N 48936482 INTUEPZTPSMXPW-UHFFFAOYSA-N 249.230 0.362 30 20 BCED C[C@@H]1C[C@@H]1C/N=C(/O)NCC1(CO)COC1 328602990 HJFBJEVQEDJVID-RKDXNWHRSA-N 228.292 0.155 30 20 BCED Cc1cnc(C/N=C(/O)[C@H]2COCCN2C)o1 328955076 IRHZDXXGRDEDRF-SECBINFHSA-N 239.275 0.770 30 20 BCED CN1C[C@H](C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1=O 424975303 HPYHBHRLVLEJBF-IVZWLZJFSA-N 235.287 0.273 30 20 BCED N#CCNC(=O)c1cccc(-n2cccn2)n1 135428366 SMLDEVAKQCJPAU-UHFFFAOYSA-N 227.227 0.521 30 20 BCED C[C@@H](NC(=O)c1ccccc1OCC#N)C(N)=O 194079879 SUVOVLBDQBZHDN-MRVPVSSYSA-N 247.254 0.193 30 20 BCED N#CC1(COC(=O)c2nccnc2N)CC1 381350792 BMDMYUWHCNVKFX-UHFFFAOYSA-N 218.216 0.519 30 20 BCED C=CCCS(=O)(=O)NCc1cncn1C 290283968 VVRRAAFLMJKCSY-UHFFFAOYSA-N 229.305 0.416 30 20 BCED C#CCN(CC(=O)O)C(=O)c1cccnc1 86140087 KDQGHWJWKLYYSF-UHFFFAOYSA-N 218.212 0.242 30 20 BCED N#CCC1(O)CN(C(=O)C2(O)CCCCC2)C1 193971159 NUHMZKABGSMKLK-UHFFFAOYSA-N 238.287 0.169 30 20 BCED CN(CCC#N)CC(=O)NCC1CCC1 83217613 KUPLYWNKSMXMQO-UHFFFAOYSA-N 209.293 0.748 30 20 BCED N#CC1(C(=O)NCCc2ncn[nH]2)CCCCC1 80626667 IXMKTRFCBKSIES-UHFFFAOYSA-N 247.302 0.937 30 20 BCED COCCO[C@@H]1COCC[C@@H]1NCCC#N 515166853 LEBDEALDMPNVSI-WDEREUQCSA-N 228.292 0.310 30 20 BCED CC[C@@]1(C)C[C@H]1C(=O)N1CC(O)(CC#N)C1 335102185 FNPPUQNRZWOWFL-ONGXEEELSA-N 222.288 0.910 30 20 BCED CCN1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1=O 334671363 GMGAVFLXWQOHAM-SECBINFHSA-N 246.270 0.237 30 20 BCED C=C[C@H](C)NC(=O)NCCC[S@](C)=O 332502592 URPFCOWJWZLBQC-RTHLEPHNSA-N 218.322 0.629 30 20 BCED COC(=O)c1cc(C(=O)NC2(C#N)CCC2)c[nH]1 331805833 SXCSQLMMQBIEHA-UHFFFAOYSA-N 247.254 0.977 30 20 BCED C=C(C)[C@@H](CC(=O)NC1(C(N)=O)CC1)OCC 339435453 ATERIBHQMNMFON-SECBINFHSA-N 240.303 0.492 30 20 BCED Cc1nn(C)c(C)c1[C@H](C)C(=O)NCC#N 330477773 WUOCBYHQMPOAPF-ZETCQYMHSA-N 220.276 0.780 30 20 BCED CN(CC#N)C(=O)[C@H]1CCCc2nn(C)cc21 336040295 ZCIZUWGVGZMFHW-VIFPVBQESA-N 232.287 0.822 30 20 BCED N#Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c[nH]1 335866943 LIICJSNJHVFXTK-SNVBAGLBSA-N 244.298 0.853 30 20 BCED CC#CCC/N=C(/O)Nc1cc(C)n(C)n1 330902263 XIHOPQCBRGILFK-UHFFFAOYSA-N 220.276 1.468 30 20 BCED C[C@@H](CO)N(C)C(O)=Nc1ccncn1 331068693 RFMJRKYGULGNOY-ZETCQYMHSA-N 210.237 0.335 30 20 BCED C=CCN1CC[C@@H](N2CCOCC2)[C@H]1C 336626102 AWJFXIAZFOKYJI-VXGBXAGGSA-N 210.321 0.967 30 20 BCED C[C@@H](C#N)NS(=O)(=O)c1cncc(Cl)c1 339412941 LEILUPQEOVGDAV-LURJTMIESA-N 245.691 0.925 30 20 BCED N#CCCCNC(=O)NCCC1CC(O)C1 433412321 SNKXILWXPJXOMI-UHFFFAOYSA-N 225.292 0.750 30 20 BCED COC[C@@](C)(C#N)NC(=O)C[C@@](C)(O)C1CC1 331737171 CBVGATIPSNDVJT-VXGBXAGGSA-N 240.303 0.582 30 20 BCED C=CCOCC(=O)N1CC[C@@H](C)[S@@](=O)CC1 430354064 DOFRPOUSWOZQHG-HWPZZCPQSA-N 245.344 0.559 30 20 BCED COCCCS(=O)(=O)N(C)CC(C)(C)C#N 432255742 DWFQCIMZOCETJB-UHFFFAOYSA-N 248.348 0.834 30 20 BCED C=C(C)CN(C)C(=O)CCn1cnccc1=O 345734535 KCCLVEGGYDRBHI-UHFFFAOYSA-N 235.287 0.668 30 20 BCED C=CCOCC(=O)N[C@H](C)[C@H](CO)SC 341735809 ZXXPIRIBXIHQKA-BDAKNGLRSA-N 233.333 0.418 30 20 BCED Cn1nccc1CCn1ccn2ncc(C#N)c12 601925761 IEMKMYZPLPXQIS-UHFFFAOYSA-N 240.270 0.984 30 20 BCED C=C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 348030334 XDXJKQVELAIFQS-ZCFIWIBFSA-N 238.247 0.941 30 20 BCED C=C[C@@H](C)NC(=O)[C@H]1CCc2nncn2C1 342830885 WTHGOJQZIGXJLH-BDAKNGLRSA-N 220.276 0.531 30 20 BCED C=C[C@@H](CO)NS(=O)(=O)CCC1CC1 349804193 UDAKLBFGENKFPG-VIFPVBQESA-N 219.306 0.253 30 20 BCED C=C[C@@H](C(=O)OC)n1cc(Cn2cccn2)nn1 603233122 HPIKNSKAPMQEMN-JTQLQIEISA-N 247.258 0.423 30 20 BCED C=CCNC(=O)CN1CCOC[C@@]1(C)CC 340898651 XJWGWUDPCDEMPE-GFCCVEGCSA-N 226.320 0.790 30 20 BCED CCN(CC(=O)N(C)C)C[C@H](C#N)CCC#N 609575012 SLBBCRPQJKHCJT-NSHDSACASA-N 236.319 0.840 30 20 BCED CNC(=O)N[C@@H]1CCN(c2cc(C#N)ccn2)C1 342890392 IMYCLLUGBOVTRB-SNVBAGLBSA-N 245.286 0.461 30 20 BCED N#CCC1(O)CN(C(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)C1 251855913 RAAJJSJSARZMIX-NAKRPEOUSA-N 246.310 0.765 30 20 BCED C=CCOCC(=O)N(CC(=O)OCC)C(C)C 354952394 ZIUGVKRLAXHPHB-UHFFFAOYSA-N 243.303 0.989 30 20 BCED C[C@@H]1OCC[C@@]1(O)CNCc1cccc(C#N)n1 602640939 SMXIENHIHBGIRB-GXFFZTMASA-N 247.298 0.583 30 20 BCED C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)COC 359682401 XHXPKJNELHOBII-MXWKQRLJSA-N 243.303 0.091 30 20 BCED C[C@@H](C#N)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 535300192 WIUNEQFLRRMTMV-DTWKUNHWSA-N 232.287 0.790 30 20 BCED C[C@H]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)C1 444478825 ITKVZADHNYXBIA-IUCAKERBSA-N 233.275 0.455 30 20 BCED CC/N=C(/NCc1noc(C)n1)N[C@@H]1C[C@@H]1C 262463643 GCDMWJHKHLIUNZ-IONNQARKSA-N 237.307 0.842 30 20 BCED C=C[C@H](C)NC(=O)C(=O)c1cccn1C 354841326 JGANVJOHGXGTHB-QMMMGPOBSA-N 206.245 0.899 30 20 BCED C=C[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 356851692 UJBPWCVTPFWVDX-MRVPVSSYSA-N 247.254 0.946 30 20 BCED CC[C@@H](O)CNC(=O)CNc1ccc(C#N)cc1 355740203 FYLXYORZGGTONT-GFCCVEGCSA-N 247.298 0.857 30 20 BCED Cn1ccnc1C/N=C(/N)NCC1CCC1 262007245 RXKFNMCTMLGXMB-UHFFFAOYSA-N 221.308 0.625 30 20 BCED N#CCNC(=O)CCOc1ccc(C(N)=O)cc1 267135426 IQCPLOASZBAQMW-UHFFFAOYSA-N 247.254 0.194 30 20 BCED C=CCN1C(=O)C(=O)N(C[C@@H](F)CC)C1=O 440575693 GOIRYHPCIVWIQM-ZETCQYMHSA-N 228.223 0.711 30 20 BCED C=C[C@H](CO)NC(=O)c1cccc2c1OCO2 356880038 ZLTLGXXVHPRKAH-MRVPVSSYSA-N 235.239 0.692 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)C 448561402 GFOOAUVXSJBQST-MNOVXSKESA-N 226.320 0.645 30 20 BCED C=C[C@@H](O)C(=O)N[C@H]1CC12CCOCC2 615863772 NDVOYLWPRLDENI-BDAKNGLRSA-N 211.261 0.219 30 20 BCED C=CCCNC(=O)[C@@H](OC)c1cnn(C)c1 617618342 LWBBORKZEWQZDM-JTQLQIEISA-N 223.276 0.800 30 20 BCED C=CCOCC(=O)N1C[C@H](C(=O)O)CC[C@H]1C 263128786 FUTKNLOOKHIYNA-NXEZZACHSA-N 241.287 0.901 30 20 BCED Cc1nn(C)c(C)c1C(=O)C(=O)NC1(C#N)CC1 533531875 DYMQJMBDPJXDEO-UHFFFAOYSA-N 246.270 0.392 30 20 BCED C=CCNC(=O)[C@H](C)N1CC[C@@H](n2cncn2)C1 368882079 KZXBXAOJIMOLEY-WDEREUQCSA-N 249.318 0.216 30 20 BCED C=CC[C@H](C)NC(=O)[C@]1(O)CCSC1 270963870 HRMYTHGVZIAVLU-WPRPVWTQSA-N 215.318 0.935 30 20 BCED COC(=O)[C@](C)(O)CNc1nccc(C)c1C#N 361665278 AKCNYSFQEQKBRK-GFCCVEGCSA-N 249.270 0.598 30 20 BCED C=C[C@@](C)(O)CC(=O)N1CC[C@H](COC)C1 279358203 FVWLBQIDWNNYMS-CMPLNLGQSA-N 227.304 0.808 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1[C@H](C)O 618924182 FIMQFPHYEQNONO-UMNHJUIQSA-N 227.304 0.685 30 20 BCED C=C[C@@H](O)C(=O)NC(C)(C)c1nc(C)no1 614589992 DOIGUDNQXVQHCO-SSDOTTSWSA-N 225.248 0.276 30 20 BCED CCO[C@H]1COCC[C@@H]1NC(=O)CCCC#N 360779291 FQPGLJBOZPKACY-QWRGUYRKSA-N 240.303 0.990 30 20 BCED C[C@H](C#N)CNC(=O)Nc1nccn(C)c1=O 542731892 BGTJPNNPPODDBQ-SSDOTTSWSA-N 235.247 0.061 30 20 BCED COC1(CC(=O)N(CC#N)CC#N)CCC1 276614896 MPEYMIBGHLSDHQ-UHFFFAOYSA-N 221.260 0.821 30 20 BCED CC1(O)CN(C(=O)c2ccccc2OCC#N)C1 277782120 QYAJGVBRWDLCEA-UHFFFAOYSA-N 246.266 0.796 30 20 BCED COc1cc(NC(=O)NCCCC#N)ncn1 273288242 UNNDUQBOEZJVTQ-UHFFFAOYSA-N 235.247 0.910 30 20 BCED C[C@H](C#N)CNC(=O)NCC1=CCN(C)CC1 541016311 MRIHKROSKKZUCC-SNVBAGLBSA-N 236.319 0.707 30 20 BCED CCNC(=O)CC(=O)NCC(C)(C)CCC#N 360412269 SCYQFDUHWHQPFB-UHFFFAOYSA-N 239.319 0.959 30 20 BCED C[C@H](C#N)CNC(=O)NC[C@@](C)(O)C1CC1 541946229 HITCUNLMYQDIAX-LDYMZIIASA-N 225.292 0.606 30 20 BCED N#Cc1ccn(CCCN2C(=O)CNC2=O)c1 270268215 QVMRTOMCJURBBA-UHFFFAOYSA-N 232.243 0.302 30 20 BCED C#CCN1CCOC[C@H]1[C@@H]1CCCC1=O 375231003 XGADNHYLISIHNV-QWRGUYRKSA-N 207.273 0.690 30 20 BCED C#CCN(C(=O)N[C@@H](C)C[S@@](C)=O)C1CC1 274119865 MSPOJBYLOAREGQ-XXFAHNHDSA-N 242.344 0.561 30 20 BCED C=CC[C@H](C)NC(=O)c1cccc(C(N)=O)n1 543821749 SBLHKTVIWASNDD-QMMMGPOBSA-N 233.271 0.875 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)CC(N)=O 469455103 RBTXEWJUTPHLNI-FXPVBKGRSA-N 240.303 0.348 30 20 BCED C#CCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 286509840 SSXOCENFWQXMQW-LLVKDONJSA-N 249.314 0.274 30 20 BCED C#CCN(C(=O)C[C@@H]1CCCC(=O)N1)C1CC1 289600228 AGLANZMQYUVQPY-JTQLQIEISA-N 234.299 0.669 30 20 BCED C=CCCCNC(=O)NCCN1CC[C@H](O)C1 637102173 MUHDYOZHBFHFQR-NSHDSACASA-N 241.335 0.318 30 20 BCED N/C(CCO)=N\OCC[C@H](O)c1ccccc1 288457615 GCWXRVNMERPXOZ-NSHDSACASA-N 238.287 0.781 30 20 BCED CC#CC(=O)N1CCC[C@@]1(C)C(=O)OC 283837895 VAERDFMTVPSFLO-NSHDSACASA-N 209.245 0.564 30 20 BCED CCc1nnc(S)n1N=Cc1cnccn1 807948104 WGRQKXTVDUHWIJ-UHFFFAOYSA-N 234.288 0.801 30 20 BCED C=CCn1cc(CN[C@H]2CCNCC[C@H]2C)nn1 566103824 NCTPOOMRRODBHP-YPMHNXCESA-N 249.362 0.942 30 20 BCED CC#CCN(C)C(=O)c1c[nH]c(C#N)c1 294572930 OGDCKNZJDHNSFH-UHFFFAOYSA-N 201.229 0.982 30 20 BCED C#CCN(CC#N)S(=O)(=O)CCCC=C 292392451 SFSSDNJEGBYDFD-UHFFFAOYSA-N 226.301 0.741 30 20 BCED C=CCNC(=O)CN1CCC([C@H](C)CO)CC1 649805374 UDSQKQOQNCBFPM-LLVKDONJSA-N 240.347 0.629 30 20 BCED 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30 20 BCED C[C@H](O)C(=O)Nc1ccc(OCC#N)cc1 1116739669 SHUBHJOORQIDEJ-QMMMGPOBSA-N 220.228 0.908 30 20 BCED N#Cc1ccc(NC(=O)N2CCC[C@H]2CO)nc1 889225480 UFUBNSHUTBMINW-JTQLQIEISA-N 246.270 0.942 30 20 BCED CN(CCn1cccn1)c1ccc(C#N)nn1 159682769 ZBIQDHSLQHQJRZ-UHFFFAOYSA-N 228.259 0.681 30 20 BCED COc1cc(CC(=O)NCC#CCO)ccc1C 282819052 CEQVQYIKWPOAMS-UHFFFAOYSA-N 247.294 0.658 30 20 BCED C=CCNC(=O)CN1CCC(CCO)CC1 400927297 MPBOSJQRXCIFBX-UHFFFAOYSA-N 226.320 0.383 30 20 BCED N#Cc1ccncc1N1C[C@@H](O)C[C@@H](C(=O)O)C1 401888709 RCIQSJWXODZAGC-ZJUUUORDSA-N 247.254 0.225 30 20 BCED CC(C)(C#N)CCCN1C[C@@H](O)[C@@H](CO)C1 316384968 NITOSIAKIGVUEW-GHMZBOCLSA-N 226.320 0.601 30 20 BCED CCC(C#N)(CC)C(=O)N1C[C@@H](O)[C@H](CO)C1 317569108 OMEZUZZYOYILEN-VHSXEESVSA-N 240.303 0.128 30 20 BCED C=CCC[C@H](CO)NCc1cncn1C 320458518 KYERXGXBEPJCGA-SNVBAGLBSA-N 209.293 0.837 30 20 BCED N#Cc1cc(N2CCOC[C@H]2C2CC2)ncn1 526253481 YWUMJUQKTVBJQM-NSHDSACASA-N 230.271 0.963 30 20 BCED CN(CC(C)(CO)CO)C(=O)C1(C#N)CCC1 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20 BCED CC(C)NC(=O)CN(C)CCO[C@H](C)C#N 304214306 FXZPVYWEQFMUPX-SNVBAGLBSA-N 227.308 0.371 30 20 BCED C=C(C)COCCNC(=O)[C@@H]1CCC(=O)NC1 126051470 ACOAMERJGQEIRZ-SNVBAGLBSA-N 240.303 0.222 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](C)C[S@](C)=O 252949631 ODSSDXNGQPHSHY-GIHMMQTOSA-N 216.306 0.419 30 20 BCED C=CCOCC(=O)N1CCC[C@@H](CO)[C@H]1C 414073201 OAQBMHVBXJCVNO-MNOVXSKESA-N 227.304 0.808 30 20 BCED C#CCNC(=O)[C@@H](C)OC[C@H]1CCCO1 70781772 WJOGGNSVFYZQGH-NXEZZACHSA-N 211.261 0.320 30 20 BCED C#CCNC(=O)CN1CCCC[C@@H]1C[C@H](C)O 123895656 KXLVXAKHSMBTGN-NWDGAFQWSA-N 238.331 0.361 30 20 BCED C[C@@H]1OCCN(S(=O)(=O)CCCC#N)[C@H]1C 121963981 RSTAZIYCBDGMIW-UWVGGRQHSA-N 246.332 0.729 30 20 BCED C=CCNC(=O)N[C@@H]1CCN(C(=O)OCC)C1 184722180 AUZNOOBCGADJBV-SECBINFHSA-N 241.291 0.702 30 20 BCED CCOCC(C)(C)C/N=C1/NCCN1C 261538607 YSIMHMJNFHHRFF-UHFFFAOYSA-N 213.325 0.940 30 20 BCED C=CCNC(=O)CNC(=O)c1coc(C)c1 189024885 YKNLPPHUQIFDRH-UHFFFAOYSA-N 222.244 0.620 30 20 BCED C=CC[C@H](C)NC(=O)[C@@]1(COC)CCNC1 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214.290 0.575 30 20 BCED CC(C)N1C[C@H](NC(=O)C2(C#N)CCC2)CC1=O 334428451 SKENORISHAPCLI-SNVBAGLBSA-N 249.314 0.806 30 20 BCED CSCCC/N=C(/O)N[C@H]1CCCNC1=O 330853125 QZMSJGZLAGYDOG-QMMMGPOBSA-N 245.348 0.522 30 20 BCED Cc1nn(C)c(C)c1C(=O)Nc1[nH]ncc1C#N 82284649 DLBUOAQFYBDKJS-UHFFFAOYSA-N 244.258 0.884 30 20 BCED C=C(C)CN(C)C(=O)[C@H]1COCCN1C 336381994 ZJLMFFZOJWDZLZ-SNVBAGLBSA-N 212.293 0.352 30 20 BCED Cc1nccc(N=C(O)NC2(C(=N)O)CC2)n1 330159861 RIECMGVBYFZIMV-UHFFFAOYSA-N 235.247 0.988 30 20 BCED C#CCN(C)CCCNCc1ccn(C)n1 382222775 NNBBMHJZYLZGLI-UHFFFAOYSA-N 220.320 0.465 30 20 BCED C[C@H]1C(=O)NCCCN1C(=O)c1ccc(C#N)[nH]1 335731649 MCLVZQUXAJRHFR-QMMMGPOBSA-N 246.270 0.237 30 20 BCED N#CCN(Cc1ncnn1CCF)C1CC1 331532678 SKYAUVTUKPEJKZ-UHFFFAOYSA-N 223.255 0.736 30 20 BCED C=CCOCCN1CCn2cnnc2C1 338973042 PQNOLPSLELXAHI-UHFFFAOYSA-N 208.265 0.296 30 20 BCED CC[C@@H](C#N)C(=O)N1CC(O)(C(C)C)C1 384129053 KXCYOYIVIYOUTM-VIFPVBQESA-N 210.277 0.765 30 20 BCED 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CCOc1nc(C(=O)NC2(C#N)CC2)co1 613956393 KEEVVXJZLFAMCN-UHFFFAOYSA-N 221.216 0.859 30 20 BCED C[C@@H]1CNCCN1c1ccnc(C#N)c1 61812584 WBWNKZLKSAZFRU-SECBINFHSA-N 202.261 0.751 30 20 BCED C=C(C)[C@H](CC(=O)NCC(=O)NCC)OCC 339440036 WVKGLWIVOXDMES-JTQLQIEISA-N 242.319 0.610 30 20 BCED CO[C@@H](C)CNS(=O)(=O)c1ccc(C#N)o1 330689358 VRGZYOIEQAWGQW-ZETCQYMHSA-N 244.272 0.464 30 20 BCED CNC(=O)NCC(=O)Nc1cc(C)cc(C#N)c1 335119076 RFJMQOQOEDLTOI-UHFFFAOYSA-N 246.270 0.734 30 20 BCED Cc1cnn(CC/C(O)=N/Cc2nnn(C)n2)c1 330172843 GTXDPKNHRPXABS-UHFFFAOYSA-N 249.278 0.262 30 20 BCED C#CCN/C(=N/CC)NCc1cnn(C)c1 81820138 WSOHIPYKMMWKKT-UHFFFAOYSA-N 219.292 0.108 30 20 BCED CN1CC[C@@H](C(=O)OCCCC#N)CC1=O 192652957 VOWYIOSQPAQJEW-SECBINFHSA-N 224.260 0.702 30 20 BCED CCn1nncc1/C(O)=N/[C@@H](C)C(=O)N(C)C 330494238 SBXQKAQJDSTZNY-ZETCQYMHSA-N 239.279 0.079 30 20 BCED CC#CC[C@@H](CO)NCc1cc(C)[nH]n1 1119440054 AUYNGQIVZISGRO-JTQLQIEISA-N 207.277 0.582 30 20 BCED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCOC1 267445401 PYYHKMWKDXMXKF-MNOVXSKESA-N 224.304 0.093 30 20 BCED CC[C@H]1CN([C@@H](CC)C(=O)NCC#N)CCO1 330443448 FXMNRRZEYVSVLK-QWRGUYRKSA-N 239.319 0.516 30 20 BCED N#C[C@H]1CCC[C@H]1NC(=O)NCCN1CCC1 332897350 MOXNJMZETRYIFV-GHMZBOCLSA-N 236.319 0.684 30 20 BCED COC[C@@H](C)CC(=O)NC1(C#N)CCOCC1 339978348 WOEGDTSYDRTBJI-JTQLQIEISA-N 240.303 0.848 30 20 BCED C[C@@H](C[C@@H](C)O)NC(=O)c1ccc(C#N)[nH]1 330793616 FFTXXWLUNOXNEW-JGVFFNPUSA-N 221.260 0.776 30 20 BCED C=C[C@](C)(O)CC(=O)N1CC[C@@H](O)C[C@H]1C 346669495 MZXIJPSUJFUIRB-FOGDFJRCSA-N 227.304 0.685 30 20 BCED N#Cc1cscc1C(=O)NC[C@H](O)C(F)F 342963743 ZFXQERADUKTGFJ-ZETCQYMHSA-N 246.238 0.976 30 20 BCED Cn1ccc(NC(=O)N2CCO[C@H](C#N)C2)n1 609322873 WGZGEGZTEKVZOA-MRVPVSSYSA-N 235.247 0.176 30 20 BCED CCCCN(C)CCNC(=O)[C@@H](C)C#N 347119135 WHXROFOLKTWSNS-JTQLQIEISA-N 211.309 0.994 30 20 BCED C=CCCOCC(=O)Nc1cccc(C(N)=O)n1 607837172 ZJDFNACZRSNZOV-UHFFFAOYSA-N 249.270 0.712 30 20 BCED Cc1nc(C#N)cc(N2CCC(=O)CC2)n1 259804892 NZJLSIZXUCWSIM-UHFFFAOYSA-N 216.244 0.826 30 20 BCED Cc1cc(C#N)cc(NC[C@@H](O)[C@H]2CCOC2)n1 342411774 IKYKCHRZNJWLOR-NWDGAFQWSA-N 247.298 1.071 30 20 BCED Cc1ncc(C(=O)N2CCN(CCC#N)CC2)[nH]1 602209235 XFNZLJKZBXZLQP-UHFFFAOYSA-N 247.302 0.390 30 20 BCED C=C[C@H](C)NC(=O)N[C@H](CO)[C@H]1CCCO1 447966529 WRCRTNDFVWUQIC-IVZWLZJFSA-N 228.292 0.400 30 20 BCED C=CCSCCNC(=O)[C@]1(C)CCNC1=O 602086927 DDXTYYARGJBCRE-LLVKDONJSA-N 242.344 0.548 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(CC)C1 358536652 NOQQFBUDXRFUSL-GHMZBOCLSA-N 241.335 0.317 30 20 BCED C[C@@H]1CCCN(/C(N)=N/Cc2cnnn2C)C1 262342169 YVZWFVZDKKMGGT-SECBINFHSA-N 236.323 0.362 30 20 BCED C=C[C@@H](CO)NC(=O)[C@@H](C)C1CCOCC1 356851763 DYRIDAFMFIHJIW-ONGXEEELSA-N 227.304 0.712 30 20 BCED CC(C)(C#N)CC(=O)NC1(C(N)=O)CCC1 618680051 QRCAMMXSAQVZSH-UHFFFAOYSA-N 223.276 0.450 30 20 BCED Cc1cc(C(=O)N2CC[C@@](F)(C#N)C2)n(C)n1 615581206 JBGAPEFAZSVYQP-LLVKDONJSA-N 236.250 0.806 30 20 BCED C=C(Cl)CNC(=O)c1nonc1C 265499677 CQKQAISIKWZAHQ-UHFFFAOYSA-N 201.613 0.860 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](CO)CC(F)F 614005968 XWFPXBRARHQBBR-RCOVLWMOSA-N 223.219 0.056 30 20 BCED C=CCNC(=O)[C@H](C)Sc1nnc[nH]1 264206593 KWUZXNBUCDPCSP-LURJTMIESA-N 212.278 0.588 30 20 BCED CC#CCCNC(=O)NCC1=CCN(C)CC1 361649168 XXNDEZCVBUWUKM-UHFFFAOYSA-N 235.331 0.961 30 20 BCED C=C(C)[C@H](CC(=O)N1CCNC(=O)C1)OCC 270121254 MIBXZBPUIFYZJS-JTQLQIEISA-N 240.303 0.316 30 20 BCED C=CCCC(=O)N1CCN(CC)C(=O)C1 273379410 GXQHMVFEMBBOGO-UHFFFAOYSA-N 210.277 0.643 30 20 BCED C=C[C@@](C)(O)CC(=O)N[C@H]1CCCCNC1=O 278605893 DDXUFFVIQDKHNJ-JOYOIKCWSA-N 240.303 0.098 30 20 BCED C=CCOCC(=O)N[C@@H]1COC[C@H]1OCC 456792433 KPCJUTOVFJSJNE-NXEZZACHSA-N 229.276 0.109 30 20 BCED C=C[C@@](C)(O)CC(=O)NC(C)(C)C(=O)OC 279240694 QGKPREXGOWVRRD-LLVKDONJSA-N 229.276 0.381 30 20 BCED C=C(C)CCNC(=O)NCC(=O)NC1CC1 455309621 LJZFASJPWWTKIU-UHFFFAOYSA-N 225.292 0.530 30 20 BCED N#Cc1c[nH]c(C(=O)N[C@]2(CCO)CCOC2)c1 278095127 NTARXKCDCSQNMT-GFCCVEGCSA-N 249.270 0.158 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@@H](CC)COC 279227102 PUGQRRFDNDGNSL-ONGXEEELSA-N 215.293 0.855 30 20 BCED C=C(CC)CNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 627684647 VKRXLYFZWOEBPX-BDAKNGLRSA-N 226.276 0.102 30 20 BCED C#CCCCC(=O)NC[C@@H](C)C(=O)OC 277464942 HVRCGXPMRZPGIZ-SECBINFHSA-N 211.261 0.715 30 20 BCED C=CCNC(=O)CNC(=O)NC1CC(F)(F)C1 277427140 HSLPQLWVOLKZLU-UHFFFAOYSA-N 247.245 0.386 30 20 BCED C=C[C@H](O)C(=O)NCc1ccnn1CC 621119708 KLBRGXHGOJIGPN-VIFPVBQESA-N 209.249 0.066 30 20 BCED C=C(C)[C@H]1OCC[C@@H]1CN=C(NC)NC 280656144 WWYOBUCVNJBVSZ-NXEZZACHSA-N 211.309 0.762 30 20 BCED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)C 283284545 GLVBGBUJMVYFPK-NSHDSACASA-N 249.318 0.971 30 20 BCED CO/N=C/C(=O)NCCc1csc(C)n1 282855475 CENSNAAEEIJTDK-VZUCSPMQSA-N 227.289 0.742 30 20 BCED CN(C)CCN(C)Cc1cc(C#N)n(C)c1 289743203 IRGXVKWPOYGORG-UHFFFAOYSA-N 220.320 0.890 30 20 BCED C[C@@H]1CN/C(=N\CCCNc2ccccn2)N1 285091216 NWKQZIZRXHDJAL-SNVBAGLBSA-N 233.319 0.821 30 20 BCED CC#CC(=O)NCc1nnnn1-c1ccccc1 801142156 CLKHWMOVSNWRBO-UHFFFAOYSA-N 241.254 0.302 30 20 BCED N#Cc1cc(N2CCc3n[nH]cc3C2)ncn1 558517086 OHKLXOVJENBJCF-UHFFFAOYSA-N 226.243 0.634 30 20 BCED C=C[C@H](CO)NC(=O)[C@H](C)c1cccnc1 290745708 ZZJAENUSPYJRJI-MWLCHTKSSA-N 220.272 0.848 30 20 BCED CNC(=S)NN=Cc1ccc(O)c(O)c1 382636020 OIBILENBKCBKBT-UHFFFAOYSA-N 225.273 0.526 30 20 BCED C#C[C@@H](C)NC(=O)NCCN(CC)CC 292500681 RBDSIOKWQYUICT-SNVBAGLBSA-N 211.309 0.649 30 20 BCED COC[C@@H](C#N)OC(=O)C[C@H]1CCCC(=O)N1 808687529 SDSFOAAMYZBRAB-RKDXNWHRSA-N 240.259 0.127 30 20 BCED CNC(=O)CCCC(=O)N[C@]1(C#N)CC1(C)C 292499921 OWRAISLSSNSPKQ-LBPRGKRZSA-N 237.303 0.711 30 20 BCED C[C@@H]1CC/C(=C\C(=O)NCC#CCO)C1 294189086 KDFGMBKGOCEDJE-OYVNLZQHSA-N 207.273 0.845 30 20 BCED C#Cc1cncc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)c1 807329916 IMOIEYIXAJRRAQ-OCCSQVGLSA-N 242.278 0.517 30 20 BCED Cn1cc(/C=C/C(=O)NCCC#N)cn1 706376325 YZAZUCAXLXKXDF-ONEGZZNKSA-N 204.233 0.463 30 20 BCED CC#CC(=O)NCc1cccc(C(=O)NC)c1 801130612 XVCACFZSVIZGDP-UHFFFAOYSA-N 230.267 0.686 30 20 BCED C[C@@H](C#N)OCCOC(=O)CN1CCCC1=O 801819658 KOVBYZNKIJXCHH-VIFPVBQESA-N 240.259 0.081 30 20 BCED Cc1[nH]nc2ncc(C(=O)N(C)CC#N)cc12 299506706 IUFSAQBGHPLOFV-UHFFFAOYSA-N 229.243 0.862 30 20 BCED N#CCCCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O 291354476 OKPCEPHCUDUOLV-VHSXEESVSA-N 237.303 0.841 30 20 BCED CSC[C@@H](O)CNCC1(CC#N)CC1 563003489 SUDOSYXZUCGVBK-VIFPVBQESA-N 214.334 0.994 30 20 BCED COC[C@](C)(NC(=O)CCCC#N)C(=O)OC 291239625 BBTPXJJITRMGLO-NSHDSACASA-N 242.275 0.375 30 20 BCED N#CCN(C(=O)c1cc(C(N)=O)cs1)C1CC1 299294279 LYJXYVDGWJVZLO-UHFFFAOYSA-N 249.295 0.975 30 20 BCED C=CCC(C)(C)CNC(=O)Cn1cncn1 647121225 QLAUSJCSPDDFOE-UHFFFAOYSA-N 222.292 0.997 30 20 BCED C=CCn1c(CC)nnc1N1CCNC(=O)CC1 564497777 OJPVJDCQRUHTSD-UHFFFAOYSA-N 249.318 0.353 30 20 BCED C=CC[C@H](CO)CNC[C@@H](O)CN(C)C1CC1 568391932 VQSDSMRSLPJUPU-WCQYABFASA-N 242.363 0.216 30 20 BCED C=CCCN1C(=O)N[C@@H](CCOC)C1=O 656830014 OWVFHEJORVRUOV-QMMMGPOBSA-N 212.249 0.519 30 20 BCED C=CCCn1cc(CN2CC[C@@H](CO)C2)nn1 653558603 LUOBCGAGJSJMHT-LLVKDONJSA-N 236.319 0.668 30 20 BCED C#CCOCCC(=O)N(C)C(C)(C)COC 817030365 LCWSASLRIRIEMF-UHFFFAOYSA-N 227.304 0.910 30 20 BCED CC#CCN(C)C(=O)C(=O)Nc1cccc(F)n1 815882895 PADZYICFMCGAJB-UHFFFAOYSA-N 249.245 0.641 30 20 BCED C=CCCS(=O)(=O)NC[C@H]1C[C@@H](N)C1 710883946 YZXAWECPSISMKQ-DTORHVGOSA-N 218.322 0.219 30 20 BCED C#CCCS(=O)(=O)N1CCC(F)CC1 710843318 UQWCGUHJSABSIS-UHFFFAOYSA-N 219.281 0.773 30 20 BCED Cn1cc(C(=O)C(=O)NCC2(C#N)CC2)cn1 573424484 UTAVJDVBKUANMB-UHFFFAOYSA-N 232.243 0.023 30 20 BCED C=C[C@@H](O)C(=O)Nc1n[nH]c(-c2ccccn2)n1 816887316 WUKDKUCRENTTGH-MRVPVSSYSA-N 245.242 0.352 30 20 BCED C=C(C)CNC(=O)NCc1nnc2n1CCC2 488572541 ZUZCNUXIWKJOTA-UHFFFAOYSA-N 235.291 0.600 30 20 BCED C#CCC[C@@H](O)CNC(=O)c1cccc(C#N)n1 811492995 DXSCMTJFZCTTJN-LLVKDONJSA-N 243.266 0.457 30 20 BCED C[C@@H]1[C@H](C(=O)N[C@@](C)(C#N)CN(C)C)C1(F)F 571527478 XMMJOFNBEFMXJM-MRTMQBJTSA-N 245.273 0.848 30 20 BCED CO[C@@H]1COC[C@H]1Nc1ncc(C#N)cc1F 578862452 AMGCJBCWXNSHFZ-NXEZZACHSA-N 237.234 0.918 30 20 BCED C=CCN(C)C(=O)Cc1cncc(O)c1 570105666 AKSVONPPNDTLHE-UHFFFAOYSA-N 206.245 0.974 30 20 BCED C=CCOCCNC(=O)N1C[C@H](CN)C[C@H]1C 659610566 NNHSHDVGGCOZMD-MNOVXSKESA-N 241.335 0.568 30 20 BCED C#CCN(CC)C(=O)c1cnc(C(=O)OC)cn1 490947700 AONNJUFQUMIXNW-UHFFFAOYSA-N 247.254 0.359 30 20 BCED C#C[C@@H](C)N(C)C(=O)N[C@@H](C)CCN(C)C 491757712 FKKQLOHWDSZMHE-WDEREUQCSA-N 225.336 0.990 30 20 BCED C=C(Cl)CNC(=O)[C@H](C)CC(=O)O 825647587 QMINGUYQDNGJQM-RXMQYKEDSA-N 205.641 0.966 30 20 BCED C=CCN(CCC#N)C(=O)c1[nH]c(O)nc1C 577506646 CEVKADSKOQQSLZ-UHFFFAOYSA-N 234.259 0.966 30 20 BCED C#C[C@@H](CC)NC(=O)c1ccc(C=O)n1C 491496580 RAMFHPHSZSCTFY-VIFPVBQESA-N 218.256 0.979 30 20 BCED C#CCNC(=O)CCN[C@@H]1CCCc2c[nH]nc21 491695758 HXWDZUQUYWLNOR-LLVKDONJSA-N 246.314 0.516 30 20 BCED C#C[C@H](CCC)NC(=O)N[C@@H](CO)CC#CC 820667045 QHHCBLNMUBIAJB-VXGBXAGGSA-N 236.315 0.862 30 20 BCED CC[C@@H](C#N)NC(=O)CCN1CCOC1=O 495536982 HIHZIOMGOTUFHK-QMMMGPOBSA-N 225.248 0.247 30 20 BCED C#CCO[C@H](C)C(=O)NCCCOC(C)C 822199479 SFNYKONNOQWJPH-LLVKDONJSA-N 227.304 0.956 30 20 BCED C#C[C@H](CC)NC(=O)Cn1ccccc1=O 491514524 ILEGFUZWIQVKCA-SNVBAGLBSA-N 218.256 0.376 30 20 BCED C#C[C@H](CC)NC(=O)[C@@H]1COCCN1CC 491313756 AMQPCSNSCPOEMT-MNOVXSKESA-N 224.304 0.235 30 20 BCED C#CC(C)(C)NC(=O)c1c[nH]c(C(=O)OC)c1 491122792 XSFMVFHLPCBWKP-UHFFFAOYSA-N 234.255 0.943 30 20 BCED CN(C)[C@H](CN=c1nc[nH]cc1C#N)C1CC1 580889898 UUWJGHVZTZDSQS-LLVKDONJSA-N 231.303 0.522 30 20 BCED N#Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2N3)ncn1 900431782 QUBCQOHXUYIALE-FKTZTGRPSA-N 215.260 0.653 30 20 BCED C=C[C@H](CO)N[C@@H](C)C(=O)N[C@H](C)CCC 662165798 OZFIGPOHPDUDOM-OUAUKWLOSA-N 228.336 0.816 30 20 BCED C=CCOCC(=O)N1CCC[C@](C)(C(=O)O)C1 909842470 ZPETUOWFCKTFME-LBPRGKRZSA-N 241.287 0.902 30 20 BCED C=C[C@H](O)C(=O)N1C[C@@H](C)OC[C@H]1CC 669267105 OTTZJAATIBUYCK-BBBLOLIVSA-N 213.277 0.559 30 20 BCED C#CCN(CC#N)CCC(=O)N1CCC[C@H]1C 491327840 YGWWDDUWTAQGAR-GFCCVEGCSA-N 233.315 0.846 30 20 BCED C=CCOC[C@H](NCC(C)(C)COC)C(=O)O 901807917 DSIGKLJQZMBBHJ-JTQLQIEISA-N 245.319 0.904 30 20 BCED C=CCOCC(=O)N1CC[C@](F)(C(=O)O)C1 825692057 GFXSOKAPZUYQBY-SNVBAGLBSA-N 231.223 0.214 30 20 BCED N#CC1(NC(=O)C2=COCC2)CCOCC1 734455228 BYXAPOTYCHWFKC-UHFFFAOYSA-N 222.244 0.480 30 20 BCED C#C[C@H](CC)NC(=O)[C@H](C)N1C(=O)CCC1=O 491745514 XFOKETYOQRZJCR-DTWKUNHWSA-N 236.271 0.052 30 20 BCED C#C[C@@H](CC)NC(=O)NC[C@H]1CCCO1 491755063 XQDKCFKZXNKRJT-VHSXEESVSA-N 210.277 0.876 30 20 BCED COCCN1CCN(C(=O)C#CC2CC2)CC1 837413692 KUEPSLBXTPGDRC-UHFFFAOYSA-N 236.315 0.190 30 20 BCED C#CCn1cc(CNC(=O)[C@@H](C)[C@@H](O)CC)cn1 907790461 QJYRXOAABXMTDD-JQWIXIFHSA-N 249.314 0.540 30 20 BCED N#C[C@@H]1CNC[C@@H]1NC(=O)/C=C/c1ccsc1 834499393 IALPUWLWZQAZIK-OIDVMBJGSA-N 247.323 0.989 30 20 BCED CON1CCC(=NN=c2cc[nH]cc2)CC1 834970657 OLKQXNXEAXXGHT-UHFFFAOYSA-N 220.276 0.929 30 20 BCED Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)n1C 834511550 MFKZJDFDIHHQFD-ZJUUUORDSA-N 232.287 0.175 30 20 BCED C#Cc1ccc(C(=O)NC[C@H]2CCN(C)C2)cn1 731233204 SURCAVOGFVLLNC-LLVKDONJSA-N 243.310 0.744 30 20 BCED 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30 20 BCED CN1C[C@H](Nc2cccc(C#N)n2)CC1=O 270027820 GGHDQIJINPJMKK-SECBINFHSA-N 216.244 0.596 30 20 BCED C#CCN(CC)C(=O)[C@]1(O)CCSC1 270873383 UNEUPUWSKFMSHY-JTQLQIEISA-N 213.302 0.336 30 20 BCED C=CCNC(=O)CNC(=O)NC1CC(C)C1 271934344 FMHZJTKIADWQBW-UHFFFAOYSA-N 225.292 0.386 30 20 BCED C#C[C@H](C)NC(=O)NCCn1ccnc1C 274806832 OALYDYMHIYETFO-VIFPVBQESA-N 220.276 0.512 30 20 BCED C=CCN(C)S(=O)(=O)c1cnn(CC)c1 275030739 AEUBHDMUBSWHQL-UHFFFAOYSA-N 229.305 0.710 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(F)(F)CO 280109677 FBZSKMZHKMLWGI-RKDXNWHRSA-N 249.257 0.711 30 20 BCED CCNC(=O)[C@@H](C)NC(=O)c1cc(C#N)oc1C 280679914 ZJFODHHBMZNXDP-SSDOTTSWSA-N 249.270 0.714 30 20 BCED C#C[C@H](NC(=O)NCCCC(=O)NC)C(C)C 281252768 GILMVULNCZWYHI-JTQLQIEISA-N 239.319 0.470 30 20 BCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc[nH]2)C1=O 281742327 OXMATHFDDCZAJZ-LLVKDONJSA-N 247.298 0.874 30 20 BCED CCC[C@](C)(NC(=O)/C=N/OC)C(=O)OC 282881313 BHMDQJSKWREPAL-VUBLIPMDSA-N 230.264 0.467 30 20 BCED CCN(CCOCCO)c1ncccc1C#N 283400569 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CC#CCNC(=O)Cc1nnn(C(C)(C)C)n1 613123115 UPNFZDWKWPDMTG-UHFFFAOYSA-N 235.291 0.110 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@](C)(O)C1CCC1 456769565 QEBCZCJDBRXYGN-DGCLKSJQSA-N 241.331 0.981 30 20 BCED C=C[C@@](C)(O)C(=O)NCc1ccnc(C)c1 615668670 VULYJXGVTGLQGQ-GFCCVEGCSA-N 220.272 0.943 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)COC 454461352 ZJQVNFUAUUOSBW-MXWKQRLJSA-N 242.319 0.912 30 20 BCED CN1CC[C@H](NC(=O)CC(C)(C)C#N)C1=O 278431944 ZHOTVMYOPBMSEZ-QMMMGPOBSA-N 223.276 0.273 30 20 BCED C#C[C@@H](C)NC(=O)CN1Cc2ccccc2C1=O 274653295 DWPWDTQGRXOSDH-SNVBAGLBSA-N 242.278 0.780 30 20 BCED C#C[C@H](C)NC(=O)NCc1ccn(C)c1 274855322 WPGNRZWEGDNERI-VIFPVBQESA-N 205.261 0.846 30 20 BCED C#C[C@H](C)NC(=O)CCCC(=O)N(C)C 274742514 KFTJZBFCWKKYIW-VIFPVBQESA-N 210.277 0.383 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1C[C@@H](O)C1 629256844 YUGSAHAMDLSBIB-KXNHARMFSA-N 239.315 0.807 30 20 BCED CCc1cc(C(=O)NCC#N)c(C)nn1 546086143 YAESXSCRCIWBJW-UHFFFAOYSA-N 204.233 0.601 30 20 BCED CO/N=C/C(=O)NC[C@H](O)c1ccsc1 283512759 SAOGSNZXJMHZED-UASDCXGESA-N 228.273 0.530 30 20 BCED CC[C@](C)(C#N)C(=O)N[C@@H](C)C(=O)NCCF 285931947 LPAQZXMOLDIVIS-GZMMTYOYSA-N 243.282 0.517 30 20 BCED CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)CC#N 286736232 VYZGOWQRFZKOKK-LDYMZIIASA-N 237.303 0.710 30 20 BCED C=CC(C)(C)CNC(=O)COCCOC 385067523 VRRRLDCRMUZDNM-UHFFFAOYSA-N 215.293 0.978 30 20 BCED CC1(C#N)CN(C(=O)Nc2cncnc2)C1 284599137 BNHMKQWBOLVHGH-UHFFFAOYSA-N 217.232 0.854 30 20 BCED C#CCN(C)C(=O)[C@H]1CC[C@H]1C(=O)OC 286576307 UOEPIWMXWAFZLC-DTWKUNHWSA-N 209.245 0.277 30 20 BCED CC#CC(=O)N[C@H](COC)[C@H]1CCCO1 283409005 BVEQJSWUYDIHOX-NXEZZACHSA-N 211.261 0.320 30 20 BCED COC[C@@H](CO)N[C@H](C)CC(C)(C)C#N 709975684 KZYCSSWEQAVDNS-NXEZZACHSA-N 214.309 0.912 30 20 BCED Cc1cc(C#N)cnc1C(=O)Nc1ncn(C)n1 554456898 AYGMLPYWOJLKGW-UHFFFAOYSA-N 242.242 0.643 30 20 BCED C#C[C@@H](C)NC(=O)Nc1ccnc(C)n1 806419895 BIVJYFADGCOUIY-SSDOTTSWSA-N 204.233 0.928 30 20 BCED C=CCNC(=O)C[S@@](=O)C[C@H]1CCCO1 298441918 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20 BCED C#C[C@H](C)N(C)C(=O)C(=O)c1cccn1C 491765910 CQURWYAXLHCGFF-VIFPVBQESA-N 218.256 0.688 30 20 BCED C#C[C@@H](C)N(C)C(=O)/C=C1\SCC(=O)N1C 822473442 XLIDMWBMUKLISC-QKNMJKLUSA-N 238.312 0.513 30 20 BCED C#CCN(C(=O)NCC1(N)CCC1)C1CC1 491429284 TXVXDMCJCYTFMT-UHFFFAOYSA-N 221.304 0.675 30 20 BCED C=CCCCC(=O)O[C@@H](C)C(=O)NCC(=O)O 825671662 ZGFCLKBTODVUEY-QMMMGPOBSA-N 243.259 0.475 30 20 BCED C#C[C@@H](CC)NC(=O)[C@@H]1C[C@@H]1C(=O)OC 490986579 UPEWJXXETUNIJF-YIZRAAEISA-N 209.245 0.324 30 20 BCED C#CCO[C@@H](C)C(=O)NCCCN(C)C(C)C 822487148 JSPNIBCGJSNMMS-LBPRGKRZSA-N 240.347 0.871 30 20 BCED C#CCn1nnc(-c2cccc(OC)c2)n1 491095496 LLBUOQJMKWJMJX-UHFFFAOYSA-N 214.228 0.982 30 20 BCED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CC#N)[C@H]2C1 495189225 GLSLFXJGNVISRO-SDDRHHMPSA-N 249.314 0.663 30 20 BCED C#C[C@H](C)NC(=O)N1C[C@H](CO)OC(C)(C)C1 820395199 UOOHZXOOXJAMOI-VHSXEESVSA-N 240.303 0.189 30 20 BCED C#Cc1cnc(N[C@H](C)C(=O)N(C)CC)nc1 828012432 OZELQPSUSDWRLI-SECBINFHSA-N 232.287 0.737 30 20 BCED C=C[C@](C)(O)C(=O)NCC(=O)NC1CCCC1 667572240 RUOMNRKKZYQUAP-LBPRGKRZSA-N 240.303 0.098 30 20 BCED C#CCCc1noc(CN(C)C(=O)OC)n1 495381960 HOCXBEYQSOJTCY-UHFFFAOYSA-N 223.232 0.834 30 20 BCED C#CCN(CC#CC)C(=O)NCCCNC 491305354 IPZUZXLXMFHJCF-UHFFFAOYSA-N 221.304 0.264 30 20 BCED C=C[C@](C)(O)C(=O)N1CCC(COC)CC1 668644910 DRGQCEDNNUJMAZ-LBPRGKRZSA-N 227.304 0.808 30 20 BCED C#C[C@H](CC)NC(=O)CSc1n[nH]c(C)n1 491626840 MVCARAPDNJLTTN-MRVPVSSYSA-N 238.316 0.733 30 20 BCED C#C[C@@H](CC)NC(=O)Cc1noc(C)c1C#N 491774688 APMAFAYFYCEJFP-VIFPVBQESA-N 231.255 0.925 30 20 BCED C=C[C@@](C)(O)C(=O)NCc1cc(CC)no1 669095362 FFVODGRRDGOBNQ-LLVKDONJSA-N 224.260 0.790 30 20 BCED C=C(C)COC(=O)CCCS(N)(=O)=O 909384935 SUVHTDXCZOXDSH-UHFFFAOYSA-N 221.278 0.174 30 20 BCED C#CC[C@H](NC(=O)/C=C/C=C\C)C(=O)OC 493615193 RJFXXGRKKLRDTF-JEUPLNQMSA-N 221.256 0.800 30 20 BCED O=C(NCC#CCO)c1coc(C2CCC2)n1 665489669 OSTRUEUKGJITJP-UHFFFAOYSA-N 234.255 0.668 30 20 BCED C[C@@H]1OC(=O)N[C@H]1C(=O)NCC1(CC#N)CC1 496275779 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211.309 0.826 30 20 BCED C=CC[C@H](CO)CN[C@@H]1CNCC[C@@H]1C 423020274 ZRBBVJYMBUNPDK-SDDRHHMPSA-N 212.337 0.759 30 20 BCED COC(=O)[C@H](C)N(C)C(=O)[C@H](N)CCCC#N 424185436 ZXCVPPRRCFQAFW-DTWKUNHWSA-N 241.291 0.027 30 20 BCED COC[C@@](C)(N)CN=c1cc(C)[nH]cc1C#N 425228043 OXESMNBOQHBSLW-LBPRGKRZSA-N 234.303 0.459 30 20 BCED COC[C@@H](C)S(=O)(=O)N(C)CC(C)(C)C#N 432289435 OYVUBFNRYRTNDT-SECBINFHSA-N 248.348 0.833 30 20 BCED C=CCNC(=O)[C@H](C)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 451581313 PSBIAZAOHZMTNK-ZOLYEBIHSA-N 248.326 0.562 30 20 BCED C=CCC[C@H](CO)NC(=O)C1(C(=O)OC)CC1 456771970 WKNMCJXTUSGSMC-SECBINFHSA-N 241.287 0.383 30 20 BCED C=C(CC)CNC(=O)N(C)[C@@H]1COC[C@H]1O 459087147 JAZQOUPEFUXYBM-NXEZZACHSA-N 228.292 0.354 30 20 BCED C=CCCOC(=O)CN(C)C(=O)OC 491178330 HGNMNCPMKSHLGX-UHFFFAOYSA-N 201.222 0.804 30 20 BCED C#CCNC(=O)CCN1CC[C@H](O)C(C)(C)C1 491464229 QRUGWDXTIUGEGD-NSHDSACASA-N 238.331 0.219 30 20 BCED C#CCN1CC(=O)N(CC(F)(F)F)C1 491474787 PYWPYHAXVQXBEV-UHFFFAOYSA-N 206.167 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CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1 564937765 PTWKKBQCHIWVDH-MRVPVSSYSA-N 246.270 0.806 30 20 BCED CC[C@@H](C[C@H](C)CO)NS(=O)(=O)CCC#N 565492419 UXFHNLGAGAFSFA-UWVGGRQHSA-N 248.348 0.617 30 20 BCED C=C(C)[C@@H]1OCC[C@H]1CNC[C@H](O)COC 574193495 XDHMQYLSIYAUOO-SRVKXCTJSA-N 229.320 0.565 30 20 BCED C[C@H](CO)N(C)S(=O)(=O)CC1(CC#N)CC1 576003236 PELNWQORQSJAOG-SECBINFHSA-N 246.332 0.323 30 20 BCED Cc1nnc(NC(=O)N2CC(C#N)C2)s1 590104106 CGFQLOVCBMQVAH-UHFFFAOYSA-N 223.261 0.834 30 20 BCED C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCC#N)C1 590444675 JAQPJXSUKNZCGH-IONNQARKSA-N 218.260 0.715 30 20 BCED N#CC1CN(C(=O)c2cccc3ncnn23)C1 590490210 HPDXEZJICSQTEN-UHFFFAOYSA-N 227.227 0.325 30 20 BCED CC(C)C1CN(C[C@@H](O)CN(C)CCC#N)C1 591241797 TXXUAFGTYYXWOM-ZDUSSCGKSA-N 239.363 0.781 30 20 BCED C=CCCOCC(=O)N1CCNC(=O)[C@H]1CC 592668078 IHGDAWDJGPYRPK-SNVBAGLBSA-N 240.303 0.316 30 20 BCED C=CC[C@H](CO)CNC(=O)[C@H](C#N)CC 593581090 RFTIUZNHVZHAIV-UWVGGRQHSA-N 210.277 0.837 30 20 BCED Cn1ncc(C#N)c1NC[C@H]1CCCO1 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CCC[C@@H](C#N)NC(=O)[C@@H]1CCC(=O)NC1 608816049 CWHLVQZFIORASO-BDAKNGLRSA-N 223.276 0.321 30 20 BCED N#CCN1CCN(c2cccnc2[N+](=O)[O-])CC1 609149944 YAUPOYOXGPAFMN-UHFFFAOYSA-N 247.258 0.635 30 20 BCED Cc1ccc(C#N)nc1N1CC[C@@H](O)C1 611399340 DSWNDRNTLCZNAJ-SNVBAGLBSA-N 203.245 0.833 30 20 BCED C[C@H]1COCCCN1C(=O)NC[C@@H](C)C#N 611632553 PKAYRBRWEBKGKX-UWVGGRQHSA-N 225.292 0.966 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H]1Cc2cccc(O)c2C1 614000863 RGDYBMNNUQWQDG-YGRLFVJLSA-N 247.294 0.913 30 20 BCED C=C[C@](C)(O)C(=O)N(C)[C@@H]1CCCOC1 614696747 IXXYBPWBQFEHKZ-KOLCDFICSA-N 213.277 0.561 30 20 BCED C=CCCNC(=O)[C@@H]1CCc2nnc(C)n2C1 617617138 XFEYGELDGXDLLB-SNVBAGLBSA-N 234.303 0.841 30 20 BCED C=C[C@H](CO)NC(=O)C(CC)(CC)CO 620592776 XSOFTPVOOLGHEH-SECBINFHSA-N 215.293 0.448 30 20 BCED O=C(NCC#CCO)[C@H]1[C@H]2c3ccccc3C[C@H]21 626928282 QVLLMXNFBWXNQZ-HZSPNIEDSA-N 241.290 0.684 30 20 BCED C=C(CC)CNC(=O)c1cc(O)ncn1 627684958 FNCYNESWXKKIKA-UHFFFAOYSA-N 207.233 0.878 30 20 BCED 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30 20 BCED Cc1cccc([C@H](O)C/N=C(\N)N(C)C)c1 268994553 WBOKFZBZEKZGKO-LLVKDONJSA-N 221.304 0.905 30 20 BCED CCn1nccc1/C=C/C(=O)N(C)CC#N 269996581 VBYSUCVOLVREMK-SNAWJCMRSA-N 218.260 0.898 30 20 BCED COC[C@@H](O)CCNC(=O)c1cc(C#N)c[nH]1 270790208 GMFVRGSFPGXQSV-VIFPVBQESA-N 237.259 0.014 30 20 BCED COC[C@H](O)CCNC(=O)c1ccc(C#N)[nH]1 270940006 WYRLHGNBTGSSJH-SECBINFHSA-N 237.259 0.014 30 20 BCED C=CCCCC(=O)NN1CC(=O)N(C)C1=O 271821021 MUKUAIAJUZOUJB-UHFFFAOYSA-N 225.248 0.268 30 20 BCED N#Cc1c(F)cccc1N1C[C@@H](O)C[C@H]1CO 274615538 JCQYTPBVNDOTGH-IUCAKERBSA-N 236.246 0.629 30 20 BCED COC(=O)[C@H]1C[C@H](C)CCN1C(=O)CC#N 274779926 KODLDLOVOYUXBA-RKDXNWHRSA-N 224.260 0.700 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@@H](CC)C(=O)OC 279410629 KLNRZUCPVLKDQZ-KWQFWETISA-N 229.276 0.381 30 20 BCED N#Cc1ccc(S(=O)(=O)NCCF)cn1 280794222 QZWNQJMZQIPCME-UHFFFAOYSA-N 229.236 0.201 30 20 BCED C=CCN1CC[C@@H](N(CC#N)C2CC2)C1=O 281929649 HWEMGLRTWJBZKR-LLVKDONJSA-N 219.288 0.761 30 20 BCED C=CCNC(=O)CNC(=O)C(C)(C)CSC 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211.261 0.320 30 20 BCED C#CCO[C@H](C)C(=O)Nc1ccc(O)nn1 297979322 IEAOFOMNSAPYTC-SSDOTTSWSA-N 221.216 0.159 30 20 BCED N#CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CC1 299196416 OPAARFLBAACXJK-UHFFFAOYSA-N 249.230 0.306 30 20 BCED C#C[C@H](NCc1c[nH]nc1C)[C@H]1CCCO1 309855808 KHLNMGHSEHPNRN-NWDGAFQWSA-N 219.288 0.989 30 20 BCED Cn1nncc1CNc1nccnc1C#N 310003595 FSDMUNAIKXFYKC-UHFFFAOYSA-N 215.220 0.089 30 20 BCED COCCN(CC#N)C(=O)[C@@H](C)CSC 316804588 DEZWIILQPJOULO-VIFPVBQESA-N 230.333 0.984 30 20 BCED C=CCC[C@H](CO)NC(=O)c1ncccc1O 320266281 KOEDVVVPHLSGLD-SECBINFHSA-N 236.271 0.844 30 20 BCED C#CCN(CC(=O)O)C(=O)[C@@H](C)C(C)(F)F 328350777 NGRXQFBFWRGPQZ-SSDOTTSWSA-N 233.214 0.824 30 20 BCED N#CCC1(O)CN(C(=O)c2cc(C3CC3)no2)C1 329408144 ZTHLZKLEYZRHFI-UHFFFAOYSA-N 247.254 0.653 30 20 BCED OC[C@@H]1C[C@H](F)CN1/C(O)=N/[C@H]1CCCOC1 329712733 QKYLWEKWHJXRGX-GUBZILKMSA-N 246.282 0.484 30 20 BCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1 330116813 WAKVNKCWFHHELH-GDNZZTSVSA-N 228.251 0.933 30 20 BCED 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0.908 30 20 BCED C=CCNC(=O)COC(=O)[C@H](O)CC(C)(C)C 751769757 KVCHITGBLXXEFO-SECBINFHSA-N 243.303 0.629 30 20 BCED C#CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)OC 754029636 OKURRKKUSVGKHG-SECBINFHSA-N 221.256 0.421 30 20 BCED C[C@H](CO)NN=Cc1ccc(O)c(F)c1 755757515 HYCPCUXYBSRTLG-SSDOTTSWSA-N 212.224 0.836 30 20 BCED C#Cc1ccc(C(=O)N(C)C2CC(O)C2)cn1 760048917 FVSQOGLAJQAQER-UHFFFAOYSA-N 230.267 0.658 30 20 BCED N#C[C@H]1COCCN1C(=O)C1SCCS1 761170689 NVURRPLLSSSVBP-ZETCQYMHSA-N 244.341 0.543 30 20 BCED C=C(CN(C)C)C(=O)N1CCO[C@H](CC)C1 764138970 YQXFCMDUQCAYTH-LLVKDONJSA-N 226.320 0.742 30 20 BCED C=C(CN(C)C)C(=O)N[C@H](C)[C@@H](CO)SC 764631245 JROUKPXKFCQVQE-NXEZZACHSA-N 246.376 0.333 30 20 BCED C1C[C@@H]2C(=NNC3CCOCC3)CCN2C1 765581782 AFKJFTDAKSWQON-GFCCVEGCSA-N 223.320 0.979 30 20 BCED Cc1ccc2ncc(C=Nn3cnnc3O)n2c1 770621760 KIDZWQJBDFDVFO-UHFFFAOYSA-N 242.242 0.822 30 20 BCED N#Cc1ccc(C=NOCC(N)=O)s1 771578628 FFEJBSXVBXCSEJ-UHFFFAOYSA-N 209.230 0.456 30 20 BCED 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CC(=O)NCC1CCN(C(=O)CC#N)CC1 228870258 YIBHHFYIDDKBQB-UHFFFAOYSA-N 223.276 0.275 30 20 BCED C#CCNCC(=O)N1[C@@H](C)CCC[C@@H]1C 82344092 VZSFJTTWXKHDRW-QWRGUYRKSA-N 208.305 0.999 30 20 BCED CNC(=O)CSc1nnc(C)c(C)c1C#N 192770016 JKHJBUXHXJRXBD-UHFFFAOYSA-N 236.300 0.803 30 20 BCED COC(=O)CN(CCO[C@H](C)C#N)C(C)C 380798356 WUNPAKZFEQLAOO-SNVBAGLBSA-N 228.292 0.798 30 20 BCED CC(C)N1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 45136904 CWWVZYOWXCXJLS-QWRGUYRKSA-N 223.320 0.993 30 20 BCED CON=Cc1c(C)nn(CCC(=O)O)c1C 381149873 OSFPDHFBKPXJIB-UHFFFAOYSA-N 225.248 0.955 30 20 BCED N#Cc1nccnc1NCCNC(=O)C1CC1 134263368 GDASAJGTUORCME-UHFFFAOYSA-N 231.259 0.286 30 20 BCED Cc1occc1/C(O)=N/S(=O)(=O)N(C)C 48869186 PKSVTEPYENHBDU-UHFFFAOYSA-N 232.261 0.699 30 20 BCED C=C(C)CS(=O)(=O)N1CC[C@@]12CCOC2 420752269 RWRPTHANOQLFSN-JTQLQIEISA-N 231.317 0.757 30 20 BCED C=CCOCC(=O)N1CC[C@@H](CO)[C@H]1C 427826396 JMXFCGZRTWFSSN-ZJUUUORDSA-N 213.277 0.418 30 20 BCED C#CCCCN1CCN2C(=O)CC[C@H]2C1 161147191 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N#Cc1c[nH]c(C(=O)N2C[C@H]3COC[C@H]3C2)c1 601927907 PMCKGQQSBGJPQS-AOOOYVTPSA-N 231.255 0.605 30 20 BCED C[C@H](C#N)S(=O)(=O)N(C)C[C@H]1CCCCO1 251024496 FUXAENATRNMFOC-NXEZZACHSA-N 246.332 0.729 30 20 BCED CC(C)(C#N)c1nc(CC(=O)NC2CC2)no1 350722609 RBAPNIOQQWTGLV-UHFFFAOYSA-N 234.259 0.692 30 20 BCED Cc1[nH]nc(C(=O)NC2(C#N)CCC2)c1[N+](=O)[O-] 354827036 FYMYNEMZRKMTNT-UHFFFAOYSA-N 249.230 0.802 30 20 BCED C=C[C@@](C)(O)C(=O)NCC1(CO)CCCC1 613599852 XMZNGNYFXWSJHX-LLVKDONJSA-N 227.304 0.592 30 20 BCED C/N=C(/NCc1nnc(C)n1C)N[C@H]1C[C@@H]1C 261945109 FQIXOHQIHKEWRE-CBAPKCEASA-N 236.323 0.197 30 20 BCED C=CCN1CC[C@H](n2cncc(C#N)c2=O)C1=O 351770070 KWTVCQVFELDEBA-JTQLQIEISA-N 244.254 0.074 30 20 BCED C/N=C(/N[C@@H]1CCN(C2CC2)C1)N(C)C 262818274 SACZKNXCXNAXRU-SECBINFHSA-N 210.325 0.360 30 20 BCED C#CCSCCNC(=O)[C@@H](C)n1cccn1 265838631 RXARVRLUGGDXNW-SNVBAGLBSA-N 237.328 0.927 30 20 BCED CCCNC(=O)CNC(=O)NCC(C)(C)C#N 611622814 IYXBKNAIUYUKSA-UHFFFAOYSA-N 240.307 0.362 30 20 BCED COC(=O)[C@H](C)C/N=C(\N)N1CCSCC1 261973129 DXYGMLLIRKNKRQ-MRVPVSSYSA-N 245.348 0.159 30 20 BCED CN(C)CCOc1ccc(CN=C(N)N)cc1 264063459 DHUBDFMBGKKPOT-UHFFFAOYSA-N 236.319 0.400 30 20 BCED C=CCN(C(=O)[C@@H](COC)OC)[C@H](C)COC 617583775 PADCDSSYNWTTMZ-GHMZBOCLSA-N 245.319 0.697 30 20 BCED CC#CCCNC(=O)CCOCCCOC 613321657 XGTPTZXYNVNTKP-UHFFFAOYSA-N 227.304 0.959 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H]1[C@H]2CCC[C@H]21 359025024 HRVBWMFSJBNBHE-IMSYWVGJSA-N 210.277 0.631 30 20 BCED Cn1ncc(C2CC2)c1C(=O)NCC#CCO 614510628 IUSUBDQSVHANQC-UHFFFAOYSA-N 233.271 0.023 30 20 BCED CCC[C@@H](NC(C)C)C(=O)NCC#CCO 352164892 YOKBCTPWDKFFEU-LLVKDONJSA-N 226.320 0.265 30 20 BCED C=C[C@@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 356851693 UJBPWCVTPFWVDX-QMMMGPOBSA-N 247.254 0.946 30 20 BCED CCOCCO[C@@H](C)C(=O)NCCC#N 358598164 HVVALIHZHKQVLX-VIFPVBQESA-N 214.265 0.458 30 20 BCED C[C@H](CC#N)NC(=O)[C@H]1CCC(=O)N1C 352684856 QNMQFCLOENJJCR-HTQZYQBOSA-N 209.249 0.026 30 20 BCED C=CCN(CC=C)C(=O)[C@@H]1CCNC(=O)C1 155440221 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30 20 BCED CCc1nc(Cn2cnc(C#N)c2C#N)no1 156275461 RLZPEOOLNDSLPY-UHFFFAOYSA-N 228.215 0.620 30 20 BCED C#CCNC(=O)CCC(=O)NC1CCCC1 159538832 NMJHFLOTKGOZDT-UHFFFAOYSA-N 222.288 0.575 30 20 BCED C=CCNC(=O)CN1CCC[C@H]1C[C@@H](C)O 159377089 NUJBBCYBKPIQPC-MNOVXSKESA-N 226.320 0.524 30 20 BCED C#CCN1CC(NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)C1 1030562276 HOQHRBQHEMTCKB-MDZLAQPJSA-N 232.327 0.856 30 20 BCED C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OC 1032302614 DCWKVKXIYHIQSB-SRVKXCTJSA-N 238.331 0.883 30 20 BCED C#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1038720966 VQLHSKNZZBIEKR-LOWDOPEQSA-N 248.326 0.378 30 20 BCED CC#CCN1CC(N(C)C(=O)c2cnn(C)c2)C1 1042463818 IRCHXXIIRXINOZ-UHFFFAOYSA-N 246.314 0.200 30 20 BCED C#CCN[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C 1054560844 VQWHSTHZPZYQLS-GHMZBOCLSA-N 246.314 0.103 30 20 BCED C#CCN[C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1C 1054378630 XQMGVYCYSSFMIF-GXSJLCMTSA-N 247.298 0.666 30 20 BCED CC[C@](C)(C#N)NC(=O)c1cc(=O)cc[nH]1 931299813 JBGOHXYBTADCBY-LLVKDONJSA-N 219.244 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212.249 0.210 30 20 BCED C=CCOCC(=O)NC[C@@](C)(O)CC 359253301 STMPCVFGWGWPLR-JTQLQIEISA-N 201.266 0.466 30 20 BCED C=C[C@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 617342940 ITSYMXDYOZECIG-UWVGGRQHSA-N 226.320 0.522 30 20 BCED C=C[C@@H](O)C(=O)N1CCSC[C@H]1C1CC1 615856990 NLMAOVUWBUOZQV-VHSXEESVSA-N 227.329 0.887 30 20 BCED CC(C)(C)OC(=O)[C@H]1CN(CCC#N)CCO1 610451551 PROCHDBXTJIBSV-SNVBAGLBSA-N 240.303 0.943 30 20 BCED CC[C@H](C#N)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 263807305 MIGABANDCYAVLY-MRVPVSSYSA-N 244.254 0.888 30 20 BCED C=CCOC[C@@H](NC(=O)[C@H](C)C#N)C(=O)OC 360727214 VBLHRAJDGLLYBR-RKDXNWHRSA-N 240.259 0.006 30 20 BCED C=C[C@@H](O)C(=O)NCCO[C@H]1CCCCO1 615080917 VIIVJXCCBVQEFJ-ZJUUUORDSA-N 229.276 0.193 30 20 BCED C#CCCNC(=O)N[C@@H]1CCO[C@H]1C1CC1 367014993 YQMQIZSEPGNGLZ-MNOVXSKESA-N 222.288 0.876 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1conc1CC 616505490 MLZWTODZJZOIER-VIFPVBQESA-N 236.271 0.741 30 20 BCED C=CCC[C@H](NC(=O)[C@H](C)O)C(=O)OCC 456609384 OKBIPWUHYIIPAT-IUCAKERBSA-N 229.276 0.381 30 20 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C#CCO[C@H](C)C(=O)N1CCSC[C@@H]1C 295992773 XEYLIFHNHDQUTR-VHSXEESVSA-N 227.329 0.989 30 20 BCED C#CCSCCNC(=O)NOCC1CC1 297484081 SZDHQFUIUBSGIG-UHFFFAOYSA-N 228.317 0.994 30 20 BCED C[C@@H](C#N)CN(C)CCN1C(=O)CCC1=O 299147860 CWTWABCZMOUYGR-VIFPVBQESA-N 223.276 0.227 30 20 BCED N#Cc1cncnc1N1CCC(C(N)=O)CC1 302545501 PPQOFVCZFBIYIB-UHFFFAOYSA-N 231.259 0.050 30 20 BCED C=CCOCCNC(=O)N(CC(=O)O)C(C)C 304235549 MDRGJMBLQGSVIM-UHFFFAOYSA-N 244.291 0.694 30 20 BCED CCC(O)(CC)CNS(=O)(=O)CCCC#N 305204588 MHMZDWVGTCMXBW-UHFFFAOYSA-N 248.348 0.761 30 20 BCED C[C@H](CO[C@H]1CCOC1)/N=C(/O)N1CC(F)C1 329767637 ZUPCRBWRIMFIMD-SCZZXKLOSA-N 246.282 0.748 30 20 BCED C[C@@H]1CN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)CCCO1 330008140 FDYDPQZMYNOPIG-ZNSHCXBVSA-N 240.303 0.656 30 20 BCED CCCN(CCO)/C(O)=N/C[C@H]1CCCN1C 330478612 KWFYBOVVENHLTB-LLVKDONJSA-N 243.351 0.699 30 20 BCED C[C@H](C#N)CN(C)C(=O)CCc1ncc[nH]1 330685004 KVROLLYDCBUGPO-SECBINFHSA-N 220.276 0.960 30 20 BCED C=C[C@@H](C)NS(=O)(=O)N(CC)C[C@@H](C)C#N 332519804 RCFPNAGSNOUOLN-VHSXEESVSA-N 245.348 0.877 30 20 BCED CC#CCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 334341219 OAIQQAYETDQFDI-JTQLQIEISA-N 222.288 0.337 30 20 BCED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C)NC1=O 335111989 AZDILLJCZAVSKD-MRVPVSSYSA-N 225.292 0.050 30 20 BCED C[C@@H]1CN(C(=O)CC#N)CCN1CC(F)(F)F 336068984 COENFOVRGQTNBG-MRVPVSSYSA-N 249.236 0.995 30 20 BCED C=CCCS(=O)(=O)N1CCN(C)C[C@@H]1C 336076991 BLDJDLYTEJVQSX-JTQLQIEISA-N 232.349 0.528 30 20 BCED CC[C@]1(CO)CCCN(C(=O)CC#N)C1 336116743 XGDWLEMBGYDIGR-NSHDSACASA-N 210.277 0.911 30 20 BCED CC(C)N1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1=O 336202541 KRASHPXDXSODNV-GWCFXTLKSA-N 249.314 0.615 30 20 BCED C=CCOCC(=O)N[C@H](CN)CCCC 336722255 AQTVODJSJAJXQM-JTQLQIEISA-N 214.309 0.823 30 20 BCED C=CC[C@H](CO)NC(=O)COC[C@H]1CCOC1 337048197 HNUZUQHKDXGMLV-WDEREUQCSA-N 243.303 0.093 30 20 BCED C[C@H](NCC(=O)NCC#N)c1ccncc1F 338339660 CWSLRPUDPJXBRR-QMMMGPOBSA-N 236.250 0.511 30 20 BCED C=C(CC)CN1CC(=O)N(CCOC)C1 338360030 VZHGFZVKYMXSDO-UHFFFAOYSA-N 212.293 0.701 30 20 BCED O=C(NCC#CCO)c1ccc2nccn2c1 339193531 HGXOYJZTQCPMMB-UHFFFAOYSA-N 229.239 0.060 30 20 BCED C=CC[C@H](CC)NC(=O)N1C[C@H](O)C[C@H]1CO 341438969 ZTGYMMCJGRUJPD-GARJFASQSA-N 242.319 0.478 30 20 BCED C=CC[C@H](CO)CNC(=O)c1ccccn1 342205031 IFTOIRKTVVNWTJ-JTQLQIEISA-N 220.272 0.996 30 20 BCED C=CC[C@@H](CO)CNc1ccc2nc(C)nn2n1 342916060 HQAWOYDYUMRZBT-SNVBAGLBSA-N 247.302 1.029 30 20 BCED CC(C)OCC(=O)Nc1ccn(CCC#N)n1 344282293 HTJIVOAAWJERPS-UHFFFAOYSA-N 236.275 1.160 30 20 BCED CO[C@@H](C)C(=O)N=c1cc[nH]cc1C#N 344367727 ACFKIWZSZNXMKQ-ZETCQYMHSA-N 205.217 0.349 30 20 BCED C[C@@H]1CN(CCC(C)(C)C#N)C[C@@H](C(N)=O)O1 345703060 BRGREJWPBSBIFT-ZJUUUORDSA-N 239.319 0.501 30 20 BCED CSC[C@@](C)(O)CNC(=O)NCCCC#N 345819059 RUMSHBKTMHUGKT-JTQLQIEISA-N 245.348 0.703 30 20 BCED C=CCN1C(=O)C(=O)N(CC2(C#N)CC2)C1=O 349159837 NNOXKQUNBMUWKO-UHFFFAOYSA-N 233.227 0.267 30 20 BCED CC#CCCNC(=O)N(C)Cc1ccnn1C 349953901 GJRGDVOQHUJYKL-UHFFFAOYSA-N 234.303 0.975 30 20 BCED CC(=O)N1CCN([C@H](C)CCC#N)CC1 351617753 ZRRATYAVSHQKOE-SNVBAGLBSA-N 209.293 0.843 30 20 BCED C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ncnn1C 352860179 XANHHZDENSLMRY-ZETCQYMHSA-N 244.258 0.506 30 20 BCED CCOC(=O)[C@](C)(O)CN(C)C[C@@H](C)C#N 354819647 PGIHWRRFZOFEIR-GXSJLCMTSA-N 228.292 0.392 30 20 BCED Cc1nn(Cc2ccon2)c(=O)c(C#N)c1C 354922122 QPBXTTUQTWLZGK-UHFFFAOYSA-N 230.227 0.768 30 20 BCED CCc1nnc(CNC(=O)NCCC#N)s1 359029038 ACPCJPWGOIRVFQ-UHFFFAOYSA-N 239.304 0.813 30 20 BCED C=C[C@H](CO)NC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 359140955 GRMAJLNGNDDSNP-GWOFURMSSA-N 240.303 0.400 30 20 BCED C=CC[C@@H](C)NC(=O)c1noc(COC)n1 359268049 XZFLQHHWLYRUQU-SSDOTTSWSA-N 225.248 0.910 30 20 BCED C=CCCS(=O)(=O)N[C@@H](CO)C(C)(C)C 360010790 JTWZJDGILODXAG-VIFPVBQESA-N 235.349 0.889 30 20 BCED CC#CCCNC(=O)NC[C@H]1CCOC1 361346300 NPNUJJOFVNHGHV-SNVBAGLBSA-N 210.277 0.736 30 20 BCED C=C[C@H](C)NC(=O)Nc1ccn(CCOC)n1 362694350 ZXAMFVLAXUAMMY-VIFPVBQESA-N 238.291 1.226 30 20 BCED CS(=O)(=O)[C@@H]1CCCN(CCCC#N)C1 380066665 IAUWXSBEOLWLMR-SNVBAGLBSA-N 230.333 0.799 30 20 BCED C#C[C@@](C)(CC)NCCS(=O)(=O)CC 384129528 ACNGWFMGGTUZDX-JTQLQIEISA-N 217.334 0.813 30 20 BCED C[C@H](C#N)C(=O)NCc1ncc(Cl)n1C 393642153 QGADNCZDKGGTEC-ZCFIWIBFSA-N 226.667 0.849 30 20 BCED CC(=NN[C@@H](C)CO)c1cc(C(=O)O)co1 393978085 YEJWKGRCSMYUPR-LURJTMIESA-N 226.232 0.672 30 20 BCED C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CO1 401187399 GCLOJEQUXDUTNL-HTQZYQBOSA-N 204.233 0.938 30 20 BCED CC#CCCNC(=O)NC[C@@H]1CCCNC1 418024364 DJHCOQQKLMGYFH-LLVKDONJSA-N 223.320 0.699 30 20 BCED N#CC1(CNC(=O)NCC(F)(F)CO)CCC1 419619558 BNABOLOBNMQOJW-UHFFFAOYSA-N 247.245 0.607 30 20 BCED CC[C@]1(O)CCN(C(=O)CSCC#N)C1 428722653 XSSLJKVTHYKJCF-JTQLQIEISA-N 228.317 0.617 30 20 BCED Cc1cc[nH]c1C(=O)N[C@]1(C#N)CCOC1 436127873 PXHPSMQJZJRPNA-NSHDSACASA-N 219.244 0.736 30 20 BCED C=C[C@](C)(CCOC)C(=O)NCCOC 437645671 KIYRIKXJKKRCRR-LLVKDONJSA-N 215.293 0.978 30 20 BCED C=C[C@@H](C)NC(=O)N1CCN(C)C(=O)[C@@H]1C 488487949 ZTHFIHQEHCGIEG-BDAKNGLRSA-N 225.292 0.433 30 20 BCED C#CC(C)(C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 490655454 ANTNNHSMARYYHP-SECBINFHSA-N 234.299 0.525 30 20 BCED C#CCN(CC#CC)C(=O)c1ccc(C#N)[nH]1 490850218 ASSPDJYVEJVONN-UHFFFAOYSA-N 225.251 0.985 30 20 BCED C#CCNC(=O)CCN1C[C@@H](C)O[C@H](CC)C1 491120791 NTVHCEJJMRSCAR-VXGBXAGGSA-N 238.331 0.625 30 20 BCED C#C[C@@H](CC)NC(=O)CCCCNC(N)=O 491363353 ZAAKKVKFGSYUNC-VIFPVBQESA-N 225.292 0.353 30 20 BCED C#CCNC(=O)CCNCCc1ccc(C)o1 491658189 HCVBZDOTBZAXDL-UHFFFAOYSA-N 234.299 0.860 30 20 BCED C#CCNC(=O)N1CCC2(CCNCC2)CC1 491730308 HNTXXEADOZYVCH-UHFFFAOYSA-N 235.331 0.795 30 20 BCED C#C[C@@H](CC)NC(=O)c1cc(C(N)=O)c[nH]1 491737010 RILSIEHXVFBUKJ-QMMMGPOBSA-N 219.244 0.255 30 20 BCED C#CCN(CC#CC)C(=O)[C@@H]1CCC(=O)C1 491817279 YGSLIMZIPZPFLF-LLVKDONJSA-N 217.268 0.841 30 20 BCED N#Cc1cc(N2CCN3C(=O)OC[C@H]3C2)ccn1 495763376 MRXKWQHNRUORMS-LLVKDONJSA-N 244.254 0.594 30 20 BCED N#CCCOCCN1CCN2C(=O)OC[C@H]2C1 496656379 XWDCCDZGZGRQHF-SNVBAGLBSA-N 239.275 0.053 30 20 BCED O=C[C@@H]1C[C@H]1C1CCS(=O)(=O)CC1 521401480 YYOKCWGJAFINLV-IUCAKERBSA-N 202.275 0.646 30 20 BCED N#CCC(=O)N[C@H]1Cc2ccccc2NC1=O 529949682 SBEMMSAVZLLEKC-JTQLQIEISA-N 229.239 0.580 30 20 BCED C=C(C)CN(CC)C(=O)[C@@](C)(O)COC 530784194 RRCJONALDHYZDB-NSHDSACASA-N 215.293 0.808 30 20 BCED CC[C@@H]1C[C@@H](C(=O)NC2(C#N)CC2)CC(=O)N1 544560876 JPBJSAQAZNGNLK-RKDXNWHRSA-N 235.287 0.464 30 20 BCED C=CCNC(=O)CNC(C)(C)c1cnn(C)c1 545292924 PDTRQFLEMCBFLQ-UHFFFAOYSA-N 236.319 0.547 30 20 BCED C[C@H](C(=O)N[C@@](C)(C#N)CN(C)C)n1cccn1 563219992 CZLLXWFRJNPEMR-PWSUYJOCSA-N 249.318 0.404 30 20 BCED CC1CN([C@@H](C)C(=O)N[C@@H](C#N)C(C)C)C1 569623085 JNMXURLQGKVXRR-QWRGUYRKSA-N 223.320 0.991 30 20 BCED C[C@@H](Cn1ccnc1)Nc1ccc(C#N)c(N)n1 570827006 MAVZAJJNWOSWNP-VIFPVBQESA-N 242.286 1.233 30 20 BCED C[C@H]1C[C@@H](CO)CCN1c1cncc(C#N)n1 579951147 RULPFQMXBKHMAB-UWVGGRQHSA-N 232.287 0.945 30 20 BCED CN1CC[C@@H]2CN(c3ccc(C#N)c(N)n3)C[C@@H]21 581199652 IPRHCHXKCYRFNS-MNOVXSKESA-N 243.314 0.676 30 20 BCED Cc1nn(C[C@H](O)CN(C)C(C)C)cc1C#N 584421657 YRTVPKZXZWFCNL-GFCCVEGCSA-N 236.319 0.764 30 20 BCED N#Cc1ncn(CCNC(=O)N2CC=CCC2)n1 588215759 IMATZRMLVLEQJD-UHFFFAOYSA-N 246.274 0.121 30 20 BCED N#CCCNC[C@@H](CO)Cc1ccco1 592430793 GOHZMGRYHQOVID-JTQLQIEISA-N 208.261 0.934 30 20 BCED CCn1ccc(CC(=O)NC(C)(C)C#N)n1 593105457 FTYPKSDUILVHIK-UHFFFAOYSA-N 220.276 0.864 30 20 BCED N#Cc1c[nH]c(C(=O)N[C@H](CO)CCF)c1 593249717 KAOABJMCDJJTHK-QMMMGPOBSA-N 225.223 0.337 30 20 BCED N#CCC1(Cn2cc(CCCO)nn2)CC1 594652611 UPXHDXCKCSWBAS-UHFFFAOYSA-N 220.276 0.897 30 20 BCED C=CCNC(=O)CN(C1CC1)[C@@H](C)C#N 595713936 MKKBFQUTPGQJOA-VIFPVBQESA-N 207.277 0.665 30 20 BCED Cn1ncc(C#N)c1NCCC1(CO)CC1 596258037 OSZBUERDEIHMTM-UHFFFAOYSA-N 220.276 0.866 30 20 BCED COC(=O)[C@H]1C[C@H](N=c2nc[nH]cc2C#N)C1 596552256 AHSZMLPHSCGSBL-XWEPSHTISA-N 232.243 0.134 30 20 BCED CCN(CC#N)C(=O)[C@H](COC)OC 596921832 VQJOZPMSBGJWRC-QMMMGPOBSA-N 200.238 0.020 30 20 BCED COCCCOCCC(=O)N[C@@H](C)CC#N 596998331 MBUNRPPTLCFAPK-JTQLQIEISA-N 228.292 0.848 30 20 BCED C=CCCn1cc(CN[C@H](C)C(=O)OC)nn1 597116003 BOCYLRANDKLCNV-SECBINFHSA-N 238.291 0.505 30 20 BCED C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCNC2=O)C1 597257127 BTWJZZIENZEYAW-GBIKHYSHSA-N 249.314 0.711 30 20 BCED C[C@@]1(C#N)CCCN(C(=O)C[C@@H]2CC(=O)N2)C1 597497341 HFUQQZWXQANLRY-CABZTGNLSA-N 235.287 0.417 30 20 BCED C[C@H](NC(=O)c1ccc(C#N)cn1)C1(CO)CC1 598038955 IHAMDBZHPBLALA-VIFPVBQESA-N 245.282 0.844 30 20 BCED CCN(C(=O)[C@H](C)NC(C)=O)[C@H](C)C#N 598345979 BYCKGJNHKWNYKG-SFYZADRCSA-N 211.265 0.272 30 20 BCED COC(=O)C[C@@H](O)CNc1nccc(C)c1C#N 599165378 RGEOEVUWFBCXSJ-SECBINFHSA-N 249.270 0.598 30 20 BCED N#Cc1c[nH]c(C(=O)N2N[C@H]3CC[C@H]2C3)c1 600380740 DUNSNIBLAIJQMI-IUCAKERBSA-N 216.244 0.768 30 20 BCED C[C@H](C#N)CN1N=C(c2cnccn2)[C@H](C)C1=O 601935428 UMZNSHYJXFXUMU-BDAKNGLRSA-N 243.270 0.819 30 20 BCED CCN(CCN)C(=O)C1(C#N)CCCC1 602535741 RDGGQXQHDVYSJT-UHFFFAOYSA-N 209.293 0.878 30 20 BCED C[C@@H](CCC#N)CN1CCC[C@@H]1C(N)=O 602680986 IZLJYIUTFNIUNT-VHSXEESVSA-N 209.293 0.876 30 20 BCED C[C@H]1CN(C(=O)Nc2ccnc(C#N)c2)C[C@H]1O 603129180 CHHIOXNGLHYVBQ-GZMMTYOYSA-N 246.270 0.798 30 20 BCED COCc1cc(C#N)ccc1N(C)CC(N)=O 603284825 VGKKBZYCRLZUHF-UHFFFAOYSA-N 233.271 0.626 30 20 BCED C[C@H](C#N)CN(C)C(=O)CCn1ccccc1=O 604437576 KKKJGFBYGZEOTH-LLVKDONJSA-N 247.298 0.856 30 20 BCED CC[C@@H](C#N)NC(=O)CCN1CCCC1=O 609024825 ZLEHZCCUZQPBDA-VIFPVBQESA-N 223.276 0.417 30 20 BCED N#CCCCCNC(=O)NCC1(CO)CC1 610478725 WIBWDKXMNMPGBQ-UHFFFAOYSA-N 225.292 0.752 30 20 BCED Cn1ccc(C(=O)NC2CCN(CC#N)CC2)c1 610785903 ZQBOQWXRWWVJHB-UHFFFAOYSA-N 246.314 0.743 30 20 BCED CN1CCC[C@@H](Nc2ccc(C#N)nn2)C1=O 611241701 AQHGTRJJMGCXIO-SECBINFHSA-N 231.259 0.381 30 20 BCED C=C[C@H](O)C(=O)NCC1(CCO)CCCCC1 612386819 MPHQCOUZMDGTHQ-NSHDSACASA-N 241.331 0.982 30 20 BCED C=C[C@@H](O)C(=O)N(CCCO)Cc1ccccc1 612617665 JYSARXJDUPZZHG-CYBMUJFWSA-N 249.310 0.945 30 20 BCED CC(C)COC[C@@H](O)CN1CC[C@@](F)(C#N)C1 615637267 GWESPKHNEXSJIY-NWDGAFQWSA-N 244.310 0.957 30 20 BCED C=CCCNC(=O)[C@H]1CCc2nnnn2CC1 617610975 HBKAYYFLOCESEE-VIFPVBQESA-N 235.291 0.318 30 20 BCED CC1(C#N)CN(C(=O)CCN2CCCC2=O)C1 619510560 RIOAGDIIRKSXFD-UHFFFAOYSA-N 235.287 0.371 30 20 BCED C=CC[C@H](C)NC(=O)Cn1cc(C(=O)O)cn1 630157141 QHHRLUDJFLFWFI-QMMMGPOBSA-N 237.259 0.662 30 20 BCED C=C[C@@H](O)C(=O)NCCCN1CCC(C)CC1 646592362 RDRSGFCDYBGYMD-GFCCVEGCSA-N 240.347 0.772 30 20 BCED C=CCn1cc(C(=O)N2CCCOC2)nn1 648899401 KDPWFNXZJYUGEW-UHFFFAOYSA-N 222.248 0.284 30 20 BCED CC#CCNCc1cn(-c2nccs2)nn1 656440270 PKZQPNSRZXYFTC-UHFFFAOYSA-N 233.300 0.837 30 20 BCED CC#CCCNS(=O)(=O)c1ccncc1 656955854 VYTPGYMSMBYPEN-UHFFFAOYSA-N 224.285 0.773 30 20 BCED C=CCCn1cc(CNCC(C)(C)CO)nn1 657411781 XHLFWIIJMYWBIL-UHFFFAOYSA-N 238.335 0.962 30 20 BCED C=C(C)CN(CC)C(=O)C[C@@H]1CC(=O)N1 666259357 WVQONKKRAOXQRE-VIFPVBQESA-N 210.277 0.690 30 20 BCED C=C[C@@H](O)C(=O)Nc1c(C)c(C)nn1C 668403550 NOGRMQZERUGVEA-MRVPVSSYSA-N 209.249 0.522 30 20 BCED CC#CCCNC(=O)N1CC[C@@H]2CCN[C@@H]2C1 669563812 CBSISPLEPCNUBL-NWDGAFQWSA-N 235.331 0.793 30 20 BCED CCC#C[C@@H](C)N1CCC[C@H](S(N)(=O)=O)C1 680378145 SWSJQAGNDCDKBT-MNOVXSKESA-N 244.360 0.541 30 20 BCED C=CCCOCC(=O)N1CC[C@](O)(CC)C1 681760662 DSLDUWGTOMOSQK-GFCCVEGCSA-N 227.304 0.953 30 20 BCED C[C@@H](C#N)OCCN1CC[C@@H](CN(C)C)C1 685989412 KDHRQVRMFYCOAW-RYUDHWBXSA-N 225.336 0.799 30 20 BCED C#CCN(C(=O)c1ccn(C)n1)C(C)C 688893662 WCZMVBDMJTUJAD-UHFFFAOYSA-N 205.261 0.904 30 20 BCED C#CCNCC(=O)N1CCC(F)(F)C[C@H]1C 697545251 CLPSZBIFEKGRLL-SECBINFHSA-N 230.258 0.855 30 20 BCED CC[C@](C)(C#N)NC(=O)C1=COCCO1 701167182 SLMTUKJSBLAYMO-SNVBAGLBSA-N 210.233 0.683 30 20 BCED N#Cc1c[nH]nc1NC(=O)c1cnsn1 701255660 LYKVJHJFSJNIJA-UHFFFAOYSA-N 220.217 0.385 30 20 BCED CC#CC[C@H](CO)NC(=O)/C=C/c1cccnc1 717777112 QGFNDAQWWLJPQW-SBDDDAINSA-N 244.294 0.985 30 20 BCED C#CC[C@H](CO)NC(=O)C[C@@H]1CCCO1 717794268 NOCGSXLLQDLUKM-ZJUUUORDSA-N 211.261 0.056 30 20 BCED C#CC[C@@H](CO)NC(=O)c1ccc(F)cc1 717829281 HUWGLUDYEVUINQ-NSHDSACASA-N 221.231 0.940 30 20 BCED C=CCC1(O)CN(C(=O)[C@@H]2CCO[C@H]2C)C1 720929159 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CC(C)(C)C#CC(=O)N1CC[C@@](O)(CC#N)C1 844018358 MBQXHSQEJYCVHI-ZDUSSCGKSA-N 234.299 0.913 30 20 BCED C=C[C@@H](C)ONC(=O)NCc1nccn1C 845634810 BYIAMQIBIOGRFT-MRVPVSSYSA-N 224.264 0.725 30 20 BCED C#CCN(C)c1nnc([C@H]2C[C@H]3CC[C@H]2O3)n1C 846296457 SWAMTHQPMGQIFR-OUAUKWLOSA-N 246.314 0.919 30 20 BCED C=C[C@@H](C)ONC(=O)[C@H]1CCc2nncn2C1 846552816 QLEMQFNFTBDIBJ-BDAKNGLRSA-N 236.275 0.463 30 20 BCED CC[C@@H](CC#N)OC(=O)[C@@H](COC)OC 850979350 OKRWSYYURLMCDF-DTWKUNHWSA-N 215.249 0.883 30 20 BCED C=C(Cl)CN1CCC[C@]2(C1)NC(=O)NC2=O 852000280 RLKIMQSBIBFKCX-SNVBAGLBSA-N 243.694 0.413 30 20 BCED C=C[C@H](CO)NC(=O)NCC1SCCS1 852668722 GHYWJEXMURAXJC-SSDOTTSWSA-N 248.373 0.639 30 20 BCED C#CCOCCN1C[C@H](C)[C@](C)(CO)C1 852705563 YIGUXHVEDSLASP-RYUDHWBXSA-N 211.305 0.587 30 20 BCED CC[C@@H](O)CNN=Cc1c(C2CC2)cnn1C 853347294 UFJINLPKZLWFGA-SNVBAGLBSA-N 236.319 0.992 30 20 BCED C#CCOCCOC(=O)c1cc(C)ncn1 853913829 FDKIRNZLIKVXJG-UHFFFAOYSA-N 220.228 0.592 30 20 BCED C#C[C@H](CC)NC(=O)NCCCc1nc[nH]n1 854077920 DVEFUVMROWIIRI-SECBINFHSA-N 235.291 0.448 30 20 BCED C#C[C@@H](CC)NC(=O)N(C[C@H](O)CO)C(C)C 854078030 GIQUVRKQRQOGPZ-QWRGUYRKSA-N 242.319 0.171 30 20 BCED CO[C@H]1COCC[C@@H]1CNC(=O)C#CC(C)C 854781122 FUXBFTBWZGEGIK-NEPJUHHUSA-N 239.315 0.814 30 20 BCED CON=CC(=O)N1CCC[C@@H](C)[C@@H]1CCO 855540813 JCZZPZWUQHDHQI-ZJUUUORDSA-N 228.292 0.628 30 20 BCED C#C[C@@H](CC)NC(=O)c1ccc(C(N)=O)[nH]1 857190861 DYDZKSIULRZFSY-ZETCQYMHSA-N 219.244 0.255 30 20 BCED C#C[C@@H](CCC)NC(=O)NCc1cnnn1CC 858390776 OFPURAQTFPORCL-JTQLQIEISA-N 249.318 0.899 30 20 BCED CON=CC(=O)N1CCCC[C@H]1CNC(C)=O 863814575 YLPJHKQAYKODJI-JTQLQIEISA-N 241.291 0.136 30 20 BCED COCCS(=O)(=O)Nc1cccnc1C#N 872010305 MNUSLMPXPNAMET-UHFFFAOYSA-N 241.272 0.341 30 20 BCED CS(=O)(=O)CCNN=C1CC[C@@H]2C[C@H]12 872352586 YPAXVWBLPLSPCT-SFYZADRCSA-N 216.306 0.407 30 20 BCED C#CCN(C(=O)N[C@H]1C[C@@H](C(=O)O)C1)C1CC1 874417957 XAIBSJYMFXDSOA-DTORHVGOSA-N 236.271 0.657 30 20 BCED C=C(Cl)Cn1cc(C[C@H](N)CCOC)nn1 881426485 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30 20 BCED C[C@@H](CC[S@](C)=O)NC(=O)C#CC1CC1 900882996 NGRITHXVTOZLRA-VFZGTOFNSA-N 227.329 0.673 30 20 BCED CCS(=O)(=O)N(CC#N)c1ccccn1 903169898 ULHLYEVXRVHLRR-UHFFFAOYSA-N 225.273 0.761 30 20 BCED CN1CCCC[C@@H]1CCn1cnc(C#N)cc1=O 906507273 JXBGOZNNRGDWIJ-GFCCVEGCSA-N 246.314 0.989 30 20 BCED C#CC[C@H](NC(=O)c1cnn(CC)c1)C(=O)O 910054281 MFKWIKWOKKQUAA-VIFPVBQESA-N 235.243 0.109 30 20 BCED C#CCCCC(=O)NC[C@H]1C[C@H]1C(=O)O 910608840 WCRDVKYFOQHIEM-RKDXNWHRSA-N 209.245 0.627 30 20 BCED C=CCCCC(=O)N[C@@H]1C(=O)NCC1(C)C 914441805 MUYQVMVOUYDMLI-SNVBAGLBSA-N 224.304 0.984 30 20 BCED CC1(C)CC[C@@H]1NC(=O)NCC#CCO 923768675 SZESJDMGHVEQOD-VIFPVBQESA-N 210.277 0.470 30 20 BCED CN(C[C@@H]1CCCOC1)C(=O)NCC#CCO 923779259 FHBJUCBETGYBSN-NSHDSACASA-N 240.303 0.050 30 20 BCED C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Cn1cnc(C#N)n1 928043012 UCSJVJVCJBKPSM-DOLQZWNJSA-N 245.286 0.310 30 20 BCED C#CCN(C[C@@H](O)CO[C@@H](C)COC)C(C)C 932387379 HVLZPMDGCBUVDJ-QWHCGFSZSA-N 243.347 0.742 30 20 BCED C#CCN(Cc1nc(N)nc(N(C)C)n1)C(C)C 932395434 HAPFNIQVUWGWKM-UHFFFAOYSA-N 248.334 0.363 30 20 BCED C#CCN[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 969960734 VLQAHVLQZPJDFY-CHWSQXEVSA-N 249.358 0.152 30 20 BCED N#CCN[C@@H]1CCN(C(=O)c2ncccc2F)C1 970331007 QBAXWWIIQKOZKU-SECBINFHSA-N 248.261 0.548 30 20 BCED C=CCN[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C 987525578 PCLGPAYVPWSBHJ-WDEREUQCSA-N 248.330 0.799 30 20 BCED C#CCN[C@@H]1C[C@H](C)N(C(=O)C2=CCOCC2)C1 988688456 CQSPJVHWQLAYGU-WCQYABFASA-N 248.326 0.545 30 20 BCED CN(C(=O)[C@@H]1CCCO1)C1CC(NCC#N)C1 998416207 IKYDJSAZDIYCGH-ILDUYXDCSA-N 237.303 0.268 30 20 BCED CC(=O)N[C@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C 1007743394 ZDDPXBCSQIXGKA-WPRPVWTQSA-N 237.303 0.519 30 20 BCED CC#CCN1CC[C@H](NC(=O)c2cc(C)[nH]n2)C1 1010333688 KRAUOSPUAOQOCT-NSHDSACASA-N 246.314 0.546 30 20 BCED C=CCN[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 1020003518 JGCONLCOKQGWJJ-IJLUTSLNSA-N 238.331 0.978 30 20 BCED C=CCN1CC(CNC(=O)C2=COCCO2)C1 1031527943 NDQYGLFEWRDNFP-UHFFFAOYSA-N 238.287 0.109 30 20 BCED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(F)F 1032391879 MPPOKKRUZDFJPH-LPEHRKFASA-N 240.253 0.560 30 20 BCED C=CCN1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 1033006929 ACGSUMAMOVZKSL-NSHDSACASA-N 248.330 0.752 30 20 BCED CN(C(=O)c1ccccc1O)C1CN(CC#N)C1 1042487480 ULQYGRCBPYRBDB-UHFFFAOYSA-N 245.282 0.672 30 20 BCED C=C(C)CN1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 1080641835 YBMZTTCZCKCHJR-NXEZZACHSA-N 249.318 0.431 30 20 BCED C#CCN1C[C@@H](NC(=O)c2nocc2C)[C@H](C)C1 1080733370 PIBFOYAATOXLKQ-MWLCHTKSSA-N 247.298 0.666 30 20 BCED C#CCN[C@H]1C[C@H](CNC(=O)c2ccn(C)c2)C1 1086338220 DRXHZACGSFQPAS-AULYBMBSSA-N 245.326 0.756 30 20 BCED C#CCN1C[C@H]2[C@H](NC(=O)[C@H](C)C(C)C)[C@H]2C1 1114908154 WXMKSSAUIIZXAE-NDBYEHHHSA-N 234.343 0.958 30 20 BCED Cc1c(C#N)cccc1C(=O)Nn1cnnc1 1116925944 BPGHLFZTURGGSL-UHFFFAOYSA-N 227.227 0.842 30 20 BCED Cc1nc([C@@H]2CCN(C[C@H](O)CC#N)C2)n[nH]1 1119789624 ASAHEFYUYBMSSS-NXEZZACHSA-N 235.291 0.177 30 20 BCED C#CCOCCN(C)C(=O)[C@@H](C)SC 1124051172 DFSRBBJYWMZAHT-SECBINFHSA-N 215.318 0.846 30 20 BCED C=C(C)CNCCNC(=O)c1c[nH]c(C#N)c1 1125988412 VBYORDCAIFVQMO-UHFFFAOYSA-N 232.287 0.782 30 20 BCED CC[C@@H](CC(F)F)C(=O)NCCNCC#N 1129137727 MPVLEYFXXUKFBP-QMMMGPOBSA-N 233.262 0.897 30 20 BCED C#CCNCCNC(=O)c1ccc(C)nc1O 1134364983 BAQMCXZBLOPEIQ-UHFFFAOYSA-N 233.271 0.048 30 20 BCED C=C(C)CCNCCNC(=O)c1nc[nH]n1 1135519857 CTZDSLHEJLTKPW-UHFFFAOYSA-N 223.280 0.090 30 20 BCED C=CCCNCCNC(=O)C12CCN(CC1)C2 1147994869 SBOLCNSAZVMZNU-UHFFFAOYSA-N 237.347 0.364 30 20 BCED C=CCCC(=O)NC[C@@H](C)N(CC)CC(N)=O 1152352942 PPTAHCGAWSCVED-SNVBAGLBSA-N 241.335 0.265 30 20 BCED CC(F)(F)C(=O)NCCCNCC#N 1154114914 XEHFQUZAQHMYSY-UHFFFAOYSA-N 205.208 0.261 30 20 BCED CC#CCNCCCNC(=O)[C@@H](CCC)OC 1163845742 MOFWEPUCNQUTJY-GFCCVEGCSA-N 240.347 0.921 30 20 BCED Cc1c(C(=O)NCCCNCC#N)ccn1C 1166156008 QDEHQJQKQIBOEA-UHFFFAOYSA-N 234.303 0.567 30 20 BCED C#CCNCCCNC(=O)CCCOC(C)C 1177392978 KFDJLNQQRDCYNE-UHFFFAOYSA-N 240.347 0.921 30 20 BCED C=CCO[C@H](C)C(=O)N1CC[C@@H](NCC#N)C1 1188309663 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0.951 30 20 BCED Cc1nn(C[C@H]2COCCO2)c(=O)c(C#N)c1C 1328934671 MMNWKLMJSHWVBZ-JTQLQIEISA-N 249.270 0.147 30 20 BCED N#CCCCn1cc(Cn2cncn2)nn1 1330753024 YJEQHHJGODMICV-UHFFFAOYSA-N 217.236 0.222 30 20 BCED C#CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](OC)C1 1332336631 XIASYBWRZFBETH-MXWKQRLJSA-N 240.303 0.237 30 20 BCED CC(C)CCN(CCC#N)c1nnnn1C 1332480245 SDEPQWGKJHUQFG-UHFFFAOYSA-N 222.296 0.976 30 20 BCED CC(=O)C1(NC(=O)C2(C#N)CCC2)CC1 1332629192 GGONHIKEISJQNQ-UHFFFAOYSA-N 206.245 0.918 30 20 BCED C=C(C)Cn1nnnc1N1CCO[C@H](CC)C1 1333944799 VXCRYQPXAHRVKZ-SNVBAGLBSA-N 237.307 0.864 30 20 BCED COC[C@H](OC)C(=O)NCc1ccc(C#N)cn1 1334408820 MLSFYQUGICTIKT-NSHDSACASA-N 249.270 0.231 30 20 BCED C#C[C@@H](C)N(C)C(=O)c1c[nH]c(C)cc1=O 1334716214 MJFQWBIDSXEGMX-SECBINFHSA-N 218.256 0.777 30 20 BCED C#CC[C@H](CCOC)N1C(=O)NC2(CC2)C1=O 1335382554 OLBDERMLVPDSGI-SECBINFHSA-N 236.271 0.499 30 20 BCED C#CCOCCn1nnnc1N1CC[C@@H](C)[C@H]1C 1336019863 YDCMHQCRCUACFB-GHMZBOCLSA-N 249.318 0.558 30 20 BCED 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C#CCO[C@@H](C)C(=O)Nc1ccnc(C(=O)O)c1 1588431810 XZCCRIPQSJBUSY-QMMMGPOBSA-N 248.238 0.757 30 20 BCED C=C[C@H](C)OC(=O)c1cc(C(=O)O)nn1C 1588451520 YUWAOWLCMFJUIU-LURJTMIESA-N 224.216 0.850 30 20 BCED C=C(CCN(C)C)C(=O)N(CC(=O)O)C1CC1 1588634272 ZVVVIHXAQAHGAC-UHFFFAOYSA-N 240.303 0.570 30 20 BCED C=CCN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 1588849349 LWZBUCXAUMZIQD-ZYUZMQFOSA-N 238.287 0.130 30 20 BCED C[C@H](CC(=O)O)NC(=O)c1ccc(C#N)n1C 1589001700 URLYJKXIXHOTER-SSDOTTSWSA-N 235.243 0.490 30 20 BCED CC[C@@H](C#N)C(=O)N(C)CCCC(=O)O 1589427073 YOTXDAOFHRFZSG-QMMMGPOBSA-N 212.249 0.859 30 20 BCED CC/C(C)=C/C(=O)N(CC#N)CC(=O)O 1594860575 KJWLZCSZFYTKRT-SOFGYWHQSA-N 210.233 0.779 30 20 BCED CO[C@@H](C(=O)N(CC#N)CCC(=O)O)C(C)C 1599024779 UHJMVWOACAPCCN-SNVBAGLBSA-N 242.275 0.484 30 20 BCED Cc1cc(C(=O)N[C@@H](C)C#N)oc1C(=O)O 1600097363 HGXCRSJAGCJZAO-LURJTMIESA-N 222.200 0.928 30 20 BCED O=C(O)CCN1CC[C@@H](ON=C2CCC2)C1=O 1602015120 VRBUWBANRFOSOH-SECBINFHSA-N 240.259 0.619 30 20 BCED C=CCN1CC[C@@H](S[C@@H](C)C(=O)O)C1=O 1602723228 WSNLJWQBAWOKCH-JGVFFNPUSA-N 229.301 0.980 30 20 BCED C[C@H](C#N)C(=O)Nc1ccnc(C(=O)O)c1 1602786526 WHFDOMRDTIJVRJ-ZCFIWIBFSA-N 219.200 0.878 30 20 BCED CC[C@H](C#N)C(=O)NC(C)(C)CC(=O)O 1603489069 UEXASIKQSUXBBG-SSDOTTSWSA-N 212.249 0.906 30 20 BCED C=C[C@@H](C(=O)O)N1CCc2n[nH]cc2C1 1609264591 UOXFEBSTPVJTLV-VIFPVBQESA-N 207.233 0.407 30 20 BCED C[C@H](CNS(=O)(=O)CC(C)(C)C#N)C(=O)O 1609749207 WMDCIXZEKNBZKL-SSDOTTSWSA-N 248.304 0.176 30 20 BCED N#CCC1CCN(Cn2cc(C(=O)O)nn2)CC1 1610620480 HYBKQNJGDBSKCM-UHFFFAOYSA-N 249.274 0.559 30 20 BCED N#Cc1ccc(C(=O)Nn2ccccc2=O)[nH]1 1654454595 RTEATQNRPBBIFM-UHFFFAOYSA-N 228.211 0.432 30 20 BCED C#CCNCC[C@H](C)NC(=O)c1ccns1 1753969040 AZOBEIQIAYCXNN-VIFPVBQESA-N 237.328 0.874 30 20 BCED C#CCNCC[C@@H](C)NC(=O)[C@H]1CCN(C)C1 1754033600 KVTSOJRBZBDNLK-NEPJUHHUSA-N 237.347 0.056 30 20 BCED C=CCN1CCC[C@@H](COCC(=O)O)C1 1776181521 PRSUKARGGWPUMB-SNVBAGLBSA-N 213.277 0.986 30 20 BCED C=CCNC(=O)[C@@H](C)Sc1n[nH]c(N)n1 29996120 ODYYVAUSONQCKV-RXMQYKEDSA-N 227.293 0.170 30 20 BCED C[C@H](C#N)CN(C)C(=O)c1ccc(=O)[nH]c1 37842102 ZMNQWJSEGOVKOC-MRVPVSSYSA-N 219.244 0.607 30 20 BCED CNC(=O)CCNCc1ccc(C#N)cc1 44987976 BOFZGSCYISXBQP-UHFFFAOYSA-N 217.272 0.784 30 20 BCED C#CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 45903294 DYBGXQPDKFWVMM-SNVBAGLBSA-N 230.267 0.554 30 20 BCED C#CCNC(=O)[C@H]1CCC[C@@H](C(=O)NCC#C)C1 49398158 MRZZAZMCLSLJQH-TXEJJXNPSA-N 246.310 0.292 30 20 BCED C=C(C)CN(CC)C(=O)CN(C)CC(=O)NC 53148049 AQFMSVIOCCMQSZ-UHFFFAOYSA-N 241.335 0.089 30 20 BCED COC(=O)CCCS(=O)(=O)NCCCC#N 54137573 GFVGQIAEVOIPIV-UHFFFAOYSA-N 248.304 0.163 30 20 BCED N#CCCNS(=O)(=O)c1cncc(F)c1 54157688 SLQXZCUNURZOFG-UHFFFAOYSA-N 229.236 0.413 30 20 BCED Cc1ccc(C(=O)N(C)CCC#N)c(=O)[nH]1 58066018 PEHXWPQIKDOHFA-UHFFFAOYSA-N 219.244 0.669 30 20 BCED C=CCNC(=O)CN1CCC(OCC)CC1 59932093 VVVNWPJYQVNKLQ-UHFFFAOYSA-N 226.320 0.790 30 20 BCED N#Cc1cc(CN2CCO[C@@H](C(=O)O)C2)ccn1 68756865 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N#CCCN(CCC#N)C(=O)c1ncccc1N 132539526 IJUWHISGYIMWEZ-UHFFFAOYSA-N 243.270 0.933 30 20 BCED C#CCNCC(=O)N[C@H](C)CCSCC 133932313 RCHSDARMAJIOMM-SNVBAGLBSA-N 228.361 0.857 30 20 BCED N#CCNC(=O)c1cc(-n2cccn2)ccn1 134737844 SCEOYTMMJQQXIN-UHFFFAOYSA-N 227.227 0.521 30 20 BCED C[C@@H](CC(N)=O)NC(=O)Cc1ccc(C#N)cc1 135386812 FIIYVVAAGPBZEN-VIFPVBQESA-N 245.282 0.481 30 20 BCED CC[C@](C)(C#N)C(=O)NC[C@H]1CCN(C)C1 136197307 DKHBPJGDGVDWJQ-ZYHUDNBSSA-N 223.320 0.994 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@@H]1CCCCO1 153023310 VGYDEYJIWZSRPG-ONGXEEELSA-N 226.276 0.600 30 20 BCED C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCO 155759704 WZBACWZQVHKMIR-GFCCVEGCSA-N 240.347 0.890 30 20 BCED C=C(C)CNC(=O)NCCSCC(=O)OC 156763176 YZCGBVWQROYEET-UHFFFAOYSA-N 246.332 0.768 30 20 BCED N#CC1(CS(=O)(=O)NC2CC=CC2)CC1 166024341 JXUCHPMSFUTPEL-UHFFFAOYSA-N 226.301 0.928 30 20 BCED C#CCNC(=O)CCN[C@@H](CC)C1CC1 167154566 ULDMYUAOZLEKDK-NSHDSACASA-N 208.305 0.904 30 20 BCED C=C(C)COCCNC(=O)c1cnn(C)c1N 168997002 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0.742 30 20 BCED CN(C(=O)Cn1cccc(C#N)c1=O)C1CC1 221020803 GSANUKZVQXJGOQ-UHFFFAOYSA-N 231.255 0.341 30 20 BCED CN1CCC[C@@H]1CNc1nccc(C#N)n1 226036280 DRKQCVKWMOHQOH-SNVBAGLBSA-N 217.276 0.854 30 20 BCED CCN(CC#N)C(=O)[C@H](C)n1cncn1 227065715 UAYHSJSIUINTJY-QMMMGPOBSA-N 207.237 0.211 30 20 BCED CCCN(CC#N)C[C@@H](O)CO[C@@H](C)COC 233036588 BHMWKENXDJQAJS-NWDGAFQWSA-N 244.335 0.634 30 20 BCED C=CCNC(=O)CNC(=O)Cc1cccs1 243359523 LZNRNTXRAGDNAI-UHFFFAOYSA-N 238.312 0.709 30 20 BCED C#CCNC(=O)/C=C\c1cncc(F)c1 255629715 VYULPTPKKOKDLQ-ARJAWSKDSA-N 204.204 0.983 30 20 BCED COCCN/C(N)=N/C[C@@H]1COc2ccccc21 262276912 JWRRQBQJDAJVJK-SNVBAGLBSA-N 249.314 0.713 30 20 BCED C=CCN/C(N)=N\C[C@@H]1CCCCS1(=O)=O 262282008 VVBSIGIKIKHPGI-VIFPVBQESA-N 245.348 0.044 30 20 BCED C[C@H]1CN/C(=N\CCC2(C)OCCO2)N1 262640599 HRFMMVHENWTUCS-QMMMGPOBSA-N 213.281 0.077 30 20 BCED C=CCN/C(N)=N/C[C@H](O)c1ccccc1 264058929 BXTXFGWUWUDTTB-NSHDSACASA-N 219.288 0.810 30 20 BCED N/C(=N\Cc1ccsc1)N1CCOCC1 264088007 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245.202 0.592 30 20 BCED C#CCNC(=O)NCCc1cn2ccccc2n1 45610604 ZMBOVADGSKAYMZ-UHFFFAOYSA-N 242.282 0.809 30 20 BCED N#C[C@@H]1CCC[C@H]1NC[C@@H]1COCCO1 54825946 SNJPXEZGJSGLFD-HBNTYKKESA-N 210.277 0.684 30 20 BCED C=CCNC(=O)[C@H](C)SCC(=O)OCC 68934625 ZGAUFZWKSZCWKD-QMMMGPOBSA-N 231.317 0.973 30 20 BCED C[C@H](C#N)CN(C)C(=O)COC[C@@H]1CCCO1 69262084 QVFLGKMOBWSHLO-MNOVXSKESA-N 240.303 0.800 30 20 BCED N#CCCN(CCC#N)CCN1CCOCC1 78649108 CBGPZIXLDCCPLV-UHFFFAOYSA-N 236.319 0.448 30 20 BCED CC#CCSc1nnnn1CCN(C)C 78960391 DWLGGGIRMOPWRW-UHFFFAOYSA-N 225.321 0.350 30 20 BCED CCCCN(C)S(=O)(=O)NC[C@H](C)C#N 80638574 PKNNFDXRCWSDJA-SECBINFHSA-N 233.337 0.712 30 20 BCED C[C@@H](N)CNS(=O)(=O)c1cccc(C#N)c1 82575036 JGDJKLSLIDSQRI-MRVPVSSYSA-N 239.300 0.184 30 20 BCED O=C(O)[C@H]1COCCN1CC#Cc1ccccc1 88380903 ZWVUSCLPUBIDJI-CYBMUJFWSA-N 245.278 0.824 30 20 BCED C[C@@H](C#N)S(=O)(=O)N(C)C[C@@H]1CCCCO1 88476572 FUXAENATRNMFOC-UWVGGRQHSA-N 246.332 0.729 30 20 BCED C[C@H](CC(=O)O)CC(=O)N1CCO[C@@H](C#N)C1 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N#CCCCC(=O)NC[C@@H]1COCCO1 330912736 ZWDWXQWRDKABAU-SECBINFHSA-N 212.249 0.212 30 20 BCED Cc1cnn(C[C@H]2CN(C(=O)CC#N)CCO2)c1 331057985 MDUQXCLLMMPWKS-LLVKDONJSA-N 248.286 0.333 30 20 BCED C/N=C(/O)NCC(=O)NCc1cscc1C 331202343 NQBCAAJCVFVBKX-UHFFFAOYSA-N 241.316 0.806 30 20 BCED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CCCO1 331230059 CXOYSZBBICBGCR-VXGBXAGGSA-N 227.304 0.999 30 20 BCED CCCN(C)CC(=O)NC1(C#N)CCC1 331983507 CZCRZZIBWPVXRX-UHFFFAOYSA-N 209.293 0.891 30 20 BCED C=C[C@@H](CO)NCc1nc(C#N)cs1 336666221 VIXQSPZGHFOYRE-ZETCQYMHSA-N 209.274 0.651 30 20 BCED Cn1nnc(CN[C@@H]2CCC[C@H](C#N)C2)n1 336703053 OKPRSWZQOIBRSB-DTWKUNHWSA-N 220.280 0.382 30 20 BCED C=CCNC(=O)CN[C@H](C)c1cnccn1 336745000 QKHWJQKFFVSCLE-SECBINFHSA-N 220.276 0.429 30 20 BCED C=C[C@@H](C)NC(=O)[C@@H](OC)c1cnn(C)c1 337057486 QDYSFJVEOWQNLF-SCZZXKLOSA-N 223.276 0.798 30 20 BCED C=CCOCCN[C@](C)(CC)C(N)=O 339045749 UXUDYXJQYNNWPQ-SNVBAGLBSA-N 200.282 0.433 30 20 BCED CS[C@@H](C)CC(=O)N1CCN(CC#N)CC1 339848914 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C=C[C@H](CO)NC(=O)c1c2ccccc2nn1C 356853272 YRUZHSPUVINNLZ-SECBINFHSA-N 245.282 0.850 30 20 BCED C[C@H](C[S@@](C)=O)N(C)C(=O)CCCC#N 360783306 QWLXIJZVPIGMQX-RFAUZJTJSA-N 230.333 0.906 30 20 BCED C=CCOCCCC(=O)NC[C@@H]1COCCO1 361467593 WOJMQBPZFPHDPP-LLVKDONJSA-N 243.303 0.501 30 20 BCED Cn1nnc(CNC(=O)c2ccc(C#N)s2)n1 362937608 BDJQOLXXZJLWCW-UHFFFAOYSA-N 248.271 0.073 30 20 BCED C=CCNC(=O)CN1C[C@@H](C)O[C@H](C2CC2)C1 369391295 LGDQPZFAJMFJPO-PWSUYJOCSA-N 238.331 0.788 30 20 BCED C=CCCC(=O)N1C[C@@H](OC)C[C@H]1C(=O)OC 370846480 XJCRZNKHZZMCAA-UWVGGRQHSA-N 241.287 0.742 30 20 BCED CC[C@@](C)(C#N)C(=O)N1CCNC(=O)C[C@H]1C 375802624 VJRBVYRGOVGDJJ-SKDRFNHKSA-N 237.303 0.663 30 20 BCED CC[C@@H](CO)N(C)CCO[C@H](C)C#N 379068697 YBHQCVIDDUQBGO-ZJUUUORDSA-N 200.282 0.618 30 20 BCED C=C[C@H](N[C@H](C)COCCOC)C(=O)OC 381491829 YFBAKIQRRJCKGZ-ZJUUUORDSA-N 231.292 0.355 30 20 BCED C#C[C@@H](NCc1cnn(C)n1)[C@@H]1CCCO1 381862234 WKRDCOHHTMVVIN-MNOVXSKESA-N 220.276 0.086 30 20 BCED C=CCNC(=O)CNCc1ccoc1C(=O)O 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0.626 30 20 BCED C#C[C@H](CC)NC(=O)[C@H](CCCC)NC(N)=O 491733066 HWQMRYNSRKMAQS-ZJUUUORDSA-N 239.319 0.742 30 20 BCED C#CCN(CC#N)C(=O)c1cnccc1C#N 491769054 LIDOQOFDLUMAAI-UHFFFAOYSA-N 224.223 0.552 30 20 BCED C#C[C@@H](C)N(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 491805203 NQZSWZXKLQKGRU-MFKMUULPSA-N 236.315 0.725 30 20 BCED COC(=O)NCCCC(=O)OCC1(C#N)CC1 494712677 SJHABKWYIMOUIQ-UHFFFAOYSA-N 240.259 0.970 30 20 BCED COCC1(C(=O)NCC2(C#N)CC2)CC1 517213901 MLXPSVMWROVESP-UHFFFAOYSA-N 208.261 0.833 30 20 BCED Cc1nn(CC2CCNCC2)c(=O)c(C#N)c1C 517932747 PDYLLDZYERUDSS-UHFFFAOYSA-N 246.314 0.731 30 20 BCED C=CC[C@@H](CO)CNc1nccn2nnnc12 537038726 BGMFJEIWCVJVNC-MRVPVSSYSA-N 234.263 0.116 30 20 BCED C[C@H]1C[C@H](C(=O)NCC2(C#N)CC2)CC(=O)N1 562469172 WUOXUZWBBGSHMP-IUCAKERBSA-N 235.287 0.321 30 20 BCED Cc1ncc(C(=O)NCC2(C#N)CCC2)c(N)n1 562833337 KXXBSKSLLVPXMS-UHFFFAOYSA-N 245.286 0.791 30 20 BCED Cc1cc(CC(=O)NC[C@H](C)C#N)on1 565072119 AFYOQZUWCPQDNG-SSDOTTSWSA-N 207.233 0.801 30 20 BCED Cc1nc(C(=O)NCC[C@H](C)N)ccc1C#N 568148343 SHNUDZAHWNUOJJ-QMMMGPOBSA-N 232.287 0.729 30 20 BCED C=CCN(CCOC)C(=O)[C@](C)(O)COC 571708164 OYINNINFNXTHQD-LLVKDONJSA-N 231.292 0.045 30 20 BCED CNC(=O)CNC(=O)NCC(C)(C)CCC#N 571788149 AWLNURHADUEJKF-UHFFFAOYSA-N 240.307 0.362 30 20 BCED C=C(C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O 572256875 YGBIOMQMHKIGMX-RKDXNWHRSA-N 210.277 0.580 30 20 BCED C[C@H](CCC#N)N1CCC(NC(N)=O)CC1 574522686 CRGMUWRIYZDDOQ-SECBINFHSA-N 224.308 0.811 30 20 BCED N#Cc1c[nH]cnc1=NC1CCN(C2CC2)CC1 575041971 PCSVIOZVAYDOEQ-UHFFFAOYSA-N 243.314 0.809 30 20 BCED C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1CN(C)CC2 576120445 GFAGBOLEHQWXMU-OUAUKWLOSA-N 221.304 0.841 30 20 BCED C=CCn1cc(CNC[C@H](O)CSC)nn1 578006475 GYTAFSIEGBLMLQ-JTQLQIEISA-N 242.348 0.278 30 20 BCED COCCN(CCC#N)C(=O)[C@H](OC)C1CC1 591169194 LCRYLWQMQCMWKZ-LLVKDONJSA-N 240.303 0.800 30 20 BCED C=C[C@H](NC[C@@H]1CCOC[C@H]1OC)C(=O)OC 591375016 RQZSDBMNPFEXJQ-GARJFASQSA-N 243.303 0.355 30 20 BCED C[C@@H](C#N)N(C)C(=O)c1cc2ncccn2n1 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0.902 30 20 BCED C=C[C@](C)(O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 616464211 QKGQNKYWERPRMM-SCVCMEIPSA-N 225.288 0.561 30 20 BCED N#CCN1CCN(C(=O)CCC(F)F)CC1 619437188 RVIFIOOJIUOTKV-UHFFFAOYSA-N 231.246 0.699 30 20 BCED C=C[C@@H](C(=O)OC)N(C)CC(=O)OCC 619717096 SVZTYEMBZJCNPJ-QMMMGPOBSA-N 215.249 0.209 30 20 BCED C=CCC[C@H](CO)NC(=O)C1CC(OC)C1 627679662 PTBBICRXCWIWTP-HSOILSAZSA-N 227.304 0.855 30 20 BCED CC#CC[C@H](CO)NC(=O)C[C@@](C)(O)C1CC1 649184999 VKAYEHVFVPRQEY-DGCLKSJQSA-N 239.315 0.428 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1ccoc1 649193027 VLTUFBOGWFRDKW-JTQLQIEISA-N 207.229 0.784 30 20 BCED O=C(Cc1ccc2c(c1)COC2)NCC#CCO 655057339 NDAFWZCREJGNSX-UHFFFAOYSA-N 245.278 0.371 30 20 BCED C=C[C@H](C)NC(=O)NCc1cn(CC)nn1 660881534 MUBZIIJUIPVZCD-QMMMGPOBSA-N 223.280 0.672 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](C)C(C)(C)CN(C)C 669156571 ZYWFSVJGUHGVTI-UWVGGRQHSA-N 228.336 0.626 30 20 BCED C=CCOCCNC(=O)C(=O)c1cccn1C 673059559 CJFHXUVVVPPNAU-UHFFFAOYSA-N 236.271 0.527 30 20 BCED 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HAUFNEWSCYDVND-IUCAKERBSA-N 211.309 0.427 30 20 BCED C#CCNC(=S)N[C@@H](C)C(=O)N[C@H](C)CC 758214837 TZDUAPMUKLQIGJ-BDAKNGLRSA-N 241.360 0.387 30 20 BCED CC1(O)CCN(Cn2cccc(C#N)c2=O)CC1 758234126 BWFYJZXTRVYTGQ-UHFFFAOYSA-N 247.298 0.524 30 20 BCED C#CCNC(=S)N[C@H]1C[C@@H](C)N(C2CC2)C1 758245982 IOWYQYCGSCQCBI-ZJUUUORDSA-N 237.372 0.709 30 20 BCED C=CCCOCC(=O)NOCC(F)F 759341204 DIRAJXAKRCNLDN-UHFFFAOYSA-N 209.192 0.892 30 20 BCED C[C@H]1CC(=NNc2cccnn2)CN1C 761812763 OMDMHIGRLDYTQI-QMMMGPOBSA-N 205.265 0.969 30 20 BCED CC#CCNC(=O)NC[C@@H](OC)C(F)(F)F 762577396 SAGKEEUKICASAC-SSDOTTSWSA-N 238.209 0.886 30 20 BCED C[C@@H]1[C@@H](C)N(CC(=O)NCCC#N)CCN1C 771463832 ZRPZJBJXUJAMEJ-GHMZBOCLSA-N 238.335 0.041 30 20 BCED CO[C@H]1CCCCC1=NOCC(N)=O 771571158 SHWQZGOZMGHYJP-QMMMGPOBSA-N 200.238 0.433 30 20 BCED Cc1nccn1CCOC(=O)CSCC#N 771905982 SPYTVESNJGSIGP-UHFFFAOYSA-N 239.300 0.992 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)C1(F)CCCC1 773981261 BKXVZQJCOCKPHJ-ZETCQYMHSA-N 212.224 0.724 30 20 BCED CN(CC#N)CN1CCC2(CCOCC2)C1=O 777527339 VZBBNBVBTMVGPI-UHFFFAOYSA-N 237.303 0.428 30 20 BCED N#Cc1ncc(OCCN2CCOC2=O)cn1 777537414 YSRDELCZAGVLHU-UHFFFAOYSA-N 234.215 0.179 30 20 BCED CN1C[C@H](COC(=O)c2c[nH]c(C#N)c2)CC1=O 779233855 JCUGBFKEASAKAH-MRVPVSSYSA-N 247.254 0.521 30 20 BCED COC(=O)N(C)CC(=O)NCC(C)(C)C#N 782100870 JMUILUILCGHRLS-UHFFFAOYSA-N 227.264 0.351 30 20 BCED CC(=NNC1=NC[C@@H](C)N1)[C@@H]1CCCO1 783861297 DJZAFCIGNXQQEM-APPZFPTMSA-N 210.281 0.479 30 20 BCED C#CCOCCNC(=O)NCCOC1CCC1 784343952 PCTSATDTYRXNEE-UHFFFAOYSA-N 240.303 0.505 30 20 BCED CO[C@@H]1CC(=O)N(CN(C)C[C@@H](C)C#N)C1 787210613 GEDULCWPPYXMEB-VHSXEESVSA-N 225.292 0.283 30 20 BCED O=C1Nc2ccc(F)cc2C1=NN[C@@H]1CCOC1 788440318 SMTRLDGXDGAICZ-MRVPVSSYSA-N 249.245 0.860 30 20 BCED C#CCOCCNC(=O)c1ccc2cncn2c1 790947839 ZENWXCGLPHAUKF-UHFFFAOYSA-N 243.266 0.714 30 20 BCED C=C(CO)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 791339618 KDJQVZFYFLURJB-SNVBAGLBSA-N 235.287 0.664 30 20 BCED C[C@H](O)c1nnnn1Cc1ccc(F)cc1C#N 791411808 CQOWEOVLGYJZCX-ZETCQYMHSA-N 247.233 0.785 30 20 BCED Cn1ncc(C(=O)OCC2(C#N)CC2)n1 792537031 XWFQRTSWQAMMKC-UHFFFAOYSA-N 206.205 0.276 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)c1ccc2cncn2c1 793125269 OTYWTKDRVFUPCU-JTQLQIEISA-N 242.238 0.403 30 20 BCED CON=CC(=O)NC[C@@H](C1CC1)N(C)C 809616583 ZGBGNOFNZRQWTN-VIFPVBQESA-N 213.281 0.075 30 20 BCED CC[C@H](O)CCCNC(=O)C=NOC 809713531 IUBQZMXAKDHIGO-QMMMGPOBSA-N 202.254 0.286 30 20 BCED CC#CCS(=O)(=O)NC(=O)c1nccs1 810775620 NCZAEQYZAHZOLZ-UHFFFAOYSA-N 244.297 0.226 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@](C)(OC)C1CC1 812562712 XCSZRIHUNYAQBN-DGCLKSJQSA-N 239.315 0.692 30 20 BCED C#CCONC(=O)c1ccnc(-n2cccn2)c1 812783427 OWTOXISKMUUUNB-UHFFFAOYSA-N 242.238 0.562 30 20 BCED Cc1cc(C)nc(NN=Cc2cn(C)nc2O)n1 814212806 YWIMWFWILIWWMS-UHFFFAOYSA-N 246.274 0.979 30 20 BCED CC(=NNc1nc(C)cc(O)n1)c1cnnn1C 814681656 WMPLVRISYJCIGN-UHFFFAOYSA-N 247.262 0.455 30 20 BCED C#C[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN1C 817165638 OGCLTFVKIMNKFG-MNOVXSKESA-N 223.320 0.744 30 20 BCED C#Cc1ccc(C(=O)N2CC3(CCOC3)C2)nc1 819378859 XEVFINBJXUWRKT-UHFFFAOYSA-N 242.278 0.925 30 20 BCED CO[C@@H]1C[C@@H]2CC(=NNCC(=O)O)C[C@@H]2C1 819814098 WVDUNKQZDUKMQP-MBTKJCJQSA-N 226.276 0.852 30 20 BCED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)NO)C2 819842168 JRMJVEJQILIUJR-RNJXMRFFSA-N 226.232 0.135 30 20 BCED CC(C)C(=O)COC(=O)[C@](C)(C#N)CC(=O)O 819955287 QNRPPQBOQOPYHG-NSHDSACASA-N 241.243 0.759 30 20 BCED C[C@@H]1C[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)O 820228867 VJWHJQSSYONDFD-SOCHQFKDSA-N 224.260 0.763 30 20 BCED CN(CCO)C(=O)c1cc(C#N)ccc1F 821345803 NOFKEMUGKXRJLN-UHFFFAOYSA-N 222.219 0.762 30 20 BCED CC(C)C#CC(=O)N[C@H](C(N)=O)C(C)C 826760687 WQVGPADOHOOBSX-JTQLQIEISA-N 210.277 0.272 30 20 BCED CC(C)C#CC(=O)NCCOC[C@H]1CCCO1 827898296 JXQOTCTTXYJHDY-GFCCVEGCSA-N 239.315 0.958 30 20 BCED CC#CC[C@H](CO)NC(=O)OC[C@H]1CCCO1 828395095 FZVYFPGHTIWPPS-GHMZBOCLSA-N 241.287 0.666 30 20 BCED CC(C)C#CC(=O)NCC(C)(C)S(C)(=O)=O 829670434 HROPBRNNIBDZMV-UHFFFAOYSA-N 245.344 0.585 30 20 BCED C#CCOCCNC(=O)c1c(Cl)cnn1C 832102475 HLTSWICHXFKQMT-UHFFFAOYSA-N 241.678 0.453 30 20 BCED C#CCCS(=O)(=O)N[C@@H]1CCC[C@H]1OCC 832690020 AYDFCBMYOOVKFG-GHMZBOCLSA-N 245.344 0.887 30 20 BCED C#C[C@@H](CCC)NC(=O)Cc1ncc[nH]1 834363869 NITLXUDBALVPDU-VIFPVBQESA-N 205.261 0.870 30 20 BCED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1Cc2ccccc21 834489688 OPOYKPSZWLIHKB-RTXFEEFZSA-N 241.294 0.554 30 20 BCED C#CCn1cc(CNC(=O)CC(C)(C)OC)cn1 834614695 NJVZQFXHRGYDTP-UHFFFAOYSA-N 249.314 0.948 30 20 BCED CC[C@@H]1C(=O)NCCN1C(=O)C#CC1CC1 837401209 UPGGURVZQKSZTB-SNVBAGLBSA-N 220.272 0.137 30 20 BCED C#CC[C@H](NC(=O)CCc1ccco1)C(=O)OC 837928107 BFFXFDAMESSGIR-NSHDSACASA-N 249.266 0.893 30 20 BCED C#CC[C@H](N[C@H](C)COCC)C(=O)OC 839166624 ABTOAMHDRSNVIV-ZJUUUORDSA-N 213.277 0.566 30 20 BCED C#CCOCCC(=O)N[C@H](CC)[C@@H](O)C(C)C 839867257 JGAVRPBZBRKFSR-YPMHNXCESA-N 241.331 0.938 30 20 BCED CC[C@H](NN=C1COC(C)(C)C1)C(=O)O 841642258 LTNDWQVHXRFTPY-QMMMGPOBSA-N 214.265 0.994 30 20 BCED CC[C@H]1CC(=NNC2=NCCN2)CCO1 841659558 AFQCWUUMAMSNLI-VIFPVBQESA-N 210.281 0.480 30 20 BCED C#CCN(CC#CC)C(=O)N[C@H]1CCC[C@H](N)C1 841980743 FAXIAPWGVUTYQG-STQMWFEESA-N 247.342 0.924 30 20 BCED C#CCN(C)C(=O)N[C@H]1CCC[C@H](N)C1 841981169 TVVDXQSXAFKQLP-UWVGGRQHSA-N 209.293 0.531 30 20 BCED CCN(CCO)N=C1C[C@@H](C)O[C@@H]1C 842539129 ZZZZMESKBVHATH-RKDXNWHRSA-N 200.282 0.854 30 20 BCED CCn1ccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)n1 842690319 SNKXVAATJRLMES-SECBINFHSA-N 248.286 0.750 30 20 BCED C=C[C@@H](C)ON1C(=O)N[C@](C)(COC)C1=O 843313999 ARDOJTKEBRCNOB-GMSGAONNSA-N 228.248 0.449 30 20 BCED C#CCOCCC(=O)OC[C@@H]1CCN(C)C1=O 847793486 GKVUMEJXDQTGCR-JTQLQIEISA-N 239.271 0.048 30 20 BCED C/N=C(/NC)NCCN1CCc2ccccc21 849000496 XEOHVXULULHGGT-UHFFFAOYSA-N 232.331 0.844 30 20 BCED C#CCN(CC#N)C[C@@H](OC)[C@@H]1CCOC1 852010725 QUERYFBHWBHSCV-VXGBXAGGSA-N 222.288 0.497 30 20 BCED N#CC1(CN2CC[C@@H](N3CCOC3=O)C2)CC1 852437067 SAMFDQGMCIBGHS-SNVBAGLBSA-N 235.287 0.817 30 20 BCED C#CCCN(CCOC)C[C@H](O)COC(C)C 852751655 COFCJKAGTPMDDN-ZDUSSCGKSA-N 243.347 0.744 30 20 BCED C#CCCN(CCOC)Cc1cnn(C)c1 852751808 GDDZXWGBTDWXHG-UHFFFAOYSA-N 221.304 0.892 30 20 BCED CO[C@H](C=NNS(=O)(=O)C(C)C)C1CC1 853298680 AEFRUPJWKRYXTP-SECBINFHSA-N 234.321 0.725 30 20 BCED C#CCN(C)c1nccc(C(=O)OC)c1[N+](=O)[O-] 856744434 AICJPESWQGAJED-UHFFFAOYSA-N 249.226 0.846 30 20 BCED C#CCCOC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 858996689 NPSCAMCHUAGMEY-IEVXNVSRSA-N 243.328 0.988 30 20 BCED C#CC[C@@H](CCOC)NC(=O)NCCCOC 859025827 BMZAPTRCUSURCW-NSHDSACASA-N 242.319 0.751 30 20 BCED C#CCCOC(=O)N(CC)[C@H]1CCNC1=O 859147112 BHNTWNMXWRGRIQ-VIFPVBQESA-N 224.260 0.357 30 20 BCED C#CCCOC(=O)N[C@H]1CCc2c(nnn2C)C1 859211518 UBUQRRJFURGCHJ-VIFPVBQESA-N 248.286 0.422 30 20 BCED C#CC[C@H](CCOC)NS(=O)(=O)NCCC 859425078 MGOVTYBZMBEKTQ-SNVBAGLBSA-N 248.348 0.249 30 20 BCED C#CCOCCNC(=O)[C@H](CCC)OCC 860773180 OTIFTYJHQBXQAE-NSHDSACASA-N 227.304 0.958 30 20 BCED C#C[C@@H](CC)NC(=O)[C@@H](NC=O)C(C)C 861308934 CXHRAYKTPQTQPU-UWVGGRQHSA-N 210.277 0.285 30 20 BCED C=CCONC(=O)N1CC[C@H](C(=O)O)[C@H](C)C1 861458520 ZGZJDDOBDIDPOP-BDAKNGLRSA-N 242.275 0.856 30 20 BCED C#CCNC(=O)[C@H](C)ONC(=O)OC(C)(C)C 863463025 BWAWNGJBFRXCBB-QMMMGPOBSA-N 242.275 0.581 30 20 BCED C#CC[C@@H](CCOC)NC[C@H](O)COCC 863589370 NJTJVPRQHCMCQX-RYUDHWBXSA-N 229.320 0.402 30 20 BCED C=C(C)COCCNC(=O)c1nc(=N)cc[nH]1 865957919 SARIIUAIZGNJRV-UHFFFAOYSA-N 236.275 0.212 30 20 BCED C=CCCN(C)C(=O)[C@]1(CC)CCNC1=O 867684732 VBXUZKXIIWELTO-GFCCVEGCSA-N 224.304 0.937 30 20 BCED C=CCCO[C@H](C)C(=O)N1CC[C@@](C)(N)C1 868075504 KHIVVPWTDVHHKU-ZYHUDNBSSA-N 226.320 0.917 30 20 BCED C=CCOCCCC(=O)N1CC[C@](C)(N)C1 868076787 JWWHITDBTZQVQD-LBPRGKRZSA-N 226.320 0.919 30 20 BCED C#CC(C)(C)NC(=O)Nc1ccnn1C 879181671 MRYJHKYILWXHCS-UHFFFAOYSA-N 206.249 0.953 30 20 BCED Cc1ccnc(C(N)=NOCC(=O)N(C)C)c1 883053968 RRDWXOFZBXUOJW-UHFFFAOYSA-N 236.275 0.115 30 20 BCED C#CC1(O)CN(C(=O)c2ccc(COC)cc2)C1 890520130 WZJRGUSQLBSABW-UHFFFAOYSA-N 245.278 0.653 30 20 BCED C#CC1(O)CN(C(=O)NCC2CCC2)C1 892046762 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CC(C)(CC#N)CNC(=O)[C@]1(C)CCNC1=O 602156789 AYFQMAWHJGFFCU-GFCCVEGCSA-N 237.303 0.569 30 20 BCED N#C[C@H]1CN(C(=O)C2CC2)CCN1C(=O)C1CC1 602359955 RNHWGKGGXBBSGV-NSHDSACASA-N 247.298 0.369 30 20 BCED CCc1noc(Cn2cc(C#N)nn2)n1 603334050 OPTBEAUZVMQXNM-UHFFFAOYSA-N 204.193 0.143 30 20 BCED CC(C)c1noc(Cn2cc(C#N)nn2)n1 603334935 XELBPRZVTVFCMO-UHFFFAOYSA-N 218.220 0.704 30 20 BCED C[C@@H](NC(=O)NCCO)c1cccc(C#N)c1 610322602 OWUGGMLVEDFMFA-SECBINFHSA-N 233.271 0.911 30 20 BCED CC1CC(C#N)(C(=O)N2CCNC(=O)C[C@H]2C)C1 610713468 GRRMGLCLHZLRDJ-RUETXSTFSA-N 249.314 0.663 30 20 BCED C=C[C@@H](O)C(=O)N[C@H](CCO)C(C)C 612289173 UQSOPMJOOFTKGH-RKDXNWHRSA-N 201.266 0.057 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 612601216 OLCGZGXCIHAPOS-UFBFGSQYSA-N 237.303 0.702 30 20 BCED C=C[C@@](C)(O)C(=O)NCCC[C@@H]1CCOC1 616096047 NJTQEKZKLMMNBC-ZYHUDNBSSA-N 227.304 0.856 30 20 BCED C=C[C@H](C(=O)OC)N1CCO[C@H](COC)C1 619718171 BZVCWJYYFFBDKK-VHSXEESVSA-N 229.276 0.061 30 20 BCED C=C[C@@](C)(O)C(=O)Nc1cc(OC)n[nH]1 628627473 LVOLLTRTIOCUDX-SECBINFHSA-N 211.221 0.294 30 20 BCED C=CC[C@H](CO)CNC[C@@H](O)CN1CCCC1 629584816 URAAAOPXXPLHOX-QWHCGFSZSA-N 242.363 0.217 30 20 BCED C=CC[C@@H](CO)CNC(=O)C1(CN(C)C)CC1 635767418 TWZSREFPSOKETO-LLVKDONJSA-N 240.347 0.629 30 20 BCED C=CCn1cc(C(=O)N2C[C@@H](N)C[C@@H]2C)nn1 638928384 IKSNMUHDHYGSIR-IUCAKERBSA-N 235.291 0.026 30 20 BCED C=CCCOCCNC[C@H](C)S(C)(=O)=O 644609205 YNDRYXMNIKMSKB-JTQLQIEISA-N 235.349 0.602 30 20 BCED CC#CC[C@@H](CO)NC(=O)[C@H](OC)C(C)C 649183279 PJJKODRDRAFZBL-WDEREUQCSA-N 227.304 0.548 30 20 BCED C=C[C@H](C)NC(=O)Cn1nnc2c1CCCC2 654883956 UUFBAMOENGAWNV-VIFPVBQESA-N 234.303 0.848 30 20 BCED C=CCCNC(=O)NCC(=O)NCC(F)F 661568866 ABPNTQOEVNXWFW-UHFFFAOYSA-N 235.234 0.243 30 20 BCED C=C[C@](C)(O)C(=O)NCCN(CC)C1CC1 668151695 MLAYSLBNRDRLJP-LBPRGKRZSA-N 226.320 0.524 30 20 BCED CCOC[C@H]1CCN(CC#CCOC)C1 677820529 QJXWJYAOLCYZDK-LBPRGKRZSA-N 211.305 0.995 30 20 BCED Cn1cc(C#N)c(NC(=O)c2cccnn2)n1 701791169 PTJYTQGACCGSRA-UHFFFAOYSA-N 228.215 0.334 30 20 BCED C=CCCCN1[C@@H](C(=O)O)CC[C@@H]1C(=O)O 703447346 SPVVQRVCATVRGL-RKDXNWHRSA-N 227.260 0.955 30 20 BCED C#CCCS(=O)(=O)N[C@@H]1CSC[C@@H]1C 711015330 APBYVDJINJOAHW-DTWKUNHWSA-N 233.358 0.681 30 20 BCED C#CC[C@@H](CO)NCc1cnn2ccccc12 717741519 VQGLRKXUMMEBPV-LBPRGKRZSA-N 229.283 0.808 30 20 BCED C#CC[C@H](CO)NC(=O)COc1cccc(C)c1 717775261 PSZWYXFUDZVFLC-GFCCVEGCSA-N 247.294 0.874 30 20 BCED C#CCC[C@H](O)CNC[C@@](C)(O)C(F)(F)F 717901402 VTXZRQUQGRFOKG-DTWKUNHWSA-N 239.237 0.664 30 20 BCED C#CCN(CC(=O)O)C[C@@H](COC)C(C)C 721851083 GFLOGRNRYKILCQ-NSHDSACASA-N 227.304 0.925 30 20 BCED C=CCCC(=O)N1CC(n2cncn2)C1 732758702 DBEBBSYWSFLSDV-UHFFFAOYSA-N 206.249 0.628 30 20 BCED CC(C)[C@H](C)C(=O)OCC(=O)NCCC#N 733580264 QCSDUMOYQRJSBU-VIFPVBQESA-N 226.276 0.852 30 20 BCED C#Cc1ccc(C(=O)NCCCC(=O)O)nc1 736092975 OSQUAFBWFJGGDC-UHFFFAOYSA-N 232.239 0.658 30 20 BCED C=CCNC(=O)CNC1(C(=O)O)CCCCC1 736106295 XPFAUDBGICIBBO-UHFFFAOYSA-N 240.303 0.666 30 20 BCED CN(CCCC(=O)OCC#N)C(=O)O 737433819 ZATCYNISVKTXNW-UHFFFAOYSA-N 200.194 0.443 30 20 BCED CC(CCO)=NNc1ncnc2[nH]cnc12 749859127 QIYYQOCPPULXOO-UHFFFAOYSA-N 220.236 0.523 30 20 BCED C=CCNC(=S)NCCN1CCO[C@@H](C)C1 751014749 LXHLTVHRNALHIV-JTQLQIEISA-N 243.376 0.357 30 20 BCED C[C@@H]1CN(C2CC2)CC1=NN1CCN(C)CC1 755874491 POAPUNIELAKVQV-LLVKDONJSA-N 236.363 0.704 30 20 BCED C#CCNC(=S)NC[C@H](C)C[C@H](C)O 758239190 SOOUCFAKYOGMEC-BDAKNGLRSA-N 214.334 0.491 30 20 BCED C#CCCc1noc([C@H]2COCCO2)n1 762011030 VJZLKPWCNCEWEV-MRVPVSSYSA-N 208.217 0.723 30 20 BCED C[C@H]1CC(=NC(=O)CCCn2ccnc2)NO1 763258837 HOSCGSIMACVYHI-VIFPVBQESA-N 236.275 0.902 30 20 BCED N#Cc1cc(NC[C@H](O)c2ccncc2)ncn1 764856907 KVKMSRSGXSXULN-NSHDSACASA-N 241.254 0.889 30 20 BCED C=CCNC(=O)COC(=O)[C@@](C)(O)CCC 770210413 COAISFWMCLLJCZ-NSHDSACASA-N 229.276 0.383 30 20 BCED O=C1CNC(=O)N1N=C/C=C/c1ccco1 770619122 WZWNEBSERUDOKJ-UPJGTIJNSA-N 219.200 0.830 30 20 BCED C#C[C@H](NC(=O)c1cc[nH]c1)[C@H]1CCCO1 772881060 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N#CCN(C(=O)CC1OCCCO1)C1CC1 793184913 AGGUYELEQOAJMB-UHFFFAOYSA-N 224.260 0.654 30 20 BCED COc1ccc(O)c(/C=N/CC(=O)NCC#N)c1 794676145 JWYPOFOGVSDVHK-VGOFMYFVSA-N 247.254 0.459 30 20 BCED Cc1noc(C2CCC(=NNC(=N)N)CC2)n1 797401722 MEJIPDHWGHNBLY-UHFFFAOYSA-N 236.279 0.875 30 20 BCED CNC(=O)CCOC(=O)c1cc(C#N)oc1C 797952028 PUJYHMXMKPYXJD-UHFFFAOYSA-N 236.227 0.753 30 20 BCED C#CC(=O)NC[C@@H](CO)CC1CCCC1 799050634 PNIHXEIBPQYPKP-NSHDSACASA-N 209.289 0.925 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@H](O)c1cccnc1 799076038 PYKAWMQATJRPFX-VXGBXAGGSA-N 248.282 0.006 30 20 BCED C[C@H]1CC[C@@H](C=NN2CC(=O)NC2=O)C1 800809260 HEDSSAZEPUGOCF-JGVFFNPUSA-N 209.249 0.960 30 20 BCED C[C@@H](C#N)OCCOC(=O)[C@H](O)C1CC1 801838138 PUHOQEDKLJIDLF-IONNQARKSA-N 213.233 0.229 30 20 BCED Cc1nn(CCO[C@H](C)C#N)c(C)c1CCO 802733432 UZJCFLBCSNZKKC-SECBINFHSA-N 237.303 0.963 30 20 BCED C=C(CO)C(=O)N1CCN(CC)C[C@H]1C 804379309 KGGUGUDMIAJYGY-SNVBAGLBSA-N 212.293 0.088 30 20 BCED C[C@H](OC(=O)c1cnccc1C#N)C(=O)N(C)C 805718898 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N#Cc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c[nH]1 821329714 GHZNECGIUXGAPM-JTQLQIEISA-N 247.254 0.966 30 20 BCED O=C(O)CCNN=Cc1ccc([N+](=O)[O-])o1 821524985 UWMBMTZOPVWGAH-UHFFFAOYSA-N 227.176 0.586 30 20 BCED C[C@H]1CCN(c2cc(C#N)cnn2)C[C@@H]1C(=O)O 822087923 NUAGFCBTYWYOBV-WPRPVWTQSA-N 246.270 0.895 30 20 BCED C=C(C)CONC(=O)[C@@H]1CCCCN(C)C1=O 824233815 YTJFOBJWJWSNEB-JTQLQIEISA-N 240.303 0.869 30 20 BCED C#Cc1cnc(N(C)CCCOC)nc1 827467518 ASKUEMBWRLRXAV-UHFFFAOYSA-N 205.261 0.931 30 20 BCED N#CCCNC(=O)CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 830274640 RBTHOHLAIVPLGW-ZDEQEGDKSA-N 245.326 0.770 30 20 BCED C=CCOCCNC(=O)C(C)(C)NC(=O)O 833375942 OSNXAXDUDYNMAI-UHFFFAOYSA-N 230.264 0.351 30 20 BCED C[C@H](CC#N)NC(=O)c1cc(C(=O)O)no1 833516433 WOVQLXJSXZOFMM-RXMQYKEDSA-N 223.188 0.405 30 20 BCED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 834481023 ZGHPZAYTUSFGNW-UVOCVTCTSA-N 219.288 0.260 30 20 BCED C=CCONC(=O)N1CCCOCC1 838704449 VYOVZNKWXNCCPM-UHFFFAOYSA-N 200.238 0.536 30 20 BCED C=CCONC(=O)NC[C@]1(C)CCCO1 838711723 KTIYEEXHUKHNHR-JTQLQIEISA-N 214.265 0.972 30 20 BCED CC[C@@H](NC(=O)C=NOC)[C@@H](O)C(C)C 839861794 AGSBMIVYFSTROU-SCZZXKLOSA-N 216.281 0.530 30 20 BCED C=C(C)CN(C)C(=O)[C@H]1NC(=O)O[C@@H]1C 841412962 FYTBDLWINICAQR-SFYZADRCSA-N 212.249 0.518 30 20 BCED C#C[C@H](C)NC(=O)NCC1(C)CCNCC1 841970231 SDXFWGCSVDGJHQ-JTQLQIEISA-N 223.320 0.697 30 20 BCED C#CCCCOC(=O)c1cn(CCOC)nn1 842118893 FSVPBRWAAFZYCX-UHFFFAOYSA-N 237.259 0.495 30 20 BCED C[C@@H]1CC(=NNCCCN2CCOCC2)CO1 842531447 GOTZVLYGLWQSCL-LLVKDONJSA-N 241.335 0.463 30 20 BCED C[C@@H](CO)N(C)N=Cc1cnc2ncccn12 842542423 PJYBQRZPIIBKLL-VIFPVBQESA-N 233.275 0.376 30 20 BCED C=CCN1CC[C@H](N2C[C@@H]3[C@@H](C2)C3(F)F)C1=O 844463692 SYJZBBMVVCCVLQ-BBBLOLIVSA-N 242.269 0.970 30 20 BCED C=C[C@H](C)ONC(=O)N[C@H](C(N)=O)C(C)(C)C 845627576 RNRVSTSMFHABTI-JGVFFNPUSA-N 243.307 0.692 30 20 BCED CC#CCN(C)C(=O)Cc1nonc1C 846227612 BEBQSHIFAVAFHN-UHFFFAOYSA-N 207.233 0.402 30 20 BCED C=C[C@@H](C)ONC(=O)CS(=O)(=O)CC(C)C 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717843528 DITNSIHVRHSHLS-SECBINFHSA-N 234.255 0.291 30 20 BCED C#CCC[C@@H](O)CNC(=O)c1cc(C)nn1C 717843778 HWKWVFWUVBFPNN-SNVBAGLBSA-N 235.287 0.233 30 20 BCED C#CCC[C@@H](O)CNC(=O)CC(C)(C)OC 717904152 PWQYVXXTSXYQNG-SNVBAGLBSA-N 227.304 0.692 30 20 BCED CNC(=O)c1ccc(C=NNCCCO)cc1 729933073 RCOXCXLTJUDPEU-UHFFFAOYSA-N 235.287 0.352 30 20 BCED C#CCN1CCN(C(=O)c2c[nH]cc2C)CC1 733163316 JGOFMJFHTSNQJB-UHFFFAOYSA-N 231.299 0.714 30 20 BCED C[C@H](C#N)NC(=O)CCCN(C)C(=O)O 736200849 DUMAJLOPLCZVGQ-SSDOTTSWSA-N 213.237 0.405 30 20 BCED C[C@@H](CNC(=O)c1ccc(C#N)nc1)C(=O)O 736600567 PMISDFXSJPPCGO-ZETCQYMHSA-N 233.227 0.404 30 20 BCED N#Cc1ncn(CC(=O)c2cc(C(=O)O)co2)n1 739146080 ZUSGTRLFWJUUGU-UHFFFAOYSA-N 246.182 0.324 30 20 BCED Cn1ccnc(NN=C2CCn3cccc32)c1=O 748080430 XKYXSTRULBJWQY-UHFFFAOYSA-N 243.270 0.802 30 20 BCED N#Cc1c[nH]c(C(=O)NC[C@@H](O)c2ccco2)c1 748294028 BMFLCDIFMGILHC-SNVBAGLBSA-N 245.238 0.943 30 20 BCED CCOCCON=C(C)CN1C(=O)CCC1=O 754974578 WJKUFNAKDPSKMH-UHFFFAOYSA-N 242.275 0.564 30 20 BCED C[C@@H]1C[C@H]1C=Nn1c(S)nncc1=O 766482984 QMAFNFAHWHIOPG-RITPCOANSA-N 210.262 0.417 30 20 BCED CC(C)OCC(=O)[C@H](C#N)C(=O)c1nccn1C 770860816 BKNADUYULNYUGY-VIFPVBQESA-N 249.270 0.737 30 20 BCED C#CC(=O)N1CCO[C@@H](COC(C)C)C1 771670334 JIMIYPRIBPFRGB-SNVBAGLBSA-N 211.261 0.272 30 20 BCED C=CCNC(=O)[C@H](C#N)C(=O)c1nccs1 774055039 VANJLTNZWSBGFW-SSDOTTSWSA-N 235.268 0.768 30 20 BCED CC(C)COC(=O)COC(=O)CSCC#N 776371556 AQROKBSCDUMOKH-UHFFFAOYSA-N 245.300 0.986 30 20 BCED CSCC[C@@H](O)C(=O)N=C1C[C@@H](C)ON1 777436376 RSXARSZWGJBEQA-RNFRBKRXSA-N 232.305 0.339 30 20 BCED C[C@H]1CN(C2CC2)CC1=NNC1=NC[C@@H](C)N1 779786483 RFOOVOGDFKWONB-DTWKUNHWSA-N 235.335 0.394 30 20 BCED C[C@H]1NC(=S)N(Cc2ccc(C#N)cn2)C1=O 780145953 PRIKGPRQNOTZLR-SSDOTTSWSA-N 246.295 0.558 30 20 BCED C=CCCOC(=O)c1cccc(C(N)=O)n1 781727165 RAOWUNRFARLNJG-UHFFFAOYSA-N 220.228 0.913 30 20 BCED COC1CCC(=NN[C@@H](C)CO)CC1 783855656 ODATYQAZMCWVNK-PEHGTWAWSA-N 200.282 0.902 30 20 BCED CN1C(=O)CC[C@H]1C(=O)Nc1ccc(C#N)cn1 783956007 FCTZRCUEVCZITL-VIFPVBQESA-N 244.254 0.513 30 20 BCED C[C@]1(NC(=O)NCCC#N)CCCOC1 787359612 REFQBUIIBDWPGI-JTQLQIEISA-N 211.265 0.768 30 20 BCED Oc1cccc(C=NN[C@H]2CCOC2)c1O 788449678 ZQHVUZOWHVENGR-VIFPVBQESA-N 222.244 0.810 30 20 BCED CC[C@@H](NCc1ccc(C#N)cn1)C(=O)OC 790451061 HSINQISNKZVEGG-LLVKDONJSA-N 233.271 0.994 30 20 BCED COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)C#N 794215429 HPWBTEPYQKXOMJ-FXQIFTODSA-N 228.223 0.258 30 20 BCED C[C@@H](COC(=O)c1ccc(C#N)o1)[N+](=O)[O-] 797279842 LIOGJHHDSUKVOO-LURJTMIESA-N 224.172 0.973 30 20 BCED C#Cc1cncc(C(=O)NCCNC(=O)C=C)c1 798290724 AEOCBTQTQKCSDK-UHFFFAOYSA-N 243.266 0.095 30 20 BCED C#CCN(CC#N)C(=O)COC1(C)CCC1 798805226 DOMDYFVLHUQIOW-UHFFFAOYSA-N 220.272 0.931 30 20 BCED O=C1CC(=NN2CCOCC2)[C@@H]2CCCCN12 799465676 IXDCYJGDBDKSIU-NSHDSACASA-N 237.303 0.459 30 20 BCED C#CCSCCNC(=O)c1n[nH]cc1C 799636102 FWNYCIBLRBRNOM-UHFFFAOYSA-N 223.301 0.814 30 20 BCED C#Cc1ccc(C(=O)N(C)CCOCCO)nc1 800686435 KOYXLXQMTUTUAJ-UHFFFAOYSA-N 248.282 0.144 30 20 BCED CC(C)C(=O)CCN1CCOC[C@@H]1C#N 808736441 DJYVBZYGQKRNPX-JTQLQIEISA-N 210.277 0.826 30 20 BCED CCC[C@](C)(O)CNC(=O)C=NOC 809689414 NTRBSPOTUVVPLW-VIFPVBQESA-N 202.254 0.286 30 20 BCED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCCO1 810781148 HFZPTTAIYAYFCD-SECBINFHSA-N 245.300 0.025 30 20 BCED COC[C@@H](C)NN=Cc1cnc(N(C)C)n1C 811646894 PSGLTGHLAAPZPF-SECBINFHSA-N 239.323 0.445 30 20 BCED CCOC(=O)[C@H](C)NC(=O)CCCC#N 812479525 GCXYEDKQOOVCHO-QMMMGPOBSA-N 212.249 0.748 30 20 BCED C=C[C@@H](O)C(=O)O[C@H](C)c1nnnn1C1CC1 814547519 AZTBFYOVZSDJJE-HTRCEHHLSA-N 238.247 0.159 30 20 BCED C=CCC(F)(F)C(=O)N1C[C@H](O)C[C@H]1CO 816179426 CDTTVUPZUNHOMJ-JGVFFNPUSA-N 235.230 0.152 30 20 BCED C=CCNC(=S)N1C[C@@H](CO)OC(C)(C)C1 817563740 CGILDWDYXXJEDX-VIFPVBQESA-N 244.360 0.519 30 20 BCED CCO[C@@H]1CC(=NN[C@H](C)CO)[C@]12CCCO2 819809033 ZDHOYAGNEMIRQP-YUSALJHKSA-N 242.319 0.671 30 20 BCED OCCN1CCC(=NN[C@@H]2CCSC2)CC1 819812391 CBQGPYWNMVJOBL-LLVKDONJSA-N 243.376 0.526 30 20 BCED C[C@@](C#N)(CC(=O)O)C(=O)NCc1ccc[nH]1 819842119 JHFBVNDABDUMQL-NSHDSACASA-N 235.243 0.635 30 20 BCED C#CC[C@@H](CO)NC(=O)NCc1cc(C)on1 820356375 BOCJEELUJWULMW-VIFPVBQESA-N 237.259 0.166 30 20 BCED C=CCN(CC(=O)OCC)C(=O)[C@@H](C)N(C)C 821329880 NYQZMZCALXAZML-SNVBAGLBSA-N 242.319 0.514 30 20 BCED C#C[C@H](NC(=O)CN1CCOC1=O)C(C)(C)C 822959873 XXCWKYVBHXTBDU-VIFPVBQESA-N 238.287 0.603 30 20 BCED CC#CC[C@@H](CO)NC(=O)[C@@H](O)CCC 823728655 QWXUMZAYIJSOGD-UWVGGRQHSA-N 213.277 0.038 30 20 BCED CC1CC(C#N)(C(=O)NC2CN(C(=O)O)C2)C1 825783263 FHXHNUQVHMRSCK-UHFFFAOYSA-N 237.259 0.405 30 20 BCED C#CCOCCC(=O)Nc1ncccc1CO 827323083 MHTMZBKZQFZNMF-UHFFFAOYSA-N 234.255 0.552 30 20 BCED C=C[C@H](O)C(=O)N1CCc2ccc(O)cc2C1 830530977 CYSRWEPCBMUIDM-LBPRGKRZSA-N 233.267 0.824 30 20 BCED C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CNC2)C(C)C 831088306 VTENOKMEVOMWCN-SRVKXCTJSA-N 235.331 0.790 30 20 BCED C=C[C@@H](C)OC(=O)Cn1cc(C(C)=O)nn1 835328633 QIENQFAALGQKBG-SSDOTTSWSA-N 223.232 0.598 30 20 BCED C#CCO[C@@H](C)C(=O)O[C@]1(C)CCOC1 835408906 AYSKVJFQUWLULM-GXSJLCMTSA-N 212.245 0.747 30 20 BCED C=C(CO)C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C 836844107 OQKMJTORBMLGLN-VXGBXAGGSA-N 243.347 0.940 30 20 BCED C=C(CO)C(=O)N1CCCC[C@H]1COCC 837985116 NVCDELKAZXSOIS-NSHDSACASA-N 227.304 0.953 30 20 BCED C#CCOCCC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C 839844375 GTTUJXWGKGMEHT-TUAOUCFPSA-N 239.315 0.956 30 20 BCED C=C(Br)CNC(=O)N[C@@H]1CCNC1 841746067 VDYQDNRRDNHUHR-SSDOTTSWSA-N 248.124 0.556 30 20 BCED C=CCOCCONC(=N)CN1CCOCC1 842029823 RBOHGZSQDXIDSC-UHFFFAOYSA-N 243.307 0.020 30 20 BCED C#CCNC(=S)N[C@H]1CCS[C@H]1C 843290861 QCMFCDJMNMFQEU-YUMQZZPRSA-N 214.359 0.978 30 20 BCED C=C(C)CONC(=O)N1C[C@H](O)C[C@H]1C 845606205 FQTMFGPYYQYSLB-RKDXNWHRSA-N 214.265 0.659 30 20 BCED C[C@H](CN=C(N(C)C)N(C)C)N(C)C 848996519 BFNZBADTXAFZIK-SECBINFHSA-N 200.330 0.416 30 20 BCED C#CCOCCN[C@@H](C)[C@H](C)C(=O)OCC 851932012 ASEZJDNBQBQDSZ-QWRGUYRKSA-N 227.304 0.814 30 20 BCED C=CCCn1cc(C=NN[C@@H]2CCCOC2)nn1 853335767 GDLVCBPJWLDDPT-LLVKDONJSA-N 249.318 0.957 30 20 BCED CC[C@H](NN=Cc1ccc(CO)cc1)C(=O)O 853349096 SYIYHKTXSDORRC-NSHDSACASA-N 236.271 0.966 30 20 BCED C#C[C@@H](Nc1cc(C#N)cnn1)[C@@H]1CCCO1 853484046 WFPCUQNHMHLWGB-MNOVXSKESA-N 228.255 0.941 30 20 BCED C#C[C@H](C)N(C)c1ncnc2c1nnn2C 853541151 POVBYEVCYPDFGG-ZETCQYMHSA-N 216.248 0.216 30 20 BCED C#C[C@H](CC)NC(=O)N(C)C1CC(O)C1 854075009 KMZJKMVHLPHBPH-XNWIYYODSA-N 210.277 0.563 30 20 BCED C#CC[C@H](CO)NC(=O)c1coc(OCC)n1 854543264 ACGLZHQUHXPJGB-MRVPVSSYSA-N 238.243 0.187 30 20 BCED C#CCOc1ccc(CN(CCO)CCO)cc1 862429158 BZEFZFKTZVPQQK-UHFFFAOYSA-N 249.310 0.485 30 20 BCED C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN1C 863786525 CBOPKIJCXMAKEJ-NWDGAFQWSA-N 238.331 0.625 30 20 BCED C#CCNC(=O)NCCN(C)CC(F)F 864405735 PIJKUFRJUQQJHK-UHFFFAOYSA-N 219.235 0.116 30 20 BCED C#CCNC(=O)[C@@H](C)SCCC(=O)OCC 865378346 MQMOQLYONIXEKA-SECBINFHSA-N 243.328 0.811 30 20 BCED C=C(Cl)CNS(=O)(=O)CCCN(C)C 866812556 DGBMTOPCSPEFCV-UHFFFAOYSA-N 240.756 0.610 30 20 BCED CCCn1cc(C=NN[C@@H]2CCOC2)nn1 872372281 VHPQXKKEQRETFQ-SECBINFHSA-N 223.280 0.401 30 20 BCED C[C@H](N)[C@@H]1CCN(C(=O)C#CC2CC2)C1 876796592 MLJXNANFIPDRJG-GXSJLCMTSA-N 206.289 0.596 30 20 BCED C#C[C@@H](C)NC(=O)Nc1ccn(C)c(=O)c1 879780712 LWOSZPXQVHVLMK-MRVPVSSYSA-N 219.244 0.529 30 20 BCED C=CC(C)(C)CC(=O)N1C[C@@H](CO)[C@H](CO)C1 880827358 SYRGWCTXZHRXAS-QWRGUYRKSA-N 241.331 0.648 30 20 BCED CCOC(=O)c1cn(CCO[C@H](C)C#N)nn1 881323648 MPJQBLLBGMWSQM-MRVPVSSYSA-N 238.247 0.383 30 20 BCED COC[C@@H](C)NC(=S)NN=C1COC[C@@H]1C 884387445 TVCSCYQMIJSWTP-JGVFFNPUSA-N 245.348 0.508 30 20 BCED C[C@@H]1COCC1=NNCCCN1CCOCC1 884462080 VETVJNCIFNIRKX-LLVKDONJSA-N 241.335 0.321 30 20 BCED C#CC1(O)CN(C(=O)c2csc(NC)n2)C1 890527778 YTFXKJXKQDGCCM-UHFFFAOYSA-N 237.284 0.005 30 20 BCED N#CCCCCNC(=O)N1C[C@@H]2CC[C@H](C1)N2 891512802 UCEROLOIMUDUJW-PHIMTYICSA-N 236.319 0.826 30 20 BCED CN1C[C@@H](Nc2ccc(C#N)cc2CO)CC1=O 892622931 LMSUBGIBADUQIV-NSHDSACASA-N 245.282 0.693 30 20 BCED C=CC[C@H](C)NC(=O)N[C@H]1C[C@@H](C)OC1=O 896348658 JQJPCJOCOJRQBY-YIZRAAEISA-N 226.276 0.954 30 20 BCED C#CCSCC(=O)NC[C@H]1CC[C@H](O)C1 897532652 UIZYGARBOYXANZ-UWVGGRQHSA-N 227.329 0.630 30 20 BCED C#CCNC(=S)N1CC[C@H](OCC)C1 899591582 BSGAWDQCIXYBGA-VIFPVBQESA-N 212.318 0.605 30 20 BCED Cc1ccc(C#N)nc1N1CCO[C@H](C(=O)O)C1 900945802 PVTKTXHEXMIBQL-JTQLQIEISA-N 247.254 0.552 30 20 BCED CC1=NO[C@](C)(C(=O)N2CCOC[C@@H]2C#N)C1 903623951 NIXMQOHEGIMNHF-ONGXEEELSA-N 237.259 0.292 30 20 BCED C=CCCCS(=O)(=O)NCc1cn(C)cn1 908091274 KXMNGFYPFAKHCT-UHFFFAOYSA-N 243.332 0.806 30 20 BCED C#CC[C@@H](NC(=O)c1ccn(C(C)C)n1)C(=O)O 910054103 IZZHGKUCCIRDHE-SNVBAGLBSA-N 249.270 0.670 30 20 BCED C#CC[C@@H](NC(=O)COCCC=C)C(=O)O 910054946 UXDDBQIEBFOSMF-SECBINFHSA-N 225.244 0.172 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@@H](CO)c1cccnc1 910962242 OYGQZENMMYEPEP-CMPLNLGQSA-N 236.271 0.168 30 20 BCED C=CCCC[C@@H](N)C(=O)N1CC[C@@H](NC)C1 911656435 NKICNIIQLBIMMJ-GHMZBOCLSA-N 225.336 0.490 30 20 BCED C#CC[C@H](CCOC)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 913348379 MMXQAJWWTREKPZ-LYIQGSDWSA-N 249.310 0.756 30 20 BCED CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)c[nH]1 913536237 NPKPSPCOEGGVFO-PHIMTYICSA-N 244.298 0.805 30 20 BCED Cn1nccc1C=Nn1c(S)nnc1S 914555083 JHEQDVQTFGGNNB-UHFFFAOYSA-N 240.317 0.471 30 20 BCED CC(=NNC(=N)N)c1nc2ccccc2n1C 915050891 NFFKGZHBQMXHRX-UHFFFAOYSA-N 230.275 0.780 30 20 BCED N#C[C@@]1(NC(=O)C2=COCCO2)CCSC1 917126450 ZTFINXKGZWIXPJ-JTQLQIEISA-N 240.284 0.390 30 20 BCED CC(C)(C#N)CS(=O)(=O)NC[C@H]1C[C@H](O)C1 919253987 LCFBKTXWTDCTIH-KYZUINATSA-N 246.332 0.226 30 20 BCED C#CC[C@H](CO)NC(=O)N[C@H](CC)C1CC1 923295733 FWRRLUWLOBVKAA-GHMZBOCLSA-N 224.304 0.858 30 20 BCED N#CC1(CN2C(=O)N[C@H](CC(F)F)C2=O)CC1 925321983 TYDSXYKHYDEEJV-ZCFIWIBFSA-N 243.213 0.866 30 20 BCED C#CC[C@@H]1NC(=O)N(CC2=CCCOC2)C1=O 927714640 PDDUGGTUFVMDPX-JTQLQIEISA-N 234.255 0.277 30 20 BCED C#CCN(C(=O)c1cn(CC=C)nn1)C(C)C 928623774 PSMMTNIFRRSAGT-UHFFFAOYSA-N 232.287 0.948 30 20 BCED C#CCN(C(=O)CCC(=O)NCC)C(C)C 928629131 KNLQBNJNNYRPHG-UHFFFAOYSA-N 224.304 0.773 30 20 BCED CC#CCN1C[C@H]2[C@H](NC(=O)c3ccc[nH]3)[C@H]2C1 958221711 WCRFNMPLHIWROF-PJXYFTJBSA-N 243.310 0.698 30 20 BCED C#CCNC1CC2(C1)CC(NC(C)=O)C2 963427746 ARILHOGACLDDMQ-UHFFFAOYSA-N 206.289 0.657 30 20 BCED C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn[nH]2)C1 967158122 SVBPJKZWAUBXOE-KOLCDFICSA-N 249.318 0.431 30 20 BCED C#CCN(C)[C@H]1CCN(C(=O)c2cnco2)C1 972042492 MIPFDKPGRJNCQN-JTQLQIEISA-N 233.271 0.454 30 20 BCED C#CCN[C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C 985968471 FUDLDAFTWDCTTD-NEPJUHHUSA-N 246.314 0.095 30 20 BCED C=CCN[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1C 987069305 PLYQIIPSSHUSCD-PWSUYJOCSA-N 248.330 0.717 30 20 BCED C=CCN[C@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 988786570 RKJLHENGYUDRMV-ZJUUUORDSA-N 249.318 0.194 30 20 BCED C[C@@H]1[C@H](NC(=O)c2cocn2)CCCN1CC#N 993106106 NWZOFGHGBVJSMS-NXEZZACHSA-N 248.286 0.781 30 20 BCED N#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 998487156 MAAHSLADGOUJAA-GHMZBOCLSA-N 237.303 0.270 30 20 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235.349 0.889 30 20 BCED COC[C@H]1CN(Cc2cc(C#N)n(C)c2)CCO1 191381120 IUTDPKPZYSAVBF-CYBMUJFWSA-N 249.314 0.744 30 20 BCED COC[C@@H](O)CCNCc1cc(C#N)n(C)c1 191524405 WOFMQIYEMDFMQP-LBPRGKRZSA-N 237.303 0.384 30 20 BCED N#Cc1c[nH]c(C(=O)NCCCCO)c1 192564550 GJIGZTAWSUQFFY-UHFFFAOYSA-N 207.233 0.389 30 20 BCED CO[C@H](C)/C(N)=N/OCCO[C@@H]1CCCCO1 194718117 PQNIPIYLUGYDKO-NXEZZACHSA-N 246.307 0.853 30 20 BCED C#C[C@@H](CC)NC(=O)CN1CCCC1=O 233907108 PHVHCAZKIXVGTN-VIFPVBQESA-N 208.261 0.137 30 20 BCED CC[C@@](C)(C#N)C(=O)NCc1ncn(C)n1 233957146 RUPRVIAWIDXRCS-JTQLQIEISA-N 221.264 0.371 30 20 BCED C[C@H](CO)CNc1ncc(C#N)cc1[N+](=O)[O-] 235463574 MIRNIHWTRVGTKF-ZETCQYMHSA-N 236.231 0.902 30 20 BCED C=CCCS(=O)(=O)N1CCCC[C@H]1CN 237861467 GZITWHCZRSBGHZ-JTQLQIEISA-N 232.349 0.706 30 20 BCED COc1ccc(C=NNC(=N)N)cc1F 252453502 MDPPGXKIYZFURC-UHFFFAOYSA-N 210.212 0.651 30 20 BCED NC(=O)CCC/N=C\c1ccc(O)c(O)c1O 255168967 MYPDZALOPHBSKR-MLPAPPSSSA-N 238.243 0.488 30 20 BCED 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218.260 0.536 30 20 BCED CCN1C[C@H](C(=O)N(C)[C@H](C)C#N)CC1=O 294180350 DQFBUWQHIOVZSX-RKDXNWHRSA-N 223.276 0.225 30 20 BCED C=C[C@@H](CO)NC(=O)NC[C@H](OC)C1CC1 297511117 PDKUMIGDMJDCCW-UWVGGRQHSA-N 228.292 0.258 30 20 BCED C#CCN(CC)C(=O)c1cccc(C(=O)OC)n1 299146407 WSMPTLCQUACMRA-UHFFFAOYSA-N 246.266 0.964 30 20 BCED C#C[C@@H](NC[C@@H](O)CN1CCCC1)C(C)C 300965208 RLLAFSBMYCQMAF-CHWSQXEVSA-N 224.348 0.691 30 20 BCED C=C[C@H](C(=O)OC)N1CCC[C@@H](N(C)C)C1 301044009 LYPZUEIHDQYGPF-GHMZBOCLSA-N 226.320 0.740 30 20 BCED CCNC(=NCCC(=O)N(C)C)NCC 303256165 HIVMKUCUJFQBAX-UHFFFAOYSA-N 214.313 0.040 30 20 BCED CC(C)CN(CCO[C@H](C)C#N)CC(N)=O 304226087 JCXTXJGZLAARHX-SNVBAGLBSA-N 227.308 0.358 30 20 BCED C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](CO)C1 304439401 VWDQAFCLZLHVTO-MNOVXSKESA-N 239.319 0.061 30 20 BCED N#CCCCCS(=O)(=O)N1CCC[C@H](O)C1 305187273 FIHKMSWNJRVZHH-JTQLQIEISA-N 246.332 0.467 30 20 BCED C#CCOCCC(=O)N[C@@H](C)CCCO 305329951 CKHDURFWFLUBJU-JTQLQIEISA-N 213.277 0.304 30 20 BCED C#CC(=O)NCc1nnc(SC)s1 306273359 ZEMNPVYZBMTOMS-UHFFFAOYSA-N 213.287 0.509 30 20 BCED C[C@H](CCC#N)N1CCS(=O)CC1 307685018 XGEYMGRPGXABCD-SECBINFHSA-N 200.307 0.743 30 20 BCED CCCCCC(=O)N[C@@H]1CNC[C@@H]1C#N 309845519 SUHPDSQJUFDPBB-VHSXEESVSA-N 209.293 0.794 30 20 BCED O=S1(=O)CCC[C@H]1C/N=C(/O)N1CCCO1 329677135 VCBLFLPCCWTDNF-QMMMGPOBSA-N 248.304 0.115 30 20 BCED CN1CCO[C@H](/C(O)=N/CC2(C)COC2)C1 329870955 CBBSRJAZURMWEA-VIFPVBQESA-N 228.292 0.310 30 20 BCED Cn1cnnc1C/N=C(/O)[C@H]1CCCN1C1CC1 330257890 LZGDFPCITOPGCC-SNVBAGLBSA-N 249.318 0.898 30 20 BCED COC[C@@](C)(C#N)NC(=O)Cn1cc(C)cn1 330478622 KXPUVJLIELLSBE-LLVKDONJSA-N 236.275 0.236 30 20 BCED C[C@H](C#N)NC(=O)CCc1nc(N(C)C)no1 331097072 ATKHSZRISMEHTH-SSDOTTSWSA-N 237.263 0.096 30 20 BCED C=CC[C@@H](CO)NS(=O)(=O)N(C)CC1CC1 331796683 WGWAJMNKTBZQMR-JTQLQIEISA-N 248.348 0.100 30 20 BCED CCOCC(=O)N[C@](C)(C#N)COC 332519800 RCDLQTIUOVLTHZ-SECBINFHSA-N 200.238 0.068 30 20 BCED C[C@@H](C#N)CN1C(=O)N2CCC[C@@]2(C)C1=O 334294576 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IPXNKZRRYQRGNJ-JTQLQIEISA-N 240.303 0.990 30 20 BCED N#CCc1cccc(C(=O)Nc2nn[nH]n2)c1 342851193 DFGVBKYCGBVXKL-UHFFFAOYSA-N 228.215 0.518 30 20 BCED C=C[C@@](C)(O)CC(=O)NCCN(CC)C1CC1 343277747 YDYOFAZCEQNFSV-CYBMUJFWSA-N 240.347 0.914 30 20 BCED C=C(C)CN(CC)C(=O)[C@@H]1COCCN1C 343321539 LFEJTYPUJPCEIO-NSHDSACASA-N 226.320 0.742 30 20 BCED CC(C)[C@@H](C#N)NC(=O)c1cc2n(n1)CCCO2 343678302 UINLQUSLPFPONU-SNVBAGLBSA-N 248.286 0.944 30 20 BCED COCC[C@](C)(C#N)NC(=O)[C@@H]1CO[C@H](C)C1 344905566 LUHMOOUSGIUMAC-JFGNBEQYSA-N 240.303 0.846 30 20 BCED C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccon1 346839441 SYDQKARPPFUMKV-BDAKNGLRSA-N 239.275 0.972 30 20 BCED N#Cc1ccc(CN2[C@H](CO)CC[C@@H]2CO)cc1 347291696 BROXCRHWWMNLMA-OKILXGFUSA-N 246.310 0.876 30 20 BCED COCC1(NC(=O)CSCC#N)CCC1 347646886 GLUVWNYSGWHGGV-UHFFFAOYSA-N 228.317 0.928 30 20 BCED C=CCOCC(=O)N(C)[C@H](C)C(=O)OC(C)C 347895317 FPGWPNSYVGOUNE-SNVBAGLBSA-N 243.303 0.988 30 20 BCED N#CCCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 352086939 QZNVSYOJLLFFDK-MRVPVSSYSA-N 249.236 0.900 30 20 BCED C=CCCC1(C(=O)NCCC(=O)NC)CC1 355134384 OMRPHYVZEQRQGJ-UHFFFAOYSA-N 224.304 0.985 30 20 BCED CC#CCCNC(=O)c1cc(C)nc(NC)n1 355740421 REFCIJRHMJFXCO-UHFFFAOYSA-N 232.287 0.970 30 20 BCED CCCN(CC(=O)NCC#N)CC(C)(C)O 357971347 HOSMHOZSBLQREM-UHFFFAOYSA-N 227.308 0.109 30 20 BCED CCO[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CCOC1 358475811 OKUZKUNMJSWMLO-KKZNHRDASA-N 224.260 0.210 30 20 BCED COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)[C@@H](C)C#N 359103039 KCSLELCHEIMQPR-GUBZILKMSA-N 238.287 0.946 30 20 BCED CCCNC(=O)CCNC(=O)CCCC#N 360035717 GLBMRUJTTFNQON-UHFFFAOYSA-N 225.292 0.713 30 20 BCED C=CCOCC(=O)Nc1ccn(CC(F)F)n1 361206546 MKZGKAJSIMFPTG-UHFFFAOYSA-N 245.229 1.289 30 20 BCED C[C@@H](C#N)C(=O)NCCCO[C@@H]1CCOC1 362568840 KEDQKOVNUIKQGY-VHSXEESVSA-N 226.276 0.458 30 20 BCED C#CCNC(=O)N1CC([C@H]2CCOC2)C1 368457817 LKEJJHDUWGMGGT-VIFPVBQESA-N 208.261 0.298 30 20 BCED CSCCNC(=O)CSCC#N 379338866 RDCLSARZYFSCMP-UHFFFAOYSA-N 204.320 0.722 30 20 BCED C=CCS(=O)(=O)CCN[C@H](C)[C@H](C)OC 379974096 CPSXATSYDGYXRD-ZJUUUORDSA-N 235.349 0.600 30 20 BCED CCN(C)C[C@@H](O)CN(CC)C[C@@H](C)C#N 381089869 UUQSPNHFJSWAEZ-NWDGAFQWSA-N 227.352 0.781 30 20 BCED O=C(O)Cn1cc(C=NOCC2CC2)nn1 381635323 VAWFORARWJTOMU-UHFFFAOYSA-N 224.220 0.123 30 20 BCED N#CCCOCCN(CCCO)C1CC1 385182368 CYLHUMWLTFNBRG-UHFFFAOYSA-N 212.293 0.763 30 20 BCED C[C@H]1[C@@H](C(=O)O)CCN1CCOCCC#N 385325657 SMDMWLDJVYLCCO-UWVGGRQHSA-N 226.276 0.712 30 20 BCED C[C@@H]1[C@@H](CO)CCN1C(=O)C(C)(C)C#N 386346354 XTZFAHCPVVVSFZ-RKDXNWHRSA-N 210.277 0.765 30 20 BCED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 387491898 WMTPAKWWPLYWTL-DOLQZWNJSA-N 208.261 0.972 30 20 BCED C#C[C@H](CC)NS(=O)(=O)c1cnn(C)c1C 390522144 GWBDNNSMDZYTIQ-SECBINFHSA-N 241.316 0.419 30 20 BCED CN1CCN/C1=N/CCCNC(C)(C)C 390750099 CDKFKYPARFYSCF-UHFFFAOYSA-N 212.341 0.656 30 20 BCED CCNC(=O)CN1CCC[C@H](CC#N)C1 397679392 JVQQMGPFODHRDK-SNVBAGLBSA-N 209.293 0.748 30 20 BCED COCCN1CCC[C@@H](NC(=O)CC#N)C1 398969902 VIEGKVDJYHFNNQ-SNVBAGLBSA-N 225.292 0.127 30 20 BCED CN1CCC(Nc2cncc(C#N)n2)CC1 401241220 VPKROTACZXDGQB-UHFFFAOYSA-N 217.276 0.854 30 20 BCED CC[C@H](C#N)C(=O)N1CCC(CO)(OC)CC1 402638854 DJHUMCBAMPWTSL-SNVBAGLBSA-N 240.303 0.536 30 20 BCED CC[C@]1(CO)CCCN1C(=O)NCCC#N 408366943 RAGKEQMDQPYSAG-LLVKDONJSA-N 225.292 0.847 30 20 BCED CC(C)(CC#N)CS(=O)(=O)N1CCOCC1 408458405 TYMGRQOXDCGFMT-UHFFFAOYSA-N 246.332 0.588 30 20 BCED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(=O)n(C)n1 413264908 IRACWPPYGKRWJX-ZWNOBZJWSA-N 249.314 1.173 30 20 BCED CC[C@@H](CC#N)NC(=O)c1ccc2nn[nH]c2n1 416203438 MFGVUKJCVIBUBG-ZETCQYMHSA-N 244.258 0.775 30 20 BCED CC(C)OC[C@@H](CO)N(C)C(=O)NCCC#N 426435838 NFVPESWROQHMOL-SNVBAGLBSA-N 243.307 0.327 30 20 BCED CC#CCNC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 454726027 DCVIDPGIWNODMI-NNYUYHANSA-N 232.283 0.605 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NC(COC)COC 456219104 UEVNQKBZDZXTMO-MNOVXSKESA-N 243.303 0.355 30 20 BCED C#CCNC(=O)c1cnc2c(c1)NC(=O)CS2 490893011 QNACFMTYJAJXTD-UHFFFAOYSA-N 247.279 0.489 30 20 BCED C#C[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(C)C 490984412 FTHKOQRHAPEAIS-VHSXEESVSA-N 231.317 0.353 30 20 BCED C#CC(C)(C)N(C)CCN1CCOCC1 491072022 PDJIVBJRYGTZHP-UHFFFAOYSA-N 210.321 0.662 30 20 BCED C#CCN(C(=O)c1noc(COC)n1)C1CC1 491483690 DNEOMQSPQZWFDK-UHFFFAOYSA-N 235.243 0.454 30 20 BCED C#CCNC(=O)C1CCN([C@@H](C)COC)CC1 491629283 LVQBPAHBDYAGIX-NSHDSACASA-N 238.331 0.483 30 20 BCED C=C(C)CONC(=O)C(C)(C)NC(=O)OC 496704481 YONKGUAEYDHALO-UHFFFAOYSA-N 230.264 0.745 30 20 BCED C[C@H](CC#N)NC(=O)C1(C(N)=O)CCC1 530636833 XLHLAFADHXRFEA-SSDOTTSWSA-N 209.249 0.060 30 20 BCED CN(CC#N)C(=O)[C@@H]1CC12CCOCC2 530667789 JLRFVBMDSCQHJY-VIFPVBQESA-N 208.261 0.785 30 20 BCED COC[C@@](C)(O)C(=O)N(C)C[C@@H](C)C#N 531020179 IPDCYLRMYDSZIL-WCBMZHEXSA-N 214.265 0.002 30 20 BCED O=C(NCC#CCO)c1cnc(C2CC2)s1 571885780 IFMJSEMVEGIOTK-UHFFFAOYSA-N 236.296 0.746 30 20 BCED C=CCOCC(=O)NCCC[C@H]1CCCN1 575915644 GFWMYPVSFWAMRX-LLVKDONJSA-N 226.320 0.837 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)C(=O)O 576469317 PFCWCPBZAKFLGZ-IWSPIJDZSA-N 227.260 0.557 30 20 BCED CC1(C#N)CN(C[C@H]2CCNC(=O)CC2)C1 579021827 IBLUJKJFKUUKQR-SNVBAGLBSA-N 221.304 0.748 30 20 BCED CC(C)C(C)(C)NC(=O)Cn1cnc(C#N)n1 579426142 KLOKLYZQOFTVLN-UHFFFAOYSA-N 235.291 0.701 30 20 BCED CC(C)(O)C#Cc1ncccc1C(=O)O 585145113 YDIFODXIKFHQKA-UHFFFAOYSA-N 205.213 0.902 30 20 BCED COC[C@@H](O)CCNC(=O)CCCCCC#N 588662504 ARRPLFZNNOSCDX-NSHDSACASA-N 242.319 0.974 30 20 BCED CC(=O)NCCNc1nc(C#N)ccc1C 590568335 CUUGYPNPWKPUNB-UHFFFAOYSA-N 218.260 0.810 30 20 BCED C[C@@H](CCO)N(C)c1cc(C#N)ncn1 593516374 NIKHSHNYWNDZGZ-QMMMGPOBSA-N 206.249 0.555 30 20 BCED C/C=C/C[C@H](CO)Nc1cc(C#N)cnn1 596197692 UXRLGFBPFPRERU-VMZHVLLKSA-N 218.260 1.087 30 20 BCED N#Cc1nccc(N2C[C@H]3CC[C@@H](O)C[C@H]3C2)n1 596353897 WSOZQRKOLCIDDO-OUAUKWLOSA-N 244.298 0.945 30 20 BCED C=CCCSCCNC(=O)c1ncnn1C 596451328 UGSSQMPCBBMBCD-UHFFFAOYSA-N 240.332 0.854 30 20 BCED CO[C@@]1(C)C[C@H]1Nc1c(C#N)cnn1C 596539384 JQPDCEANFLMOOA-SCZZXKLOSA-N 206.249 0.881 30 20 BCED COC[C@@H](OC)C(=O)N[C@@H](C#N)CC(C)C 597075403 KGPZTOPXQQITMX-NXEZZACHSA-N 228.292 0.702 30 20 BCED N#C[C@@H]1CN(C(=O)c2ncccc2F)CCO1 597166434 DLLLRBDUQLXKLB-MRVPVSSYSA-N 235.218 0.585 30 20 BCED C=C[C@H](O)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)OC 597530173 UWBLWZUUZWDOJE-BBBLOLIVSA-N 241.287 0.333 30 20 BCED N#Cc1ncn(CC(=O)NCC2=CCCC2)n1 598375975 KACVTQFJXOSMKU-UHFFFAOYSA-N 231.259 0.376 30 20 BCED CC(C)(C#N)C[C@@H](O)CN1CC[C@@](F)(CO)C1 598614572 LPODDJNBYSSMJP-PWSUYJOCSA-N 244.310 0.693 30 20 BCED CC(C)(C#N)CC(=O)NC[C@H]1C[C@@H](O)C1 600511369 QADZNWZZBQFIEB-DTORHVGOSA-N 210.277 0.813 30 20 BCED N#CCCCS(=O)(=O)NCc1cc[nH]n1 601304728 VFXBCWHXHKKIGL-UHFFFAOYSA-N 228.277 0.133 30 20 BCED Cc1nc[nH]c1C(=O)N(CCC#N)CCC#N 602080078 UXAWSLZVEIQHBN-UHFFFAOYSA-N 231.259 0.988 30 20 BCED C[C@@H](NC1CCN(CC#N)CC1)[C@H]1CCOC1 610812649 GIGSGVVTXGAATQ-NEPJUHHUSA-N 237.347 0.989 30 20 BCED C=C[C@@H](O)C(=O)N1CC[C@](CO)(CCC)C1 614951969 DOXIWFARJCRSDI-ZYHUDNBSSA-N 227.304 0.544 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@](C)(O)C=C 615848441 IBVCINGBJCLRTD-YWVKMMECSA-N 211.261 0.383 30 20 BCED C=CCN(C(=O)[C@H](O)C=C)[C@@H](C)COC 617583091 AKVUURINVGGPOL-VHSXEESVSA-N 213.277 0.583 30 20 BCED C=C[C@](C)(O)C(=O)NCc1conc1C 633280458 QZTHHMSDURXHTD-JTQLQIEISA-N 210.233 0.536 30 20 BCED C=CCN1CCC(NC(=O)[C@H](C)NCC)CC1 638100932 ODMUZWCORHCCCZ-NSHDSACASA-N 239.363 0.751 30 20 BCED C=CCCO[C@@H]1[C@H]2C[C@H]3[C@@H]1NS(=O)(=O)[C@H]3C2 641721007 AJHMGRDRCSMUET-HPENLJRUSA-N 243.328 0.658 30 20 BCED C=C[C@@H](O)C(=O)N[C@H]1c2ccccc2C[C@H]1O 646916465 IZFQQKWTEQUGFX-UTUOFQBUSA-N 233.267 0.308 30 20 BCED C=C[C@@H](O)C(=O)NCc1ccncc1C 646961471 NSTRPFCGNAJQAE-SNVBAGLBSA-N 206.245 0.553 30 20 BCED C=CCn1cc(C(=O)NCc2cc(C)no2)nn1 648259406 KBGGFUIPXZSQBA-UHFFFAOYSA-N 247.258 0.691 30 20 BCED CC#CCNC(=O)[C@H]1CCc2ncncc2C1 648844477 HBRWXOIPYWITQV-JTQLQIEISA-N 229.283 0.721 30 20 BCED C=C(CC)CNC(=O)C1(C(=O)NC)CCC1 654375479 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COCCOCC(C)=NNc1cnccn1 741162787 IJXNVUDDDNXGAR-UHFFFAOYSA-N 224.264 0.927 30 20 BCED C#CCN1CCN(C(=O)C[C@@H](O)CCC)CC1 750316556 XWFZHLCQJMWASJ-LBPRGKRZSA-N 238.331 0.315 30 20 BCED C#CCCN1C(=O)N[C@](C)(C2CC2)C1=O 751735519 UDPVLJHJVRLVSJ-LLVKDONJSA-N 206.245 0.730 30 20 BCED COc1ccnc(NN=C2CN(C)C[C@@H]2C)n1 752160289 ISRCVZNHJSKWED-QMMMGPOBSA-N 235.291 0.835 30 20 BCED C[C@@H]1CN(C)CC1=NNC1=N[C@@H]2CCCC[C@H]2N1 753927123 AKXLWPUIOJSXFV-GMTAPVOTSA-N 249.362 0.784 30 20 BCED C#CCN1CCC[C@H]1C(=O)NCCOC(C)C 754582001 BMIYOXTXHAFPQK-LBPRGKRZSA-N 238.331 0.625 30 20 BCED C#CCNC(=S)Nc1ccc(=O)n(CC)c1 758209899 MCRDKQHCRNURAZ-UHFFFAOYSA-N 235.312 0.788 30 20 BCED C#CCNC(=S)N1CCC[C@@H]1COC 758240329 QCIUTKCYERLNRG-SECBINFHSA-N 212.318 0.605 30 20 BCED C=CCOCC(=O)O[C@@H](CC)C(=O)OC 762819328 IETQXMGKDFNHJM-QMMMGPOBSA-N 216.233 0.684 30 20 BCED Cn1nncc1C=NNc1ccc(C(=O)O)cn1 763367225 ASTQWTVQMNPIHK-UHFFFAOYSA-N 246.230 0.354 30 20 BCED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCO 763474651 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QHAITRANENILTP-GHMZBOCLSA-N 234.303 0.640 30 20 BCED C#C[C@@H](C)N(C)c1nnc([C@](C)(O)CC)n1C 1262889082 ITPWEIPLAWPXKO-BXKDBHETSA-N 236.319 0.891 30 20 BCED C=CCn1c(C(N)=O)nnc1N1CC[C@H](C)[C@@H]1C 1262948058 APHAGDIXWYBHCW-IUCAKERBSA-N 249.318 0.798 30 20 BCED C#CCN1CCC(OC(=O)c2cocn2)CC1 1263621357 ZVGAINRPWAPYNZ-UHFFFAOYSA-N 234.255 0.929 30 20 BCED Cc1nnc(C)n1N=Cc1ccc(C(N)=O)cc1 1317865853 AQYDCHKMAOKERD-UHFFFAOYSA-N 243.270 0.876 30 20 BCED C[C@]1(CCC(=O)NC2(C#N)CC2)CCC(=O)N1 1319730095 TZZXCXXGQQYNIX-LLVKDONJSA-N 235.287 0.608 30 20 BCED N#CC1(COC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1319822868 WBMQVAOUAVKCDK-MRVPVSSYSA-N 243.284 0.268 30 20 BCED C[C@H]1CC(=NC(=O)c2ccc[n+]([O-])c2)NO1 1320393296 CYZNWHQNKJVBKK-ZETCQYMHSA-N 221.216 0.172 30 20 BCED CCC(=O)N[C@H](CCSC)C(=O)NO 1320524755 OUWJVLODMWCKHN-ZCFIWIBFSA-N 220.294 0.140 30 20 BCED C=C[C@@H](COC)NC(=O)Cc1cnn(C)c1 1320599177 ZAZCHRVTAHTTRK-JTQLQIEISA-N 223.276 0.280 30 20 BCED N#Cc1cc(C(=O)N2CC(n3cncn3)C2)c[nH]1 1323548813 BSNMQHPYNJBHSB-UHFFFAOYSA-N 242.242 0.175 30 20 BCED COC[C@H](CNC(=O)CSCC#N)OC 1325091306 LIUNUBBEXQZAKB-QMMMGPOBSA-N 232.305 0.021 30 20 BCED N#CCC(=O)N1CCC(O[C@H]2CCOC2)CC1 1325439394 YSBJPCANIPADOU-NSHDSACASA-N 238.287 0.697 30 20 BCED C[C@H](CCN1CCN(C)CC1)NC(=O)CC#N 1325764782 WOTSPMABDYFBGR-LLVKDONJSA-N 238.335 0.042 30 20 BCED C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326260106 KFGGTZZAGMORHH-OUAUKWLOSA-N 249.314 0.806 30 20 BCED C[C@H](O)CNN=Cc1ccc2oc(=O)oc2c1 1331970536 WETYVYQDULNFKU-ZETCQYMHSA-N 236.227 0.690 30 20 BCED C#CCCCn1nnnc1N(C)C1CC1 1332050758 YGHKIXBIZBITJU-UHFFFAOYSA-N 205.265 0.685 30 20 BCED CN(C)CC#CCNC(=O)c1cnc(C2CC2)[nH]1 1332708803 XSVBXNANVOAPAE-UHFFFAOYSA-N 246.314 0.582 30 20 BCED C=C1CN(C(=O)Nc2cccn(C)c2=O)C1 1332926543 OBQFETMQQLHLBS-UHFFFAOYSA-N 219.244 0.789 30 20 BCED N#CCN(c1nnnn1Cc1ccon1)C1CC1 1335416793 VYIDTOYMCIQQMB-UHFFFAOYSA-N 245.246 0.202 30 20 BCED CC1=NO[C@](C)(C(=O)N2CCO[C@H](C#N)C2)C1 1336341610 OKAOQWZIMFYNJO-KOLCDFICSA-N 237.259 0.292 30 20 BCED N#CCCCS(=O)(=O)NC1CCC(=O)CC1 1336931146 RSZGMIZSBAFFAH-UHFFFAOYSA-N 244.316 0.721 30 20 BCED C=C(C)CCC(=O)N(C)CCC(=O)NC 1337115959 YZKIINWNWWGFPC-UHFFFAOYSA-N 212.293 0.937 30 20 BCED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CNCCO1 1343342498 ABXYFTRYNFXSKV-VXGBXAGGSA-N 238.331 0.932 30 20 BCED CC(=O)N(C)CC(=O)OCc1ccc(C#N)cn1 1343411527 JGNKQRSYDVLWFM-UHFFFAOYSA-N 247.254 0.475 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)OC[C@]1(O)CCOC1 1346246870 MTTKBUAZHYWCFC-SCVCMEIPSA-N 242.271 0.272 30 20 BCED C=C[C@@H](COC)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 1349675113 SRZQXKMCXAGIQN-ZDCRXTMVSA-N 240.303 0.807 30 20 BCED C#CC1CCN(C(=O)C(=O)N[C@@H]2C=CCC2)CC1 1350883894 BQQSVGITTIUINU-GFCCVEGCSA-N 246.310 0.693 30 20 BCED C=C[C@H](CC)CC(=O)N[C@@H]1CNC[C@H]1C#N 1353613139 LCMVEZUPJZEYNN-GMTAPVOTSA-N 221.304 0.816 30 20 BCED C=CCn1nnnc1N(C)Cc1ccccn1 1354294451 TXTAGFXVAMBYMX-UHFFFAOYSA-N 230.275 0.891 30 20 BCED N#C[C@@H]1COCCN1Cc1ccnc(N)c1 1459676353 IVNQOLHFGRNGEF-SNVBAGLBSA-N 218.260 0.388 30 20 BCED N#Cc1ccc(=O)n(CC(=O)c2ccc[nH]2)c1 1473042632 PLKHNRISATZQMU-UHFFFAOYSA-N 227.223 0.931 30 20 BCED C#C[C@@H](CO)NC(=O)CCc1cccc(O)c1 1521645776 CWSIPAFUKILDGH-NSHDSACASA-N 233.267 0.435 30 20 BCED CC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1 1528014493 SEOJIIVYRRVVER-UHFFFAOYSA-N 234.259 0.094 30 20 BCED N#Cc1cccc(NC[C@@H](O)Cn2ccnn2)n1 1559207908 LUHDAOLVXNOPNL-SNVBAGLBSA-N 244.258 0.018 30 20 BCED C=C(C)C[C@H](N)C(=O)NCCN1CCCC1 1574067590 VZINLEHVBZRBCN-NSHDSACASA-N 225.336 0.492 30 20 BCED N#CC[C@H](C(=O)NCC(=O)O)c1ccccc1 1574481194 WNOXEBBVHJYADZ-JTQLQIEISA-N 232.239 0.885 30 20 BCED C=CC[C@@H](C(=O)OC)N(CC)CCN 1574890199 WQOCKRXMDCBEEM-VIFPVBQESA-N 200.282 0.385 30 20 BCED C[C@]1(C(=O)Nc2cc(C#N)ccn2)CNCCO1 1576359545 MMUSLNAFRFWUBO-GFCCVEGCSA-N 246.270 0.270 30 20 BCED CC[C@@H](N)C(=O)NCc1cncc(C#N)c1 1578223110 QORSOUBNSFZXPB-SNVBAGLBSA-N 218.260 0.307 30 20 BCED N#C[C@@]1(F)CCN(C(=O)[C@@H]2NC[C@@H]3C[C@@H]32)C1 1580040962 SCDMWTPUNBHSHD-CKEKPRIKSA-N 223.251 0.058 30 20 BCED N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2N)c[nH]1 1580060707 CRFVRNNRRINQCT-GHMZBOCLSA-N 232.287 0.886 30 20 BCED C#C[C@@H](C)Nc1cccc(-c2nn[nH]n2)n1 1588326452 MEWJKBVQBMZHNG-SSDOTTSWSA-N 214.232 0.695 30 20 BCED C#CCN(CC(=O)O)C(=O)CCC(F)F 1588402149 MLBUMXHDJGIYDR-UHFFFAOYSA-N 219.187 0.578 30 20 BCED C#CCCOC(=O)c1c[nH]c(C(=O)O)c1 1588455115 DDYFNWQREUZTMN-UHFFFAOYSA-N 207.185 0.893 30 20 BCED C=C[C@H](OC(=O)[C@@H](C)CC(=O)O)C(=O)OC 1588706373 YNGCPYIKGKYBHO-BQBZGAKWSA-N 230.216 0.368 30 20 BCED C=CC[C@@H](OC(=O)[C@H](C)CC(=O)O)C(=O)OC 1588750974 ITEGIQLXJXLNTJ-HTQZYQBOSA-N 244.243 0.758 30 20 BCED N#CCCCC(=O)NCC1(C(=O)O)CC1 1601066656 OSBSASNONVNWOM-UHFFFAOYSA-N 210.233 0.661 30 20 BCED C#CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 1602671714 FKHDSRJJBGHCPU-XHNCKOQMSA-N 223.272 0.871 30 20 BCED C#CC[C@H](NC(=O)c1coc(C=O)c1)C(=O)O 1602693580 YNECPZWYYXBFHO-VIFPVBQESA-N 235.195 0.298 30 20 BCED CC(=NNCCC(=O)O)c1ccnc(O)c1 1602736900 FCUSVAKQLULRKO-UHFFFAOYSA-N 223.232 0.576 30 20 BCED CC#CCCn1c(C)nc(-c2nn[nH]n2)c1C#N 1602893721 GLNVAYDATLXVGW-UHFFFAOYSA-N 241.258 0.657 30 20 BCED CC(C)(C)[C@@H](CC(=O)O)NC(=O)CC#N 1603305140 UWWSNXRVQOXTGP-SSDOTTSWSA-N 212.249 0.906 30 20 BCED N#CC1CN(C(=O)c2ccc(C(=O)O)cc2)C1 1608178880 CUXOZSMQAWRIFN-UHFFFAOYSA-N 230.223 0.980 30 20 BCED N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)O)o1 1608204846 QJQSTJTZRDOLRH-OIBJUYFYSA-N 236.227 0.171 30 20 BCED C#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)O)o1 1609057993 MBWMTYMSCGJIJH-MRVPVSSYSA-N 249.222 0.452 30 20 BCED CCOCCn1c(C)nc(-c2nn[nH]n2)c1C#N 1609241126 ABGMEOQUVDKOQB-UHFFFAOYSA-N 247.262 0.280 30 20 BCED Cn1cc(C=NNCC(F)F)cc1C(=O)O 1610601989 XZVKLIFZSUMTOY-UHFFFAOYSA-N 231.202 0.912 30 20 BCED Cc1ccnn1CC(=O)Nc1n[nH]cc1C#N 1627170713 MNSFJDFTUOAUBZ-UHFFFAOYSA-N 230.231 0.425 30 20 BCED Cc1nnc(CCC(=O)Nc2n[nH]cc2C#N)o1 1638660139 UYPYFCMGYAWELX-UHFFFAOYSA-N 246.230 0.544 30 20 BCED N#CC[C@]1(O)CCN(C(=O)c2cocn2)C1 1639943399 PRYDJDRIQATQLD-JTQLQIEISA-N 221.216 0.165 30 20 BCED C#CCCN1CC[C@H](NC(=O)[C@H](C)OCC)C1 1665441588 JPNXTCJKVVIARM-RYUDHWBXSA-N 238.331 0.625 30 20 BCED COC[C@@H](C)CC(=O)N[C@H]1C[C@H](NCC#N)C1 1752673746 HHRYBMQMLHGPGG-DCAQKATOSA-N 239.319 0.419 30 20 BCED C=CCNCCN(C)C(=O)[C@H]1CCCO1 1753168573 XHNYVRIUSLLAPH-SNVBAGLBSA-N 212.293 0.399 30 20 BCED CC#CCNC[C@@H](C)CNC(=O)c1cc(C)on1 1753612093 FXMCVLQIGLLVHG-SNVBAGLBSA-N 249.314 0.962 30 20 BCED CC#CCNC[C@@H](C)NC(=O)[C@H](C)SC 1754218769 NGOWBHSSOCLCIC-ZJUUUORDSA-N 228.361 0.856 30 20 BCED C#CCNC[C@H](C)NC(=O)c1ccn(C)c1C 1754282252 ROIICDTYOVKXSX-JTQLQIEISA-N 233.315 0.675 30 20 BCED C#CCN(C)C[C@@H](C)NC(=O)c1conc1C 1754322225 AFXXXJSQHQUOCU-SECBINFHSA-N 235.287 0.666 30 20 BCED N#CCN1CC[C@H]1CNC(=O)Cc1ccoc1 1754480776 LTICSHJUNXNILA-NSHDSACASA-N 233.271 0.536 30 20 BCED C[C@]1(NC(=O)Cc2ncc[nH]2)CCN(CC#N)C1 1754681094 AAHLBJPEKXZRST-LBPRGKRZSA-N 247.302 0.056 30 20 BCED C#CCNCC1(NC(=O)CCC)CCOCC1 1755091909 AZLFCHWBBFOWFU-UHFFFAOYSA-N 238.331 0.675 30 20 BCED C#CCN(C)[C@@H](C)CNC(=O)c1cncnc1C 1755291361 AXWSOGHDAXEFOR-JTQLQIEISA-N 246.314 0.468 30 20 BCED C#CCCNCCC[C@H](C)NC(=O)[C@H](C)OC 1755494839 AWSQBOCEAOUCMI-RYUDHWBXSA-N 240.347 0.919 30 20 BCED Cc1cc(C)n(CC(=O)N(C)CCC#N)c(=O)n1 34674732 HXVCUYVDHBPBIS-UHFFFAOYSA-N 248.286 0.232 30 20 BCED CC[C@@H](CO)NC(=O)COc1ccc(C#N)cc1 35102704 LYKIITRWYFAACB-NSHDSACASA-N 248.282 0.824 30 20 BCED CC[C@H](C#N)C(=O)N[C@H]1CN2CCC1CC2 44811141 NWAOZBOBJHZPPZ-KOLCDFICSA-N 221.304 0.747 30 20 BCED C[C@H](C#N)C(=O)N(CC(N)=O)C1CCCC1 44826429 IPDCCCSRXZDCCD-MRVPVSSYSA-N 223.276 0.403 30 20 BCED C[C@@H](O)CN(C)C(=O)C#Cc1ccccc1 51818112 CPJNKDDZKUHMQX-LLVKDONJSA-N 217.268 0.877 30 20 BCED CC(C)(C#N)C(=O)N[C@@H]1CCCC[C@H]1O 52010046 HDHIRBXIRARZTC-RKDXNWHRSA-N 210.277 0.956 30 20 BCED C#CCNC(=O)NCc1c(C)noc1C 67759555 JUTMNSZSPBMCCU-UHFFFAOYSA-N 207.233 0.724 30 20 BCED CN(CCC#N)C(=O)[C@H]1CCC[C@@H](N)C1 70502697 VOVJRGHHQDHGOM-VHSXEESVSA-N 209.293 0.876 30 20 BCED N#Cc1cccc(N2CCO[C@@H](C(=O)O)C2)n1 81594486 ZWBNPWIZBTVKEN-SECBINFHSA-N 233.227 0.243 30 20 BCED CC[C@@](C)(C#N)NC(=O)c1csnn1 82303854 ADOVRCVUKONONZ-QMMMGPOBSA-N 210.262 0.960 30 20 BCED COC(=O)CCNC(=O)c1cc(C#N)cs1 84166826 YOGAYONFQFHBKP-UHFFFAOYSA-N 238.268 0.913 30 20 BCED C[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H]1CCCO1 88476077 OOLYQZFSDQDUJX-VGMNWLOBSA-N 232.305 0.385 30 20 BCED C[C@H]1COCCN1S(=O)(=O)CCCCC#N 104111404 QMBJHXGGCCNXGD-JTQLQIEISA-N 246.332 0.731 30 20 BCED Cc1nn(C)cc1C(=O)N(CCC#N)CCC#N 113154325 ZGGWFJQXMNLWJM-UHFFFAOYSA-N 245.286 0.998 30 20 BCED COC(=O)c1coc(CO/N=C(\N)CCO)c1 121426440 JNHASASGURSYJW-UHFFFAOYSA-N 242.231 0.237 30 20 BCED C=CCN(C)CC(=O)Nc1cc(C)nn1C 121568050 WHBCCDNSDFGNRF-UHFFFAOYSA-N 222.292 0.785 30 20 BCED CNC(=O)[C@H](C#N)C(=O)/C=C/c1ccco1 133187352 HFFZJSYADSUSKS-XNPJLODASA-N 218.212 0.748 30 20 BCED N#Cc1cccc(C(=O)NC[C@@H]2CNCCO2)c1 134253178 CZWQTDKPKJJILN-LBPRGKRZSA-N 245.282 0.276 30 20 BCED C[C@@H](O)C[C@@H]1COCCN1CCCC#N 157225028 WJJPWVSNRAWOHQ-GHMZBOCLSA-N 212.293 0.762 30 20 BCED 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C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1NCC2 1575045853 QXJHWKZVUSFDGV-CKYFFXLPSA-N 221.304 0.794 30 20 BCED C[C@H](NC(=O)Nc1ccc(C#N)cn1)[C@@H](C)N 1576104266 CQWDTBPTELUDSN-SFYZADRCSA-N 233.275 0.810 30 20 BCED COC[C@@](C)(C#N)NC(=O)c1cnc(N)s1 1578951213 YCYKHYWUFSZPAO-SECBINFHSA-N 240.288 0.384 30 20 BCED C[C@H]1NCC[C@@H]1NC(=O)N1CCC[C@@H](C#N)C1 1579500930 SZXKFCWJGIPYLP-VWYCJHECSA-N 236.319 0.682 30 20 BCED N#Cc1c(Cl)nsc1N[C@@H]1CNC[C@H]1O 1580057478 WSRLWHHVLQKBAE-PHDIDXHHSA-N 244.707 0.413 30 20 BCED N#Cc1ccc(NCc2cc(N)ccn2)nn1 1580069717 FVAOAMFJYFDYDU-UHFFFAOYSA-N 226.243 0.938 30 20 BCED N#Cc1csc(CN2C[C@H]3CCNC[C@H]32)n1 1580081519 LTQANNRISVYJTD-PSASIEDQSA-N 234.328 0.808 30 20 BCED C=C(C)CS(=O)(=O)N(C1CC1)[C@@H](C)C(=O)O 1588442450 IRLREKQVPXYGGZ-QMMMGPOBSA-N 247.316 0.830 30 20 BCED C=C(CCC(=O)O)C(=O)N1CCOCC12CC2 1588619367 RIRJXFOVKDACJR-UHFFFAOYSA-N 239.271 0.799 30 20 BCED C=CCN(C)Cc1ccc(-c2nn[nH]n2)cn1 1588626618 NCOVDIHVIGEATA-UHFFFAOYSA-N 230.275 0.880 30 20 BCED C=CCNC(=O)c1ccc(-c2nn[nH]n2)cc1F 1588659103 ZXUMJYSJGPEBPA-UHFFFAOYSA-N 247.233 0.922 30 20 BCED C=CCN1CC[C@H](N(C)[C@H](C)C(=O)O)C1=O 1588838452 FRTSLQZMBPHDDW-BDAKNGLRSA-N 226.276 0.178 30 20 BCED C[C@H](CC(=O)O)C(=O)NCC1(CC#N)CC1 1592351260 GPRWHYNIDXGYEU-MRVPVSSYSA-N 224.260 0.907 30 20 BCED N#C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)O)C1)C1CC1 1594601641 NZEGQICJBJOISU-IVZWLZJFSA-N 236.271 0.906 30 20 BCED CC[C@H](O)CNN=Cc1cc(C(=O)O)c(C)o1 1595331352 CFIMFAJZVSIUCU-QMMMGPOBSA-N 240.259 0.981 30 20 BCED C#C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](CC(=O)O)C1 1602670158 OEQUJQOFCHUXIJ-BBBLOLIVSA-N 238.287 0.951 30 20 BCED C#CC[C@@H](NCc1cc(C)n(C)n1)C(=O)O 1602694902 USIHKSICHZYZJJ-SNVBAGLBSA-N 221.260 0.295 30 20 BCED C[C@H](CC#N)C(=O)Nc1cc(C(=O)O)n(C)n1 1604059583 HAESTGMGISAJCL-ZCFIWIBFSA-N 236.231 0.607 30 20 BCED O=C(O)c1csc(C=NNC2=NCCN2)c1 1608991135 GXXUMJLLWLEIFL-UHFFFAOYSA-N 238.272 0.329 30 20 BCED CC[C@@H](C(=O)O)C(=O)OCCO[C@@H](C)C#N 1609890342 ALLYCEXGSMCRHF-YUMQZZPRSA-N 229.232 0.569 30 20 BCED Cc1nnnn1-c1nc(C#N)c(Cl)s1 1612231608 XOJIDSVKVPOCLF-UHFFFAOYSA-N 226.652 0.952 30 20 BCED CN(CCC#N)c1nc(N)nc(Cl)c1N 1641978611 CNLQOUSBUSZOEK-UHFFFAOYSA-N 226.671 0.644 30 20 BCED N#CCn1cc(Nc2cc(C#N)cnn2)cn1 1650685623 IDQTXDSAGAKGHU-UHFFFAOYSA-N 225.215 0.812 30 20 BCED C#CCN1CC[C@H](NC(=O)[C@@H](CC)OC)C1 1752381700 GUIOYOMOTJVKGI-WDEREUQCSA-N 224.304 0.235 30 20 BCED CC#CCNC/C=C/CNC(=O)C(F)F 1754088233 TXPCMNZSBNKMHM-SNAWJCMRSA-N 216.231 0.537 30 20 BCED Cc1nc(C(=O)N[C@@H](C)CNCC#N)co1 1754265760 UQPXTUZBWSCJJF-ZETCQYMHSA-N 222.248 0.215 30 20 BCED C#CCNN=Cc1ccccc1C(=O)O 1776065018 QXZIHXJOHNUNNQ-UHFFFAOYSA-N 202.213 0.942 30 20 BCED CCCn1nc(C)cc1C=NNCC(=O)O 1776078991 BGCCYTDVBHITMQ-UHFFFAOYSA-N 224.264 0.610 30 20 BCED C=Cn1cc(CN[C@@H](CC#CC)C(=O)O)cn1 1776193803 PLDDIESZBKEZDV-NSHDSACASA-N 233.271 0.940 30 20 BCED N=C(N)NN=Cc1ccc(O)c([N+](=O)[O-])c1 3765023 JFSQYUXPKZFKEQ-UHFFFAOYSA-N 223.192 0.117 30 20 BCED C#CCNC(=O)COc1ccccc1NC(C)=O 7895595 ZANWBWBDHOBUFY-UHFFFAOYSA-N 246.266 0.773 30 20 BCED Cn1nnnc1Sc1ncccc1C#N 15208880 YEDNFKBDIFHUGR-UHFFFAOYSA-N 218.245 0.628 30 20 BCED CC(C)(C)C(=O)N1CCN(CC#N)CC1 20180770 OYXHFPXXNHVFBE-UHFFFAOYSA-N 209.293 0.700 30 20 BCED N#CCNC(=O)c1ccc2[nH]cnc2c1 40855150 QVVDDUTVWSQDON-UHFFFAOYSA-N 200.201 0.816 30 20 BCED C[C@@H](C#N)CN(C)C(=O)C[C@H]1CCCNC1 54308196 CAZPMUAGYDCWQK-WDEREUQCSA-N 223.320 0.994 30 20 BCED C#CCNC(=O)[C@@H]1CC(=O)N([C@H](C)CCC)C1 54816183 HVKPMBYZCIHRJW-GHMZBOCLSA-N 236.315 0.773 30 20 BCED N#CC1CCN(CC(=O)NCC2CC2)CC1 57877993 BELNGOKWLZHVNP-UHFFFAOYSA-N 221.304 0.748 30 20 BCED C[C@@H](CC#N)N(C)C(=O)c1ccnn1C 63094601 LNJLUMALODCQCT-QMMMGPOBSA-N 206.249 0.794 30 20 BCED C=C(Cl)CNC(=O)NCC[S@@](C)=O 77791633 WKUFDWGCDONSMV-ZDUSSCGKSA-N 224.713 0.417 30 20 BCED C=CCNC(=O)N1CCO[C@H](COC)C1 80565769 XRIFRUSETUSPFW-VIFPVBQESA-N 214.265 0.229 30 20 BCED N#C[C@@H]1COCCN1CC(=O)Nc1ccccc1 81163421 GPZCBPGGWHMKEA-GFCCVEGCSA-N 245.282 0.849 30 20 BCED Cc1ccc(C#N)c(NC[C@@H](O)CO)n1 85245622 WDABDQHFGCMJAJ-SECBINFHSA-N 207.233 0.027 30 20 BCED N#Cc1cn[nH]c1NC(=O)[C@@H]1CCOC1 93334886 PMCFPIJCPFKRHY-ZCFIWIBFSA-N 206.205 0.256 30 20 BCED Cn1cc([C@@H](O)CNc2cnccc2C#N)cn1 94167704 NAQYGOVDPCEYCT-LBPRGKRZSA-N 243.270 0.832 30 20 BCED C[C@@H]1CN(S(=O)(=O)CCCC#N)[C@H](C)CO1 104110873 SKNHUOOUINZZML-NXEZZACHSA-N 246.332 0.729 30 20 BCED N#Cc1cnn(C(=O)c2cocn2)c1N 104866494 PGJWFJWJMFRESA-UHFFFAOYSA-N 203.161 0.013 30 20 BCED CC#CCNC(=O)CCCCCNC(N)=O 121563653 LQVWLNKWRHVRGR-UHFFFAOYSA-N 225.292 0.355 30 20 BCED C#CCN1CCN(C(=O)c2ccncc2)CC1 128283642 CIRCWJBXBKQTSI-UHFFFAOYSA-N 229.283 0.473 30 20 BCED CNC(=O)CN(C)c1cccnc1C#N 129872251 RUUJUJUHMMRFNR-UHFFFAOYSA-N 204.233 0.135 30 20 BCED CSc1cncc(N2CCO[C@@H](C#N)C2)n1 132159636 RQVAJTKDWFWEFJ-QMMMGPOBSA-N 236.300 0.927 30 20 BCED CCO[C@@H](C)C(=O)N[C@](C)(C#N)COC 137209151 MFQRGONZQXYPKU-WCBMZHEXSA-N 214.265 0.456 30 20 BCED C=C[C@H](C)NS(=O)(=O)N(CC)CC 152724503 FWTYAVLSHRSARL-QMMMGPOBSA-N 206.311 0.737 30 20 BCED CC#CCCNC(=O)c1ccc(C)[nH]c1=O 163328883 LUHZQJBSMPFBMD-UHFFFAOYSA-N 218.256 0.827 30 20 BCED COCCN(CCO)C(=O)C#Cc1ccccc1 164187565 GQIVZLBAOAHOMO-UHFFFAOYSA-N 247.294 0.505 30 20 BCED CC(C)(C#N)C(=O)N1CCCN(C(N)=O)CC1 171495898 CAZFILXIKXRRSN-UHFFFAOYSA-N 238.291 0.149 30 20 BCED CCNS(=O)(=O)NCc1cccc(C#N)c1 172450539 SRIPRTFCIAHYDV-UHFFFAOYSA-N 239.300 0.502 30 20 BCED N#C[C@H]1COCCN1C(=O)[C@@H]1CCCCO1 178665546 MJQBBAXAPZINTL-UWVGGRQHSA-N 224.260 0.306 30 20 BCED C#C[C@@H](C)NC(=O)NC[C@](C)(O)c1ccco1 186112435 NCLJWSHSJCMUSS-SKDRFNHKSA-N 236.271 0.808 30 20 BCED C=CCCCC(=O)N[C@@H]1C(=O)NCC[C@H]1C 194237159 VIZFBKSZHGTKKX-KOLCDFICSA-N 224.304 0.984 30 20 BCED COCCO/N=C(\N)Cc1nc(C)cs1 194341130 BJNMWHNVJZPWHY-UHFFFAOYSA-N 229.305 0.929 30 20 BCED CN/C(N)=N/CC[C@@H]1C(=O)Nc2ccccc21 195523268 RFRLLOIQXVMCBJ-VIFPVBQESA-N 232.287 0.647 30 20 BCED C=CCNC(=O)[C@H](C)N1CCC[C@@H](N)C1 217526165 PQGFPCQCZKRFBD-VHSXEESVSA-N 211.309 0.100 30 20 BCED CC[C@@H](CO)NC(=O)C1(C#N)CCCC1 217851956 GAHICLJBXHIEAE-VIFPVBQESA-N 210.277 0.957 30 20 BCED C#C[C@H](CC)NCc1cc(C(=O)O)no1 230007021 JGVROULSYILNBP-SSDOTTSWSA-N 208.217 0.874 30 20 BCED CCCNCCNc1nccc(C#N)n1 231942381 XCTVNUDSCCNLFH-UHFFFAOYSA-N 205.265 0.760 30 20 BCED C=CCOCCCC(=O)N1CCCNCC1 236671684 AHJTWCHPVJOPRU-UHFFFAOYSA-N 226.320 0.791 30 20 BCED CCN(C[C@H](C)C#N)S(=O)(=O)[C@H](C)COC 246757597 SWCAAKMITSVXHI-NXEZZACHSA-N 248.348 0.833 30 20 BCED CC[C@H](C#N)NC(=O)[C@@H]1CC[C@@H](C(=O)OC)O1 248718233 RZRDTLAMBSSBFA-VGMNWLOBSA-N 240.259 0.125 30 20 BCED C=CCCS(=O)(=O)N1CCN[C@H](C)[C@H]1C 261548881 OAGSJIIZFZFDSA-NXEZZACHSA-N 232.349 0.575 30 20 BCED C#CCN(CC#CC)C(=O)NCCC(=O)O 263345295 GLFYJZJDFXFTQS-UHFFFAOYSA-N 222.244 0.129 30 20 BCED C=CC[C@@H](CO)CNC(=O)NCCCC(=O)O 263492512 RRARYCIOUCYYRO-SECBINFHSA-N 244.291 0.335 30 20 BCED NC(=O)c1cccc(CC/N=C(\N)NC2CC2)c1 264297634 RCEVPWVFUCOVCH-UHFFFAOYSA-N 246.314 0.395 30 20 BCED N#Cc1ccc([C@@H]2NC(=O)[C@H]3CSCCN32)o1 270839196 VGUPFTOMKUTXRS-PSASIEDQSA-N 249.295 0.697 30 20 BCED Cn1nccc1S(=O)(=O)N(CC#N)C1CC1 271521905 QJTZCOXITCQAQQ-UHFFFAOYSA-N 240.288 0.097 30 20 BCED C[C@@H](CCCO)NC(=O)c1c[nH]c(C#N)c1 271993689 MMDYSUWDHKFCNA-QMMMGPOBSA-N 221.260 0.777 30 20 BCED C=CCS(=O)(=O)CCNC(=O)C1CCC1 272845236 KFGDVNRQWAIJOR-UHFFFAOYSA-N 231.317 0.504 30 20 BCED C#CCNC(=O)CCN[C@H](C)[C@@H]1CCCO1 273146396 GLNHGLFQBRJDPW-MNOVXSKESA-N 224.304 0.283 30 20 BCED CC#CC(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 277794487 VENNTOXEZLKNID-VIFPVBQESA-N 243.328 0.434 30 20 BCED C=CC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 279720846 BIPOGEDGGMAJQD-XHNCKOQMSA-N 226.276 0.100 30 20 BCED Cn1nnc(CN2CCc3ccc(C#N)cc32)n1 281539134 BCBWYYMVCWAHTR-UHFFFAOYSA-N 240.270 0.644 30 20 BCED C=CCN1CC[C@@H](N(CC)CCCO)C1=O 282126109 YFVPGBDJAMSAQY-LLVKDONJSA-N 226.320 0.478 30 20 BCED CC#CC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 283248854 QCSUJHSTVYMBBF-FZNYLWTLSA-N 213.302 0.378 30 20 BCED CCN(CC#N)S(=O)(=O)c1c(C)cnn1C 285021543 HQHMOZWWICMNCT-UHFFFAOYSA-N 242.304 0.263 30 20 BCED C=CCCCCCCNC(=O)NC(CO)CO 287928337 DORPLMFUGKTVLI-UHFFFAOYSA-N 244.335 0.775 30 20 BCED N#Cc1sc(N2CC(O)C2)nc1Cl 288072293 VJGFFAAUIMUNOF-UHFFFAOYSA-N 215.665 0.849 30 20 BCED C=C[C@H](CO)NS(=O)(=O)c1cccs1 290172370 KMQXWYDJYYXPKE-SSDOTTSWSA-N 233.314 0.573 30 20 BCED C=C[C@H](CO)NC(=O)NCC1CCSCC1 291042295 POPLWCDOLXDZBI-SNVBAGLBSA-N 244.360 0.976 30 20 BCED C#CCONC(=O)CCc1cnn(C)c1C 291084604 OEUMUJAJECUQHQ-UHFFFAOYSA-N 221.260 0.342 30 20 BCED C#CCN(C)CCCNc1nccnc1C#N 292672792 DEIVUFVNXBICGV-UHFFFAOYSA-N 229.287 0.715 30 20 BCED C#CCCCN1CCC[C@H](n2cc(CO)nn2)C1 292839473 BAHSFBVSGWKKHQ-ZDUSSCGKSA-N 248.330 0.821 30 20 BCED CC#CCN(C)C(=O)c1nccn2ccnc12 294723872 YWTXQCUQZQLRPP-UHFFFAOYSA-N 228.255 0.825 30 20 BCED C=CCNC(=O)NC(=O)[C@@H](C)SCCCO 298320943 RGUDBVHWXOPFIU-MRVPVSSYSA-N 246.332 0.502 30 20 BCED N#CCN(CC#N)C(=O)C[C@@H]1CCCO1 299517095 KHXMYBTYCKWOCV-VIFPVBQESA-N 207.233 0.431 30 20 BCED C[C@@H](CCO)CNc1ccc(C#N)nn1 301963793 JIJSKGPPQHZPDB-QMMMGPOBSA-N 206.249 0.779 30 20 BCED CC(C)CCOCC/N=C(\N)N1CCOCC1 303865581 BQKOFYBGAFNBLO-UHFFFAOYSA-N 243.351 0.696 30 20 BCED C#CCN(CC#N)C(=O)c1cncc(F)c1 304140687 HKLHOGYZLDFUEZ-UHFFFAOYSA-N 217.203 0.820 30 20 BCED CNc1nc(C(=O)NCCC#N)cs1 306333020 DNDCXIUWVLPROM-UHFFFAOYSA-N 210.262 0.828 30 20 BCED N#CCCNC(=O)c1[nH]ncc1Br 306701554 ZGQXGVVIWIAMEQ-UHFFFAOYSA-N 243.064 0.816 30 20 BCED COC(=O)NCCNc1ccnc(C#N)c1 308338174 PHDQAFGSGQDPFG-UHFFFAOYSA-N 220.232 0.721 30 20 BCED Cc1nc(C#N)cc(N2C[C@@H](C)O[C@@H](CO)C2)n1 308396957 FJLTZNXLZLCNRW-LDYMZIIASA-N 248.286 0.243 30 20 BCED C[C@@H](CC#N)NCC(=O)NC1CCCC1 308927959 DOIYZEDCRQHVFH-VIFPVBQESA-N 209.293 0.937 30 20 BCED C=C[C@@H](C)NC(=O)[C@]1(COC)CCNC1 309069212 BDEVIWZBZQHYKR-MWLCHTKSSA-N 212.293 0.303 30 20 BCED CN(CCNc1cc(C#N)ncn1)C1CC1 309355042 YFGGTESCMFLPMQ-UHFFFAOYSA-N 217.276 0.854 30 20 BCED C[C@H](C#N)CNc1ncnc2nccnc12 309606101 YQYLSEYBZNWELG-SSDOTTSWSA-N 214.232 0.991 30 20 BCED N#Cc1ccccc1Cn1cnc(C(=O)O)n1 310109091 QJLMAZUXQDTARV-UHFFFAOYSA-N 228.211 0.896 30 20 BCED C#CCN(CC#N)C(=O)[C@H]1CCC[C@H](C(=O)O)C1 310615736 FAIJYTKXLGKKGO-QWRGUYRKSA-N 248.282 0.863 30 20 BCED C=CCC[C@H](NC(=O)Cc1cc[nH]n1)C(=O)O 316327394 LYZZJHXLWFHFJY-VIFPVBQESA-N 237.259 0.488 30 20 BCED Cn1c(C(=O)N[C@H]2CCC[C@@H]2C#N)cccc1=O 328860470 LKBNIUUHPNVFQF-ZJUUUORDSA-N 245.282 0.807 30 20 BCED O=C1CC[C@@H]2CN(C/C(O)=N/C3CC3)CCN12 329019408 HJAKNJBKIDPVLP-SNVBAGLBSA-N 237.303 0.412 30 20 BCED CCc1onc(C)c1N/C(O)=N/CC(=O)NC 330497013 WYKMJEZUFTWOAV-UHFFFAOYSA-N 240.263 0.617 30 20 BCED C/N=C(/O)NCC(=O)NCc1cnc(C)s1 330502620 BUXTVFPOVGDLQI-UHFFFAOYSA-N 242.304 0.201 30 20 BCED C=C[C@H](C)N/C(O)=N/C[C@@H](O)C1CCOCC1 330931011 RSMADAGWMVRATH-GXSJLCMTSA-N 242.319 0.852 30 20 BCED Cc1cc(N/C(O)=N/CCC[C@@H](C)O)nn1C 331213048 KXXSZRZASAKFHQ-SECBINFHSA-N 240.307 1.215 30 20 BCED COC1(C(=O)N2CC(C)(C#N)C2)CCOCC1 331980276 NEWNMLQIUGGNHA-UHFFFAOYSA-N 238.287 0.554 30 20 BCED N#C[C@@H]1CN(C(=O)NC2CC(F)(F)C2)CCO1 332503208 ZWVCNHDOQIONIB-MRVPVSSYSA-N 245.229 0.718 30 20 BCED Cn1nccc1CC(=O)N[C@H](C#N)C1CC1 333119458 GXYWCMOWWFZYLN-SNVBAGLBSA-N 218.260 0.381 30 20 BCED CC(=O)N1CCC[C@@H]1C(=O)N(C)C1(C#N)CCC1 334176731 BRLZFWJVCFQQKF-LLVKDONJSA-N 249.314 0.902 30 20 BCED C[C@@H]1CN(C(=O)CSCC#N)[C@H](C)CN1C 335134360 VZVPVPSMVRZQAW-NXEZZACHSA-N 241.360 0.794 30 20 BCED C=CCN(C)C(=O)Nc1nc2n(n1)CCCC2 335241866 PSYNQCHCWDDTCT-UHFFFAOYSA-N 235.291 1.264 30 20 BCED C[C@H](C#N)CNC(=O)C(=O)N1CCC[C@H](C)C1 335508629 YMOSQUYMRYLQIQ-VHSXEESVSA-N 237.303 0.521 30 20 BCED CN1CC[C@H](C(=O)N[C@@]2(C#N)CC2(C)C)C1 336103313 ZOQSCCHLYWFSDT-JOYOIKCWSA-N 221.304 0.747 30 20 BCED COC(=O)[C@@H]1C[C@@H]1C(=O)NCC(C)(C)C#N 337032467 FIYYGKHDCZPABT-JGVFFNPUSA-N 224.260 0.461 30 20 BCED CCCN(CC1(C#N)CC1)[C@H]1CC(=O)N(C)C1=O 338334857 YDEWGUBNLSIWRQ-JTQLQIEISA-N 249.314 0.759 30 20 BCED Cc1c(C#N)cccc1C(=O)NC[C@](C)(O)CO 338627422 QJJCRDRAVXSSLI-ZDUSSCGKSA-N 248.282 0.340 30 20 BCED C=CCOCCN(C)CC(C)(CO)CO 339023441 KBYNMONXTJXOQP-UHFFFAOYSA-N 217.309 0.112 30 20 BCED C=CCCCN(CC#N)S(=O)(=O)N(C)C 340055537 RQGJJKWUTBAANG-UHFFFAOYSA-N 231.321 0.585 30 20 BCED C[C@H](C#N)NC(=O)CNC(=O)C1CCCCC1 340434726 MLGHPMXUBCMRNK-SECBINFHSA-N 237.303 0.711 30 20 BCED Cn1cnc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 340507311 WUNILZDMTYDJGF-UHFFFAOYSA-N 241.214 0.139 30 20 BCED N#Cc1ncn(CCNc2ncccc2C#N)n1 343499535 DFWYBODPKYCNED-UHFFFAOYSA-N 239.242 0.529 30 20 BCED C=CCOCCCN(C)CC(=O)OC 347975525 WOZSNERPJGEZPR-UHFFFAOYSA-N 201.266 0.684 30 20 BCED COCc1ncc(C(=O)N[C@H](C)C#N)s1 351641662 PZQDIRCGONYYIO-ZCFIWIBFSA-N 225.273 0.931 30 20 BCED C[C@H]1CN(C)[C@H](C)CN1C(=O)[C@H](C)C#N 352012035 DFRCDWVBWCMDHP-BBBLOLIVSA-N 209.293 0.697 30 20 BCED C=CCOCC(=O)N1CCCC[C@@H]1C(=O)NC 354570393 CMLIEOACMLZWOD-SNVBAGLBSA-N 240.303 0.316 30 20 BCED C=CCN(CC=C)C(=O)N[C@H]1CC[S@](=O)C1 355226418 SZEWRBUQDAGJPD-QFYYESIMSA-N 242.344 0.891 30 20 BCED C[C@@H]1CN(C(=O)NCCC#N)CC[C@H]1O 355660872 WLBGYFKBVHSINL-RKDXNWHRSA-N 211.265 0.312 30 20 BCED N#CCNC(=O)c1ccc(C(N)=O)cc1 355690772 YYUZKKFXXMLZBW-UHFFFAOYSA-N 203.201 0.039 30 20 BCED C=CCCC1(C(=O)NCCC(N)=O)CC1 356223860 UHIMCEBXTAFLGU-UHFFFAOYSA-N 210.277 0.724 30 20 BCED CC(C)(C#N)C(=O)N[C@H](CO)CC(F)(F)F 356431104 PPBJTUOYNSXNOF-LURJTMIESA-N 238.209 0.966 30 20 BCED COC(=O)CN(CC#N)C(=O)[C@@H]1[C@@H](C)C1(F)F 359325459 LENPXJNZTRZQFU-SVRRBLITSA-N 246.213 0.413 30 20 BCED N#CCN1CCC[C@@H](CNC(=O)c2ccon2)C1 359375989 IYXMDORRMYQCKW-JTQLQIEISA-N 248.286 0.640 30 20 BCED CC(C)(C)n1cc(C(=O)N(CC#N)CC#N)nn1 359449568 QVXXZEYCKXNNSL-UHFFFAOYSA-N 246.274 0.522 30 20 BCED C[C@H](C#N)C(=O)N1CC(OCC(F)F)C1 359830152 JRADTGZVBZQAIR-ZCFIWIBFSA-N 218.203 0.639 30 20 BCED CO[C@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 361362955 XAXUCUGXPSWEGA-MNOVXSKESA-N 239.319 0.468 30 20 BCED CCc1[nH]nc(C(=O)N[C@@H](C)C#N)c1[N+](=O)[O-] 362347267 TWVQXHXKWSEOPY-YFKPBYRVSA-N 237.219 0.522 30 20 BCED C#CCN(CC#N)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 370688225 HLCPLHGKAPUHTL-SDDRHHMPSA-N 232.283 0.787 30 20 BCED COC(=O)[C@]12CCC[C@H]1CN(C(=O)CC#N)C2 372227292 LBCYHGQYULZERE-CABZTGNLSA-N 236.271 0.702 30 20 BCED C#C[C@@H](NC(=O)[C@H]1CN2CCCN1CC2)C(C)C 374058596 UNSLCVHHFCUVGY-CHWSQXEVSA-N 249.358 0.150 30 20 BCED CC(CCCO)=NNC(=S)N(C)C 378782131 HXRXLUUWGHLWFE-UHFFFAOYSA-N 203.311 0.571 30 20 BCED C#CCOCCN[C@H](C)c1nncn1C 380255652 QFODXEUICSCAER-SECBINFHSA-N 208.265 0.116 30 20 BCED COC(=O)c1ccc(=NCCC#N)[nH]c1C 381292750 DYJPIRJEMJYHOV-UHFFFAOYSA-N 219.244 0.924 30 20 BCED COC[C@@]1(C)CCN(S(=O)(=O)[C@H](C)C#N)C1 381667615 BJNNONPCWFGOPR-ZJUUUORDSA-N 246.332 0.587 30 20 BCED C=C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)OC 381703535 ISVGBFHCXXNTLN-VWYCJHECSA-N 227.304 0.855 30 20 BCED COc1ccc(F)cc1C=NNCC(=O)O 382228819 PANKZMUZKJRQFC-UHFFFAOYSA-N 226.207 0.842 30 20 BCED N#Cc1ccc(OCC2(CO)COC2)cc1 384424227 TZXMONDKPBQLED-UHFFFAOYSA-N 219.240 0.946 30 20 BCED C=CCONC[C@H](O)CO[C@H](C)COC 387001711 AYEGGISEXJMZRR-ZJUUUORDSA-N 219.281 0.106 30 20 BCED C=CCOCCN[C@@H]1CCNC(=O)CC1 396669623 YAHBRHBDNQYMKU-JTQLQIEISA-N 212.293 0.447 30 20 BCED CN1CCN/C1=N/CCCOC(F)F 398274824 WWHOJCWDIRJSDV-UHFFFAOYSA-N 207.224 0.507 30 20 BCED COC[C@H](C)S(=O)(=O)N1CCC[C@@H](C#N)C1 399651335 RWYYQZJGAGDTMB-UWVGGRQHSA-N 246.332 0.587 30 20 BCED CC[C@@H]1CN(c2cc(C#N)ncn2)C[C@H]1O 400046087 QLXIWWDMHCFETI-PSASIEDQSA-N 218.260 0.555 30 20 BCED CC[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O 400068741 FUZWSKKPMIPKJB-SCZZXKLOSA-N 218.260 0.555 30 20 BCED C=C(C)CONC(=O)c1csc(=NC)[nH]1 400886277 JIRMKJCODCYVTI-UHFFFAOYSA-N 227.289 0.844 30 20 BCED C[C@@H]1C[C@H]1CNS(=O)(=O)N(C)CCC#N 408101060 ZGPLBMLDJHYGND-BDAKNGLRSA-N 231.321 0.322 30 20 BCED C=CCC(C)(C)CNC(=O)[C@]1(O)CCOC1 413822715 YKPIEENILSAYKQ-LBPRGKRZSA-N 227.304 0.856 30 20 BCED CC(C)[C@H](C#N)NC(=O)c1ccc2nn[nH]c2n1 416159505 MVBNLGJODFRSCV-VIFPVBQESA-N 244.258 0.631 30 20 BCED CC[C@H](C)CNS(=O)(=O)N(C)C[C@@H](C)C#N 420703658 HMNSCVBPLQCHTF-UWVGGRQHSA-N 247.364 0.958 30 20 BCED CN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCSC1 424151970 IWNVXKLMTSRZCA-UWVGGRQHSA-N 241.360 0.971 30 20 BCED CCc1ncc(NC(=O)[C@H](N)CCCC#N)cn1 424186244 GLABJPDZGZCFRJ-SNVBAGLBSA-N 247.302 0.999 30 20 BCED C=CCCn1cc(C(=O)N[C@@H](C)C#N)nn1 424612487 FSKIBAYYDHGYNB-QMMMGPOBSA-N 219.248 0.496 30 20 BCED C=CCn1cc(CNC(=O)[C@]2(C#N)C[C@H]2C)nn1 424916932 MVYDBJJKZKDEFL-SKDRFNHKSA-N 245.286 0.630 30 20 BCED CSCC[C@@H](O)C(=O)N[C@@H]1CC[C@H](C#N)C1 424968373 WABWHDGXTJCUIG-IVZWLZJFSA-N 242.344 0.909 30 20 BCED COCCN(CCOC)C(=O)[C@]1(C#N)C[C@H]1C 448562747 LTNPJICLUMJWKU-PWSUYJOCSA-N 240.303 0.658 30 20 BCED C=CC(C)(C)C(=O)N1CCN(C[C@H](C)O)CC1 450803611 WZHDHWPNUTXSJT-NSHDSACASA-N 240.347 0.724 30 20 BCED C=C(C)CNC(=O)N[C@@H](CC)C(=O)NC 454844906 XIEHJHUXGWGMJY-QMMMGPOBSA-N 213.281 0.386 30 20 BCED CC[C@@H](C)N(CC(=O)OC)C(=O)[C@@H](C)C#N 456062012 GNRPPLZJZSCPTJ-DTWKUNHWSA-N 226.276 0.946 30 20 BCED C=CCC[C@@H](CO)NC(=O)c1nccn1CC 456771581 VFHSPLAUDPDBRN-JTQLQIEISA-N 237.303 0.960 30 20 BCED C#C[C@@H](CC)NC(=O)N[C@@H]1CCCN(C)C1=O 491351504 UPTRMYFQFZZMKL-VHSXEESVSA-N 237.303 0.318 30 20 BCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnccc1C 491376220 ZDZPKQUFJNNPPR-SNVBAGLBSA-N 245.282 0.809 30 20 BCED C#C[C@H](CC)NC(=O)c1cc(OC)no1 491440949 SCTMCDKOGHCJAX-SSDOTTSWSA-N 208.217 0.825 30 20 BCED C#C[C@@H](CCC)NS(=O)(=O)C[C@@H]1CCOC1 491658436 LNIPSWGXTUHENI-MNOVXSKESA-N 245.344 0.744 30 20 BCED C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCO1 491794285 PVKNALUMZGMADG-UWVGGRQHSA-N 210.277 0.829 30 20 BCED C=CCOCC(=O)NCC(C)(C)OCCO 494543923 HHRQFXXJEMQYRE-UHFFFAOYSA-N 231.292 0.093 30 20 BCED CN(C[C@H](O)CN[C@@H]1CC[C@H](C#N)C1)C1CC1 514598750 KEXRVDVKDUSVEA-DMDPSCGWSA-N 237.347 0.723 30 20 BCED C=CCn1cc(CN[C@@H]2CCC[C@@H](N)C2)nn1 519425049 HBMWHRRCGPMCPN-GHMZBOCLSA-N 235.335 0.824 30 20 BCED C[C@@H](CCC#N)N(C)CCOCCO 519613204 WWTVDUVPFBTPPP-JTQLQIEISA-N 200.282 0.619 30 20 BCED C[C@@H](CC#N)N(C)C(=O)c1ccc2nnnn2c1 531554753 XPLMERQVJGBAOM-QMMMGPOBSA-N 244.258 0.498 30 20 BCED C=CC[C@H](CO)CNC(=O)[C@@H](C)N1CC(C)C1 568207809 OQGOSIKMOFSCOT-NEPJUHHUSA-N 240.347 0.627 30 20 BCED CO[C@H](C)CCNC[C@@H](O)CN(C)CCC#N 569803212 HSEAQNFFFNCAIZ-VXGBXAGGSA-N 243.351 0.207 30 20 BCED C[C@]1(CO)CCC[C@@H]1N=c1cc[nH]c(C#N)n1 571060306 LLPFIBWPHOHAIL-JOYOIKCWSA-N 232.287 0.733 30 20 BCED CNCC(=O)N1CCC(CCC#N)CC1 572003173 QBABOUDIEQAGJH-UHFFFAOYSA-N 209.293 0.748 30 20 BCED C=CCCn1cc(C(=O)N2CCCOC2)nn1 574271509 XXIGODUSAYXXFT-UHFFFAOYSA-N 236.275 0.674 30 20 BCED C=CCN(C(=O)c1cnc(N)cn1)C1CC1 575043916 YYQKFECTDPTIDD-UHFFFAOYSA-N 218.260 0.849 30 20 BCED Cc1cc(C#N)cnc1C(=O)N[C@@H]1CC[C@H]1O 575379044 SIJUXMCEONTMAC-NXEZZACHSA-N 231.255 0.515 30 20 BCED CC/C=C\CNC(=O)N1CCO[C@H](C#N)C1 576836865 UZBOOVIXYKRMPV-UMBAGQNISA-N 223.276 0.887 30 20 BCED CCC[C@@H](C#N)NC(=O)c1cncc(OC)n1 583356636 ISZKQEGDWNDHGX-QMMMGPOBSA-N 234.259 0.907 30 20 BCED N#Cc1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)n1 589455637 UUDVDQFXCPAXLT-HOMQSWHASA-N 245.282 0.987 30 20 BCED N#Cc1ccncc1N1C[C@@H]2[C@@H](CO)[C@@H]2C1 589871950 XXNIALZLCQZGSF-URLYPYJESA-N 215.256 0.628 30 20 BCED C=C[C@H](O)C(=O)NCc1ccc([N+](=O)[O-])cc1 590426112 HWUMZTWAVWZVKS-JTQLQIEISA-N 236.227 0.758 30 20 BCED Cn1c(C(=O)N2CC(C#N)C2)ccc1[N+](=O)[O-] 590489193 OXGXCMQRKFEHBI-UHFFFAOYSA-N 234.215 0.529 30 20 BCED Cc1ncc(CN2CC[C@@](O)(CC#N)C2)cn1 592151035 JMKVKFOYTYACJH-LBPRGKRZSA-N 232.287 0.636 30 20 BCED CC1(C#N)CN(C[C@H]2CNc3ccnn3C2)C1 592516931 HSJIWRKTGZKUAW-SNVBAGLBSA-N 231.303 0.770 30 20 BCED CCc1nncn1CCNC(=O)[C@@H](C#N)CC 593482738 CMEIFKHFACBHEE-SECBINFHSA-N 235.291 0.506 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](C)CCS(C)(=O)=O 593528280 KYMAGXZMKKRUGK-DTWKUNHWSA-N 246.332 0.476 30 20 BCED CCC[C@H](O)[C@@H](CO)NC(=O)[C@H](C#N)CC 593741149 IDSFPODLRYRUDX-AEJSXWLSSA-N 228.292 0.174 30 20 BCED CC[C@H](CC#N)N[C@@H](C)C(=O)NCCCOC 594011780 RSGQMBVHGCNKDL-WDEREUQCSA-N 241.335 0.809 30 20 BCED CN(C[C@@H](O)C1CC1)c1ccnc(C#N)n1 594557460 LUKGQKXCYIASOP-SECBINFHSA-N 218.260 0.555 30 20 BCED N#CC1(CS(=O)(=O)N2CC[C@@H]3C[C@H]3C2)CC1 595353790 PJPDQGNJXOZJBU-ZJUUUORDSA-N 240.328 0.962 30 20 BCED COC(=O)[C@](C)(CO)NCc1ccc(C#N)cc1 595530712 VLJKUVOAUBHXKP-ZDUSSCGKSA-N 248.282 0.572 30 20 BCED N#C[C@H]1CN(c2nc3ccccn3n2)CCO1 596117196 XSALHXRBJXBBAQ-VIFPVBQESA-N 229.243 0.458 30 20 BCED CC[C@@H](C#N)NC(=O)c1nc[nH]c2nccc1-2 597043139 IJCRIUAJFKWAJK-ZETCQYMHSA-N 229.243 0.941 30 20 BCED C[C@H](O)[C@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 598604295 QFUDTZAMCSJZGN-SDDRHHMPSA-N 240.347 0.990 30 20 BCED CC(C)(C#N)C[C@H](O)CN[C@H]1C[C@H](O)C1 598729228 HLOKXCWOMDKUJH-GUBZILKMSA-N 212.293 0.400 30 20 BCED CCC(CC)NCCN=c1cc[nH]c(C#N)n1 599098445 VBTJVGOUIKZMCX-UHFFFAOYSA-N 233.319 0.960 30 20 BCED CCC(CC)NCCNc1cc(C#N)cnn1 599098668 XPKBBWWGLCPHTQ-UHFFFAOYSA-N 233.319 1.538 30 20 BCED Cc1nocc1CNS(=O)(=O)CCCC#N 601426552 FHZNVIAYZLMTJC-UHFFFAOYSA-N 243.288 0.706 30 20 BCED CC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)nn1 603332677 NUSCMZPBEQTQST-LLVKDONJSA-N 247.302 0.941 30 20 BCED CCc1c(C(=O)N(C)CC#N)cnn1C 608777488 BIFWPPIIYGEYIV-UHFFFAOYSA-N 206.249 0.578 30 20 BCED CC(=O)N(C)CC(=O)N1CCC[C@@](C)(C#N)C1 612369336 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0.088 30 20 BCED C=C[C@H](O)C(=O)N(Cc1ccccc1)C[C@@H](C)O 669109206 BDNOYXLIMMNJAL-YPMHNXCESA-N 249.310 0.943 30 20 BCED C#CCOCCN(C)C(=O)[C@@](C)(CC)OC 688060962 OOHALIBFGORDRP-GFCCVEGCSA-N 227.304 0.910 30 20 BCED C#CCCCCC(=O)N[C@H]1CNC(=O)C1 692877171 WJKWOUGGXWJHQT-SECBINFHSA-N 208.261 0.185 30 20 BCED C#CCNCC(=O)N1CCS[C@@H](C(C)C)C1 707303236 RABYDJZZTDEBSW-LLVKDONJSA-N 240.372 0.809 30 20 BCED C#CCCCS(=O)(=O)N(C)C[C@H]1CCOC1 710186651 RUWPMZARZBXMIS-LLVKDONJSA-N 245.344 0.698 30 20 BCED CC#CC[C@H](CO)NCc1ccccn1 717785072 APWXPOSERUVBJY-GFCCVEGCSA-N 204.273 0.946 30 20 BCED N#CCCN(CCC#N)C(=O)C[C@H](N)C(F)F 724766544 KUMKTNNOCKKKTB-QMMMGPOBSA-N 244.245 0.625 30 20 BCED C[C@@H](C#N)CNC(=O)CN1CCSC1=O 732111556 OWGBQTBLLUHQEQ-ZETCQYMHSA-N 227.289 0.431 30 20 BCED N#CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1C(=O)O 739072124 GNZDQDMBUAEUCG-NXEZZACHSA-N 236.271 0.859 30 20 BCED C#CCCCNC(=O)NCc1nnnn1C1CC1 743690054 LQFIGYTWBLMCGC-UHFFFAOYSA-N 248.290 0.221 30 20 BCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CC)OC 744630923 NLHGYYKXDACFPI-BDAKNGLRSA-N 227.260 0.093 30 20 BCED C#CCNC(=O)CONC(=N)c1cccc(F)c1 747834232 QPSDYUXHNFCBFI-UHFFFAOYSA-N 249.245 0.422 30 20 BCED CCC[C@H](C#N)NC(=O)CN1CCSC1=O 750574479 DAPGGEYQTFNWGK-MRVPVSSYSA-N 241.316 0.964 30 20 BCED C#CCOCCNC(=O)C1[C@H]2CCC[C@H]12 753229640 ZBYPUYOIYAJCSZ-UWVGGRQHSA-N 207.273 0.799 30 20 BCED C#CCOCCNC(=O)NCC(C)(C)CCO 753375581 CTWZCLMVSNTWKY-UHFFFAOYSA-N 242.319 0.344 30 20 BCED Cn1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cn1 753935344 NRSHONWQTSVOPR-PHIMTYICSA-N 246.318 0.614 30 20 BCED C#CC(=O)NCCc1ccc(OC)cc1OC 753981649 WEMHGHJZHNTDCH-UHFFFAOYSA-N 233.267 0.996 30 20 BCED C#CC(=O)N1CCCN(C(=O)OCC)CC1 753988658 ZTTHHHLKVJZXJN-UHFFFAOYSA-N 224.260 0.310 30 20 BCED Cn1cncc1C=NNc1cccnn1 755733706 SUNGNTVLADGJAE-UHFFFAOYSA-N 202.221 0.656 30 20 BCED C#CCN1CCC[C@H]1C(=O)N[C@@H](C#N)CC 758950106 ZTXKBXJAHOPUNZ-MNOVXSKESA-N 219.288 0.502 30 20 BCED C#CCOCCOC(=O)CCCOCC 762718888 RGATUPJLEXFDNR-UHFFFAOYSA-N 214.261 0.996 30 20 BCED C[C@H](CO)N(C)C(=O)COc1cccc(C#N)c1 765216124 AXBRPHRPISTJSJ-SNVBAGLBSA-N 248.282 0.776 30 20 BCED CS(=O)(=O)CCNN=Cc1cncs1 767780582 DYPMRMPPGPLILC-UHFFFAOYSA-N 233.318 0.111 30 20 BCED C#CC(=O)NCCN1CCCC(C)(C)C1 769707536 KAVRRYHVFOVBNB-UHFFFAOYSA-N 208.305 0.858 30 20 BCED CC(C)n1cc(C=Nn2cnnc2O)cn1 770616301 XOLSBDPBWWDZRF-UHFFFAOYSA-N 220.236 0.643 30 20 BCED NC(=O)CON=C1CCc2cc(F)ccc21 771573909 BPSCDZRORXLYKJ-UHFFFAOYSA-N 222.219 0.978 30 20 BCED CN(CC(=O)OCC#N)[C@H]1CCSC1 772043966 FNWHKPKEEUSPJV-QMMMGPOBSA-N 214.290 0.490 30 20 BCED C#C[C@H](NC(=O)[C@@H](C)OC)[C@H]1CCCO1 772893688 UFBRHXBJXSIUPG-KXUCPTDWSA-N 211.261 0.318 30 20 BCED CC(C)[C@@]1(C)C[C@H]1C(=O)OCC(=O)NCC#N 775071003 JRFHZWNDNBYBAS-JOYOIKCWSA-N 238.287 0.852 30 20 BCED C=CCNC(=O)CNC(=S)NCCCC 776734720 LSZNNRWUJUFMOG-UHFFFAOYSA-N 229.349 0.553 30 20 BCED C#CCCCCCC(=O)N[C@@H](COC)C(N)=O 780010656 IXUJKLCSJJPNAS-JTQLQIEISA-N 240.303 0.187 30 20 BCED CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NO)C1 782172460 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BCED CC(C[C@@H]1CCC(=O)N1)=NN1CCOCC1 811630042 QYLGHQQBVOBGPO-JTQLQIEISA-N 225.292 0.363 30 20 BCED C=CCNC(=O)[C@@H](C)OC(=O)CCCC#N 812616665 LCOLEACTJZVEFO-SECBINFHSA-N 224.260 0.914 30 20 BCED COCCNC(=O)[C@@H](C#N)C(=O)CCCC#N 813059886 KJRPZVNCVSWENN-VIFPVBQESA-N 237.259 0.152 30 20 BCED C=C[C@@H](O)C(=O)OCC(=O)c1ccc(C#N)cc1 814545190 MHPKTWLKNKAJKQ-LLVKDONJSA-N 245.234 0.831 30 20 BCED Cc1nnc(NN=CC2(C)COC2)nc1O 814734674 GYXYBHGZRDRPPK-UHFFFAOYSA-N 223.236 0.320 30 20 BCED C[C@H]1CN=C(NN=C2COc3cc(F)ccc32)N1 814897162 GITCPDBKJMPAPR-ZETCQYMHSA-N 248.261 0.860 30 20 BCED Cc1nn(C)c(N)c1C=NOC[C@H]1CCOC1 814912347 QCPSTAHRWMXYIP-VIFPVBQESA-N 238.291 0.698 30 20 BCED CC(=NN[C@H]1CCOC1)c1c[nH]nc1C 814919852 RSXONBGQVFFBKP-VIFPVBQESA-N 208.265 0.821 30 20 BCED C[C@@H](O)CNN=Cc1cn2ccccc2n1 814964208 XLQZJCFKSGXWCP-SECBINFHSA-N 218.260 0.639 30 20 BCED C#CCCNC(=O)c1c[nH]c(C(=O)OC)c1 815609270 CFDPHLAFOADBBH-UHFFFAOYSA-N 220.228 0.554 30 20 BCED C#Cc1ccc(C(=O)N[C@H](CC)C(=O)O)cn1 817675282 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219.231 0.778 30 20 BCED Cc1cccnc1C(=O)N[C@@H]1CNC[C@H]1C#N 834479233 BHPVJTOUNFWITO-NXEZZACHSA-N 230.271 0.231 30 20 BCED COc1cc(CC(C)=NOCC(N)=O)ccn1 834969923 ZQCBKZMXBBJROK-UHFFFAOYSA-N 237.259 0.511 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CCOC1 835143151 VTHSJOYXUSXUMD-BBBLOLIVSA-N 212.245 0.910 30 20 BCED C#CCO[C@@H](C)C(=O)OC[C@@H](C)C(=O)OCC 835198358 HOHHZGZSLAZIBV-ZJUUUORDSA-N 242.271 0.767 30 20 BCED C=CC(C)(C)C(=O)OCC(=O)c1cnnn1C 837862643 VKZKIKGGVNKQHS-UHFFFAOYSA-N 237.259 0.753 30 20 BCED C#CC[C@H](NC(=O)C(C)(C)COC)C(=O)OC 837949806 FNXPSPVIPNOTBH-VIFPVBQESA-N 241.287 0.340 30 20 BCED C=CCONC(=O)NC[C@H](CC)OC 838712994 GVYLYJDWVDRQHY-QMMMGPOBSA-N 202.254 0.828 30 20 BCED C[C@H](C#N)CNC(=O)Nc1cnsn1 839114883 KBKSCXYHHFSLIA-RXMQYKEDSA-N 211.250 0.819 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=S)NCCN(C)C 840801223 JPXBDLCIUFGDOA-ZJUUUORDSA-N 243.376 0.356 30 20 BCED CC(=NN(C)[C@@H](C)CO)c1csc(N)n1 842544854 WZSPRZATQOLWIM-LURJTMIESA-N 228.321 0.762 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1cc(O)cs1 844152664 HCYVLJAXIFEWKD-QMMMGPOBSA-N 239.296 0.958 30 20 BCED C=C(C)CNC(=S)NCC(=O)NOCC 844593486 NZOTWXMJFBDUIT-UHFFFAOYSA-N 231.321 0.094 30 20 BCED COC/C(C)=C/C(=O)O[C@@H](C#N)COC 845244206 NYJQYXPDXJAHTP-SGDMMICCSA-N 213.233 0.661 30 20 BCED C=C[C@H](C)ONC(=O)N[C@@H](CC)CCO 845629024 BALLJQBMRXEVFV-IUCAKERBSA-N 216.281 0.953 30 20 BCED C=C[C@H](C)ONC(=O)CN(C)C(C)C 846551441 STYJNOZGXNWVJF-VIFPVBQESA-N 200.282 0.949 30 20 BCED C[C@@H](CN)NC(=O)c1cccc(CC#N)c1 846675843 ZFGCYZAJVYLIJP-VIFPVBQESA-N 217.272 0.830 30 20 BCED CC[C@](C)(C#N)C(=O)N1CCCN(C=O)CC1 847368786 KDLQQWUTDWBFGN-GFCCVEGCSA-N 237.303 0.617 30 20 BCED C/N=C(/NC[C@@H](OC)C(C)C)NC1CC1 849004616 RQRURTSSSJDTCO-SNVBAGLBSA-N 213.325 0.985 30 20 BCED C=CCS(=O)(=O)CCNC(=N)NC1CCC1 849017477 KCZOIPGELNWKCE-UHFFFAOYSA-N 245.348 0.254 30 20 BCED CC1(C)OC[C@@H](CN2CCO[C@@H](C#N)C2)O1 851761642 WSMGSHDAKRVWNF-VHSXEESVSA-N 226.276 0.362 30 20 BCED C#CCNC(=O)CN(C1CC1)[C@@H](C)C#N 852480484 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C[C@H](CN)CNC(=O)NCc1cccc(C#N)c1 417000038 UHFYJOBBVQACEP-SNVBAGLBSA-N 246.314 0.952 30 20 BCED C=C(C)COCCNC(=O)NC[C@H](N)C(C)C 417895279 UOLFDXGSRZZPNZ-NSHDSACASA-N 243.351 0.862 30 20 BCED C=CCn1cc(CNC(=O)[C@@H]2CCOC2)nn1 424906566 FYXYGXOJFNUNAK-SECBINFHSA-N 236.275 0.117 30 20 BCED CCN(CCNC(=O)NCCC#N)C(C)C 426438376 DBPKTOAJYGNVMI-UHFFFAOYSA-N 226.324 0.930 30 20 BCED CC(C)OC(=O)[C@@H](C)CNC(=O)NCCC#N 426445471 MFUBOOYETRETFB-VIFPVBQESA-N 241.291 0.787 30 20 BCED C=C(C)[C@H]1OCC[C@H]1CNCc1cn(C)nn1 435735458 NBHIFOIIHLJHTJ-CMPLNLGQSA-N 236.319 0.886 30 20 BCED C=CCOC[C@@H](NC(=O)C1(C)CC1)C(=O)OC 435948246 HRVKBXXPUVHDHT-SECBINFHSA-N 241.287 0.647 30 20 BCED C[C@H]1C[C@@]1(C#N)C(=O)N(C)CCN(C)C 450025061 RQNFKZXXNRLXDT-ONGXEEELSA-N 209.293 0.556 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@@](C)(O)CCC 456781695 SZYUPNITKFNBRD-PWSUYJOCSA-N 229.320 0.981 30 20 BCED C=C(C)CCNC(=O)N[C@@H]1COC[C@H]1O 458989130 AUJUFIACKGTBDL-RKDXNWHRSA-N 214.265 0.012 30 20 BCED C=CCn1cccc1C(=O)NCC(=O)OC 488396268 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C=CCCC(=O)NCCn1cnnc1CC 607041757 KDZWTQLXFCYTGU-UHFFFAOYSA-N 222.292 0.923 30 20 BCED Cc1nc(C)c(F)c(N2CCO[C@H](C#N)C2)n1 609269279 UKJKOMYEIOPJQX-SECBINFHSA-N 236.250 0.961 30 20 BCED COC(=O)c1ccc(C(=O)NC2(C#N)CC2)nc1 609648267 TZMDKEFNFPOWJM-UHFFFAOYSA-N 245.238 0.654 30 20 BCED Cc1ccc(C#N)nc1N(C)CC(=O)NC1CC1 611398987 FNHZTPRYZFZOGP-UHFFFAOYSA-N 244.298 0.977 30 20 BCED C=C[C@H](O)C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 612350057 KZIVMIUIUXTCTQ-SRVKXCTJSA-N 249.314 0.840 30 20 BCED Cc1nc(=NC(=O)C(C)(C)C#N)n(C)[nH]1 612504628 FUILTXQDHZPUHY-UHFFFAOYSA-N 207.237 0.034 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](C)c1ncon1 613145998 ONACEHPXHJRHAS-RCOVLWMOSA-N 211.221 0.184 30 20 BCED N#CCC(=O)N1CCO[C@H](C(F)(F)F)C1 613969146 ZVKVFUUSPOZWNX-LURJTMIESA-N 222.166 0.690 30 20 BCED C=C[C@](C)(CC)C(=O)Nc1nnc2nc[nH]n12 614993972 MRHYZHQMIMSCLG-SNVBAGLBSA-N 234.263 0.993 30 20 BCED C=C(C)CNC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 623908957 ZGQZTWJIOFZLQA-RKDXNWHRSA-N 246.332 0.437 30 20 BCED C=CCN1CC[C@@H](n2cc(C(=O)CC)nn2)C1=O 641107552 BWSGVABANSOLHR-SNVBAGLBSA-N 248.286 0.830 30 20 BCED C=C[C@H](O)C(=O)Nc1cnc(CC)nc1 646931038 UKRIIIWCTLCUTA-QMMMGPOBSA-N 207.233 0.524 30 20 BCED C=CCn1cc(C(=O)NCCOC(C)C)nn1 648354481 XNLBEUDYPWXPOT-UHFFFAOYSA-N 238.291 0.619 30 20 BCED C=C(C)CNC(=O)[C@@H]1CCCS(=O)(=O)C1 651773945 FHFWURVOPUYDGU-SECBINFHSA-N 231.317 0.504 30 20 BCED CC#CCCNC(=O)N[C@@H]1CCC[C@@H]1CO 655815298 URPHLZTTZIZKJD-GHMZBOCLSA-N 224.304 0.860 30 20 BCED C=CCCNC(=O)NCCN1CCSCC1 660824565 OCCOQCMYSUUDQG-UHFFFAOYSA-N 243.376 0.911 30 20 BCED C=CC[C@H]1CCCN(CCNS(C)(=O)=O)C1 661381292 ZHQHHMPAXCNKHG-NSHDSACASA-N 246.376 0.824 30 20 BCED C=C[C@@](C)(O)C(=O)N(C)C[C@H]1CCCCO1 666993454 UZEVHMCOVDQRCL-ZYHUDNBSSA-N 227.304 0.951 30 20 BCED C=C[C@](C)(O)C(=O)N(C)c1ccc(OC)nc1 667263319 BNALXRCXURTBMF-LBPRGKRZSA-N 236.271 0.990 30 20 BCED C=C[C@](C)(O)C(=O)NCCc1ccc(C)nc1 668578140 OAXPCWPCGNEBKJ-ZDUSSCGKSA-N 234.299 0.986 30 20 BCED CC[C@H](CCO)NC(=O)[C@H](N)CCCC#N 691594065 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C=C[C@](C)(O)C(=O)N[C@H](C)[C@@H](OC)C1CC1 615985220 LVTBSOXWPOZDSV-UISBYWKRSA-N 227.304 0.853 30 20 BCED C=C[C@@](C)(O)C(=O)N1C[C@@H](O)C[C@@H](C)C1 616295172 SYOAQLDHODRCMM-WCABBAIRSA-N 213.277 0.153 30 20 BCED C=CCCNC(=O)c1c(C)nc(N)nc1C 617617048 SVXCJVMYNDKGGT-UHFFFAOYSA-N 220.276 0.982 30 20 BCED C=C[C@H](CO)NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 623226346 HAPDABGMGONSHV-IEBDPFPHSA-N 249.314 0.739 30 20 BCED N#Cc1cn(CC(=O)[C@H]2CCCOC2)nn1 641501461 BMRGXRJQTXRGTM-QMMMGPOBSA-N 220.232 0.145 30 20 BCED C=CCn1cc(C(=O)NCc2nccn2C)nn1 648768276 YZVARDQUVDWPPV-UHFFFAOYSA-N 246.274 0.128 30 20 BCED C=C(C)CN(C)C(=O)[C@H]1CCc2nnnn2CC1 651674840 CVHGQGBLUHOPKT-JTQLQIEISA-N 249.318 0.660 30 20 BCED COCC#CCn1cnc(N)c(Cl)c1=O 664081499 XDLHOKDLVTZONZ-UHFFFAOYSA-N 227.651 0.129 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C 667157135 SXBZLDFLISGDAD-UFBFGSQYSA-N 242.319 0.343 30 20 BCED C=CCN(C)C(=O)C(=O)NCc1ccoc1C 671413551 PIHRKJDVGUDZRH-UHFFFAOYSA-N 236.271 0.849 30 20 BCED O=C(NO)c1cn(-c2ccc(F)cc2)nn1 671995682 IXTOFKPXOGJJGR-UHFFFAOYSA-N 222.179 0.525 30 20 BCED COc1cc(F)c(C(=O)NO)cc1OC 671995859 OBIMASBIJRPKKO-UHFFFAOYSA-N 215.180 0.962 30 20 BCED C=C[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 674960302 GUXXNHAVXJDZCY-ZCFIWIBFSA-N 207.233 0.418 30 20 BCED C=CC1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1 681270393 ZBDGCJARJBCZJQ-NSHDSACASA-N 236.315 0.889 30 20 BCED C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(C)C(=O)C1 685830974 MNZXVZFHFSXJRS-JOYOIKCWSA-N 240.303 0.051 30 20 BCED Cc1nc(C(=O)N(C)C[C@@H](C)N)ccc1C#N 702073123 MRAMAVCQJTVKRO-MRVPVSSYSA-N 232.287 0.681 30 20 BCED C=CC1CCN(C(=O)COCC(=O)O)CC1 706500980 MIZKPEYMTMOTJN-UHFFFAOYSA-N 227.260 0.512 30 20 BCED C#CCCS(=O)(=O)NC[C@H]1CCCOC1 711041897 KZMWHVMWJMLWHC-SNVBAGLBSA-N 231.317 0.356 30 20 BCED C#CCN1CCN(C(=O)c2n[nH]c(C)c2C)CC1 716625153 ZOTMNKJEZBYSAR-UHFFFAOYSA-N 246.314 0.418 30 20 BCED C#CC[C@H](CO)NC(=O)C1(OC)CCCCC1 717824818 UVYZWSGOQOPUOH-LLVKDONJSA-N 239.315 0.836 30 20 BCED C#CCC[C@H](O)CNC(=O)[C@H]1C[C@@H]1OCC 717852865 SNQAPYXBORVVFR-DCAQKATOSA-N 225.288 0.302 30 20 BCED CC(C)(C#N)C(=O)Nc1ccn(CC(=O)O)n1 736224563 RULKFMMZVKEGMP-UHFFFAOYSA-N 236.231 0.456 30 20 BCED CCc1nc(Cn2ccc(C=NO)nc2=O)no1 736302874 UIKOBFSLTKKEIO-UHFFFAOYSA-N 249.230 0.045 30 20 BCED C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)O 737708041 UJPATMIUKOHHMI-MRVPVSSYSA-N 249.222 0.953 30 20 BCED COCCN(CCC#N)C(=O)C1=COCC1 744348923 XCNOHWIEPSQOBK-UHFFFAOYSA-N 224.260 0.679 30 20 BCED C#Cc1ccc(C(=O)N2CC[C@@H](OC)C2)nc1 752041550 GBUVYIGKAULGPV-LLVKDONJSA-N 230.267 0.924 30 20 BCED Cn1nncc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 753935024 MDYCGLUMYLDRKM-AOOOYVTPSA-N 247.306 0.009 30 20 BCED C#CCNC(=O)[C@@H](C)OC(=O)C1(C)CC1 761432060 OPFNRXVREOFTPD-MRVPVSSYSA-N 209.245 0.468 30 20 BCED C[C@@H]1CC(=NC(=O)CCCn2ccnc2)NO1 763258831 HOSCGSIMACVYHI-SECBINFHSA-N 236.275 0.902 30 20 BCED Cc1nnc(NN=CC[C@@H]2CCOC2)nc1O 765560708 UCYNXVDBGUGQDP-MRVPVSSYSA-N 237.263 0.710 30 20 BCED CNC(=O)c1ccc(C(=O)OC[C@@H](C)C#N)cn1 770943252 IDKYHPGLOMANJE-QMMMGPOBSA-N 247.254 0.758 30 20 BCED C=CCS(=O)(=O)NC(=O)C[C@@H]1CCOC1 772717816 RHDMGTJWJAHBFM-QMMMGPOBSA-N 233.289 0.045 30 20 BCED C=CCS(=O)(=O)NC(=O)[C@H](CC)OC 772720774 SGPYQDFJGXVLIN-ZETCQYMHSA-N 221.278 0.043 30 20 BCED C#CCCN1CCN([C@H](CC)C(=O)OC)CC1 776595603 NXRXNIZDHPFJGN-GFCCVEGCSA-N 238.331 0.579 30 20 BCED CN(C)c1cnc(C(=O)NC(C)(C)C#N)cn1 779663673 MYLBZVCNJAVPPT-UHFFFAOYSA-N 233.275 0.575 30 20 BCED Cc1ncsc1C=NNC1=NC[C@@H](C)N1 779794277 GASNLSVWOGENEY-ZCFIWIBFSA-N 223.305 0.723 30 20 BCED CC(C)OCC(=O)NCc1ccc(C#N)cn1 781062570 LKJQLIQDJXFSIG-UHFFFAOYSA-N 233.271 0.994 30 20 BCED CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NO)C1 782172458 SJFMOUNXLBZIAN-DTWKUNHWSA-N 228.292 0.777 30 20 BCED C#CCOCCNS(=O)(=O)c1cccnc1 784456730 BMOCBRWBAZCRID-UHFFFAOYSA-N 240.284 0.010 30 20 BCED COC[C@@H](C#N)OC(=O)COc1cc(C)on1 785050104 YKPWCRSVCIBFOQ-MRVPVSSYSA-N 240.215 0.444 30 20 BCED C=CCCN(C)CCCOC(=O)NC(N)=O 786447284 VKVOELKMNRPXSG-UHFFFAOYSA-N 229.280 0.689 30 20 BCED CC#CCCNC(=O)NOC[C@H]1CCOC1 788317001 BAONCYNKMSOFEB-JTQLQIEISA-N 226.276 0.667 30 20 BCED CNC(=S)NN=C(C)c1cc(C)on1 790281363 GVBLDASSWIYTSZ-UHFFFAOYSA-N 212.278 0.801 30 20 BCED COCC(=O)COC(=O)c1ccc(C#N)s1 795540233 PWHCMUKGOCZLBA-UHFFFAOYSA-N 239.252 0.992 30 20 BCED CC[C@](C)(OC)C(=O)OCC(=O)NCCC#N 796396918 NUVQMXXAELDMIV-NSHDSACASA-N 242.275 0.375 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@H](CC)OC 799077348 DUIQPSAMMZQKCT-ZJUUUORDSA-N 213.277 0.302 30 20 BCED C#CCC[C@@H](O)CNC(=O)Cc1ccncc1C 799079140 ODANTGCIIWZREO-CYBMUJFWSA-N 246.310 0.823 30 20 BCED C[C@H](C#N)OCCN1CC[C@@](F)(C#N)C1 801947872 GQIZEGUIZSYRHX-NXEZZACHSA-N 211.240 0.853 30 20 BCED C#Cc1ccc(CN(C)[C@H]2CCNC2=O)cc1 809595023 FBHNPNMWUAUBER-ZDUSSCGKSA-N 228.295 0.988 30 20 BCED CC#CCS(=O)(=O)NC(=O)c1coc(C)c1 810772848 HKMQHJXQQZQDHU-UHFFFAOYSA-N 241.268 0.671 30 20 BCED CNC(=S)NN=Cc1cnc(OC)s1 812222220 JJVQMHCPVRHFOQ-UHFFFAOYSA-N 230.318 0.580 30 20 BCED COCCC(COC)=NNc1nccn1C 812229675 GKYGEPNSAMSJKY-UHFFFAOYSA-N 226.280 0.871 30 20 BCED NC(=O)CON=C1COc2cc(F)cc(F)c21 814893234 IJQOXHVTWZZQCB-UHFFFAOYSA-N 242.181 0.563 30 20 BCED C=CCN(CC(=O)OCC)C(=O)[C@@H](O)C=C 816954729 JQNGWZODPOXXNU-VIFPVBQESA-N 227.260 0.111 30 20 BCED N#CC1CN(C(=O)c2cccnc2S)C1 817558925 RXUZPURXKATABY-UHFFFAOYSA-N 219.269 0.966 30 20 BCED C[C@@](C#N)(CC(=O)O)C(=O)NCc1cccnc1 819842456 QGNHITQOHGVHLJ-LBPRGKRZSA-N 247.254 0.702 30 20 BCED C#C[C@H](C)NC(=O)N1CCN(C(C)C)CC1 820440670 MWIPRWUVORKLAR-NSHDSACASA-N 223.320 0.744 30 20 BCED C#CCNC(=O)NCc1ccc(CO)cc1 825589449 ADVBWIQGAXPCLB-UHFFFAOYSA-N 218.256 0.611 30 20 BCED C[C@H](C#N)CNC(=O)/C=C/c1ccc(C(N)=O)o1 827106412 UDMOVNBRGZMKJQ-RYEJSQLPSA-N 247.254 0.668 30 20 BCED C[C@H](CC(=O)O)C(=O)N(CCC#N)CCC#N 827246588 BHPBTEXWCHJPNI-SECBINFHSA-N 237.259 0.753 30 20 BCED C#Cc1cnc(N2C[C@H](O)C(C)(C)C2)nc1 828047468 OBHUUWHLTZKOLC-JTQLQIEISA-N 217.272 0.665 30 20 BCED C#CC1CCN(C(=O)Nc2ncn(C)n2)CC1 831835834 WDOKAVKOXLQXNR-UHFFFAOYSA-N 233.275 0.692 30 20 BCED CC1(C#N)CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 833551626 RMZFDCCZVSZEFW-DTWKUNHWSA-N 236.271 0.859 30 20 BCED CCCNC(=S)NN=C(C)c1cnn(C)n1 834931387 FXFMSDFNLAFJMT-UHFFFAOYSA-N 240.336 0.413 30 20 BCED CC(C)S(=O)(=O)NN=C1C[C@@H](C)O[C@@H]1C 834952799 NCRCLAHOCVSAGG-HTQZYQBOSA-N 234.321 0.868 30 20 BCED CC[C@@H](NN=C1CCN(OC)CC1)C(=O)O 834981347 NCRBKNXZOKOAOB-SECBINFHSA-N 229.280 0.452 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)OCCOCCOC 835122515 XALOBRJQYYZDQM-MNOVXSKESA-N 244.287 0.784 30 20 BCED C=CCONC(=O)[C@@H](CC)N1CCCC1=O 837048356 QMUMKPCJCDCCBB-SECBINFHSA-N 226.276 0.621 30 20 BCED C=CCONC(=O)[C@@H](CC)C(=O)OC 837049062 XPNXRUWOGFNKNK-SSDOTTSWSA-N 201.222 0.419 30 20 BCED C#CCO[C@H](C)C(=O)NC[C@@H](O)C1CCC1 837113943 LWPPHGBSFKHMHZ-MWLCHTKSSA-N 225.288 0.302 30 20 BCED C[C@H]1CN(C(=O)C#CC(C)(C)C)CC(=O)N1 837682537 PUOQHONNMNMWCZ-VIFPVBQESA-N 222.288 0.383 30 20 BCED C#CC[C@H](NC(=O)[C@@H]1CCCCO1)C(=O)OC 837949149 BCMLCQUTXQUOHW-UWVGGRQHSA-N 239.271 0.237 30 20 BCED C#CC[C@H](NC(=O)[C@H](OC)C(C)C)C(=O)OC 837949821 YRWJQOYNWIUFOE-VHSXEESVSA-N 241.287 0.339 30 20 BCED C=CCONC(=O)NCC[C@@H](C)OC 838708120 XZEPHOBJEFMRDD-MRVPVSSYSA-N 202.254 0.828 30 20 BCED C=CCONC(=O)NC[C@@H]1CC[C@H](C)O1 838715525 ULZOYSHUZAXKRK-IUCAKERBSA-N 214.265 0.971 30 20 BCED C=CCN(C(=O)NCCNC(=O)OC)C(C)C 838719837 FELQSADKOQHYIH-UHFFFAOYSA-N 243.307 0.948 30 20 BCED C#C[C@H](NC(=O)c1c(C)cnn1C)[C@H]1CCCO1 839728679 PAVGIBGUYVJMAT-WDEREUQCSA-N 247.298 0.639 30 20 BCED CON=CC(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 839828991 HKFUIBJVIIZLFW-GZMMTYOYSA-N 228.292 0.938 30 20 BCED C=C[C@@H](O)C(=O)O[C@@H]1CCC(C)(C)C1=O 840576262 FPBNVBYRCDTHOD-HTQZYQBOSA-N 212.245 0.834 30 20 BCED C#CCN1CCC[C@H]1C(=O)NCC1(C#N)CCC1 841469190 UCDJUHRDWWOTMX-LBPRGKRZSA-N 245.326 0.894 30 20 BCED CC[C@H](NN=Cc1cc(C)nn1C)C(=O)O 841642085 FTJHZTXYQWBESS-VIFPVBQESA-N 224.264 0.515 30 20 BCED C#CCN(CC#N)C(=O)[C@@H]1CCN(C)[C@@H]1C 843877816 MMUZYLISPLIIIJ-GHMZBOCLSA-N 219.288 0.312 30 20 BCED C=C(CO)C(=O)N1CCOC[C@@H]1C1CCC1 844037338 LFTBYJMUIRHUNF-LLVKDONJSA-N 225.288 0.562 30 20 BCED C#C[C@@H](C)NC(=O)Cc1ccn(CC)n1 844563610 YREVSVQIGZIKJI-SECBINFHSA-N 205.261 0.583 30 20 BCED C=C(C)CONC(=O)N[C@@H](CO)CCF 845614193 OETHSGMBIZIEGA-MRVPVSSYSA-N 220.244 0.514 30 20 BCED C=C[C@H](C)ONC(=O)[C@](C)(O)COC 846545930 KGRFJKDPPYVLTR-IONNQARKSA-N 203.238 0.006 30 20 BCED CCn1ncnc1C=NOC[C@H]1CCOC1 848408986 ILXUJDYEDIIXQM-VIFPVBQESA-N 224.264 0.685 30 20 BCED C/N=C(/NC)NCc1ncccc1OC 849038150 JCKJUFMLNIAXPX-UHFFFAOYSA-N 208.265 0.385 30 20 BCED C=CCCNC(=O)NCCc1ccnn1C 852255993 NNZJFQJVXRMZCM-UHFFFAOYSA-N 222.292 0.838 30 20 BCED C#CCCN(CCOC)CC[C@H]1CCNC1=O 852748936 LWOQQBIBTKPGJJ-GFCCVEGCSA-N 238.331 0.484 30 20 BCED C/N=C(/NC)NC[C@H]1CC(=O)N(C(C)(C)C)C1 853013317 WSWBRCDNWIKQIJ-SECBINFHSA-N 240.351 0.428 30 20 BCED C#CCOCCS[C@@H](C)C(=O)OC 853016258 VIACLTIRHLBFKB-QMMMGPOBSA-N 202.275 0.931 30 20 BCED CC(C)C#CC(=O)NCC(C)(C)OCCO 854485006 VJFXSARLJWIDIR-UHFFFAOYSA-N 227.304 0.550 30 20 BCED C#CC[C@@H](CO)NC(=O)c1cccc(OC)n1 854546028 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30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@@](C)(OC)C1 614239484 FQFAIMVJRITFLB-MWLCHTKSSA-N 213.277 0.561 30 20 BCED N#Cc1cc(N2CC[C@@]3(CCOC3)C2)ncn1 615281382 XGWBSLVKJGWOHJ-GFCCVEGCSA-N 230.271 0.965 30 20 BCED CCC[C@@H](O)CC(=O)N1CC(O)(CC#N)C1 619443973 JNQZPIMGPLAOGX-SECBINFHSA-N 226.276 0.024 30 20 BCED C=C[C@H](C(=O)OC)N1CCC[C@@H](CC(N)=O)C1 619718782 WVNUDQXWXVRXNO-VHSXEESVSA-N 240.303 0.301 30 20 BCED C=CC[C@H]1CCCN(C(=O)Cn2cnc(N)n2)C1 633617377 NOWJYNYOCKCBSC-JTQLQIEISA-N 249.318 0.675 30 20 BCED C=CCNC(=O)[C@H](C)n1cc(CCCO)nn1 640884747 CPXSFNFWBLFJPM-VIFPVBQESA-N 238.291 0.066 30 20 BCED CC#CC[C@H](CO)N=c1nc(C(C)C)[nH]o1 645403416 BJDMCAOMKSSETI-SECBINFHSA-N 223.276 0.801 30 20 BCED C=C[C@@H](O)C(=O)Nc1cccc(NC(=O)NC)c1 646629845 DWAWYLSEQKEEDY-SNVBAGLBSA-N 249.270 0.923 30 20 BCED C=C[C@@H](O)C(=O)Nc1ccn(CC(F)(F)F)n1 646924621 JWMKLGQUARWPKH-ZCFIWIBFSA-N 249.192 0.931 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1cc(C)nn1C 649189991 QUQYAGASJKWWRY-JTQLQIEISA-N 235.287 0.233 30 20 BCED CC#CC[C@@H](CO)NC(=O)c1cc(C)no1 649192747 OUQJQIDIUOPLEO-VIFPVBQESA-N 222.244 0.487 30 20 BCED C=C[C@H](O)C(=O)N(C)C1CCN(C)CC1 665073631 WUEQHLQXSZBODW-JTQLQIEISA-N 212.293 0.086 30 20 BCED COCC#CCN1CC[C@]2(CCOC2)C1 677820228 JQQKTXYJTXKKJN-LBPRGKRZSA-N 209.289 0.749 30 20 BCED C[C@]1(C#N)CCN(C(=O)c2cnc(CN)nc2)C1 687020481 BOXNXFAZEODOLC-GFCCVEGCSA-N 245.286 0.311 30 20 BCED C#CCOCCN(C)[C@@H](CC)C(=O)OC 688079480 PSLQIWAYLJGMOF-JTQLQIEISA-N 213.277 0.520 30 20 BCED CC#CC(=O)N1CC[C@@H](C)[C@@H](C(=O)O)C1 693421739 GIHIREBKXNTLCS-BDAKNGLRSA-N 209.245 0.579 30 20 BCED COC(OC)C(=O)N1CCC(C#N)CC1 693926199 RQDHBHUTCIHZAV-UHFFFAOYSA-N 212.249 0.367 30 20 BCED C=CCCS(=O)(=O)N(C)Cc1nncn1C 710049488 IPDZOWVPCPRFJS-UHFFFAOYSA-N 244.320 0.153 30 20 BCED C=CCCS(=O)(=O)N(CC)[C@H]1CCNC1 711064629 DGZPTGTUMIEPNZ-JTQLQIEISA-N 232.349 0.576 30 20 BCED CC(=O)CCC(=O)NCC#CCN(C)C 717690449 ORXRDFLGMPJIAK-UHFFFAOYSA-N 210.277 0.037 30 20 BCED C=CCC1(O)CN(C(=O)[C@H]2CCOC[C@H]2C)C1 720865642 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C[C@H](C#N)OCCN(CC(N)=O)C(C)(C)C 801929627 RAFBMBSWHTZVFZ-SECBINFHSA-N 227.308 0.501 30 20 BCED C=CCCOCC(=O)OCCCC(=O)N(C)C 802983392 YMERAWFAXFJNNZ-UHFFFAOYSA-N 243.303 0.991 30 20 BCED C#CCOCCC(=O)OCc1cn[nH]c1 803407478 FYMAJAJKPJLYRD-UHFFFAOYSA-N 208.217 0.493 30 20 BCED C[C@H](C#N)OC(=O)[C@@H](O)c1cccnc1 803958983 WGWWCRAZJVTHDX-APPZFPTMSA-N 206.201 0.570 30 20 BCED CN(C)c1ncc(C=NNc2nc[nH]n2)s1 807997108 QSESBKATNMTFKM-UHFFFAOYSA-N 237.292 0.773 30 20 BCED C#CCOc1ccc(C(=O)O[C@H]2CNOC2)cc1 808092420 SFLNJWCJYPLVPY-LBPRGKRZSA-N 247.250 0.759 30 20 BCED COCC#CCOC(=O)C[C@H]1CCCC(=O)N1 808685915 LGRAGSGSICHDGC-SNVBAGLBSA-N 239.271 0.238 30 20 BCED CON=CC(=O)NC[C@@H](C)N1CCCCC1=O 809794030 AZQRDJRLPADRQK-SECBINFHSA-N 241.291 0.136 30 20 BCED CC[C@H](O)CNN=Cc1ccccc1C(N)=O 811656956 ABKJLQBLFXHVDC-JTQLQIEISA-N 235.287 0.480 30 20 BCED C#CCON=Cc1ccc(S(N)(=O)=O)cc1 812234823 XLCCRHYZSZBDTG-UHFFFAOYSA-N 238.268 0.318 30 20 BCED CC(C)OC(=O)CNC(=O)CCCC#N 812501162 RKQPXYZNENGJQZ-UHFFFAOYSA-N 212.249 0.748 30 20 BCED C#CCOCCNC(=O)[C@@H](C)[C@H](C)COC 812543119 GMYNFFUVIKKVON-MNOVXSKESA-N 227.304 0.671 30 20 BCED C=CCS(=O)(=O)CCNC(=O)CCCC#N 812546471 BVTKKDLDAIHDHH-UHFFFAOYSA-N 244.316 0.397 30 20 BCED CC(Cn1cccn1)=NNC1=NC[C@@H](C)N1 814898733 VHMZCLYFVVMBHT-MRVPVSSYSA-N 220.280 0.196 30 20 BCED COC(=O)COC(=O)c1ncc(C#N)cc1C 815337203 DSLDGAFGCYVUIG-UHFFFAOYSA-N 234.211 0.592 30 20 BCED C=C(CN(C)C)C(=O)NC[C@H](C)CN(C)C 816832006 MPVSDEYVCLLRCP-JTQLQIEISA-N 227.352 0.418 30 20 BCED C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC(=O)O 819706250 RQLIGVDBUZNQBV-JTQLQIEISA-N 242.319 0.816 30 20 BCED C[C@@H](NN=Cc1cnnn1C)c1ccncc1 819816103 GXAXFIYHZOBYBN-SECBINFHSA-N 230.275 0.895 30 20 BCED C[C@H](NC(=O)[C@](C)(C#N)CC(=O)O)C1CC1 820113783 GOYTXKOQIAIWDG-CPCISQLKSA-N 224.260 0.906 30 20 BCED C#C[C@@H](CCC)NC(=O)N[C@H](C)c1nc[nH]n1 820653916 CMLTZTFBYJZXPM-BDAKNGLRSA-N 235.291 0.967 30 20 BCED C#C[C@H](CCC)NC(=O)N[C@@H](CO)CCOC 820660983 OAWMSSCKWDBQLH-GHMZBOCLSA-N 242.319 0.485 30 20 BCED C#CCO[C@@H](C)C(=O)NCc1cc(OC)ccn1 827225034 OAGUSYDHOQQKBJ-JTQLQIEISA-N 248.282 0.745 30 20 BCED C=C[C@H](O)C(=O)NC[C@@H](O)c1cccc(C)c1 830487708 PDBIPXFXYXAESP-NWDGAFQWSA-N 235.283 0.692 30 20 BCED C[C@]1(C#N)CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 832064465 JJABRTWYICPMLM-GXFFZTMASA-N 249.314 0.807 30 20 BCED C#CCCCC(=O)N1C[C@H]2CCN(C)[C@H]2C1 834307946 RAJDAOUVWAIZFC-NEPJUHHUSA-N 220.316 0.952 30 20 BCED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 834479552 FVXPDXSGCZZLLL-GCHJQGSQSA-N 233.315 0.650 30 20 BCED N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccccc1F 834507246 ZAXSMUIMTHZQPC-KCJUWKMLSA-N 233.246 0.667 30 20 BCED C#Cc1ccc(C(=O)N[C@@H](CC)C(=O)NC)nc1 837163946 YKBVSKQTDWLXDR-JTQLQIEISA-N 245.282 0.317 30 20 BCED COC(=O)[C@]1(C)CCCN1C(=O)C#CC1CC1 837552306 NKINMDFXPTZKDP-ZDUSSCGKSA-N 235.283 0.954 30 20 BCED C=CCONC(=O)NCCN1CC=CCC1 838711626 UKXZZSUCXODJDT-UHFFFAOYSA-N 225.292 0.665 30 20 BCED C=CCC[C@H](CO)NC(=O)NOCC=C 838714355 HGNNFKBUFPRJAK-SECBINFHSA-N 214.265 0.730 30 20 BCED C=CCNC(=S)NC[C@H]1CCOC[C@H]1OC 840790591 JYOXHLVFKJQDTA-NXEZZACHSA-N 244.360 0.688 30 20 BCED C=CCNC(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(F)F 844455554 VXVRJOVUNOPOTO-HLTSFMKQSA-N 230.258 0.874 30 20 BCED C=C[C@@H](C)ONC(=O)N1CCOC[C@@H]1CCO 845622546 CNRUZKZLQDGHDU-ZJUUUORDSA-N 244.291 0.285 30 20 BCED C=C(C)CN(C)C(=O)Cc1nonc1C 845922396 BZDLWARHNRXLEM-UHFFFAOYSA-N 209.249 0.955 30 20 BCED CON=CC(=O)NC(C)(C)c1ncc[nH]1 846247554 RKULCULGFYYBFY-UHFFFAOYSA-N 210.237 0.393 30 20 BCED N#C[C@H]1CN(Cc2ccc3nonc3c2)CCO1 846804415 UEOLGBNFCNFKPD-JTQLQIEISA-N 244.254 0.947 30 20 BCED C#CCOCCC(=O)OC[C@H]1CCN(C)C1=O 847793487 GKVUMEJXDQTGCR-SNVBAGLBSA-N 239.271 0.048 30 20 BCED C#CC(=O)NC[C@@H](C)C(=O)OC(C)(C)C 848308892 KFXLGBLJSXZODR-MRVPVSSYSA-N 211.261 0.714 30 20 BCED C/N=C(/NCCN1CC[C@@H](C)C1)NC1CC1 849005043 SENCNBCEFLBAKC-SNVBAGLBSA-N 224.352 0.656 30 20 BCED COCC#CCOC(=O)c1c(Cl)cnn1C 850316855 KHTNPZJKTWHEJJ-UHFFFAOYSA-N 242.662 0.880 30 20 BCED C#C[C@H](C)N(C)C(=O)NCC1(N)CCCC1 851670980 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C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(CC#N)C1 1015722439 BFGZELMIZRXGFM-MXWKQRLJSA-N 237.303 0.125 30 20 BCED COc1ccc(C(=O)N[C@H]2CCN(CC#N)C2)o1 1015894311 NWWCLKCVELXAII-VIFPVBQESA-N 249.270 0.616 30 20 BCED C=CCN1CC[C@H](NC(=O)c2[nH]cnc2C)C1 1016425117 QHRAZCHLMJXMEJ-JTQLQIEISA-N 234.303 0.708 30 20 BCED C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)C#N 1017421174 CYZSFNUHKALYJC-UTUOFQBUSA-N 231.299 0.454 30 20 BCED C#CCN1CCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 1028193622 WYOAAGYXMYMVEP-LLVKDONJSA-N 246.314 0.546 30 20 BCED N#CCN1CC[C@H](CNC(=O)C2CC2)C1 1028356563 LMORHMHPQQFDTB-SECBINFHSA-N 207.277 0.358 30 20 BCED C=CCN1CC(CNC(=O)c2cn(CC)nn2)C1 1032080232 MOGVARSIHUIREH-UHFFFAOYSA-N 249.318 0.146 30 20 BCED CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N 1032318561 QQFIRAIEVJANDJ-SRVKXCTJSA-N 231.299 0.454 30 20 BCED C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CC1 1032619422 TVDBMKZMNAUVOW-QWRGUYRKSA-N 236.290 0.654 30 20 BCED CN(C(=O)[C@@H]1CC12CC2)[C@@H]1CCN(CC#N)C1 1033451918 ZCQFFPNVESTKAU-MNOVXSKESA-N 233.315 0.843 30 20 BCED C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1NCC#N 1035937599 ZBXBKZAPCYTWCB-VHSXEESVSA-N 247.302 0.373 30 20 BCED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cocn1 1037344493 SXZNMDMSHLYHMD-MIMYLULJSA-N 233.271 0.663 30 20 BCED C=CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nonc1C 1037746155 RKBLMPQGAUSRNL-YWVKMMECSA-N 248.286 0.367 30 20 BCED Cc1ncc(C(=O)NC[C@H]2CCN2CC#N)n1C 1038635823 ZGCOIKYILWPAKL-SNVBAGLBSA-N 247.302 0.056 30 20 BCED C#CCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2C)C1 1042436209 WIDQWXJZSVWQKI-ZYHUDNBSSA-N 220.316 0.808 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 1044784941 XCCSNIFMIBSJAT-NXEZZACHSA-N 247.302 0.021 30 20 BCED C#CCN1CC[C@@](C)(NC(=O)c2ccnn2C)C1 1046182328 GCNZRGLJLZAQGT-CYBMUJFWSA-N 246.314 0.248 30 20 BCED C#CCN1CCC[C@@H](NC(=O)C(F)F)CC1 1052135053 DLBWRBBXSHXKGA-SECBINFHSA-N 230.258 0.855 30 20 BCED CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)cn1 1062424697 FJLBAWOFOXEIAM-RYUDHWBXSA-N 242.282 0.763 30 20 BCED CC(=O)NC1CC(CNc2nccnc2C#N)C1 1067823470 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C=CCCNCCNC(=O)Cc1cnn(C)c1 1124626925 SYQMZCWYNHGTTB-UHFFFAOYSA-N 236.319 0.245 30 20 BCED C#CCCNCCNC(=O)c1[nH]ccc1C 1126517852 CNHGFLFJTPPMHS-UHFFFAOYSA-N 219.288 0.666 30 20 BCED CC#CCNCCNC(=O)[C@H](C)C(F)(F)F 1132477784 QFPUDBRSBAZGKJ-QMMMGPOBSA-N 236.237 0.914 30 20 BCED CCCn1cc(C(=O)NCCNCC#N)cn1 1134526082 CLGCGIDZTMZMDZ-UHFFFAOYSA-N 235.291 0.136 30 20 BCED N#CC[C@]1(O)CCN(C(=O)CCc2ncc[nH]2)C1 1143191619 TTZPFNUTBCYTAG-LBPRGKRZSA-N 248.286 0.219 30 20 BCED C=CCNCCCNC(=O)C[C@H]1COC(=O)C1 1156571053 LNWQRZCDUHQZFG-SNVBAGLBSA-N 240.303 0.222 30 20 BCED Cc1nc(C(=O)NCCCNCC#N)cs1 1164516411 CNRJSFAVCPILMZ-UHFFFAOYSA-N 238.316 0.685 30 20 BCED C=CCCC(=O)N1C[C@@H](NCCCO)[C@H](C)C1 1214305805 MZPWOTYHJVHSKO-VXGBXAGGSA-N 240.347 0.772 30 20 BCED COc1ccc(CNC(=O)[C@H](C)N)cc1C#N 1262044813 XSIDIUHCKUTYCU-QMMMGPOBSA-N 233.271 0.530 30 20 BCED C=CCCC[C@@H](N)C(=O)N(CC)CCN 1263165544 GFAZQAGLRCZFPL-SNVBAGLBSA-N 213.325 0.477 30 20 BCED C=CCCO[C@H](C)C(=O)OCc1nn[nH]n1 1263528484 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233.271 0.286 30 20 BCED C=C(CNC(=O)/C=C\C)CNC(=O)/C=C\C 856338867 KIOQJYCLHBLAPG-PEPZGXQESA-N 222.288 0.927 30 20 BCED C#CCCN(CCOC)C(=O)CC1(O)CCC1 856391474 VCTUPPSNWJPXRH-UHFFFAOYSA-N 239.315 0.790 30 20 BCED C#CCN(C)C(=O)c1cnn(CCOCC)c1 857190196 FUUMWHSPTIOYQL-UHFFFAOYSA-N 235.287 0.625 30 20 BCED C#Cc1cncc(C(=O)NO[C@@H](CO)C(C)C)c1 857286276 WUWRRGMPWOCWAR-LBPRGKRZSA-N 248.282 0.741 30 20 BCED Cc1ccnn1CC(=O)N[C@H](C#N)C(C)C 860897720 TXCVWACXHMPNJA-SNVBAGLBSA-N 220.276 0.856 30 20 BCED C#CCCCCC(=O)NC[C@H](O)CC(=O)OC 863013531 BCTLZKVIWTVFCY-SNVBAGLBSA-N 241.287 0.220 30 20 BCED C#CC[C@@H](CCOC)NC(=O)[C@H](O)C(C)(C)C 863784585 NXKIAPSFUGQKRY-QWRGUYRKSA-N 241.331 0.938 30 20 BCED C=CC[C@@H](C)NC(=O)/C=C\CN1CCOCC1 865926730 YLIJQXJIASEKCY-TXNVCOODSA-N 238.331 0.956 30 20 BCED C#C[C@H](NS(=O)(=O)c1conc1C)C(C)C 867223955 AIVTVRBSUIKOMY-VIFPVBQESA-N 242.300 0.919 30 20 BCED CC#CCCOC(=O)[C@H](CC)NC(C)=O 869677019 HXZNUTQAXFEIQM-JTQLQIEISA-N 211.261 0.858 30 20 BCED CC(=NNC(=N)N)c1cc2n(n1)CCC2 872341253 JUUOBHGQJOWOGT-UHFFFAOYSA-N 206.253 0.036 30 20 BCED C=CCOCCCC(=O)N(C)C[C@@H](C)N 877101090 DVNVFPDIDVKJJL-SNVBAGLBSA-N 214.309 0.775 30 20 BCED C#CCN1CCC(C(N)=O)(N2CCCCC2)CC1 880251921 UZVRQBLPZMTMSH-UHFFFAOYSA-N 249.358 0.425 30 20 BCED C=C[C@@](C)(O)c1cn(CCC2(O)CCC2)nn1 881384433 WBUGKPJNQVBZTD-LLVKDONJSA-N 237.303 0.977 30 20 BCED Cc1ccc(N2C[C@@H](CO)O[C@H](C)C2)c(C#N)n1 882240440 DTUZEIXTCYGBFZ-MNOVXSKESA-N 247.298 0.848 30 20 BCED N#Cc1cc(=N[C@@H](CO)C[C@@H]2CCCO2)cc[nH]1 884615139 DGCWLTYZRAWPCZ-OLZOCXBDSA-N 247.298 0.717 30 20 BCED CCc1cc(C(=O)N2CC[C@@](O)(CC#N)C2)no1 898086449 OHOZYGRAHMLHEB-LBPRGKRZSA-N 249.270 0.728 30 20 BCED C#CCSCC(=O)N(CC(N)=O)C(C)C 899956568 CJEGYOMYBUDFSK-UHFFFAOYSA-N 228.317 0.075 30 20 BCED C=C(Cl)Cn1cc(CNC(=O)NC)nn1 900579459 FTKVIJYSBAPHPB-UHFFFAOYSA-N 229.671 0.460 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCC(=O)O 901456265 DRAYJXMDOCSELX-MWLCHTKSSA-N 241.287 0.901 30 20 BCED C=CCNC(=O)N[C@H]1CCCN(CC)C1=O 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212.337 0.983 30 20 BCED C#CCOCCOC(=O)c1cn(C)nc1OC 923669767 KJLMELPLLNQJMH-UHFFFAOYSA-N 238.243 0.235 30 20 BCED CC[C@H]1CO[C@@H](C)CN1C(=O)NCC#CCO 923789124 QLMCIYDDANORDA-QWRGUYRKSA-N 240.303 0.191 30 20 BCED CCN(C[C@@H]1CCOC1)C[C@H](O)CC#N 929286884 JKELWUFZGYKQIT-WDEREUQCSA-N 212.293 0.619 30 20 BCED C#CC(C)(C)NC(=O)c1cc(OC)ncn1 932755428 UDYWZZIIZDOBOH-UHFFFAOYSA-N 219.244 0.627 30 20 BCED C#CC1(O)CN([C@H](C)c2nc(CC)no2)C1 934443857 FKPDIOZVVSCWGV-MRVPVSSYSA-N 221.260 0.373 30 20 BCED C#CCN1CC[C@H](NC(=O)c2cnon2)[C@H](C)C1 943715724 ABTUPWBYYDRSNK-ZJUUUORDSA-N 248.286 0.143 30 20 BCED N#CCN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@H]2C1 962005353 VYPFNLHBVLHBHT-OBPIAQAESA-N 245.326 0.602 30 20 BCED C=CCN[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 970345898 KXMVPEJUTLQLMV-DGCLKSJQSA-N 238.331 0.790 30 20 BCED C=CCN1C[C@H]2C(CNC(=O)c3ncc[nH]3)[C@@H]2C1 978134837 URSQTZKECKMJRQ-QWRGUYRKSA-N 246.314 0.503 30 20 BCED C#CCN[C@H]1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 981188630 XDKTUGCXTZLWBO-VHSXEESVSA-N 247.302 0.069 30 20 BCED C#CCN1CCCN(C(=O)[C@H](F)CC)CC1 981763439 BNOWYXWLCMATBG-LLVKDONJSA-N 226.295 0.902 30 20 BCED C[C@@H]1C[C@H](NCC#N)CN1C(=O)CC1CC1 987752805 INKOOJZCHBEOIT-KOLCDFICSA-N 221.304 0.889 30 20 BCED C=CCN[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 998747384 RUUIZMKFKHVKIP-WDEREUQCSA-N 221.304 0.913 30 20 BCED C#CCCN1CCC[C@H](NC(=O)c2cn[nH]c2)C1 1006821542 OESZYTOQOBYBLI-LBPRGKRZSA-N 246.314 0.627 30 20 BCED CC#CCN1CC[C@H](NC(=O)CN2CCCC2)C1 1016260774 HLGNNJUZCYGJOM-ZDUSSCGKSA-N 249.358 0.296 30 20 BCED C=CCN[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 1020096731 GCUQQTXFRYGBBS-MGCOHNPYSA-N 247.298 0.824 30 20 BCED N#CCN[C@H]1C[C@@H](NC(=O)c2ccoc2)C1 1021833062 NRRCMAXMBSDZRX-AOOOYVTPSA-N 219.244 0.654 30 20 BCED C#CCN[C@H]1C[C@@H](NC(=O)Cn2cc(C)cn2)C1 1021872807 WEBPDCPJJIKZEC-TXEJJXNPSA-N 246.314 0.062 30 20 BCED C#CCN(C)[C@H]1CCCN(C(=O)c2cocn2)C1 1027326923 FFCQJDIOAZRFTA-NSHDSACASA-N 247.298 0.844 30 20 BCED C#CCN1CC(NC(=O)C2(C)CCOCC2)C1 1031106711 RZWSDRRCYGVVGJ-UHFFFAOYSA-N 236.315 0.237 30 20 BCED C#CCN1CC(CNC(=O)c2cc(C)sn2)C1 1031632304 RKVACIPNDKTDEE-UHFFFAOYSA-N 249.339 0.746 30 20 BCED CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N 1032318325 MHCJSDTXAGHLDK-VWYCJHECSA-N 221.304 0.840 30 20 BCED C#CCN1CC[C@@H]1CNC(=O)c1cc(C)on1 1038024801 HONQXKIGFBRIFI-SNVBAGLBSA-N 233.271 0.420 30 20 BCED CC#CCN1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 1038123454 XQDAABPNIHJDRG-NSHDSACASA-N 246.314 0.546 30 20 BCED C#CCN1[C@H]2CCC[C@H]1CN(C(=O)COC)C2 1039492641 SXNJIPGCEFWIFH-RYUDHWBXSA-N 236.315 0.331 30 20 BCED C#CCN1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1 1048635909 LRLIEZDSHZYCSR-BETUJISGSA-N 232.327 0.810 30 20 BCED C=C(C)CN1CCC[C@H](NC(=O)C(N)=O)CC1 1052673015 WYHZVKXMVYKNCV-JTQLQIEISA-N 239.319 0.019 30 20 BCED C#CCN1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 1074137796 XKGXUJFFZNWXSA-STQMWFEESA-N 248.326 0.331 30 20 BCED C#CCN1CC[C@H](NC(=O)c2cn(C)cn2)[C@H]1C 1088522111 WCWUNPZRHAIYMD-MNOVXSKESA-N 246.314 0.246 30 20 BCED C#CCNC1CC(CNC(=O)[C@@]23COC[C@@H]2C3)C1 1091038142 DRBNMQVKWGRWGS-KMMRNIFNSA-N 248.326 0.141 30 20 BCED CC(=O)N[C@H](C)CN(C)c1ccc(C#N)nc1 1108794765 HFKPKOXBCGQQIG-SECBINFHSA-N 232.287 0.914 30 20 BCED CC(C)[C@@H](C#N)NC(=O)c1cc[n+]([O-])cc1 1116650350 SSTVQRJADGGTGC-SNVBAGLBSA-N 219.244 0.598 30 20 BCED C[C@@H](CNC(=O)C1(C#N)CCC1)c1nncn1C 1116903081 WDAXZUUKVKBECL-VIFPVBQESA-N 247.302 0.729 30 20 BCED C1CC(=NOCc2nnc3n2CCOC3)C1 1116903734 QXHPTRSQGCFSTH-UHFFFAOYSA-N 222.248 0.865 30 20 BCED CC#CCCNC(=O)C(=O)NC[C@H](C)SC 1117518754 SQCJZIFJDFCLRY-VIFPVBQESA-N 242.344 0.384 30 20 BCED CC[C@@H]1C[C@H]1NC(=O)C(=O)NCCCC#N 1117690077 CPLWWGPIMDGXLQ-RKDXNWHRSA-N 223.276 0.321 30 20 BCED C=CCNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1117698042 VLFOACCZAUESAU-SECBINFHSA-N 246.332 0.249 30 20 BCED C=CCCO[C@@H](C)C(=O)OCc1nc[nH]n1 1118386919 HFGYIWJEHCTMPV-QMMMGPOBSA-N 225.248 0.829 30 20 BCED CN1CCN(CCCSCC#N)[C@H](CO)C1 1119258548 RDMHPTLPXDZTMB-NSHDSACASA-N 243.376 0.242 30 20 BCED CC#CCCNC(=O)C(=O)NC[C@@H]1C=CCC1 1119569830 BMDSLHLCRMEMME-LLVKDONJSA-N 234.299 0.598 30 20 BCED C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 1120295478 BDEBTVDTJDINIB-GHMZBOCLSA-N 249.314 0.617 30 20 BCED C=CCOCCNCCNC(=O)CC1CC1 1122546636 RXZJWEZLMXLZPO-UHFFFAOYSA-N 226.320 0.695 30 20 BCED C=C(C)CCNCCNC(=O)CSCC#N 1123792124 JDXJSVIBNYMXII-UHFFFAOYSA-N 241.360 0.915 30 20 BCED CO[C@H](C(=O)NCCNCC#N)C1CCC1 1131956505 BABFVSCATACDPD-JTQLQIEISA-N 225.292 0.031 30 20 BCED C=CCNCCNC(=O)Cc1ncccc1OC 1132906867 WUCCAYQAEKYEDD-UHFFFAOYSA-N 249.314 0.525 30 20 BCED CC#CCNCCCNC(=O)c1cccn1C 1154701506 DCLZCZULDOBVSN-UHFFFAOYSA-N 233.315 0.758 30 20 BCED C[C@@H](C(=O)NCCCNCC#N)n1cccc1 1156657504 SJSKZMYJKZXFSW-NSHDSACASA-N 234.303 0.669 30 20 BCED COCC#CC(=O)NCCOC(F)(F)F 1187133450 LARXVDFQZIXMRX-UHFFFAOYSA-N 225.166 0.289 30 20 BCED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)CC#C)C1 1190095230 RSCCRUVZZYRPFL-CHWSQXEVSA-N 248.326 0.191 30 20 BCED CC#CCNC1CCN(C(=O)c2ccon2)CC1 1199503882 JZTXHMDEMWZHEW-UHFFFAOYSA-N 247.298 0.892 30 20 BCED CC#CCN[C@@H]1CCCN(C(=O)CSC)C1 1207176971 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BCED CC[C@H](C#N)C(=O)NCCOCCN(C)C 233998250 XEVIVTBLLDMJJY-SNVBAGLBSA-N 227.308 0.231 30 20 BCED C=CCCS(=O)(=O)NCC[C@@H]1CCCNC1 236654665 WWVBNJQKORFRSG-NSHDSACASA-N 246.376 0.872 30 20 BCED C=CCOCC(=O)N(C)[C@H](C)C(=O)O 261527529 CGJRXVYAUDPMKR-SSDOTTSWSA-N 201.222 0.121 30 20 BCED CC[C@@H](C)N/C(N)=N/Cc1cc(C)nn1C 261753119 KGCGTKABEXKYAB-MRVPVSSYSA-N 223.324 0.931 30 20 BCED COc1ccncc1C/N=C(/N)NC1CC1 262660795 XWERWOAJLUFHSB-UHFFFAOYSA-N 220.276 0.657 30 20 BCED COC[C@@H](C)N/C(N)=N/Cc1ccn(C)c1 267296741 KHWCUQBEUYWCCA-SECBINFHSA-N 224.308 0.464 30 20 BCED CN(C)C(=O)CCNC(=O)c1ccc(C#N)[nH]1 269712346 NZMGZCONUKMXKU-UHFFFAOYSA-N 234.259 0.094 30 20 BCED C=CCCS(=O)(=O)N1CCSC[C@@H]1C#N 271674465 IRPMSMSLPHEQKG-VIFPVBQESA-N 246.357 0.833 30 20 BCED C#CCN(CC)C(=O)N[C@H](C)C[S@@](C)=O 273522582 QSBXFZUVVQQEOV-RFAUZJTJSA-N 230.333 0.418 30 20 BCED C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC(=O)NC1 274365606 UBBZGLCSGMGDTR-ZJUUUORDSA-N 224.304 0.984 30 20 BCED C#C[C@@H](C)NC(=O)c1ccnc(N(C)C)c1 274653320 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247.254 0.888 30 20 BCED CC(C)C[C@@H](C(=O)O)N(C)C(=O)CC#N 1591423291 YTGVEKNGWDNKFP-QMMMGPOBSA-N 212.249 0.858 30 20 BCED C[C@H](CC#N)C(=O)N1C[C@@H](F)C[C@H]1C(=O)O 1592211392 LKTDOUQHQZVVKR-CSMHCCOUSA-N 228.223 0.560 30 20 BCED N#CCC1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 1601064524 ZXESQSXLBWYACV-VHSXEESVSA-N 236.271 0.859 30 20 BCED C#C[C@H](CC)NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1602672074 ZUIQLZOXBBAJAK-HRDYMLBCSA-N 209.245 0.625 30 20 BCED C#CCO[C@H](C)C(=O)OC1CC(C(=O)O)C1 1602726591 SGXXFNSMFJPPAU-AFPNSQJFSA-N 226.228 0.431 30 20 BCED C=C(C)C(C)(C)C(=O)NC[C@H](O)C(=O)O 1602744700 KZYVKDWOKKLGMU-ZETCQYMHSA-N 215.249 0.150 30 20 BCED C[Si](C)(C)Cn1cnc(C#N)c1-c1nn[nH]n1 1605450818 KARFFFRQGVODHL-UHFFFAOYSA-N 247.338 0.812 30 20 BCED Cn1nc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1C(=O)O 1608150782 ISCHEHJNMJLDRT-PHDIDXHHSA-N 234.215 0.216 30 20 BCED N#Cc1cc(C(=O)N2CCC[C@H]2CC(=O)O)c[nH]1 1608194586 ZOOLSCPLCSQMHT-JTQLQIEISA-N 247.254 0.966 30 20 BCED C=C(CN(C)C)C(=O)N(CCC(=O)O)C(C)C 1609259546 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C[C@@H]1CO[C@@H](CO)CN1CCCSCC#N 153289598 TZUPARDDGAKWIO-GHMZBOCLSA-N 244.360 0.715 30 20 BCED C=C(C)CNC(=O)NCCC(=O)NCCC 156830467 KNAYJOUSTALVGQ-UHFFFAOYSA-N 227.308 0.778 30 20 BCED C[C@]1(NS(=O)(=O)CCCC#N)CCOC1 158470940 FJEHIFKBXWMMHB-VIFPVBQESA-N 232.305 0.389 30 20 BCED CC[C@H](C#N)C(=O)N1CCC[C@@](C)(O)C1 163164412 UVLBZOFHGNMUHU-MWLCHTKSSA-N 210.277 0.910 30 20 BCED C=CCCNC(=O)N(CC=C)CC(=O)O 168908994 KUKISJQHFIEYIP-UHFFFAOYSA-N 212.249 0.845 30 20 BCED COCCO/N=C(\N)[C@@H](C)OCC(C)C 174219752 YVMMMECNIPBVSX-SECBINFHSA-N 218.297 0.983 30 20 BCED CO[C@@H](C)/C(N)=N/OCC(=O)NC1CCCC1 178291439 NNBLZZJSTRAQHA-QMMMGPOBSA-N 243.307 0.369 30 20 BCED C=CCNC(=O)CNC(=O)C1(CC)CCC1 181673765 KUUWXGPAHRPLMJ-UHFFFAOYSA-N 224.304 0.985 30 20 BCED C[C@H](C#N)CNC(=O)NCC(=O)N1CCCC1 182398063 KXGWUIGDAKOODZ-SECBINFHSA-N 238.291 0.068 30 20 BCED CNC(=O)C1CN(C[C@H](C#N)CCC#N)C1 184784938 WFTONWMASVJNAJ-VIFPVBQESA-N 220.276 0.108 30 20 BCED C[C@H](C#N)CNC(=O)N1CC[C@H](CN(C)C)C1 187815577 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0.182 30 20 BCED N#Cc1ccc(C=NNCC(=O)O)c(F)c1 382007925 BVLMPHYXZNLJOV-UHFFFAOYSA-N 221.191 0.705 30 20 BCED N#Cc1nc(=N[C@@H]2CC23CCOCC3)cc[nH]1 387322866 RDEXGOCUDKXMLB-SECBINFHSA-N 230.271 0.751 30 20 BCED CCC[C@@H](C#N)NC(=O)CNCC(F)(F)F 390497080 SIUCXOSTVCXRIM-ZETCQYMHSA-N 237.225 0.947 30 20 BCED CC(C)(O)C(C)(C)CN=c1nc[nH]cc1C#N 393476507 GYNCHZKFFOFSOT-UHFFFAOYSA-N 234.303 0.979 30 20 BCED C#C[C@](C)(CC)NC[C@H](O)COCCOC 395167957 XYNBEHHLBTUYAX-NWDGAFQWSA-N 229.320 0.402 30 20 BCED C=CCC[C@H](CO)NC(=O)c1ccnc(C)n1 396428151 CLANTYJPGAPEFF-SNVBAGLBSA-N 235.287 0.842 30 20 BCED CN[C@H]1CCN(C[C@H](O)c2cccc(C#N)c2)C1 402393328 UWJLFDNAWCYKOY-KBPBESRZSA-N 245.326 0.885 30 20 BCED Cn1cc(CN2CCn3cnnc3C2)cc1C#N 408349651 RSGMQUADLSRJQP-UHFFFAOYSA-N 242.286 0.504 30 20 BCED N#CCCNC(=O)N[C@@H](CN)C1CCCC1 418093219 GRFBXMMFWSPRHD-JTQLQIEISA-N 224.308 0.717 30 20 BCED C=CCn1cc(CNc2cc(OC)ncn2)nn1 425262245 GTUIRLHQDNXFLD-UHFFFAOYSA-N 246.274 0.875 30 20 BCED CCc1[nH]nc(C(=O)NCCC#N)c1[N+](=O)[O-] 427606010 GLEDGCIHOXZGBU-UHFFFAOYSA-N 237.219 0.524 30 20 BCED C=C[C@@H]1OCCC[C@H]1NCC(=O)OCC 449548872 RMCLVXOXTXVLFV-ZJUUUORDSA-N 213.277 0.873 30 20 BCED C=CCCCS(=O)(=O)N(C)C1CC(O)C1 489618955 GDYIOMXFPOCMOX-UHFFFAOYSA-N 233.333 0.738 30 20 BCED CC[C@H](O)CNC(=O)NCC(C)(C)C#N 490009877 YYLBJTWTQPFEAW-QMMMGPOBSA-N 213.281 0.606 30 20 BCED C#CCNC(=O)Nc1nc2nc(C)cc(C)n2n1 490594653 USFUDJYCIIUVAH-UHFFFAOYSA-N 244.258 0.496 30 20 BCED C#CC(C)(C)NC(=O)[C@H](C)N1CCN(C)CC1 490950831 SVDWHUMQVVZYFW-NSHDSACASA-N 237.347 0.150 30 20 BCED C#C[C@H](NC(=O)c1ccoc1CC(N)=O)C(C)C 491503683 DJSMGNKIFSWVMT-JTQLQIEISA-N 248.282 0.695 30 20 BCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C(C)C 491659304 LBTWOLVNVGCLOZ-SECBINFHSA-N 249.270 0.696 30 20 BCED C#CCNC(=O)N1[C@H]2CC[C@H]1CC(=O)C2 491678433 BIMJAADAYAHRHP-IUCAKERBSA-N 206.245 0.525 30 20 BCED C#C[C@H](C)N(C)CC(=O)NC1CCOCC1 491748498 FCVZSJNEWLWUJR-JTQLQIEISA-N 224.304 0.235 30 20 BCED C#CCNC(=O)CCN(CC)C[C@@H]1CCCO1 491775174 WTYHGRBJQAUPQO-LBPRGKRZSA-N 238.331 0.627 30 20 BCED C#C[C@@H](CC)NC(=O)COC[C@H]1CCCO1 491793372 KQAZQJNKPRKOLP-WDEREUQCSA-N 225.288 0.710 30 20 BCED N#CCCCC(=O)OC[C@H]1CNC(=O)O1 496408309 YJWUMJYBEJFLGW-SSDOTTSWSA-N 212.205 0.332 30 20 BCED CN(C)C(=O)O[C@H]1CCN(CCC#N)C1 497048575 VHZFCYPWHKXXFS-VIFPVBQESA-N 211.265 0.673 30 20 BCED C=CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1NC2 528055655 VNNDDQFLLXPKFM-GMTAPVOTSA-N 244.360 0.622 30 20 BCED Cn1ncc(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)c1C#N 530311042 SXGFPTJTIDDZNQ-VROVMSAKSA-N 230.271 0.820 30 20 BCED CC(C)[C@@H](C#N)NC(=O)CN1CCCNC1=O 546011577 HMNGRFVWWLNWFA-SECBINFHSA-N 238.291 0.066 30 20 BCED CC[C@@](C)(C#N)NC(=O)CCCC(=O)NC 548362059 BPXVYHRQWGOJEO-NSHDSACASA-N 225.292 0.711 30 20 BCED N#CCCN(CC1CC1)S(=O)(=O)N1CCC1 556812014 KAFCSKRXWNKBTP-UHFFFAOYSA-N 243.332 0.563 30 20 BCED CN1CC[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 563425336 OEYCDIFWUQOKIB-ZJUUUORDSA-N 229.287 0.489 30 20 BCED N#Cc1nc(NC(=O)[C@@H]2CCC(=O)C2)[nH]c1C#N 565035070 QCHQNGKTFVOTOP-ZCFIWIBFSA-N 243.226 0.461 30 20 BCED CC#CCCNC(=O)[C@@H]1CCc2nnnn2CC1 572125635 CWTVKIPEDVDDQE-SNVBAGLBSA-N 247.302 0.155 30 20 BCED C[C@H](CO[C@H]1CCOC1)N=c1cc[nH]c(C#N)n1 572135161 PYEAIANIKOATCH-ZJUUUORDSA-N 248.286 0.376 30 20 BCED N#CC1(CNC(=O)Nc2cncnc2)CC1 574588306 DNUCKTOQQYEQEY-UHFFFAOYSA-N 217.232 0.902 30 20 BCED CCCN(CC(=O)NC)c1ccc(C#N)c(N)n1 576768108 WBCSGSKMUYHGPZ-UHFFFAOYSA-N 247.302 0.498 30 20 BCED N#CCCCC(=O)N1CCn2nccc21 577555290 MKPJHSWINDZYHP-UHFFFAOYSA-N 204.233 0.924 30 20 BCED C=CCNC(=O)NC(=O)CN[C@H]1CCC1(C)C 583879745 ATODAEIRRYVEGU-VIFPVBQESA-N 239.319 0.776 30 20 BCED COc1cc(C(=O)N2CC(C#N)C2)ccc1O 590491910 MIQQAPYPKYSHRQ-UHFFFAOYSA-N 232.239 0.996 30 20 BCED Cc1cncc(CCN2CC[C@@](O)(CC#N)C2)n1 593034021 BJYWGRJVXQYJRR-ZDUSSCGKSA-N 246.314 0.678 30 20 BCED N#Cc1cccc(N2CC(N3CC[C@@H](O)C3)C2)n1 593503374 IWRZCYUEHUXNFQ-GFCCVEGCSA-N 244.298 0.208 30 20 BCED CC(C)(C#N)CNC(=O)[C@H]1CC[C@@H]1C(N)=O 594341651 PMPFPAPHXNBZFI-YUMQZZPRSA-N 223.276 0.164 30 20 BCED N#CC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CCC1 594372422 CASBMNUBQSNRBT-BDAKNGLRSA-N 235.287 0.308 30 20 BCED C[C@H](C#N)N(C1CC1)S(=O)(=O)[C@H]1CCOC1 594836565 HNVNXMYOBCURHQ-SCZZXKLOSA-N 244.316 0.482 30 20 BCED C=CCCNC(=O)NCCOCC(=O)OCC 595646297 KSCXURKKZDIKLD-UHFFFAOYSA-N 244.291 0.441 30 20 BCED CN(Cc1ccc(C#N)cn1)C[C@H]1COCCO1 595736980 ONTOJBPJSAYMAC-ZDUSSCGKSA-N 247.298 0.800 30 20 BCED CCN(C(=O)[C@H]1COCCN1C)[C@H](C)C#N 596009286 NGXOMRLMERBEQF-NXEZZACHSA-N 225.292 0.078 30 20 BCED CN(Cc1cnccn1)c1c(C#N)cnn1C 596129737 KKBJMVQDHUEKTL-UHFFFAOYSA-N 228.259 0.718 30 20 BCED N#CCCCNC(=O)c1cn(C2CC2)nn1 599751030 QUFKKPMJOFXKGD-UHFFFAOYSA-N 219.248 0.647 30 20 BCED N#Cc1cccc(N[C@@H]2COCC[C@H]2O)n1 601252543 LQZTVPOQYFNAEC-NXEZZACHSA-N 219.244 0.515 30 20 BCED CCO[C@@H]1C[C@@H]1C(=O)Nc1n[nH]cc1C#N 601638978 FQWDDANMXPUSPY-JGVFFNPUSA-N 220.232 0.645 30 20 BCED C[C@@H](C#N)N(C)C(=O)Cc1ccc(C(N)=O)cc1 602422940 PQNQVQBLCMIFBU-VIFPVBQESA-N 245.282 0.698 30 20 BCED CC(=O)N1CCN(Cc2cccc(C#N)n2)CC1 602428074 DWASMGWHJMSULH-UHFFFAOYSA-N 244.298 0.617 30 20 BCED CCCN(CC(=O)NC)Cc1cccc(C#N)n1 602450641 RICRAVVZTPOBCS-UHFFFAOYSA-N 246.314 0.911 30 20 BCED C=C[C@H](C(=O)OC)n1cc(CC[C@H](C)O)nn1 603238842 ZSWBPOKMXZDILK-WCBMZHEXSA-N 239.275 0.492 30 20 BCED Cc1noc(C)c1Cn1cc(C#N)nn1 603335276 KFPYCJWMWFAILO-UHFFFAOYSA-N 203.205 0.803 30 20 BCED Cn1c(C(=O)NC2(C#N)CC2)ccc1[N+](=O)[O-] 609989928 ICGNYIWNANVHAD-UHFFFAOYSA-N 234.215 0.719 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@](C)(O)C1CC1 611694723 URKDZHXENCRPSQ-MNOVXSKESA-N 213.277 0.201 30 20 BCED C[C@@]1(C#N)CCCN(C(=O)C(=O)NC2CC2)C1 612036711 MBLQOMRQOFIXPE-LBPRGKRZSA-N 235.287 0.417 30 20 BCED C=C[C@@](C)(O)C(=O)NCCc1cccc(O)c1 612623385 PTZZCEZHEHMTHE-CYBMUJFWSA-N 235.283 0.988 30 20 BCED C=C[C@](C)(O)C(=O)N1C[C@H](C)N(C)C[C@@H]1C 613192465 XEGZHDFGQBYYRI-NHCYSSNCSA-N 226.320 0.474 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](OC)C1 613814415 BGHFDMSZIXKXMR-MNOVXSKESA-N 229.276 0.145 30 20 BCED Cc1nnc(CN2CC[C@](F)(C#N)C2)n1C 615637214 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233.227 0.434 30 20 BCED C#Cc1cncc(C(=O)N2C[C@H](CC)[C@@H](O)C2)c1 807171775 YWTNJKKZDOVTRW-AAEUAGOBSA-N 244.294 0.906 30 20 BCED C#C[C@@H](C)NC(=O)NCC1CCN(C)CC1 812031566 ZWIMPRPZEMXYDM-SNVBAGLBSA-N 223.320 0.649 30 20 BCED N#CCC(=O)Nc1ccc(C2(O)COC2)cc1 813771469 XWCMZNKEFFAGAC-UHFFFAOYSA-N 232.239 0.757 30 20 BCED C=C[C@H](O)C(=O)OCc1ncc(C)cn1 814540775 DFWSGLGIYJXAJK-QMMMGPOBSA-N 208.217 0.375 30 20 BCED COc1ccnc(NN=Cc2n[nH]cc2C)n1 814799059 SEDFDUPANJQAOD-UHFFFAOYSA-N 232.247 0.963 30 20 BCED Cn1ccc(C=NOC[C@@H]2CCOC2)n1 814912562 XMRMGRJOYALCAO-SECBINFHSA-N 209.249 0.807 30 20 BCED C[C@@H](O)CNN=Cc1cnc2ccccc2n1 814965326 KNXQURWELVLOLJ-SECBINFHSA-N 230.271 0.934 30 20 BCED N#CCCOCCOC(=O)c1n[nH]c2c1CCC2 815193629 TZZQWBMAFHLFBI-UHFFFAOYSA-N 249.270 0.985 30 20 BCED C#CC[C@H](CO)NC(=O)[C@H](C)OCCCC 816674254 VOKLSCNBAGFRGI-WDEREUQCSA-N 227.304 0.692 30 20 BCED C#Cc1ccc(C(=O)N(CC)[C@@H](C)CO)nc1 818630596 KFPFKRSVJSNWAR-JTQLQIEISA-N 232.283 0.906 30 20 BCED 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C[C@H]1CCN(CN2CCSC[C@@H]2C#N)C1=O 840039771 JWUXINVRROFUPX-UWVGGRQHSA-N 239.344 0.753 30 20 BCED C#CCNC(=S)N1CCO[C@H](CF)C1 840852051 HRXDSQHTACNKSE-MRVPVSSYSA-N 216.281 0.164 30 20 BCED CCN(CCO)N=C(C)C[C@H]1CCCC(=O)N1 842539208 SAGAYKVYVXMJJS-LLVKDONJSA-N 241.335 0.735 30 20 BCED C#CC1CCN(C(=O)c2nc(C)nn2C)CC1 843311836 PWOCSBNPVYGEQW-UHFFFAOYSA-N 232.287 0.609 30 20 BCED Cc1cc(CN2CC[C@@](O)(CC#N)C2)n(C)n1 843425407 NPPFXFGVSJKXLE-LBPRGKRZSA-N 234.303 0.579 30 20 BCED C#CCN(CC#CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 845440363 FTKVTQYVDMDTMN-UPJWGTAASA-N 246.310 0.974 30 20 BCED C#C[C@H](C)N(C)C(=O)[C@@H]1CCCS(=O)(=O)C1 846016663 ZHAVRICYSATSBH-VHSXEESVSA-N 243.328 0.291 30 20 BCED C=C(C)CONC(=O)CCCC(=O)OC 846663201 PSQBERLQDDNLDA-UHFFFAOYSA-N 215.249 0.954 30 20 BCED C/N=C(/NC[C@@H]1CC[C@H](C)O1)NC1CC1 849039534 DNNCWCQMCJFRMO-WPRPVWTQSA-N 211.309 0.881 30 20 BCED C#CCOCCN1CCNC(=O)[C@H]1C(C)C 851764573 KOCARUOHWYCJMQ-LLVKDONJSA-N 224.304 0.093 30 20 BCED 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NC(=O)c1cccc(C=NNc2nc[nH]n2)c1 807997084 DRCCMRWHCZJFHH-UHFFFAOYSA-N 230.231 0.350 30 20 BCED CCN1CCCC[C@@H]1CNC(=O)C=NOC 809677568 NOGCQLWOQRGECB-SNVBAGLBSA-N 227.308 0.609 30 20 BCED C#CCONC(=O)c1cnc2[nH]cnc2c1 812781433 UHFXOBYNNKZRJC-UHFFFAOYSA-N 216.200 0.253 30 20 BCED C=C[C@@H](O)C(=O)OCc1c(C)nn(C)c1Cl 814543914 ITTQTWRNPYCAIN-MRVPVSSYSA-N 244.678 0.972 30 20 BCED C=C[C@@H](O)C(=O)O[C@@H](CCCC)C(=O)OC 814546850 MHUYOFUVGHWWMS-BDAKNGLRSA-N 230.260 0.808 30 20 BCED CCc1nocc1C=NNS(C)(=O)=O 814873117 NXCIIXDEZDDXEZ-UHFFFAOYSA-N 217.250 0.120 30 20 BCED Cn1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)n1 814885758 JERCJMYRTMWQDO-PHIMTYICSA-N 246.318 0.614 30 20 BCED CCNC(=O)CCOC(=O)c1ccc(C#N)[nH]1 816121074 UIABUXCJBOZCSN-UHFFFAOYSA-N 235.243 0.569 30 20 BCED C[C@@H](C(=O)O)N(C)C(=O)c1cc(C#N)c[nH]1 817757405 YXYKCJPZJAVLOZ-LURJTMIESA-N 221.216 0.431 30 20 BCED CN(C)c1noc([C@@H](N)CCCC#N)n1 818379432 ATYWZJLPDBRIND-ZETCQYMHSA-N 209.253 0.829 30 20 BCED N#CCc1ccccc1CC(=O)NCCC(=O)O 821324506 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30 20 BCED C#CC[C@H](NC(=O)[C@H](CCC)OC)C(=O)OC 837948380 SDFRNJBRDMRYPF-UWVGGRQHSA-N 241.287 0.483 30 20 BCED CCO[C@@H]1CC(=NN(C)C[C@H](C)O)[C@H]1OC 841648798 XJSZXPTWAARZHY-JMJZKYOTSA-N 230.308 0.479 30 20 BCED C=C[C@@H](C)ONC(=O)NC[C@@H](O)C(F)(F)F 844284187 AHKOOMWPYRHLBC-PHDIDXHHSA-N 242.197 0.715 30 20 BCED C#CCOCCOC(=O)/C=C(\C)COC 845489779 HMPBZPALJVEJIC-CSKARUKUSA-N 212.245 0.772 30 20 BCED C=C[C@@H](C)ONC(=O)N[C@H](C)COCCOC 845630450 JPZDTPMXXKQNGR-NXEZZACHSA-N 246.307 0.843 30 20 BCED C=CC[C@H](CO)CNC(=O)/C=C(\C)COC 845913385 CUDOOPWDJMSQOA-RUYJGKKWSA-N 227.304 0.880 30 20 BCED C=C(C)CONC(=O)[C@H](OC)c1cnn(C)c1 846533235 DMXIXCBRXMMBNH-SNVBAGLBSA-N 239.275 0.732 30 20 BCED C=C[C@@H](C)ONC(=O)Cc1cncn1C 846551273 ZBHZJTWWTANAKU-MRVPVSSYSA-N 209.249 0.585 30 20 BCED C=C[C@@H](C)ONC(=O)c1ncc(OC)cn1 846553599 COFBUUPMCCUJLH-SSDOTTSWSA-N 223.232 0.721 30 20 BCED C[C@@H](C#N)OCCN(C)[C@@H]1CCC(=O)N(C)C1 846921181 OGEHIVBMIXHILD-WDEREUQCSA-N 239.319 0.468 30 20 BCED N#Cc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)o1 848132526 NBNUYFSKBHTWCY-MRVPVSSYSA-N 249.226 0.261 30 20 BCED CCn1ncnc1C=NN1CCCNC1=O 848408346 KDIHZNPNYSHHPJ-UHFFFAOYSA-N 222.252 0.047 30 20 BCED C=CCONC(=O)NC[C@H](C)C(=O)O 848580978 HGVXODDUSUHROH-LURJTMIESA-N 202.210 0.124 30 20 BCED CC#CCCOC(=O)[C@@H]1CCCS1(=O)=O 848857262 VOEMHYORQNWGSF-VIFPVBQESA-N 230.285 0.520 30 20 BCED CC/N=C(/NCC)NCC1(C(=O)OCC)CC1 849214727 JHFCDFXBTRHYAX-UHFFFAOYSA-N 241.335 0.905 30 20 BCED CCN1CC[C@H](OC(=O)CSCC#N)C1=O 849681582 VBCMFKJEIATZFA-QMMMGPOBSA-N 242.300 0.407 30 20 BCED C#CCO[C@H](C)C(=O)OC[C@H](O)C(C)C 849788287 KMWVVVYSBGPCLE-ZJUUUORDSA-N 214.261 0.585 30 20 BCED C#CCOCCN1CCN(C)C(=O)C1(C)C 851808367 MRWYVXOEURLUMK-UHFFFAOYSA-N 224.304 0.189 30 20 BCED C#C[C@@](C)(CC)NCC(=O)NC(=O)NC1CC1 852098417 MKZZFZCQWGRHCG-LBPRGKRZSA-N 237.303 0.366 30 20 BCED C[C@@H](C#N)OCCN(C)Cc1nnc(O)o1 852188096 WJBMJBYEPLMZLR-ZETCQYMHSA-N 226.236 0.136 30 20 BCED C=CCCn1cc(C=NN[C@@H]2CCC[C@H]2O)nn1 853359688 RRWUXUGPXZJDSZ-VXGBXAGGSA-N 249.318 0.691 30 20 BCED C#CCCCCNC(=O)NCCCc1nc[nH]n1 853853126 RZINWUIWIAUKDO-UHFFFAOYSA-N 249.318 0.840 30 20 BCED C[C@H]1C(=O)N(N=CC[C@H]2CCOC2)C(=O)N1C 857214797 HNFNXVLYJIEEIC-IUCAKERBSA-N 239.275 0.681 30 20 BCED C#CC[C@@H](CCOC)NC(=O)NOCC 858098848 SECZGJWMDSXYIH-VIFPVBQESA-N 214.265 0.666 30 20 BCED C#CCCOC(=O)N1CCN(CCCO)CC1 859092904 HJQBGIFYMGZUPS-UHFFFAOYSA-N 240.303 0.146 30 20 BCED C#CCCOC(=O)NCCN1CCO[C@H](C)C1 859121012 PPDVEHTYWKJYIF-LLVKDONJSA-N 240.303 0.457 30 20 BCED C[C@H](N)CN(C)C(=O)NCc1ccc(C#N)cn1 861633895 WXJOWENTJXSIAE-VIFPVBQESA-N 247.302 0.442 30 20 BCED N#CCCCCCC(=O)NC[C@H]1COCO1 861976391 GRLCTSNBWFAXFT-JTQLQIEISA-N 226.276 0.950 30 20 BCED COC/C=C\C(=O)N[C@@](C)(C#N)COC 866603466 MTDGLRQLZIJHHT-LWTINBJPSA-N 212.249 0.234 30 20 BCED Cc1nc(C#N)cc(N[C@@H]2CCN(C)C(=O)C2)n1 882237237 KLUIIDKWKLSEFG-SECBINFHSA-N 245.286 0.689 30 20 BCED C#CC[C@H](CO)NS(=O)(=O)CC(CC)CC 882343503 VECNTMNJSLYVFY-LLVKDONJSA-N 247.360 0.726 30 20 BCED C#CC[C@H](CO)NCc1cc(COC)on1 883125393 HXZJOADUBJTHOU-SECBINFHSA-N 224.260 0.295 30 20 BCED C=C(CN(C)C)C(=O)N[C@@H](CCC)C(=O)OC 886322394 BBHJYIQJROKZTP-JTQLQIEISA-N 242.319 0.562 30 20 BCED C#CC1(O)CN(C(=O)[C@@H]2CCN2C2CCCC2)C1 890527453 SKLHZSPYRCXLQO-LBPRGKRZSA-N 248.326 0.210 30 20 BCED C#CC1(O)CN(C(=O)N[C@H](COC)C(C)C)C1 893211259 SPZYOEAIOSGKMF-SNVBAGLBSA-N 240.303 0.047 30 20 BCED CO[C@@H]1CN(c2cc(C)cc(C#N)n2)C[C@H]1O 894090179 CVSVFADHEXPZQC-GHMZBOCLSA-N 233.271 0.458 30 20 BCED C[C@H](N[C@H]1CCCN(O)C1=O)C1CCOCC1 895162434 ZLOVEOOYFMXFHI-ONGXEEELSA-N 242.319 0.771 30 20 BCED C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)OC1=O 896348656 JQJPCJOCOJRQBY-XHNCKOQMSA-N 226.276 0.954 30 20 BCED C=CCCN(C)C(=O)N[C@@H]1C[C@@H](C)OC1=O 896358060 WYEQXSYLBTUQRH-RKDXNWHRSA-N 226.276 0.908 30 20 BCED C#CCSCC(=O)NC[C@H]1COC(C)(C)O1 896974287 WSBGWQHOCRUZJF-VIFPVBQESA-N 243.328 0.621 30 20 BCED C#CCSCC(=O)N1CC(C)(C#N)C1 897631416 XNHKBGGTZFCJBW-UHFFFAOYSA-N 208.286 0.725 30 20 BCED C#CCONC(=O)[C@]1(OC)CCSC1 897812333 SLPBERZVJZUSQN-VIFPVBQESA-N 215.274 0.190 30 20 BCED C=C[C@H](C)NC(=O)NCc1n[nH]c(C)n1 898362549 HWJQZOJJBDOVFW-LURJTMIESA-N 209.253 0.487 30 20 BCED C=C1CN(C(=O)CCS(=O)(=O)CC(C)C)C1 898693008 COUPPFAZNMXWEC-UHFFFAOYSA-N 245.344 0.846 30 20 BCED C=CCOC[C@H](N[C@H]1CSC[C@H]1C)C(=O)O 901809432 DSQRYWXXKUUUCI-UTLUCORTSA-N 245.344 0.983 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 909373737 BKRZGBXTVKAGGD-RBLKWDMZSA-N 237.299 0.655 30 20 BCED C=C[C@H](O)C(=O)N1CCC(CCC(=O)O)CC1 909437269 HTXMITLEFXUKMW-JTQLQIEISA-N 241.287 0.637 30 20 BCED C=C[C@H](O)C(=O)NC[C@H](CC1CC1)C(=O)O 909882442 KCJOOSLWYQMQEP-IUCAKERBSA-N 227.260 0.150 30 20 BCED N#Cc1ccc2c(c1)CCN2C(=O)CCC(N)=O 910482629 UEAKVDFWMZIMKR-UHFFFAOYSA-N 243.266 0.713 30 20 BCED C=C(C)CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 911407375 DCUSLXWPVWJFRX-OPRDCNLKSA-N 241.287 0.947 30 20 BCED C#C[C@@H](CCC)NC(=O)c1cnc(C(=O)O)cn1 911613100 YFSRLHAYNVUNOB-QMMMGPOBSA-N 247.254 0.707 30 20 BCED C=C1CN(C(=O)C2(C(=O)N3CC(=C)C3)CCC2)C1 912448069 QSEVKKFDOJUFDP-UHFFFAOYSA-N 246.310 0.954 30 20 BCED CN(C)CC#CCNC(=O)Cc1cccnc1 913518463 QICFUKCHUDVNKI-UHFFFAOYSA-N 231.299 0.305 30 20 BCED Cc1ccn(C)c1C(=O)NCC#CCN(C)C 913521004 HVWYTYKBFSQLLL-UHFFFAOYSA-N 233.315 0.628 30 20 BCED C=CCNC(=S)N1CCC(CO)CC1 916016723 HYCQDOOYEQCVBT-UHFFFAOYSA-N 214.334 0.751 30 20 BCED C#CCN(C(C)C)S(=O)(=O)C[C@H]1CCOC1 921431728 ROTOTBOZEHVKRY-NSHDSACASA-N 245.344 0.696 30 20 BCED CC[C@](C)(C#N)C(=O)N(C)CCC(=O)O 923057178 NXAGCPSVPZBHNV-SNVBAGLBSA-N 212.249 0.859 30 20 BCED CON=CC(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 923270062 KZBDJXMLISAJFZ-ZJUUUORDSA-N 225.292 0.314 30 20 BCED C=CC(=O)NCCC(=O)N1CCC[C@@H](C#N)C1 928221476 MMJZBMWBCCGDSW-JTQLQIEISA-N 235.287 0.441 30 20 BCED CN(C)CC#CCNC(=O)Nc1ccn(C)n1 930074625 DETOGAIBENYZJU-UHFFFAOYSA-N 235.291 0.107 30 20 BCED C#CCN(CC(=O)NC1(C#N)CCC1)C(C)C 932387865 MMHQRITWDAOKCD-UHFFFAOYSA-N 233.315 0.892 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H](CC(=O)OC)C1CC1 934411872 HALCKRRRNXLUTG-SKDRFNHKSA-N 241.287 0.381 30 20 BCED C#CC1(O)CN(CCC2(OC)CCC2)C1 934450805 SYTMWFJTJLYJME-UHFFFAOYSA-N 209.289 0.626 30 20 BCED C=CCN1C[C@H]2C(NC(=O)[C@H]3CCCN3C)[C@@H]2C1 958378894 RKHKSSNRAKQYSD-IJLUTSLNSA-N 249.358 0.313 30 20 BCED C=CCN[C@@H]1CCN(C(=O)c2nccnc2N)C1 968027342 KHNKRQNTPGQAKB-SECBINFHSA-N 247.302 0.049 30 20 BCED C[C@@H](NC(=O)C1=CCOCC1)C1CN(CC#N)C1 969546305 JCWRCPSFMCEHDL-SNVBAGLBSA-N 249.314 0.293 30 20 BCED C[C@H](C#N)C(=O)N1C[C@H]2CC[C@H]1CN2CC#N 971194209 ALWQLIUKXUNXCB-MXWKQRLJSA-N 232.287 0.345 30 20 BCED CN(CC#N)[C@H]1CCN(C(=O)c2cncnc2)C1 971391606 QYUMNECAIGHJLP-NSHDSACASA-N 245.286 0.146 30 20 BCED C#CCN[C@H]1CCN(C(=O)c2cc[nH]c2)[C@H]1C 986298824 DDWYYUFHNKZKKW-JQWIXIFHSA-N 231.299 0.841 30 20 BCED CS[C@@H](C)C(=O)N1CCC[C@H](NCC#N)C1 998584393 CECOCWNOKNRBDC-UWVGGRQHSA-N 241.360 0.842 30 20 BCED C#CCN[C@H]1CCCN(C(=O)Cc2ccon2)C1 998772513 VPZWHUADQDZZOI-LBPRGKRZSA-N 247.298 0.431 30 20 BCED C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 1006665629 HCPPFEMAPSFPLA-VXGBXAGGSA-N 238.331 0.932 30 20 BCED C#CCN1CC[C@H](NC(=O)C(C)(F)F)C1 1009844860 WVUFZQDXTQGILK-QMMMGPOBSA-N 216.231 0.465 30 20 BCED C#CCN1CC[C@@H](NC(=O)C2CCOCC2)C1 1009885270 SCCJWMFZXXCHLR-GFCCVEGCSA-N 236.315 0.237 30 20 BCED CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)C#N 1017418682 NYUPTQSGSRGGCB-MXWKQRLJSA-N 221.304 0.841 30 20 BCED N#CCN[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 1018923385 ZMJOYVRPPNYUKN-ZDUSSCGKSA-N 243.310 0.999 30 20 BCED C=CCN[C@H]1C[C@H](NC(=O)c2cccc(O)n2)C1 1020048394 QDQRVCBJHGCTDS-MGCOHNPYSA-N 247.298 0.824 30 20 BCED C#CCN[C@H]1C[C@H](NC(=O)c2ccn(CC)n2)C1 1020678785 YLTRLACKGMSJTM-XYPYZODXSA-N 246.314 0.387 30 20 BCED CC(C)C(=O)N1C[C@@H]2CC[C@@H](NCC#N)[C@H]2C1 1026205572 VDLPLYHKYDZBQY-SDDRHHMPSA-N 235.331 0.993 30 20 BCED C=C(C)CN1CC(NC(=O)c2c(C)ncn2C)C1 1030478755 DENYBRMXHVJTMS-UHFFFAOYSA-N 248.330 0.719 30 20 BCED C=CCN1CC(NC(=O)[C@@]2(C)CCCOC2)C1 1031156914 SMOAIVXYTBVWHW-ZDUSSCGKSA-N 238.331 0.790 30 20 BCED CN(C(=O)c1ccc[nH]1)[C@H]1CCN(CC#N)C1 1032902164 HSRLHDBHWYTSKH-JTQLQIEISA-N 232.287 0.685 30 20 BCED CN(C(=O)c1ccon1)[C@H]1CCN(CC#N)C1 1032918424 HPVXQGGTYZLYLY-VIFPVBQESA-N 234.259 0.344 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C 1036025617 MNNVSWXEKGXZIZ-WDEREUQCSA-N 246.314 0.483 30 20 BCED C#CCN1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 1038171491 ZVZXIWCGCCFHFZ-NSHDSACASA-N 242.282 0.324 30 20 BCED C=CCN1CC[C@@H]1CNC(=O)c1csnn1 1038557037 JTBAVJNLEFAPMA-MRVPVSSYSA-N 238.316 0.528 30 20 BCED C#CCN1CC[C@H]2CCN(C(C)=O)C[C@@H]21 1041859255 IQWVTACDHDZJED-RYUDHWBXSA-N 206.289 0.562 30 20 BCED CN(C(=O)c1cccnc1)C1CN(CC#N)C1 1042414500 NGTTXELFCWASHK-UHFFFAOYSA-N 230.271 0.361 30 20 BCED C=CCN1CC(N(C)C(=O)c2cncnc2)C1 1042643342 ATIUXCQXJLNKQS-UHFFFAOYSA-N 232.287 0.419 30 20 BCED C=CCN1C[C@H]2CN(C(=O)CSC)C[C@H]2C1 1048669588 RICITXKMMHDDDY-PHIMTYICSA-N 240.372 0.926 30 20 BCED C=CCCN1CCC[C@H](NC(=O)C(N)=O)CC1 1052679381 NKFNVOPXIVZXFO-JTQLQIEISA-N 239.319 0.019 30 20 BCED C=CCN1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](C)C1 1079514937 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C=CCNC(=O)[C@H](C)N(C)C[C@@H](C)OC 285492835 CIZILUHHDICANN-ZJUUUORDSA-N 214.309 0.644 30 20 BCED C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCC[C@H]1O 285637338 ANVQWBFKDDHGBH-GMTAPVOTSA-N 226.320 0.522 30 20 BCED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1COC[C@H]1O 287153516 FHQDLYJKMVBTHR-CKYFFXLPSA-N 227.304 0.807 30 20 BCED N#Cc1cccnc1N1CCOCCN1 289164390 QGWKBPSVCOIXKP-UHFFFAOYSA-N 204.233 0.294 30 20 BCED C#CCCNC(=O)NCCc1cccnc1OC 290595228 AFDGSBGHXZCTTH-UHFFFAOYSA-N 247.298 0.955 30 20 BCED C=C[C@H](CO)NC(=O)c1cc(C)nc(NC)n1 290686128 UMQYYRZMIWMXMS-MRVPVSSYSA-N 236.275 0.103 30 20 BCED CCn1cnnc1NC(=O)CCCC#N 291510655 QPGLJIJGLYQEGZ-UHFFFAOYSA-N 207.237 0.930 30 20 BCED CNC(=O)OC[C@H]1CCCCN1C(=O)CC#N 292705383 QXXYHQBOGJJIAO-SECBINFHSA-N 239.275 0.637 30 20 BCED CC#CCNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 293133615 WAVQYRSYKUUJBU-SNVBAGLBSA-N 249.314 0.320 30 20 BCED C=CCCCC(=O)NC[C@H]1CC[C@@H](CO)O1 293784405 FERSTKJXDVVRFE-MNOVXSKESA-N 227.304 0.999 30 20 BCED C#CCO[C@H](C)C(=O)N[C@@H](CO)c1ccccc1 295020670 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233.333 0.907 30 20 BCED C=CCNC(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C 355330528 XVCNBAMWAXSNTH-YUSALJHKSA-N 240.347 0.938 30 20 BCED CC#CCCNS(=O)(=O)N(CC)CC1CC1 356600318 XIJZYKWAWIUQID-UHFFFAOYSA-N 244.360 0.966 30 20 BCED CC(C)[C@@H](CO)CNC(=O)c1cnccc1C#N 359714915 IGAOFSCNRKVILQ-LLVKDONJSA-N 247.298 0.948 30 20 BCED CC#CCCN1CC[C@H](NC(=O)NC2CC2)C1 360593923 GMDKWMGXAVIHEH-LBPRGKRZSA-N 235.331 0.936 30 20 BCED CC(=O)CSCC(=O)N1CCOC[C@@H]1C#N 362604303 RRXGSEOPGYZOQC-VIFPVBQESA-N 242.300 0.060 30 20 BCED CC[C@H](NC(=O)c1cnccc1C#N)C(=O)OC 362949528 PPFKZDYBFPXUHF-JTQLQIEISA-N 247.254 0.635 30 20 BCED C=CCS(=O)(=O)CCNCc1ccnn1C 381488806 LLPIVCFKSJUCKE-UHFFFAOYSA-N 243.332 0.111 30 20 BCED O=C(O)CNN=C1CCOc2ccccc21 382156967 RLIAJOHIAAGQCH-UHFFFAOYSA-N 220.228 0.847 30 20 BCED COC(=O)N1CCN(c2ncncc2C#N)CC1 387085164 FNAROZPSIPAXDU-UHFFFAOYSA-N 247.258 0.237 30 20 BCED CC[C@H](C#N)C(=O)N1C[C@@H](O)C(C)(C)C1 388166344 JOSVYYAJWZRPLZ-RKDXNWHRSA-N 210.277 0.765 30 20 BCED 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NHUOMFHPCVGFMR-SSDOTTSWSA-N 245.304 0.538 30 20 BCED C=C(C)CCNC(=O)N1CCN(C)CC1 334786652 JINGFPYXZHRNET-UHFFFAOYSA-N 211.309 0.910 30 20 BCED CC#CCN1CCC(N(C)S(C)(=O)=O)CC1 335368160 WCLQIXQNBUBXNV-UHFFFAOYSA-N 244.360 0.366 30 20 BCED CN1CC[C@@H](C(=O)N[C@]2(C#N)CC2(C)C)CC1=O 335409192 LAZBNNSGCPDRMH-RNCFNFMXSA-N 249.314 0.663 30 20 BCED CCN1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 335587821 KYGSAJOGNNAUPV-JQWIXIFHSA-N 221.304 0.700 30 20 BCED Cc1oc(C#N)cc1C(=O)N1CCNC(=O)[C@@H]1C 336150888 PASPKRIVOHRFEB-ZETCQYMHSA-N 247.254 0.420 30 20 BCED CC#CCCNC(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 336572245 BDGRGSZZBSSVLF-QWRGUYRKSA-N 249.314 0.462 30 20 BCED CS[C@H](C)CC(=O)NCC#CCO 336658505 RUZJIZUTMSQXDA-MRVPVSSYSA-N 201.291 0.240 30 20 BCED Cc1nnc2ccc(C(=O)NCC#N)cn12 338393199 PITIRZSMPLXJTI-UHFFFAOYSA-N 215.216 0.291 30 20 BCED C=CCOCCN[C@H]1CCC(=O)N[C@H]1C1CC1 339167036 GCUNKOMJSVXIKS-AAEUAGOBSA-N 238.331 0.836 30 20 BCED N#CCNC(=O)Cn1nnc2ccccc21 339924197 WCDKGTFMKAEELF-UHFFFAOYSA-N 215.216 0.071 30 20 BCED N#Cc1ccncc1NCCCc1nc(O)n[nH]1 340256010 GLENFAOCGIXMFT-UHFFFAOYSA-N 244.258 0.822 30 20 BCED C=CC[C@H](CO)CNC(=O)NCCCOC 340746306 SLDMLUIPLPYCGA-JTQLQIEISA-N 230.308 0.507 30 20 BCED N#Cc1cc(=NC[C@@H](O)[C@H]2CCOC2)cc[nH]1 342419688 VCGYPXAQWCUICU-JOYOIKCWSA-N 233.271 0.184 30 20 BCED C[C@H](C#N)CN(C)Cc1cc(=O)n2nccc2[nH]1 343040375 QCCACSMHJNFEKU-SECBINFHSA-N 245.286 0.614 30 20 BCED N#Cc1cccnc1NCc1cc(C(N)=O)no1 343783383 FBNYJQPWZXCAPL-UHFFFAOYSA-N 243.226 0.652 30 20 BCED N#Cc1ccc(C(=O)N[C@@]2(C#N)CCOC2)o1 347151903 GISQHDBIVZQAHS-LLVKDONJSA-N 231.211 0.564 30 20 BCED C=C(C)CN(CC)S(=O)(=O)C1COC1 351564696 UIOYUTWTXKNRLJ-UHFFFAOYSA-N 219.306 0.613 30 20 BCED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](C)C1 351959318 OOVNKZKMVOUICJ-GHMZBOCLSA-N 239.319 0.061 30 20 BCED Cn1ncc(C(=O)NCc2ccccn2)c1C#N 353346448 OMGQPTBCHQOANE-UHFFFAOYSA-N 241.254 0.617 30 20 BCED C=CCOCC(=O)N[C@@H](C)CN1CCCC1=O 354566813 ANCLKZGUNGLNSQ-JTQLQIEISA-N 240.303 0.316 30 20 BCED COCC[C@@H](Nc1cc(C#N)cc(C)n1)C(N)=O 357464153 WEFNYIFHVGLREC-SNVBAGLBSA-N 248.286 0.564 30 20 BCED C=CCOCC(=O)N[C@H](C)C1=CCN(C)CC1 357920931 QPNTVFGUNZUHRK-LLVKDONJSA-N 238.331 0.956 30 20 BCED Cc1cnn(CCC(=O)N[C@@]2(C#N)CCOC2)c1 358471535 HUGUDZFWOOPVHG-GFCCVEGCSA-N 248.286 0.381 30 20 BCED C=CCC(CC=C)C(=O)NCc1nnn(C)n1 362945276 RLEVBMGBXAFLHN-UHFFFAOYSA-N 235.291 0.595 30 20 BCED CN(CC#N)C(=O)[C@H]1CCc2nccn2C1 364399804 LWALHVOUKAQFAY-VIFPVBQESA-N 218.260 0.427 30 20 BCED C#CCOCCC(=O)N1CCn2nccc21 375539228 IOONCIIKLPRWIE-UHFFFAOYSA-N 219.244 0.270 30 20 BCED Cn1ncnc1CN[C@@H]1CC[C@H](C#N)C1 379922749 IVXOTKZYSFVEOA-DTWKUNHWSA-N 205.265 0.597 30 20 BCED CC[C@](C)(C#N)C(=O)N1CC(O)(COC)C1 384100473 FENLMWBVLNZAIB-SNVBAGLBSA-N 226.276 0.146 30 20 BCED C[C@@H]1C[C@H](O)CN1c1cccc(C#N)n1 384822721 OJYPKVTXINFQTR-SCZZXKLOSA-N 203.245 0.913 30 20 BCED C=CCOCC(=O)NC1=NCCS1 388685808 JQSNJBJZDPGUNN-UHFFFAOYSA-N 200.263 0.408 30 20 BCED CCO[C@@H]1C[C@H]1Nc1ccc(C#N)cn1 393624559 RJAMATXKUMSCKO-NXEZZACHSA-N 203.245 1.543 30 20 BCED C[C@@H](C#N)C(=O)NCc1ncc(Cl)n1C 393642152 QGADNCZDKGGTEC-LURJTMIESA-N 226.667 0.849 30 20 BCED CC[C@H](C#N)OC(=O)C[S@](=O)CC 393718205 STVZDDYHRYWOCO-FUXBKTLASA-N 203.263 0.600 30 20 BCED CN(C[C@H]1CCOC1)c1cc(C#N)ncn1 398882616 IODMUWWRDKTRDQ-SECBINFHSA-N 218.260 0.821 30 20 BCED C=CCNC(=O)[C@H](C)N1CCC(CCO)CC1 400972699 NPFOTMHNODPXMF-NSHDSACASA-N 240.347 0.772 30 20 BCED N#CCC1(CNS(=O)(=O)NC2CC2)CC1 404258755 NJWNJXQLODEFCL-UHFFFAOYSA-N 229.305 0.267 30 20 BCED C=CCCCCNS(=O)(=O)C1CNC1 405082097 LPZFPQXRZPSXGR-UHFFFAOYSA-N 218.322 0.234 30 20 BCED C=CCS(=O)(=O)NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 407948936 QWTVWGMHOCZDCH-HRDYMLBCSA-N 247.316 0.432 30 20 BCED C=CCn1cc(CNC(=O)NC(C)C)nn1 424057529 BNJCBZGTWMEEBL-UHFFFAOYSA-N 223.280 0.672 30 20 BCED C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC#N 426416853 MMTFKDOJCJFUFW-GXSJLCMTSA-N 236.319 0.682 30 20 BCED CN1CCC(C)(CNC(=O)NCCC#N)CC1 426437111 UVVKBZKTQHAYPA-UHFFFAOYSA-N 238.335 0.931 30 20 BCED N#CCN(CC#N)C(=O)c1cn2c(n1)CCCC2 440626765 RIBLGHIWBXMXEN-UHFFFAOYSA-N 243.270 0.709 30 20 BCED C=CC(C)(C)C(=O)NCCOCCN(C)C 450437029 KFMSZXUJSMBVHK-UHFFFAOYSA-N 228.336 0.893 30 20 BCED C=CCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)O 451756904 MVAOWTYFJDVDAS-VIFPVBQESA-N 235.349 0.984 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)CF 454951514 GYUJBXMOAVWHNF-HLTSFMKQSA-N 216.256 0.987 30 20 BCED C#CCN(C)c1nnc(CC)n1C[C@H]1CCOC1 491165413 KYDUMDKDWTXEHS-LLVKDONJSA-N 248.330 0.946 30 20 BCED C#C[C@@H](C)N(C)CC(=O)NCc1cccnc1 491252535 IHQXBTCOUONAFO-LLVKDONJSA-N 231.299 0.651 30 20 BCED C#CCN(C)C(=O)C1(C(=O)OCC)CCC1 491691631 FRTPPONFPLNDGL-UHFFFAOYSA-N 223.272 0.811 30 20 BCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccnc1C 491700089 KBHCQSNXPSUHSA-VIFPVBQESA-N 245.282 0.809 30 20 BCED CC[C@H](C#N)OC(=O)[C@@H]1NC(=O)O[C@@H]1C 495853046 DBCVIQDHCXUCEO-FSDSQADBSA-N 212.205 0.329 30 20 BCED C#CCSCCOC(=O)[C@H](C)NC(=O)OC 496907035 IHCBDQLLLWZBFB-QMMMGPOBSA-N 245.300 0.641 30 20 BCED CCC[C@@H]1C[C@H]1NC[C@@H](O)CN(C)CCC#N 517556483 KXFWWTBKSYRVKX-JHJVBQTASA-N 239.363 0.971 30 20 BCED N#C[C@@H]1CCC[C@@H](NC[C@@H]2COCCN2)C1 527533840 WFJBPBMKYQCADW-IJLUTSLNSA-N 223.320 0.647 30 20 BCED N#CCCN1CCC[C@H](N2CCNC2=O)C1 533032123 INDIAVBYAGJHBN-JTQLQIEISA-N 222.292 0.390 30 20 BCED O=C(NCC#CCO)c1cc(C2CC2)on1 555524912 QZIZPDPMIZFZQZ-UHFFFAOYSA-N 220.228 0.278 30 20 BCED CO[C@@H](C)[C@@H](C)Nc1ccc(C#N)c(N)n1 566481071 FHBKTLCWVXNOKW-SFYZADRCSA-N 220.276 1.371 30 20 BCED C=CCSCCNC[C@@H](C)S(C)(=O)=O 573953522 BOKHZKHOOOKRJJ-SECBINFHSA-N 237.390 0.928 30 20 BCED CO[C@@H](C)[C@H](C)N=c1cc[nH]c(C#N)n1 574339016 JOOWDYMPRCDQBV-YUMQZZPRSA-N 206.249 0.605 30 20 BCED C[C@@H](O)[C@H]1CCN(C(=O)NCC2(C#N)CC2)C1 576295901 FBRRJEQOWMAOAD-ZJUUUORDSA-N 237.303 0.702 30 20 BCED N#Cc1cc(=O)n(C[C@@H]2CCCCO2)cn1 577609066 WCXFKKHDQZJZAA-JTQLQIEISA-N 219.244 0.684 30 20 BCED CN(CC(=O)Nc1ccon1)CC(C)(C)C#N 590123843 YIFZCUQMWFUGJL-UHFFFAOYSA-N 236.275 1.095 30 20 BCED N#CC1CN(C(=O)Cc2ccncc2)C1 590483158 AEDXYMJPBSJXTR-UHFFFAOYSA-N 201.229 0.606 30 20 BCED C=C[C@H](N[C@@H]1COC[C@H]1OCC)C(=O)OC 590763594 LDKSCQKFIUPDOW-IVZWLZJFSA-N 229.276 0.108 30 20 BCED CC[C@@H](C#N)C(=O)NC[C@@](C)(O)CSC 593479769 DZDFSWMOBWJHGW-WCBMZHEXSA-N 230.333 0.766 30 20 BCED N#Cc1ccc(NCC[C@]2(O)CCCOC2)nc1 593519112 OKKMHXRKZSJILB-CYBMUJFWSA-N 247.298 1.297 30 20 BCED CC[C@H](C#N)C(=O)NC[C@H](O)C1CCC1 593738370 PKOBPXHUCPWIFL-SCZZXKLOSA-N 210.277 0.813 30 20 BCED CN1CCN(Cc2cn(CCCC#N)nn2)CC1 594650067 PWOJUXXRAIKDHN-UHFFFAOYSA-N 248.334 0.329 30 20 BCED C[C@@]1(c2nccs2)NC(=O)N(CC#N)C1=O 594907823 IWUIMEZPFQDUHE-VIFPVBQESA-N 236.256 0.434 30 20 BCED CC1(C#N)CCN(CCc2cnn[nH]2)CC1 595433336 YUPDFLBMRMYHQT-UHFFFAOYSA-N 219.292 0.973 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)NCCOCCF)C1 595649430 MVBVGJIIYXJOHS-VHSXEESVSA-N 243.282 0.964 30 20 BCED C=CCCSCCNC(=O)[C@@H]1CNCCO1 595940651 STMZMNBPWVXVIT-JTQLQIEISA-N 244.360 0.400 30 20 BCED Cc1ccc(C#N)nc1N1CCO[C@H](C#N)C1 596115949 FGLABTLGGMNOQO-LLVKDONJSA-N 228.255 0.990 30 20 BCED C[C@@H](O)C1(Nc2cc(C#N)cnn2)CC1 596524356 WAXJDEDIOIGSLP-SSDOTTSWSA-N 204.233 0.674 30 20 BCED COC[C@@H](OC)C(=O)N(C)[C@H](C)CC#N 597143674 BHZJDNDZAYMLNM-RKDXNWHRSA-N 214.265 0.408 30 20 BCED Cc1nccnc1C(=O)N1CCSC[C@H]1C#N 597478291 QNALAUMCSGJMAD-SECBINFHSA-N 248.311 0.866 30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@](C)(C#N)C1 597498770 WCWANUGXBZZQLM-MWLCHTKSSA-N 208.261 0.686 30 20 BCED N#CC[C@H]1CCCN(C(=O)[C@@H](O)C2CC2)C1 597899741 DGGDOFNZSBMCSB-KOLCDFICSA-N 222.288 0.910 30 20 BCED N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 597905581 GGGXMRRZIJSOBG-MNOVXSKESA-N 249.314 0.807 30 20 BCED CC(C)(C#N)C[C@H](O)CN1CC[C@H](O)C1 598588845 CRSLYOUCVRTESR-UWVGGRQHSA-N 212.293 0.354 30 20 BCED CCO[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H]1CN 600769232 KDQAUBMHCZASGU-ZWNOBZJWSA-N 249.314 0.947 30 20 BCED C[C@H](C#N)CNC(=O)c1csc(CO)n1 601141741 PLSZKLBJBFMUBK-ZCFIWIBFSA-N 225.273 0.525 30 20 BCED Cc1[nH]nc(NC(=O)Cn2ccnc2C)c1C#N 601678324 DVQKLCLXTPNQPI-UHFFFAOYSA-N 244.258 0.733 30 20 BCED CC(C)[C@@H](C#N)NC(=O)C1(CN(C)C)CC1 602097878 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C#C[C@@H](C)OC(=O)c1cc(C(=O)OC)nn1C 870212691 QNNLHPLXDKCLGR-SSDOTTSWSA-N 236.227 0.385 30 20 BCED C[C@H](C#N)CNC(=O)/C=C1/SCC(=O)N1C 874453189 OYOKILZBICFYSU-AFDBGUQGSA-N 239.300 0.309 30 20 BCED C=CCONC(=O)N1CCO[C@H](COCC)C1 875650167 FNHLHYYVFBZUSB-JTQLQIEISA-N 244.291 0.551 30 20 BCED CC(C)(O)CN1CCC(NCCC#N)CC1 877482592 DOMROJQZMJODLK-UHFFFAOYSA-N 225.336 0.725 30 20 BCED C#CC[C@@H](CO)NC(=O)c1cc(C(F)F)[nH]n1 880064479 NNLSJHZXIJMVJA-LURJTMIESA-N 243.213 0.461 30 20 BCED N#Cc1ccc(C(=O)NC[C@@H](N)C2CC2)[nH]1 884242488 YKGGUZAMNFNDGO-SECBINFHSA-N 218.260 0.353 30 20 BCED C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CN 884341195 UJMJQDWSUUBKRD-VHSXEESVSA-N 246.314 0.943 30 20 BCED N#Cc1ccc(C(=O)NC[C@H]2C[C@H](N)C2)[nH]1 884469860 YFJCMEODSIIMPG-ZKCHVHJHSA-N 218.260 0.353 30 20 BCED C#CCSCC(=O)O[C@@H](C)C(=O)OCC 885896893 XLHNSRRXGBLRJV-QMMMGPOBSA-N 230.285 0.848 30 20 BCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NCC#N 886959234 MIQYMCMILSPOHA-UWVGGRQHSA-N 226.276 0.600 30 20 BCED 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RUCHUAFKZKPGHW-UHFFFAOYSA-N 223.228 0.921 30 20 BCED C#CC[C@H](NC(=O)[C@H](CC)SC)C(=O)O 910049119 SYMLYIUFSMSNBP-YUMQZZPRSA-N 229.301 0.721 30 20 BCED C#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 910798823 SAUFRYFLOCUTJB-JZYVYDRUSA-N 221.256 0.579 30 20 BCED C=C[C@@](C)(O)C(=O)NCC1(N)CCCCC1 911651189 COOIDCZPFZRYSF-LLVKDONJSA-N 226.320 0.701 30 20 BCED COC1(C(=O)NCC#CCN(C)C)CCC1 913521138 MGBPTQXEKXKODV-UHFFFAOYSA-N 224.304 0.237 30 20 BCED CN(C)CC#CCNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 913523357 XHYOLLXOFNTMEN-QJPTWQEYSA-N 248.326 0.283 30 20 BCED C=CCNC(=O)COC(=O)CSC(C)C 914591775 WHDSEPACRORPFD-UHFFFAOYSA-N 231.317 0.973 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1ccnc(C)n1 919465172 KIOKXBGMWGJTIY-QMMMGPOBSA-N 247.254 0.080 30 20 BCED CNC(=O)CNC(=O)c1ccccc1OCC#N 919808909 MGNUAYXHKQYNAU-UHFFFAOYSA-N 247.254 0.065 30 20 BCED CC[C@@H]1[C@@H](C)CCN1C(=O)NCC#CCO 923773152 FGJFWGOAEUPZIT-WDEREUQCSA-N 224.304 0.812 30 20 BCED CC(C)[C@H]1CN(C(=O)NCC#CCO)CCO1 923773597 NBCLAMIJKWXDAV-LLVKDONJSA-N 240.303 0.049 30 20 BCED CC[C@H](C[C@@H](C)CO)NC(=O)NCC#CCO 923778504 VVXWXHWJOHODDJ-GHMZBOCLSA-N 242.319 0.078 30 20 BCED COC[C@H](C#N)OC(=O)c1cc(C2CC2)nn1C 923824569 HKVDJKGOIJJAPP-VIFPVBQESA-N 249.270 0.993 30 20 BCED C=C[C@@H](O)C(=O)N=[S@](C)(=O)C(C)C 926053402 ALRSJTYMIYPVMV-FUXBKTLASA-N 205.279 0.566 30 20 BCED C#CC[C@H]1NC(=O)N(CC2=CCCOC2)C1=O 927714641 PDDUGGTUFVMDPX-SNVBAGLBSA-N 234.255 0.277 30 20 BCED COCCCOCC(=O)N1CCC[C@@H](C#N)C1 928224609 YXTMSOXAYSCWMY-NSHDSACASA-N 240.303 0.802 30 20 BCED CNC(=O)C1(C(=O)N2CCC[C@@H](C#N)C2)CC1 928224906 TXIDNEDKIMEKMV-VIFPVBQESA-N 235.287 0.275 30 20 BCED C#CCOCCN[C@H]1COCCC1(OC)OC 931674983 LMCONIHPNNLUDC-NSHDSACASA-N 243.303 0.004 30 20 BCED C#CC1(O)CN(CCCSCC#N)C1 934448452 VLEADSFWWIOSCG-UHFFFAOYSA-N 210.302 0.313 30 20 BCED C=C[C@H](CC)CC(=O)N1CC(CC(N)=O)C1 935762862 IZVSHQZETGEZFE-SECBINFHSA-N 224.304 0.923 30 20 BCED C#CCN1C[C@@H]2C(NC(=O)[C@H]3OCC[C@H]3C)[C@H]2C1 961801595 FOGYXWMIBZLVLW-BLFANLJRSA-N 248.326 0.091 30 20 BCED Cc1conc1C(=O)N1CC[C@@H](NCC#N)C1 970422826 JZDRZISLGYGAAV-SECBINFHSA-N 234.259 0.311 30 20 BCED C#CCN(C)[C@H]1CCN(C(=O)c2cncs2)C1 971149810 MMEBBLNSTPSJPJ-JTQLQIEISA-N 249.339 0.923 30 20 BCED N#CCN[C@H]1CCC[C@@H](NC(=O)c2cc[nH]n2)C1 980932944 QVHLJPAYPBKIRO-VHSXEESVSA-N 247.302 0.564 30 20 BCED C[C@@H]1[C@@H](NCC#N)CCN1C(=O)C1=COCCC1 986048743 LHJCHDDZQURZQI-PWSUYJOCSA-N 249.314 0.783 30 20 BCED CCN[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 998752872 KSQZVBRIWDWPBU-NXEZZACHSA-N 209.293 0.747 30 20 BCED C#CCNC1CC(N(C)C(=O)c2ccnnc2)C1 999460043 XQLAOPSQASBLNI-UHFFFAOYSA-N 244.298 0.302 30 20 BCED C=CCN1CCC[C@H](CNC(=O)c2nc[nH]n2)C1 1023657081 LGLJIPGBKSXBPJ-SNVBAGLBSA-N 249.318 0.433 30 20 BCED C=CCN1[C@H]2CC[C@H]1CN(C(=O)c1cnn[nH]1)C2 1029376711 PIBKQOWSVDBVLA-UWVGGRQHSA-N 247.302 0.280 30 20 BCED C=CCCN1CC(NC(=O)c2cc(C)no2)C1 1030097906 DYQXRZBOFSAGCG-UHFFFAOYSA-N 235.287 0.973 30 20 BCED Cc1[nH]ccc1C(=O)NC1CN(CC#N)C1 1030199657 HPLQVKFPAAMXND-UHFFFAOYSA-N 218.260 0.261 30 20 BCED C#CCCN1CC(NC(=O)c2cnoc2CC)C1 1031033657 RMPPGVQKBTYRHZ-UHFFFAOYSA-N 247.298 0.674 30 20 BCED C=CCN1CC(CNC(=O)c2cncnc2O)C1 1031758590 YNXIHVDMRSOUAQ-UHFFFAOYSA-N 248.286 0.030 30 20 BCED N#CCN1CC[C@@H]1CNC(=O)C1CC(F)(F)C1 1038143082 DEDULLQDSJYMIS-SECBINFHSA-N 243.257 0.746 30 20 BCED C#CCCN1CC[C@H]1CNC(=O)c1cn(C)cn1 1038163484 JJXQOPBGJTZGPX-NSHDSACASA-N 246.314 0.248 30 20 BCED C=CCCN1CC[C@H]1CNC(=O)c1ccnnc1 1038732047 ISNHMFHMUOSTBL-LBPRGKRZSA-N 246.314 0.857 30 20 BCED C#CCN[C@H]1CN(C(=O)c2ccccn2)C[C@H]1C 1054326507 PHISVUYGENBJNM-YPMHNXCESA-N 243.310 0.765 30 20 BCED C#CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 1085476913 MHVRSOJTXSUQOD-LLVKDONJSA-N 247.298 0.763 30 20 BCED C=CCN1CC[C@@H](NC(=O)C2(C)CC2)[C@H](O)C1 1090287748 XCNVIAIGLWFMAU-GHMZBOCLSA-N 238.331 0.524 30 20 BCED C#CCNC1CC(CNC(=O)c2nc(C)c[nH]2)C1 1091274502 RHBILOYYSWRMKQ-UHFFFAOYSA-N 246.314 0.449 30 20 BCED C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1CNCC#N 1105753849 DUCIHJWSKGFAJJ-NXEZZACHSA-N 241.310 0.942 30 20 BCED C#CCNC(=O)NCc1c(O)nnc(C)c1C 1116079032 AOMAMKVTDLWEMQ-UHFFFAOYSA-N 234.259 0.231 30 20 BCED N#CC1(CNC(=O)CCc2ncc[nH]2)CC1 1117468115 ORLUODPJCOZLQZ-UHFFFAOYSA-N 218.260 0.762 30 20 BCED N#CCCNC(=O)N1CCC(F)(F)[C@H](CO)C1 1117701351 XVKBPYFFDPBEFX-QMMMGPOBSA-N 247.245 0.559 30 20 BCED C[C@@H]1CCN1C(=O)C(=O)NCC1(CC#N)CC1 1119545903 KXKPTPGJZUDMBU-SECBINFHSA-N 235.287 0.417 30 20 BCED C#Cc1ccc(C(=O)NC2(C(C)=O)CC2)nc1 1119645787 UUQFGBQTHCPNGH-UHFFFAOYSA-N 228.251 0.914 30 20 BCED C=CCCCNCCNC(=O)CC(=O)NCC 1126007366 JPKLINBYKIBMAB-UHFFFAOYSA-N 241.335 0.185 30 20 BCED CC#CCNCCNC(=O)C#CC(C)(C)C 1126915702 HIWHXUXBXNAQKV-UHFFFAOYSA-N 220.316 0.765 30 20 BCED C#CCO[C@@H](C)C(=O)NCCNC[C@@H](F)CC 1127045559 DTLGMVLKESQKAK-QWRGUYRKSA-N 244.310 0.479 30 20 BCED C#CCN[C@H](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 1133974632 OILSUUWSEDDBRC-MNOVXSKESA-N 248.330 0.458 30 20 BCED C#CCCN[C@H](C)C[C@@H](C)NC(=O)c1nc[nH]n1 1135736526 ZXFYLHHGJMRRBZ-NXEZZACHSA-N 249.318 0.315 30 20 BCED CC#CCNCCNC(=O)[C@]1(C)CCOC1 1135802002 ZNAVDZXECXLQGW-GFCCVEGCSA-N 224.304 0.142 30 20 BCED CC(C)(C#N)CC(=O)N[C@@H](CO)[C@@H]1CCOC1 1137914912 YGGYWXIFXIFRRG-ZJUUUORDSA-N 240.303 0.440 30 20 BCED C[C@H]1C[C@@H](O)CN(C(=O)c2cc(C#N)ccn2)C1 1142325389 WJFILFWMAROYCC-GXSJLCMTSA-N 245.282 0.796 30 20 BCED C[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC[C@H]1O 1155093685 XIFPKLSYQLCTGB-JOYOIKCWSA-N 247.298 0.740 30 20 BCED CCN(CC#N)[C@H](C)CNC(=O)c1nc(C)c[nH]1 1155730275 IWDWAOIZOYXPHC-SNVBAGLBSA-N 249.318 0.682 30 20 BCED COCC(=O)N[C@H](C)CCCCNCC#N 1168599615 NJVJAIMAWKRHOG-SNVBAGLBSA-N 227.308 0.421 30 20 BCED C=CCCC(=O)N1CC[C@H](N(C)C[C@H](C)O)C1 1189318328 JMIFZNBESBCPPW-RYUDHWBXSA-N 240.347 0.866 30 20 BCED C#CCNC1CCN(C(=O)C[C@@H](C)OC)CC1 1199692846 XTBNUGYLTHLKMM-LLVKDONJSA-N 238.331 0.625 30 20 BCED COCC(=O)N[C@@H]1CCCC[C@H]1NCC#N 1224353488 GONHARSCJVBKJY-NXEZZACHSA-N 225.292 0.173 30 20 BCED Cc1nnc(CN2CC[C@@](O)(CC#N)C2)s1 1261457951 FZQITUIXFFZTND-JTQLQIEISA-N 238.316 0.697 30 20 BCED CC[C@H](C#N)C(=O)N1CC[C@]2(CCOC2=O)C1 1262667765 DKHLSBUZSYXSGI-SKDRFNHKSA-N 236.271 0.702 30 20 BCED C#CCCN1CCN(c2ccnc(N)n2)CC1 1262682680 GJIJUOXRAWUKPG-UHFFFAOYSA-N 231.303 0.204 30 20 BCED C#C[C@H](C)OC(=O)COc1c(C)occc1=O 1263389454 XEXOLWVKWCBPOE-QMMMGPOBSA-N 236.223 0.892 30 20 BCED Cc1ccc(CNc2n[nH]cc2C#N)nn1 1308397836 UKKRFQKQSOBPJS-UHFFFAOYSA-N 214.232 0.992 30 20 BCED N#CCn1cc(NC(=O)Cc2cc[nH]n2)cn1 1318913161 KJPJUYIETZNLNM-UHFFFAOYSA-N 230.231 0.311 30 20 BCED Cn1ccc(NN=Cc2cccc(C(N)=O)c2)n1 1320686934 MCXORHRDPZUPJH-UHFFFAOYSA-N 243.270 0.965 30 20 BCED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccon1 1320895623 RFFQNAVBEKUXLQ-SSDOTTSWSA-N 236.231 0.374 30 20 BCED COC[C@H](C#N)OC(=O)c1ncoc1C 1320924493 KGASWHPEUWCDDE-ZETCQYMHSA-N 210.189 0.678 30 20 BCED C=C[C@@H](COC)NC(=O)Cn1cc(C)cn1 1321255159 LMFVCEXLTAJHOA-JTQLQIEISA-N 223.276 0.509 30 20 BCED C=C[C@H](COC)NC(=O)NC1CCN(C)CC1 1324020707 ALKHLUOZLSYNQU-SNVBAGLBSA-N 241.335 0.581 30 20 BCED C#CCN(CC1CC1)C(=O)C[C@H]1CCCC(=O)N1 1324315488 CJTCWYJOMZQXKL-GFCCVEGCSA-N 248.326 0.917 30 20 BCED CCCn1ncnc1Cn1cncc(C#N)c1=O 1325866965 QFPWNXBFMVXLBM-UHFFFAOYSA-N 244.258 0.165 30 20 BCED C[C@H](O)[C@@H]1CCN(C(=O)CCCC#N)C1 1326010575 MTGUVAZLCQRVPK-VHSXEESVSA-N 210.277 0.910 30 20 BCED C#CCOCCOC(=O)c1cncnc1C 1330618971 ROLKMICDVQNJJH-UHFFFAOYSA-N 220.228 0.592 30 20 BCED C=CCN(CC(=O)OCC)C(=O)C#CCOC 1331152605 KXGWBCHWDMEFPO-UHFFFAOYSA-N 239.271 0.214 30 20 BCED CC[C@@H](Cn1cnc2ncc(C#N)c(=O)n21)OC 1332216062 DTYIEIYDUIYCGJ-VIFPVBQESA-N 247.258 0.188 30 20 BCED CC[C@@H](C#N)C(=O)Nn1ccccc1=O 1332712443 WDSHMHJTTLTWEP-QMMMGPOBSA-N 205.217 0.468 30 20 BCED CC#CCn1nnnc1N1CC[C@@H](OC(C)C)C1 1334379045 ZYPMLSSHFQZGLR-LLVKDONJSA-N 249.318 0.700 30 20 BCED COC(=O)c1ccnc(NC[C@H](C)C#N)n1 1336542462 CKIFBHUBPTZGFD-SSDOTTSWSA-N 220.232 0.835 30 20 BCED C=C(Cl)Cn1nnnc1N1CC[C@H](F)C1 1337176535 XAXLSKPSCLIMJV-ZETCQYMHSA-N 231.662 0.974 30 20 BCED C=C[C@H](C)OC(=O)c1cc(=O)n(C)cn1 1342661730 ONEMUYZQDVZGTO-ZETCQYMHSA-N 208.217 0.512 30 20 BCED Cc1noc(C)c1Cn1cncc(C#N)c1=O 1343482312 AMMVDWRUSYVJTP-UHFFFAOYSA-N 230.227 0.768 30 20 BCED C#CCN(C)c1nnc(CO)n1CC1CC1 1345784404 HXEJOLSFAMFNMO-UHFFFAOYSA-N 220.276 0.250 30 20 BCED C=CC[C@@H](NC(=O)[C@@H](O)C(C)C)C(=O)OCC 1347490672 HTYSKVIOUYSDSC-ZJUUUORDSA-N 243.303 0.627 30 20 BCED C#CCOCCN(C)C(=O)c1cc(C=O)[nH]c1C 1349902048 MXRYBJHGPMTOPR-UHFFFAOYSA-N 248.282 0.857 30 20 BCED C=C[C@@H](O)C(=O)NCc1ccc(C)n1C 1356617751 FXBOJDWQOMAPCS-SNVBAGLBSA-N 208.261 0.497 30 20 BCED C[C@H](C#N)C(=O)NC1(CNC(=O)C2CC2)CC1 1358644779 ZGFOKORGSFFSRU-MRVPVSSYSA-N 235.287 0.321 30 20 BCED C=C(C)COCCNC(=O)N1CC(COC)C1 1520895548 LWMYNMPUXLMODA-UHFFFAOYSA-N 242.319 0.867 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](N)C1 1522327397 PJRZNTCVOUDQFN-USZNOCQGSA-N 238.331 0.821 30 20 BCED C#CCCCNC(=O)[C@]1(C)C[C@@H](N)CCO1 1574570068 XGQLFNUBSULAAE-JQWIXIFHSA-N 224.304 0.412 30 20 BCED C[C@@H]1C[C@@H](N)CN1c1cnc(C#N)c(C#N)n1 1576610686 DXMNVFCNGRHDKJ-HTQZYQBOSA-N 228.259 0.146 30 20 BCED N#Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)o1 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C#CCO[C@@H](C)C(=O)NCCNCC1CC1 1127046010 KHNKOQVNKXYHAR-JTQLQIEISA-N 224.304 0.141 30 20 BCED CSCC(=O)N[C@H]1CC[C@H](C)N(CC#N)C1 1131779136 AABYUMWIOLMXIO-UWVGGRQHSA-N 241.360 0.842 30 20 BCED C#CCCNCCNC(=O)[C@H]1CC[C@@H](C)O1 1134087823 DXWOGPMPWMZSSG-GHMZBOCLSA-N 224.304 0.283 30 20 BCED C=C(C)CNCCNC(=O)CCc1ncccn1 1135555732 DVPCZXIEVBRLCI-UHFFFAOYSA-N 248.330 0.691 30 20 BCED C=C(Cl)CNCCNC(=O)[C@H]1CCO[C@H]1C 1135781111 LYDAMNODWWKSIY-UWVGGRQHSA-N 246.738 0.870 30 20 BCED C#Cc1ccc(C(=O)NCCNCC2CC2)cn1 1148382984 MWQLDTQTTWYBFH-UHFFFAOYSA-N 243.310 0.792 30 20 BCED C=CCOCC(=O)NCCCNC[C@H](C)OC 1155707629 ONIDVCMPQVFGPD-NSHDSACASA-N 244.335 0.320 30 20 BCED C#CCCNCCCNC(=O)c1ccn(C)c1 1156547138 YAWAMFQUQAULSN-UHFFFAOYSA-N 233.315 0.758 30 20 BCED N#CCNCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1162833723 YTVQNWXTCAAGEC-LVEVGFFFSA-N 249.314 0.029 30 20 BCED CC#CCN[C@@H]1CCN(C(=O)[C@H](F)CC)C1 1184908787 IMJONDLHOFJSHN-GHMZBOCLSA-N 226.295 0.948 30 20 BCED COCC#CC(=O)N1C[C@@H](C)OC[C@@H]1C 1187128097 LPSLGPQVWUIGOY-VHSXEESVSA-N 211.261 0.272 30 20 BCED C=CCN1C[C@@H](O)[C@H](NC(=O)CC(C)(F)F)C1 1195949143 ZKMXGQCLSFAQFO-RKDXNWHRSA-N 248.273 0.379 30 20 BCED C=CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)CC)C1 1219515462 OLDLRPXQDCTSQI-UTUOFQBUSA-N 240.347 0.770 30 20 BCED N#CCN(CC#N)C(=O)c1cnc2n1CCC2 1261676136 ZDBVMOURKINBEC-UHFFFAOYSA-N 229.243 0.319 30 20 BCED C[C@H](CC#N)NC(=O)CCCS(C)(=O)=O 1318414121 DHRPXHDEGSLXOT-MRVPVSSYSA-N 232.305 0.230 30 20 BCED C=C[C@H](COC)NC(=O)Cc1cnn(C)c1 1320599179 ZAZCHRVTAHTTRK-SNVBAGLBSA-N 223.276 0.280 30 20 BCED C=CC[C@H](NC(=O)CC#N)C(=O)OCC 1320691574 CGMDXLMTZKBAMM-QMMMGPOBSA-N 210.233 0.524 30 20 BCED C[C@H](C#N)CN(C)C[C@H]1CCS(=O)(=O)C1 1321116813 DDKDEVFRJPVVLU-NXEZZACHSA-N 230.333 0.513 30 20 BCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C)on1 1321280367 WXBMIQHLCGIERT-SSDOTTSWSA-N 235.243 0.402 30 20 BCED C[C@H](CC#N)NC(=O)c1coc(C(N)=O)c1 1323859997 MNMOIZYFGUOGCW-ZCFIWIBFSA-N 221.216 0.410 30 20 BCED C[C@H](C#N)CNC(=O)C1(C#N)CCOCC1 1327642010 XNTCPXBZNKTEFK-SECBINFHSA-N 221.260 0.583 30 20 BCED C=C[C@H](COC)NC(=O)[C@@H]1CCc2cncn2C1 1328230164 FQBNQXMFZZUECE-GHMZBOCLSA-N 249.314 0.763 30 20 BCED C=C[C@@H](COC)NC(=O)c1cc(O)ncn1 1329978388 HWDWNTQDQCPHEZ-ZETCQYMHSA-N 223.232 0.113 30 20 BCED COCC#CC(=O)N[C@@H](C)Cn1cccn1 1330725467 SGARGUXJINQMLT-JTQLQIEISA-N 221.260 0.038 30 20 BCED C=C(CC)CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1332044821 RHYSZUBBRGCCLT-WDEREUQCSA-N 249.314 0.877 30 20 BCED CC1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332045634 QMTYNWWKZXGXOU-VHSXEESVSA-N 249.314 0.711 30 20 BCED O=C(NCC#CCO)N[C@H]1CCC[C@@H](F)C1 1332368014 KONAHSBTFUQZTK-ZJUUUORDSA-N 228.267 0.562 30 20 BCED Cn1cnnc1CCCNC(=O)C#CC1CC1 1332904540 CRYXBOAJMLNGPJ-UHFFFAOYSA-N 232.287 0.277 30 20 BCED C#CCN(C)c1nnnn1C[C@@H]1C[C@@H](C)O[C@@H]1C 1334506738 LNMOVZWYYWZTMK-MXWKQRLJSA-N 249.318 0.556 30 20 BCED C=CCCC[C@H](N)C(=O)NCC[C@H](C)NC 1335842644 MAWFJSNPZKJVQJ-QWRGUYRKSA-N 227.352 0.784 30 20 BCED COC(=O)C1CN(C(=O)C#CC(C)C)C1 1336253179 ARLINICQCKRMFC-UHFFFAOYSA-N 209.245 0.277 30 20 BCED Cn1ncc(C#N)c1N1CC[C@](O)(C2CC2)C1 1336908989 ZPHZPYKYSVSYAC-GFCCVEGCSA-N 232.287 0.643 30 20 BCED C#CCNC(=O)CCNCc1nncn1C(C)C 1338472836 FCLYOSXUQOHFHC-UHFFFAOYSA-N 249.318 0.088 30 20 BCED C[C@H](CCN)NC(=O)N1CCC[C@@H](C#N)C1 1338643125 FSQTXDZXOWXQOA-ZJUUUORDSA-N 224.308 0.669 30 20 BCED C=CCCOCC(=O)N1CC[C@@H](CCN)C1 1341235311 IHDINQBOKYGMBV-LLVKDONJSA-N 226.320 0.776 30 20 BCED N#CCC[C@@H](C#N)CN1CC[C@H](n2cncn2)C1 1343015442 ZRMZMHUIGITYDZ-RYUDHWBXSA-N 244.302 0.968 30 20 BCED N#CCCCC(=O)OCCc1cnc(O)nc1 1344736149 NXQDWTASKAWYKW-UHFFFAOYSA-N 235.243 0.962 30 20 BCED C=C(C)CONC(=O)C[C@H]1COC(=O)C1 1349643335 AGDCWZKNYJPMNL-MRVPVSSYSA-N 213.233 0.564 30 20 BCED N#CC[C@@]1(O)CCN(C(=O)CCCF)C1 1351034576 IQHSCRCGVUFZPD-SNVBAGLBSA-N 214.240 0.613 30 20 BCED COCC#CC(=O)N1CCOC[C@H]1C1CCC1 1351035628 SZUBJLHKYRYGGT-LBPRGKRZSA-N 237.299 0.664 30 20 BCED CCC(=O)N1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 1352946021 VUZRBPBGCHUYPD-DTWKUNHWSA-N 223.276 0.273 30 20 BCED CO[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](C#N)C1 1353565774 UKBJBTUOQZPNAV-OUAUKWLOSA-N 238.287 0.552 30 20 BCED C=CCCO[C@@H](C)C(=O)N1CC(C(=O)OC)C1 1353915516 OXZKMOQQCCHHGN-VIFPVBQESA-N 241.287 0.599 30 20 BCED Cn1cnc(C(=O)[C@H](C#N)c2ccccn2)n1 1515157559 BBCMKBWOMZDAAD-MRVPVSSYSA-N 227.227 0.700 30 20 BCED C#CCCOC(=O)Cn1cc(C(C)=O)nn1 1524380403 UCEJOOPKTPGYSI-UHFFFAOYSA-N 221.216 0.047 30 20 BCED C#Cc1cccc(CNC(=O)CCNC)c1 1573308067 YJXWITXSNRBUIY-UHFFFAOYSA-N 216.284 0.894 30 20 BCED CN(CCC(=O)O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1574007099 DFOHBGWEEYFFBO-DTWKUNHWSA-N 239.275 0.795 30 20 BCED CC(C)(C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2 1575081105 HEGFPYYBZIWIIY-HRDYMLBCSA-N 207.277 0.545 30 20 BCED CC(C)(C)[C@@H](CN)NCCOCCC#N 1575108221 MYGLJARCTSAUFJ-SNVBAGLBSA-N 213.325 0.880 30 20 BCED CC[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CNC[C@H]1C#N 1578227925 AYBQKCNWRFGKQZ-LMLFDSFASA-N 236.319 0.443 30 20 BCED N#Cc1ccc(C(=O)N2C[C@H]3CCNC[C@H]32)o1 1580064994 YBADFLPGVGHTNQ-PSASIEDQSA-N 231.255 0.585 30 20 BCED N#Cc1cnc(N[C@@H]2CNC[C@H]2O)c(Cl)c1 1580081137 UXULHDWGOCTPFN-RKDXNWHRSA-N 238.678 0.351 30 20 BCED C=C(C)C[C@H](CO)NC(=O)C1(C(=O)O)CCC1 1588441810 LSSQNBXJDPOCDG-SECBINFHSA-N 241.287 0.685 30 20 BCED C#Cc1ccc(CN[C@H](C(=O)O)[C@@H](C)O)cc1 1588517441 RZYKWSBDLURFDB-SKDRFNHKSA-N 233.267 0.592 30 20 BCED C=C(CC)CNS(=O)(=O)CC(C)(C)C(=O)O 1588606735 HOQQXRLFSVIVDF-UHFFFAOYSA-N 249.332 0.983 30 20 BCED C=CC[C@@H](C(=O)O)N1CCC[C@@H](CC(N)=O)C1 1588729498 KTCOACTZVKPYJN-UWVGGRQHSA-N 240.303 0.603 30 20 BCED C=CCNC(=S)N1C[C@@H](C(=O)O)O[C@H](C)C1 1588845362 JADSLQYEHSHCBO-SFYZADRCSA-N 244.316 0.221 30 20 BCED C=CCOC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1 1588850139 YZSYAKQCPWPIBM-BWZBUEFSSA-N 214.217 0.594 30 20 BCED C[C@H](C#N)C(=O)N1CC(F)(F)C[C@@H]1C(=O)O 1589323702 KOHFJZPKAZSSKV-PHDIDXHHSA-N 232.186 0.467 30 20 BCED CC(C)C#CC(=O)Nc1n[nH]cc1-c1nn[nH]n1 1589393973 DMDZRGLVQHJKBL-UHFFFAOYSA-N 245.246 0.188 30 20 BCED C[C@@H](CC#N)C(=O)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12 1592211655 MKFYUGFYGJXPJL-LRPJSKTQSA-N 236.271 0.762 30 20 BCED CN(CC(=O)O)C(=O)c1cc(C#N)ccc1F 1593719794 VTFTVIHJADHYGC-UHFFFAOYSA-N 236.202 0.854 30 20 BCED CON=CC(=O)N1CC[C@@H](C)[C@@H](C(=O)O)C1 1594042644 UGFJDWAVSXEMSQ-SFYZADRCSA-N 228.248 0.188 30 20 BCED COC[C@](C)(CC(=O)O)NC(=O)[C@@H](C)CC#N 1599145889 MTRGMFGMOAGWGJ-KWQFWETISA-N 242.275 0.532 30 20 BCED COCCN(C)N=C1CC(CC(=O)O)C1 1599232527 VVWKKAURKDDTPH-UHFFFAOYSA-N 214.265 0.805 30 20 BCED C#CCONC(=O)c1cc(-c2nn[nH]n2)oc1C 1602732202 ROLNLMMCMUIULN-UHFFFAOYSA-N 247.214 0.063 30 20 BCED C=C(CO)C(=O)N[C@H]1CCCCC[C@H]1C(=O)O 1602789257 WVCFOLIYPKRWID-ZJUUUORDSA-N 241.287 0.685 30 20 BCED C=C[C@H](CO)N[C@H](C(=O)O)[C@@H](C)CC 1602944815 IXCFNWXSFBVVHM-YIZRAAEISA-N 201.266 0.622 30 20 BCED COCC#CCOC(=O)C[C@H](C)CC(=O)O 1606771221 BFHQAGZVNYYVRS-SECBINFHSA-N 228.244 0.680 30 20 BCED C[C@](C#N)(CC(=O)O)C(=O)N[C@H]1[C@H]2CCC[C@H]21 1609693085 UEFHVHSFAKTLNN-UJYYTQATSA-N 236.271 0.906 30 20 BCED CC#CCN(C)CCNC(=O)[C@@]1(F)CCOC1 1753061075 AUCBMZUSJQSNEV-GFCCVEGCSA-N 242.294 0.186 30 20 BCED C#Cc1ccc(C(=O)NCCN(C)CC#N)nc1 1753071325 IIKNLBDUOXSUDL-UHFFFAOYSA-N 242.282 0.248 30 20 BCED C#CCN(C)CCNC(=O)CCc1cnn(C)c1 1753074190 CEBDAMHQRWFXFR-UHFFFAOYSA-N 248.330 0.034 30 20 BCED C=CCOCC(=O)NC[C@H]1CCN(CCF)C1 1753123900 QVYANEIQFRLTRU-LLVKDONJSA-N 244.310 0.597 30 20 BCED C#CCCCC(=O)N[C@@H](C)CCNCC#C 1753960606 DPNLCNOJOUBTGE-LBPRGKRZSA-N 220.316 0.908 30 20 BCED C=CCNC[C@@H](C)NC(=O)Cc1cc(C)on1 1754220273 CXGMNPOKMAQNRB-SECBINFHSA-N 237.303 0.806 30 20 BCED C=C(C)CCC(=O)N(C)C[C@@H](O)CNCCF 1755780322 CUUKMKHTFVOEOW-NSHDSACASA-N 246.326 0.721 30 20 BCED CC[C@@H](NN=Cc1cccnn1)C(=O)O 1776067050 OQIUPWUOPIONSO-MRVPVSSYSA-N 208.221 0.263 30 20 BCED CC[C@@H](NN=Cc1conc1COC)C(=O)O 1776067388 YUYKYNXYKKETGE-MRVPVSSYSA-N 241.247 0.608 30 20 BCED C#CCNC(=O)Cc1n[nH]c(=O)c2ccccc12 18837556 WIPGVRWHPJQUSU-UHFFFAOYSA-N 241.250 0.215 30 20 BCED N#CCNC(=O)CNc1ccc(F)cc1 20051959 USQNRGXMZMUFMC-UHFFFAOYSA-N 207.208 0.877 30 20 BCED CC[C@@H](CC#N)NCCCS(C)(=O)=O 38048007 XAJIOYIROKRLIE-VIFPVBQESA-N 218.322 0.703 30 20 BCED CC(C)N1CCN(c2nccnc2C#N)CC1 54379235 LRRJLJQMOIXWSB-UHFFFAOYSA-N 231.303 0.879 30 20 BCED CC(C)OCC(=O)n1ncc(C#N)c1N 60470919 BFRNWCGXCNIMDT-UHFFFAOYSA-N 208.221 0.402 30 20 BCED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCC#N 66870457 HDYWYJVGVDGITK-SECBINFHSA-N 244.320 0.168 30 20 BCED N#Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1 68235429 SHRRVLONQDARJW-JTQLQIEISA-N 229.239 0.775 30 20 BCED C=CCN(CC=C)S(=O)(=O)c1c[nH]cn1 69947710 UPVUMUQKVVYSDO-UHFFFAOYSA-N 227.289 0.772 30 20 BCED COCCN(CCC#N)[C@H]1CCS(=O)(=O)C1 70124895 YVDLWKRVRNRIPS-JTQLQIEISA-N 246.332 0.036 30 20 BCED CN1CCO[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1 85440774 RZYVXJBAEBLZHL-UWVGGRQHSA-N 239.319 0.371 30 20 BCED C#CCNCC(=O)Nc1cc(C)ccc1O 87049777 VVMIRTGQZFCMIZ-UHFFFAOYSA-N 218.256 0.862 30 20 BCED C[C@H]1COCCN1S(=O)(=O)CCCC#N 104111387 MVMOIBJZDVOZJU-VIFPVBQESA-N 232.305 0.341 30 20 BCED 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244.250 0.906 30 20 BCED Cn1cccc(NC(=O)NCCCC#N)c1=O 345250983 UVNAUILOSDWWOT-UHFFFAOYSA-N 234.259 0.811 30 20 BCED C=C[C@@H](C)NC(=O)N[C@H](CO)CCSC 352249168 GZYDVWKSPFXGPZ-BDAKNGLRSA-N 232.349 0.974 30 20 BCED CC#CCCNC(=O)Cc1cc(C)[nH]n1 354118392 KCVYSKFSPDCEFN-UHFFFAOYSA-N 205.261 0.790 30 20 BCED CN(C(=O)NCCCC#N)[C@@H]1CCC[C@H]1O 355091307 ZSSQKWJDDMKCGM-NXEZZACHSA-N 225.292 0.845 30 20 BCED C=C[C@H](CO)NC(=O)CCC1CCOCC1 356841339 UETCLOCRIPLJCO-LLVKDONJSA-N 227.304 0.856 30 20 BCED CC(C)OC(=O)CCNC(=O)[C@@H](C)C#N 357808488 VLTYWQFXJFOVAA-QMMMGPOBSA-N 212.249 0.604 30 20 BCED COC[C@@H](CNC(=O)NCCCCC#N)OC 358106012 XHYSHZVDOWPYDI-SNVBAGLBSA-N 243.307 0.641 30 20 BCED CCCN(C)CC(=O)N(CC#N)C1CC1 358603287 TYEFWJDFPSEMPJ-UHFFFAOYSA-N 209.293 0.843 30 20 BCED COCC[C@@H](CO)NC(=O)NCCCCC#N 358984627 CUMZPZOYCYAGIJ-JTQLQIEISA-N 243.307 0.377 30 20 BCED CC#CCCNC(=O)N[C@H](C)C[S@@](C)=O 361557954 UGUOKOBBDJBGPI-RFAUZJTJSA-N 230.333 0.466 30 20 BCED N#Cc1c(N[C@H]2CNC(=O)C2)nc2ccccn12 362651596 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0.993 30 20 BCED Cn1ncc(C=NNc2ccccn2)c1N 393918557 DMLSEUALGXOPLW-UHFFFAOYSA-N 216.248 0.843 30 20 BCED CC/N=C(/NCC)NC[C@H](OC)C1CC1 395541775 BDDOQBMUATYLMA-JTQLQIEISA-N 213.325 0.986 30 20 BCED C#CCNCC(=O)N1Cc2cccc(C#N)c2C1 405030907 BHEZNIIEYRNPMS-UHFFFAOYSA-N 239.278 0.623 30 20 BCED CC[C@H](NC(=O)NCCC#N)[C@@H](O)C(C)C 413498828 MVIALTQBSFLPLT-UWVGGRQHSA-N 227.308 0.995 30 20 BCED N#CCCC[C@@H](N)C(=O)NC[C@H]1CCCCO1 424105615 VRZAERWAHLYGQZ-GHMZBOCLSA-N 239.319 0.693 30 20 BCED C=CCN(C)C(=O)N[C@@H]1CC[S@](=O)C1 430354186 JZXGRTGAOAIFAY-CLAHSXSESA-N 216.306 0.335 30 20 BCED C=CCOCC(=O)N1CC[C@](C)(C(=O)NC)C1 431271157 WLURHFKWBLASRA-LBPRGKRZSA-N 240.303 0.174 30 20 BCED C=C(CC)CN1CCC[C@@H](O)[C@@H]1C(=O)OC 444733897 NEXVVHAXDSKVAY-GHMZBOCLSA-N 227.304 0.951 30 20 BCED C=C[C@H](C)NC(=O)N[C@@H]1CC(=O)N(CC)C1 454673273 NAOUWSAJUNYJNZ-DTWKUNHWSA-N 225.292 0.481 30 20 BCED C=CCC[C@H](CO)NC(=O)C1(C)COC1 456771750 VRFAAAFPVAFNJO-SECBINFHSA-N 213.277 0.466 30 20 BCED 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224.264 0.397 30 20 BCED CC#CCOC(=O)CCCCCS(N)(=O)=O 845194758 DCBNXASPYZGFFS-UHFFFAOYSA-N 247.316 0.402 30 20 BCED C=C[C@@H](C)ONC(=O)N1CC[C@H](CO)C1 845617458 DLJLRKDHILXQIX-BDAKNGLRSA-N 214.265 0.516 30 20 BCED C#CCCCC(=O)NC[C@H]1CC(=O)N(CC)C1 846465433 NLYPXMSBGHMKLT-LLVKDONJSA-N 236.315 0.775 30 20 BCED C=C(C)CONC(=O)C(=O)N1CCC[C@@H](C)C1 846535590 GCCXDWDJVQCKHX-SNVBAGLBSA-N 240.303 0.869 30 20 BCED C=C[C@@H](C)ONC(=O)CCCn1cncn1 846543668 AUHGKRKAAIRHAY-SECBINFHSA-N 224.264 0.681 30 20 BCED Cn1ncc2c(NCCC#N)nc(N)nc21 848691845 DLCISLDVBBEEOZ-UHFFFAOYSA-N 217.236 0.271 30 20 BCED C/N=C(/NCCN1CCOC[C@H]1C)NC1CC1 849003327 GGGYYXPVMZDYBX-SNVBAGLBSA-N 240.351 0.035 30 20 BCED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C=CCC1 849427368 FHUSKMGACZTFCN-ZJUUUORDSA-N 243.332 0.773 30 20 BCED Cn1ncc(C2CC2)c1C(=O)OCC#N 849922935 DEEFUJNQYTUHTP-UHFFFAOYSA-N 205.217 0.978 30 20 BCED C#CC[C@@H](OC(=O)[C@@H](COC)OC)C1CC1 850882527 QGSIAIUQTZLQPY-GHMZBOCLSA-N 226.272 0.993 30 20 BCED N#C[C@@]1(F)CCN(C[C@H]2CCC(=O)O2)C1 851973471 CGWHJFHFYLCVNH-SCZZXKLOSA-N 212.224 0.630 30 20 BCED C#CCOCCN1CCS(=O)(=O)CC[C@@H]1C 851986943 IWDXHITXQFAHSB-NSHDSACASA-N 245.344 0.145 30 20 BCED CO[C@@H]1CC[C@H](N2CC[C@](O)(CC#N)C2)C1 852205583 PBVKDUDBWWLUIU-QJPTWQEYSA-N 224.304 0.904 30 20 BCED C#CCOCCn1ccc2ccn(C)c2c1=O 853667999 SAOZPHNKHNSXKK-UHFFFAOYSA-N 230.267 0.990 30 20 BCED C[C@@H](C#N)OCCn1c(Cl)cncc1=O 853705483 RLOCSGWYNMYVNK-ZETCQYMHSA-N 227.651 0.825 30 20 BCED C#CCNC(=O)[C@H](CCC(C)C)NC(C)=O 854257091 GEEUCNYGMNDOAH-NSHDSACASA-N 224.304 0.677 30 20 BCED C=C[C@H](O)C(=O)N1CCO[C@@H](C(F)F)C1 854368115 LHKIOGGWOPSSES-NKWVEPMBSA-N 221.203 0.026 30 20 BCED COC[C@@H](C#N)OC(=O)C1(OC)CCC1 857067277 ITFHNTAKZPFVNX-MRVPVSSYSA-N 213.233 0.637 30 20 BCED CCOc1nc(C(=O)O[C@@H](C#N)COC)co1 857067718 PEFRXMMTQQVADD-ZETCQYMHSA-N 240.215 0.769 30 20 BCED C#CCN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)C1CC1 860840283 KLGBFESTBXOQHW-KOLCDFICSA-N 234.299 0.525 30 20 BCED C=C(C)[C@@H](CC(=O)NN1CCOC1=O)OCC 862702136 YSOPXKKNYIMEHQ-SECBINFHSA-N 242.275 0.841 30 20 BCED C#CC[C@H](CCOC)NC(=O)[C@@H](C)n1cccn1 863788203 KAZDQCMTKOHONX-VXGBXAGGSA-N 249.314 0.989 30 20 BCED C#CC[C@H](CCOC)NC(=O)COCC 863795069 ZNCZEVPQXHNRSP-SNVBAGLBSA-N 213.277 0.568 30 20 BCED CN(CC#N)C(=O)[C@@H]1CCCN(CC(F)F)C1 865068569 UARNVIXGKOIFCY-SECBINFHSA-N 245.273 0.945 30 20 BCED C#C[C@@H](CC)NC(=O)/C=C\CN1CCOCC1 867771649 BWISCLUCHZYHOA-FJOGCWAESA-N 236.315 0.403 30 20 BCED C#C[C@@H](NC(=O)[C@@H]1CCCNC1=O)C(C)(C)C 868370596 KMHFPCHNQJQFAE-NXEZZACHSA-N 236.315 0.677 30 20 BCED CON=CC(=O)NCC(=O)c1ccccc1C 869551797 XWSYFQJRTXZUJQ-UHFFFAOYSA-N 234.255 0.926 30 20 BCED C=CCC(F)(F)C(=O)N[C@@H]1COCC[C@H]1O 871191539 MZBICDJWEXMXSQ-HTQZYQBOSA-N 235.230 0.464 30 20 BCED C[C@H](CO)NC(=O)Nc1cc(CC#N)ccn1 871721179 ULZAMNUEVTVXGP-MRVPVSSYSA-N 234.259 0.650 30 20 BCED C(=NN1CCOCC1)c1cnc2[nH]cncc1-2 872328073 NRUFCVKDIUPGJO-UHFFFAOYSA-N 231.259 0.576 30 20 BCED COCCc1ncc(C=NNC[C@@H](C)O)s1 872377958 PKUTXCKXOJDNPT-MRVPVSSYSA-N 243.332 0.636 30 20 BCED NCC[C@H]1CCCN(C(=O)C#CC2CC2)C1 876838487 KTLYGGLZKMXWNL-GFCCVEGCSA-N 220.316 0.987 30 20 BCED C#CC[C@H]1NC(=O)N(CC[C@H](C)OC)C1=O 877881091 NTXLLAWZQGQGSZ-DTWKUNHWSA-N 224.260 0.355 30 20 BCED C[C@@H](NCC(=O)NCC#N)c1ccccc1O 879648234 FXPSKRKYTRSNOS-SECBINFHSA-N 233.271 0.683 30 20 BCED COc1nn(C)cc1C(=O)NCC(C)(C)C#N 883966926 ZUGLZEHOGQXKCS-UHFFFAOYSA-N 236.275 0.708 30 20 BCED C[C@H]1NCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1 884273328 NIPXFFLNHIGDEU-PSASIEDQSA-N 232.287 0.757 30 20 BCED N#Cc1ccc(C(=O)N[C@@H]2CC23CCNCC3)[nH]1 884291999 NXUAUIWTUGHAKZ-LLVKDONJSA-N 244.298 0.758 30 20 BCED CON=CC(=O)NCCN1CCC(C)(C)C1 890072505 VYOKJFNLZFWWOG-UHFFFAOYSA-N 227.308 0.467 30 20 BCED C#CC1(O)CN(C(=O)N[C@H](CC)C2CC2)C1 895807633 QPTJHGSOBHOHNS-SNVBAGLBSA-N 222.288 0.565 30 20 BCED C#CCSCC(=O)N1CCC[C@H](CCO)C1 897225191 HEGGPGGCUWVFKJ-LLVKDONJSA-N 241.356 0.974 30 20 BCED C#CC(=O)N[C@H](CO)Cc1ccc(O)cc1 897833709 VSGBFDZMEXEQOQ-JTQLQIEISA-N 219.240 0.045 30 20 BCED C#CCSCC(=O)N1CCN(CC#N)CC1 900777588 SDQQAMGYHHWFMH-UHFFFAOYSA-N 237.328 0.021 30 20 BCED O[C@@H]1CCCC[C@H]1NN=Cc1cc[nH]n1 901339446 SVACFAIIHLSBJQ-NXEZZACHSA-N 208.265 0.637 30 20 BCED CCCCN(O)C(=O)c1ccc(C(N)=O)[nH]1 904214632 HGZJOISMNUIWPK-UHFFFAOYSA-N 225.248 0.745 30 20 BCED CN(CCC#N)C[C@H](O)CNC[C@H]1C=CCC1 905409792 MRIRDZRUYZAMAJ-QWHCGFSZSA-N 237.347 0.749 30 20 BCED CN(CCC#N)C(=O)c1c2c(nn1C)CCC2 906398822 MMHOTSKKXLXIJR-UHFFFAOYSA-N 232.287 0.894 30 20 BCED C=C[C@@H](CC)CC(=O)N[C@@H](COC)C(=O)O 907648204 DGYAYSUSZNPUQP-IUCAKERBSA-N 229.276 0.805 30 20 BCED C#CCC[C@H](O)CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 907977816 KSFILBXJUPLUQM-GAIPPQHRSA-N 235.283 0.102 30 20 BCED C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C)O 908651243 ARIQWDRAZVQYKY-VHSXEESVSA-N 225.288 0.894 30 20 BCED C#CC[C@H](NC(=O)[C@H](OC)[C@@H](C)CC)C(=O)O 910047108 YIXCLXFYVNBAMH-LPEHRKFASA-N 241.287 0.640 30 20 BCED C=C(C)C[C@H](NC(=O)CN(C)CCC)C(=O)O 910287729 RZOOZSDCUDZCEP-JTQLQIEISA-N 242.319 0.864 30 20 BCED C=C1CN(C(=O)CCCC(=O)N(C)C)C1 912448005 OKXMIENWTMYYTP-UHFFFAOYSA-N 210.277 0.643 30 20 BCED O=S1(=O)CCC(=NNc2cnccn2)C1 912962238 MZOAYXBWKFXGRH-UHFFFAOYSA-N 226.261 0.063 30 20 BCED Cc1nscc1C(=O)NCC#CCN(C)C 913520154 FWIXKBMVANUWCO-UHFFFAOYSA-N 237.328 0.746 30 20 BCED CS(C)(=O)=NC(=O)c1c[nH]c(C#N)c1 913642821 ZQHRGJQZXSCDCQ-UHFFFAOYSA-N 211.246 0.754 30 20 BCED CC(=O)OCCn1cc(C#N)ccc1=O 917837902 RAYWETSFTMXMFP-UHFFFAOYSA-N 206.201 0.283 30 20 BCED CCCCNC(=O)COC(=O)C(C)(C)C#N 919350185 MVCNESKIILBPTJ-UHFFFAOYSA-N 226.276 0.996 30 20 BCED Cc1occc1C(=O)NCC(=O)O[C@H](C)C#N 919479373 IMHSVQGAWLCLTA-SSDOTTSWSA-N 236.227 0.773 30 20 BCED C=CCCOCC(=O)OCC(=O)NCC1CC1 920725515 JZUVQIWTCYHXCD-UHFFFAOYSA-N 241.287 0.649 30 20 BCED C#CCCCNC(=O)N[C@H](C)C1(CO)CC1 920746095 OTVIQTTYKACNTL-SNVBAGLBSA-N 224.304 0.860 30 20 BCED C=CCN(C)C(=O)NCCCc1nc[nH]n1 923136878 FHPKERDQXZTLMO-UHFFFAOYSA-N 223.280 0.565 30 20 BCED C#CC[C@@H]1NC(=O)N(Cc2cnccc2C)C1=O 927507717 MILBVRIWNZWILU-NSHDSACASA-N 243.266 0.834 30 20 BCED C=C[C@H](CO)N[C@H](C(=O)OC)[C@H](C)CC 931066523 HGDWEZYWKPKZPQ-BBBLOLIVSA-N 215.293 0.711 30 20 BCED Cc1nc(NC(=O)N2CCC[C@@H](C#N)C2)nn1C 931525548 FPQUOTQOHTVHFS-VIFPVBQESA-N 248.290 0.891 30 20 BCED C#CCN(C[C@H](O)CN(C)CC)C(C)C 932388059 SKEDDJMUEYJVES-GFCCVEGCSA-N 212.337 0.643 30 20 BCED C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H]1CO 934027293 JMFZWEBJNTVVPT-VXGBXAGGSA-N 238.331 0.642 30 20 BCED CC(=O)NC1(C)CCN(C(=O)[C@H](C)C#N)CC1 956255310 RTGVLJSJAGLZSS-SECBINFHSA-N 237.303 0.663 30 20 BCED CC#CCN1C[C@H]2[C@H](NC(=O)C(F)F)[C@H]2C1 958001438 FNERVJGWYPQGGT-BRPSZJMVSA-N 228.242 0.321 30 20 BCED C=C(C)CN1C[C@@H]2C(NC(=O)c3ccon3)[C@H]2C1 958284606 GGBGKXPNVBQKHW-UWVGGRQHSA-N 247.298 0.911 30 20 BCED C#CCN1C[C@@H]2C(NC(=O)C3=CCOCC3)[C@H]2C1 958646454 FLVZOKOXEBABFE-RYUDHWBXSA-N 246.310 0.013 30 20 BCED CC1CC(C(=O)N[C@@H](C)C2CN(CC#N)C2)C1 969474737 BTXSXESWTRHIBL-YVNMAJEFSA-N 235.331 0.993 30 20 BCED C#CCN(C)[C@H]1CCN(C(=O)c2ccns2)C1 971622733 XXERPQXYXMOUJQ-JTQLQIEISA-N 249.339 0.923 30 20 BCED C#CCN1C[C@@H]2C(CNC(=O)c3ccco3)[C@H]2C1 977743961 XKIHZPSOMYUSOM-VXGBXAGGSA-N 244.294 0.820 30 20 BCED CC#CCN1CCCN(C(=O)CSC)CC1 980669403 SHDLVJLVVDPTDF-UHFFFAOYSA-N 240.372 0.907 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1C 985913515 ANLDCJQGGRUKKB-WDEREUQCSA-N 244.298 0.302 30 20 BCED C#CCN[C@H]1CCN(C(=O)c2cccnn2)[C@H]1C 987234153 JLDTWGIOXJBFSF-QWRGUYRKSA-N 244.298 0.302 30 20 BCED Cc1nonc1C(=O)N1CCCN(CC#N)CC1 989793116 JVVDDIVVSMENMS-UHFFFAOYSA-N 249.274 0.050 30 20 BCED CN(C(=O)c1ccccn1)C1CC(NCC#N)C1 998360273 VGRNLGAAISGKPJ-UHFFFAOYSA-N 244.298 0.798 30 20 BCED C#CCN[C@H]1C[C@@H](NC(=O)c2cnn(CC)c2)C1 1021907440 MRYKBNSZPKCHAJ-TXEJJXNPSA-N 246.314 0.387 30 20 BCED C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029198898 ZNGSVVXLTYKXHY-YFKTTZPYSA-N 233.315 0.841 30 20 BCED CC#CCN1CC(NC(=O)[C@H]2C[C@@H]2C)C1 1030077666 CAQXCNWKPFYIIQ-ONGXEEELSA-N 206.289 0.466 30 20 BCED N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 1032695844 JNHPBRCMAKQIHJ-IUCAKERBSA-N 248.311 0.565 30 20 BCED CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C1CN(CC#N)C1 1044111384 FIIWUERUXQNBRE-RYUDHWBXSA-N 235.331 0.945 30 20 BCED C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCOC2)C1 1046177513 JONDHPBOBXOVOU-DGCLKSJQSA-N 238.331 0.790 30 20 BCED C=CCN[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C 1054946378 MQGGSYSMUPGBTH-NXEZZACHSA-N 235.287 0.911 30 20 BCED C=CCOCC(=O)N1CC(N(CC)C(C)=O)C1 1079170495 OWQWLOMLUWWNCB-UHFFFAOYSA-N 240.303 0.268 30 20 BCED C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC 1082968532 BOPGAXWEGKVADQ-WDEREUQCSA-N 224.304 0.494 30 20 BCED C=CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCO1 1085466518 WYJFAKXIIIFMOU-NWDGAFQWSA-N 238.331 0.884 30 20 BCED CC(=O)N[C@]12CCC[C@H]1CN(CC#N)C2 1098663934 JEICYASQMHSKGS-QWRGUYRKSA-N 207.277 0.501 30 20 BCED C=CCCCC(=O)N[C@H]1CCN(CC)C[C@@H]1O 1099973779 JCUFOMHVKQCUFZ-RYUDHWBXSA-N 240.347 0.914 30 20 BCED CC#CC(=O)N1CC[C@@H](C)S(=O)(=O)CC1 1116926401 LCHDEPOYTUIWQL-SECBINFHSA-N 229.301 0.045 30 20 BCED CC[C@@H](C#N)C(=O)N1CCC(O)(COC)CC1 1118244650 IGSRPPRJHBSUJY-JTQLQIEISA-N 240.303 0.536 30 20 BCED C=C[C@H](CO)NC(=O)NCC1(C(=O)O)CCC1 1121835992 BACGBDHMJWDAQY-MRVPVSSYSA-N 242.275 0.087 30 20 BCED C=C(CC)C(=O)N[C@H](C)C[S@@](C)=O 1123686497 NUJPTRGVMCGNKX-AMIZOPFISA-N 203.307 0.836 30 20 BCED C=C(CC)C(=O)N1CCN(C)C[C@H]1CO 1123932107 GAVBTUBDWQGXIW-JTQLQIEISA-N 212.293 0.088 30 20 BCED CC(C)NC(=O)CNC(=O)c1ccc(C#N)n1C 1124475178 VOTNYJWCKRICOG-UHFFFAOYSA-N 248.286 0.151 30 20 BCED C=CCCCNCCNC(=O)COCCOC 1124941996 QZDRMBLQHQRFAK-UHFFFAOYSA-N 244.335 0.321 30 20 BCED C=C(C)CNCCNC(=O)Cc1cc[nH]n1 1125141563 RXAXWCIIOKZTME-UHFFFAOYSA-N 222.292 0.234 30 20 BCED Cc1nc(C)c(C(=O)NCCNCC#N)o1 1125209288 QLFNVUHTTVBFSE-UHFFFAOYSA-N 222.248 0.134 30 20 BCED C=CCNCCNC(=O)c1cccc2nn[nH]c12 1128055052 INRHENJVJYWPAS-UHFFFAOYSA-N 245.286 0.463 30 20 BCED CC#CCNCCNC(=O)[C@H](CCC)OCC 1132632179 LYXCVZPROXYWGG-LBPRGKRZSA-N 240.347 0.921 30 20 BCED C[C@@H]1CC[C@H](C(=O)NCCNCC#N)C1 1134738185 IWAKVAYXHUMDAQ-ZJUUUORDSA-N 209.293 0.652 30 20 BCED C[C@@H](C[C@@H](C)NC(=O)c1cccnn1)NCC#N 1135740282 ZQTCEFNQJUVMOX-VHSXEESVSA-N 247.302 0.487 30 20 BCED C#CCNCCNC(=O)C[C@H](C)n1cccn1 1147130764 GNMLMSAGESSJHP-NSHDSACASA-N 234.303 0.173 30 20 BCED N#CCSCC(=O)NCCCNCCCF 1154802218 ASLSJVALLCJLFU-UHFFFAOYSA-N 247.339 0.699 30 20 BCED C#CCNCCCNC(=O)c1coc(CC)n1 1156917691 YWZVDZVULRCJOV-UHFFFAOYSA-N 235.287 0.580 30 20 BCED CC#CCNCCCNC(=O)c1coc(CC)n1 1156936632 NADSNFCTHONXGL-UHFFFAOYSA-N 249.314 0.970 30 20 BCED N#CCNCCCNC(=O)c1cnc(C2CC2)o1 1160166262 FULWWIHYQBDBKR-UHFFFAOYSA-N 248.286 0.785 30 20 BCED C#CCCNCCCNC(=O)c1conc1C 1165684287 AICPUDGIDWRXHD-UHFFFAOYSA-N 235.287 0.716 30 20 BCED C=C(C)CCC(=O)N1C[C@@H](CO)[C@H](CO)C1 1167958813 HPJQSSNAYWGOBZ-QWRGUYRKSA-N 227.304 0.402 30 20 BCED C#CCNCCCNC(=O)C[C@@H](C)COC 1169798261 JQQHHWGESJSAHA-LLVKDONJSA-N 226.320 0.388 30 20 BCED N#C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)CCO1 1185209936 SBINMCUIHMCYER-VIFPVBQESA-N 247.254 0.917 30 20 BCED C=CCNC[C@@H]1CN(C(=O)C2CC2)CCCO1 1199633418 JFJCIXYEGLZRJK-GFCCVEGCSA-N 238.331 0.790 30 20 BCED CN(C[C@H]1CCN1CC#N)C(=O)C(C)(F)F 1230599372 NIPWTKLGFDYNEU-MRVPVSSYSA-N 231.246 0.698 30 20 BCED CC#CCCCC(=O)NCc1nc(=O)o[nH]1 1254997693 SVLJNRMRVKZKQP-UHFFFAOYSA-N 223.232 0.173 30 20 BCED CCn1cnnc1S(=O)(=O)CCCCC#N 1318361526 GXDLJWXUFWKGDL-UHFFFAOYSA-N 242.304 0.766 30 20 BCED CC(=O)NCCc1noc(C(C)(C)C#N)n1 1320332744 JDDFBVJXBQEBHR-UHFFFAOYSA-N 222.248 0.549 30 20 BCED CC(C)[C@H](C#N)NC(=O)CCc1nc[nH]n1 1320404590 DCJONXUXMBZEEE-QMMMGPOBSA-N 221.264 0.402 30 20 BCED C=C[C@H](COC)NS(=O)(=O)N1CC[C@H](C)C1 1320581413 KYCYOOAUPBYFBR-VHSXEESVSA-N 248.348 0.364 30 20 BCED C#CCOCCN(C)CC(OC)OC 1321576648 COFXZENCJYDZIP-UHFFFAOYSA-N 201.266 0.187 30 20 BCED C#CCN(CC#N)C(=O)c1cc(CC)n(C)n1 1321636753 ZANORDARMLLJMZ-UHFFFAOYSA-N 230.271 0.581 30 20 BCED CC#CCCNC(=O)C(=O)NC[C@H]1CC1(C)C 1323448955 VVJPDEMERPLDHV-SNVBAGLBSA-N 236.315 0.678 30 20 BCED C=CC1CCN(C(=O)C(=O)N(C)OC)CC1 1325058355 IAIGKQQFZGQMBE-UHFFFAOYSA-N 226.276 0.431 30 20 BCED N#CCCOCCOC(=O)CCc1nc[nH]n1 1326257532 HKWUWKGKZIZILK-UHFFFAOYSA-N 238.247 0.211 30 20 BCED CC(=NN1CC(=O)N(C)C1=O)c1cnc[nH]1 1327649037 QXUMWTQFVSJVEP-UHFFFAOYSA-N 221.220 0.028 30 20 BCED COCC#Cc1nnc([C@H]2CCO[C@@H]2C)o1 1327882360 TXLJIFAKRWJXIY-BDAKNGLRSA-N 222.244 0.960 30 20 BCED Cc1nc([C@H](C)NC(=O)NC[C@H](C)C#N)n[nH]1 1329118066 CNIMUXSIZYRMKN-RQJHMYQMSA-N 236.279 0.633 30 20 BCED C=CC[C@H]1NC(=O)N(CCn2ccnc2C)C1=O 1332843209 GYBSULRQDHWQCG-SNVBAGLBSA-N 248.286 0.688 30 20 BCED C#CCCCC(=O)N1CCC(O)(CO)CC1 1334553378 JJAAQZLTKWHTCF-UHFFFAOYSA-N 225.288 0.136 30 20 BCED COC[C@@H](C#N)OC(=O)c1ccn(C)c(=O)c1 1337664062 DOUJTFVUXRMACB-SECBINFHSA-N 236.227 0.081 30 20 BCED C#CCCn1nnnc1N(C)CCCCCO 1344494695 OXFKNWDNXZMOMY-UHFFFAOYSA-N 237.307 0.295 30 20 BCED C=C(CC)C(=O)N1CC[C@@H](NC(N)=O)C1 1347089895 DOBDRQLCTLXBTR-MRVPVSSYSA-N 211.265 0.222 30 20 BCED C=C[C@H](C)ONC(=O)C(=O)Nc1cnsn1 1349572900 LLNSYCLEWAGQEF-YFKPBYRVSA-N 242.260 0.099 30 20 BCED C=C(CC)C(=O)N1CCC(Cc2nn[nH]n2)CC1 1350336861 MTOFHOUWIVEBSX-UHFFFAOYSA-N 249.318 0.947 30 20 BCED C=C(C)CCNC(=O)NCC(C)(CO)CO 1351179957 PAGFDHUYGQLFFW-UHFFFAOYSA-N 230.308 0.243 30 20 BCED Cc1noc(C(=O)N2CCN(CCC#N)CC2)n1 1351791906 XEJGLHXESWFMPR-UHFFFAOYSA-N 249.274 0.050 30 20 BCED C=C(C)C(C)(C)C(=O)N(C)c1nn[nH]n1 1353526574 BSQDIZCILPXYGB-UHFFFAOYSA-N 209.253 0.765 30 20 BCED C#CCCCn1nnnc1N1CC[C@@](C)(O)C1 1355584345 MEWAQEPHBDPFGL-LLVKDONJSA-N 235.291 0.048 30 20 BCED C#CC[C@@H](NC(=O)c1cc[nH]c1C)C(=O)OC 1358307498 UIYCISKFPMZVFO-SNVBAGLBSA-N 234.255 0.618 30 20 BCED Cn1cccc1C(=O)Cn1cc(C#N)nn1 1473038564 GNUBPXMTBIGQQD-UHFFFAOYSA-N 215.216 0.371 30 20 BCED CCC[C@H](NC(=O)c1cc(C#N)[nH]c1C)C(N)=O 1556525274 MQHGOQPPBYXWMA-JTQLQIEISA-N 248.286 0.579 30 20 BCED C#CC[C@@H](COC)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1573317401 AKACGWULUYGZFG-PTRXPTGYSA-N 239.271 0.252 30 20 BCED CN(CCCC(=O)O)C[C@@H](O)CC1(C#N)CC1 1574007265 DHPGHMJHAYKDQW-JTQLQIEISA-N 240.303 0.838 30 20 BCED C[C@@H](C#N)OCCN1C2CCC1(CN)CC2 1575051678 QUNLBDBJLPUDNP-UNXYVOJBSA-N 223.320 0.871 30 20 BCED CC(C)(C)[C@H](CN)NCCOCCC#N 1575108216 MYGLJARCTSAUFJ-JTQLQIEISA-N 213.325 0.880 30 20 BCED CC1(C)[C@@H](N)C[C@@H]1Nc1cnc(C#N)c(C#N)n1 1576380297 NMPBTAVUDJWJRK-UWVGGRQHSA-N 242.286 0.758 30 20 BCED CCO[C@@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@H]1CN 1578155493 MJHZGMNBKPQQNO-QNWHQSFQSA-N 237.347 0.974 30 20 BCED Cc1[nH]nc(NC(=O)C[C@H](N)C(F)F)c1C#N 1579838622 CDDUVOFWEKLNCI-LURJTMIESA-N 243.217 0.511 30 20 BCED Cc1nc(C#N)cc(N[C@H]2C[C@H]3CC[C@@H]2N3)n1 1579845560 ZRVXAHKDBMQUBD-MIMYLULJSA-N 229.287 0.962 30 20 BCED N#Cc1n[nH]cc1NC(=O)c1cnn(CCF)c1 1588215357 UNXNTPYQOMCPKH-UHFFFAOYSA-N 248.221 0.700 30 20 BCED C#CC[C@H](CO)N[C@H]1CC[C@@H](C(=O)O)C1 1588396320 VSXKCOILLODTGN-KXUCPTDWSA-N 211.261 0.214 30 20 BCED C#CCSCC(=O)NC[C@@H](C(=O)O)C(C)C 1588433340 PCJRMOFYWQDVIL-SECBINFHSA-N 243.328 0.826 30 20 BCED C=CC[C@H]1CCN1[C@@H]1CCN(CC(=O)O)C1=O 1588457020 GLWJOQNMZANGPY-VHSXEESVSA-N 238.287 0.322 30 20 BCED C=C[C@@](C)(O)CC(=O)NC1(C(=O)O)CC1 1588684619 VMOFCCQRGCUDAQ-SECBINFHSA-N 213.233 0.047 30 20 BCED C=CC[C@@H](C(=O)O)N1CCn2nccc2C1 1588732212 WHTGDTYYVJTZKO-JTQLQIEISA-N 221.260 0.728 30 20 BCED CC(C)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1589394224 YJAPAUSNGYLQRP-UHFFFAOYSA-N 245.246 0.160 30 20 BCED CCC(C#N)(CC)C(=O)NC[C@@](C)(O)C(=O)O 1589426989 VWHWIPBBUSPOSC-SNVBAGLBSA-N 242.275 0.268 30 20 BCED CCN(C(=O)[C@@H]1C[C@@H]1C#N)[C@@H](C)C(=O)O 1589705866 QFLMEAUTXNCBCA-XLPZGREQSA-N 210.233 0.468 30 20 BCED CON=Cc1ccc(-c2nn[nH]n2)c(OC)c1 1591467885 ZOEFJLFUBBYCSV-UHFFFAOYSA-N 233.231 0.856 30 20 BCED C[C@@H](/C=C\C(=O)O)NC(=O)c1ccc(C#N)o1 1592207137 XQMDVOJBPOQGRT-KVFVURRZSA-N 234.211 0.910 30 20 BCED CCCOC(=O)[C@H](C)N(CC#N)CCC(=O)O 1595936520 FSCPSUYNMOTTAA-VIFPVBQESA-N 242.275 0.628 30 20 BCED Cc1cc(NC(=O)COCC(=O)O)ncc1C#N 1600256952 YHXDVDHVYBNVDJ-UHFFFAOYSA-N 249.226 0.301 30 20 BCED C#CC[C@H](CCOC)NC(=O)[C@@H](C)C(=O)O 1602674688 AICKSCXVEBRKKU-RKDXNWHRSA-N 227.260 0.252 30 20 BCED C#CC1(O)CN(Cc2ccc(C(=O)O)cc2F)C1 1602676851 KQTUVKKROOKSCN-UHFFFAOYSA-N 249.241 0.704 30 20 BCED C=C[C@H](O)C(=O)NCCc1ccc(C(=O)O)cc1 1602820526 ICILOZUTZBFEJC-NSHDSACASA-N 249.266 0.590 30 20 BCED CO[C@](C)(C(=O)O)C(=O)OC[C@H](C)C#N 1604462148 OEYITENAJMZPPR-HZGVNTEJSA-N 215.205 0.179 30 20 BCED C[C@@H]1OCC[C@H]1CN(CC#N)CC(=O)O 1604836100 VJLUACPRRPBYTG-IUCAKERBSA-N 212.249 0.322 30 20 BCED C=CCOC[C@H](NC[C@@H]1CCCOC1)C(=O)O 1609452616 RXBGAILYHMSXKG-QWRGUYRKSA-N 243.303 0.658 30 20 BCED CC#CC(=O)N(C)[C@H](COC(C)C)C(=O)O 1609489198 VTCZUYGBXAZIHV-SECBINFHSA-N 227.260 0.346 30 20 BCED C[C@](C#N)(CC(=O)O)C(=O)O[C@H]1CCOC1 1609692919 FJFFWFOOWZKGNR-OIBJUYFYSA-N 227.216 0.323 30 20 BCED CN(C(=O)c1sccc1C#N)c1nn[nH]n1 1617641918 HHOOLLGQMRSOFS-UHFFFAOYSA-N 234.244 0.409 30 20 BCED Cc1n[nH]c(NC(=O)c2cccnn2)c1C#N 1633101629 NLQHVZKJQIRMPQ-UHFFFAOYSA-N 228.215 0.632 30 20 BCED COc1ccc(CN=c2cc[nH]c(C#N)n2)nc1 1655430435 LEZNXVOWHBVKFU-UHFFFAOYSA-N 241.254 0.786 30 20 BCED N#Cc1cnnc(NCc2cccc(N)n2)c1 1655889526 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C=CCNC(=O)CNCc1c[nH]c(C(=O)O)c1 1573367792 AKBQCDIYVAZORF-UHFFFAOYSA-N 237.259 0.105 30 20 BCED N#CCC1(O)CN([C@@H](C(=O)O)c2ccccc2)C1 1574240920 BPTHXUSREFXHEX-LLVKDONJSA-N 246.266 0.773 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H](N)CC1 1574959909 KHJJENLRSTUECJ-KXNHARMFSA-N 238.331 0.964 30 20 BCED C[C@H](C#N)CNC(=O)NC[C@H]1C[C@@H](N)C1 1575050911 GGLFGTBFOVPBTJ-HLTSFMKQSA-N 210.281 0.183 30 20 BCED C[C@@H](CC#N)C(=O)NC1([C@@H]2CCNC2)CC1 1575913295 UWWNCHICJKKCFT-VHSXEESVSA-N 221.304 0.794 30 20 BCED C#C[C@H](C)Nc1cc(-c2nn[nH]n2)ncn1 1588326122 FDVYXKICINTIJJ-LURJTMIESA-N 215.220 0.090 30 20 BCED C#CCN(CC(=O)O)C(=O)c1ccn(C(C)C)n1 1588419012 MDSZXEMPWRGQCC-UHFFFAOYSA-N 249.270 0.624 30 20 BCED C#CC[C@@H](NC[C@H](OC)C1CC1)C(=O)O 1588422982 SQHACCKINTUEBH-ZJUUUORDSA-N 211.261 0.478 30 20 BCED C=C[C@@](C)(O)C(=O)N(CCC)CC(=O)O 1588450950 IOSQNFHQFPINJL-SNVBAGLBSA-N 215.249 0.247 30 20 BCED C=CCCN(C)c1ccc(-c2nn[nH]n2)c(N)n1 1588602908 CAPSVMLBMQPVKS-UHFFFAOYSA-N 245.290 0.856 30 20 BCED C=C[C@](C)(O)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)O 1588684258 NZBIQHQIMFMFFZ-LAEOZQHASA-N 245.250 0.337 30 20 BCED C=CC[C@H](C(=O)O)N1CC[C@](F)(CO)C1 1588729250 OZXOVMIOUCWVQR-PSASIEDQSA-N 217.240 0.422 30 20 BCED C=CC[C@H](SCC(=O)NC)C(=O)O 1588759087 OULKJQDJHPSDIG-LURJTMIESA-N 203.263 0.495 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)CC(=O)O 1588916477 OLBGHEOTQHPNQA-YIZRAAEISA-N 228.244 0.984 30 20 BCED CC(C)OC[C@@H](C(=O)O)N(C)C[C@H](O)CC#N 1591712366 RIIDPYUOYZILQF-ZJUUUORDSA-N 244.291 0.071 30 20 BCED CCN(CC(=O)O)C[C@@H](O)c1cccc(C#N)c1 1596224851 FJZIMWJCKPIZGO-GFCCVEGCSA-N 248.282 0.998 30 20 BCED CCc1nc(C#N)cc(NC[C@H](F)C(=O)O)n1 1597646969 PGMAMVCBLSQQJX-ZETCQYMHSA-N 238.222 0.745 30 20 BCED Cc1oc(C=NNC2=NCCN2)cc1C(=O)O 1600838554 VKMKIQGTBFOHGU-UHFFFAOYSA-N 236.231 0.169 30 20 BCED N#CCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 1601061310 SVOVQIHIQOLXKQ-XAVMHZPKSA-N 222.244 0.516 30 20 BCED C#CCCCCC(=O)O[C@@H](C)C(=O)C(=O)O 1602702734 HNDBEECUFUUTLX-QMMMGPOBSA-N 226.228 0.765 30 20 BCED C[C@@H](CNC(=O)Nc1ccc(C#N)cn1)C(=O)O 1604178957 QNKVWPOGGMFAME-ZETCQYMHSA-N 248.242 0.795 30 20 BCED N#Cc1c[nH]c(C(=O)O[C@@H](C(=O)O)C2CC2)c1 1608195206 IANGBRKIDKGOHC-SECBINFHSA-N 234.211 0.906 30 20 BCED C[C@H](CC=NNC1CCOCC1)C(=O)O 1609737610 DFRKWNZZEKWULK-MRVPVSSYSA-N 214.265 0.852 30 20 BCED C[C@H](CO)N(C)C(=O)c1ccc(C#N)n1C 1635297095 GMZJJDAHRWSQPU-MRVPVSSYSA-N 221.260 0.350 30 20 BCED CC(C)C#CC(=O)NCCN(C)C[C@@H](C)O 1753047807 BUTBLAAPISXIAL-LLVKDONJSA-N 226.320 0.075 30 20 BCED C#CCO[C@@H](C)C(=O)NCCN(C)CCF 1753049335 YSVJHBYZBCSCFE-JTQLQIEISA-N 230.283 0.042 30 20 BCED Cc1ncccc1C(=O)N(C)[C@@H](C)CNCC#N 1753709661 CKFTVBNTHQOHCK-JTQLQIEISA-N 246.314 0.964 30 20 BCED C=CCNCC[C@@H](C)NC(=O)c1cnccn1 1753940314 DBSSAVOFJYSHDV-SNVBAGLBSA-N 234.303 0.761 30 20 BCED C#CCNC1(CNC(=O)[C@@H](F)C(C)C)CC1 1754529188 ZXXRKFLGRABSPF-JTQLQIEISA-N 226.295 0.852 30 20 BCED C=C(CO)CN1CC[C@@H](C(=O)O)C12CCC2 1776141971 GYJCWUSUDJCMQH-JTQLQIEISA-N 225.288 0.864 30 20 BCED COC(=O)C#Cc1cccnc1N1CCNCC1 1898220770 OHTGDSJGQLUUGT-UHFFFAOYSA-N 245.282 0.016 30 20 BCED CONC(=O)COc1ccc(C#N)cc1OC 11166293 XDPLLEWIZJJTTP-UHFFFAOYSA-N 236.227 0.623 30 20 BCED C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C(N)=O 17700986 TYUIUHGNTCYIPD-XDZJJNIASA-N 237.215 0.593 30 20 BCED CN(C)CCCNC(=O)CSCC#N 41749983 OCWIBNDOXPVKGN-UHFFFAOYSA-N 215.322 0.311 30 20 BCED N#CCN1CCN(C(=O)C2CCCC2)CC1 46511981 RYMPPRFECBVGBS-UHFFFAOYSA-N 221.304 0.844 30 20 BCED C#CC(=O)N1CCN(Cc2ccccc2)CC1 82266438 YPYAHMNYYXGACC-UHFFFAOYSA-N 228.295 0.964 30 20 BCED CCOC(=O)CNC(=O)C1(C#N)CCC1 83795609 FXFJJTQELDMFHR-UHFFFAOYSA-N 210.233 0.360 30 20 BCED CN1CCN(C(=O)C2(C#N)CCCCC2)CC1=O 84203335 YAYJXWLKBUSZGY-UHFFFAOYSA-N 249.314 0.761 30 20 BCED CC(C)(C#N)CCN1CCC[C@@H]1C(N)=O 87595123 RNCIDZHWBPKPRC-SECBINFHSA-N 209.293 0.876 30 20 BCED C#CCNCC(=O)NCc1ccc(F)cc1F 92493326 MPTBOZNURIUEKC-UHFFFAOYSA-N 238.237 0.804 30 20 BCED N#C[C@H](C(=O)CN1CCOCC1)c1ccccn1 123825723 XBSCELIBYQELAL-NSHDSACASA-N 245.282 0.590 30 20 BCED C#CCN(CC1CC1)C(=O)NCCC(=O)O 130531857 NBJJNXFAIAGAOW-UHFFFAOYSA-N 224.260 0.516 30 20 BCED COCCN(CCO)c1cccc(C#N)n1 135515369 NQVRDTLCXGFVLA-UHFFFAOYSA-N 221.260 0.398 30 20 BCED N#Cc1ccncc1N1CC[C@H](CO)C1 135897645 BBHCRGTUSWENEY-VIFPVBQESA-N 203.245 0.772 30 20 BCED CC(C)(C)OC(=O)NCCC(=O)NO 139489306 MSUNUIUITMXBCU-UHFFFAOYSA-N 204.226 0.407 30 20 BCED C=CCCOCCNC(=O)[C@@H](C)CC(=O)OC 155216548 XVUWEYFFQGYAJO-JTQLQIEISA-N 243.303 0.895 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)Cc1cccc(C)c1 170673089 WEVVSCWAGOBBCP-NSHDSACASA-N 230.267 0.992 30 20 BCED C=CCOC(=O)[C@@H]1CCCN1S(C)(=O)=O 170710691 AZRDKBNYXDETCG-QMMMGPOBSA-N 233.289 0.140 30 20 BCED C[C@H]1CS(=O)(=O)CCN1CCCC#N 172630733 IWOULAVCLUINCP-VIFPVBQESA-N 216.306 0.409 30 20 BCED C=CCCCC(=O)N1CCO[C@@H](C(N)=O)C1 175485278 SJFMQIDATPQNNY-SECBINFHSA-N 226.276 0.055 30 20 BCED C#CCN1CCN(C2=NC[C@H](C)S2)CC1 175804843 KNEFJWSSPHFNCG-JTQLQIEISA-N 223.345 0.729 30 20 BCED C#CCCCNS(=O)(=O)N(C)CCC 178353779 VUBIDOXZYYNLOS-UHFFFAOYSA-N 218.322 0.576 30 20 BCED C[C@H](C#N)CNC(=O)[C@@H](O)c1ccccc1 179214467 DYFLCMMPJIQHGZ-KOLCDFICSA-N 218.256 0.996 30 20 BCED O=C(C#Cc1ccccc1)N[C@]1(CO)CCOC1 185247718 KUOPDCOKHGOVRD-AWEZNQCLSA-N 245.278 0.306 30 20 BCED C#C[C@H](C)NC(=O)c1ccc(C(N)=O)s1 185375099 YZABWIGKVFDHLY-LURJTMIESA-N 222.269 0.599 30 20 BCED C#C[C@H](C)NC(=O)NCc1ccncc1 186087681 YIAGBWLCLOHBGU-VIFPVBQESA-N 203.245 0.903 30 20 BCED C=C(C)CS(=O)(=O)N1CCO[C@H](C#N)C1 189597653 YMLAGXSRMUZQTI-SECBINFHSA-N 230.289 0.117 30 20 BCED C#CCCCC(=O)N[C@@H]1CCCCNC1=O 192170559 TXIHNNRGCYXHKF-SNVBAGLBSA-N 222.288 0.575 30 20 BCED C#C[C@@H](C)NS(=O)(=O)C[C@H]1CCCCO1 193514071 SXOFPEPWBGWPJU-NXEZZACHSA-N 231.317 0.497 30 20 BCED C#CCN(C)C(=O)Nc1cnn(CCOC)c1 193720559 BUVAEGIOMSAQQY-UHFFFAOYSA-N 236.275 0.626 30 20 BCED C=CCSCCNC(=O)c1c[nH]nn1 194477954 QMPBEBHPNJILHN-UHFFFAOYSA-N 212.278 0.454 30 20 BCED C#CCCCCC(=O)NC[C@]1(O)CCO[C@H]1C 228716353 UAYZAXQIPNHEQJ-WCQYABFASA-N 239.315 0.836 30 20 BCED N#Cc1ccncc1NCC(F)(F)CO 231780267 CXFSWXPCDCZGAI-UHFFFAOYSA-N 213.187 0.993 30 20 BCED C=CCCNC[C@H](O)COCCOC 234718886 RPBJEUPQUYMNCG-JTQLQIEISA-N 203.282 0.176 30 20 BCED N#Cc1c(F)cccc1N1C[C@H](O)[C@@H](O)C1 236614172 VOBKDYLFMDWARK-QWRGUYRKSA-N 222.219 0.239 30 20 BCED C=CCOCCCC(=O)N(C)[C@H](C)CN 237598084 MYDYVJBTPLPRKB-SNVBAGLBSA-N 214.309 0.775 30 20 BCED CC(C)COC[C@@H](O)CN1CCOC[C@H]1C#N 246481506 GQKHKGRBVJRMGP-NEPJUHHUSA-N 242.319 0.244 30 20 BCED Cc1nnc([C@@H](C)N2CCO[C@@H](C#N)C2)o1 246920816 ALHGMTZTMPRMER-APPZFPTMSA-N 222.248 0.663 30 20 BCED CN1CCC[C@@H](N(C)c2cc(C#N)ncn2)C1 258723853 GNXMQQSREBEVFO-LLVKDONJSA-N 231.303 0.879 30 20 BCED Cn1ccc(CC/N=C(/N)NCC2CCC2)n1 262359572 IIZUGOQCPLOFNI-UHFFFAOYSA-N 235.335 0.667 30 20 BCED CN1CCN/C1=N\C[C@@H]1CCCCN1C1CC1 262419834 BBCXWUJCZJFCRJ-LBPRGKRZSA-N 236.363 0.894 30 20 BCED C[C@H]1CN/C(=N/CCn2cnc3ccccc32)N1 262630220 FMNBDCVSYGMYIC-JTQLQIEISA-N 243.314 0.974 30 20 BCED C=C1CCN(C(=O)c2cnc(C(=O)O)cn2)CC1 263244601 FXURTRUMJMLFLR-UHFFFAOYSA-N 247.254 0.967 30 20 BCED CCc1cc(C(=O)N2CCN(CC#N)CC2)[nH]n1 266640077 CALQJWUUUKGUSC-UHFFFAOYSA-N 247.302 0.253 30 20 BCED COC(=O)[C@@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 267122066 ARNKHHAGKMZSIT-JTQLQIEISA-N 247.254 0.664 30 20 BCED C#CC(C)(C)NC(=O)[C@H](C)NC(=O)OC 270670166 QGJMLVIVULKIHL-ZETCQYMHSA-N 212.249 0.259 30 20 BCED CC[C@@H](CC#N)NC(=O)c1cc(C)nc(O)n1 273866288 NIISFFYWSHUTEP-QMMMGPOBSA-N 234.259 0.913 30 20 BCED Cn1ccc(/C=C/C(=O)N2CCOC[C@H]2C#N)c1 277109126 RDTYGBNYEDZSPT-QAVQXKDTSA-N 245.282 0.789 30 20 BCED Cc1cc[nH]c1C(=O)N1CCOC[C@H]1C#N 280685458 RAPMPSXPKVPNEE-SECBINFHSA-N 219.244 0.688 30 20 BCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)COC 281353549 KKZQRXUJRYGJGV-GXSJLCMTSA-N 213.277 0.730 30 20 BCED C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCCC#N 282820858 UXJUXEPGTSFXRD-BDAKNGLRSA-N 238.291 0.114 30 20 BCED Cc1ccc(C(=O)NCC#CCO)n1C 282931460 OVJMCUNOVPCEQC-UHFFFAOYSA-N 206.245 0.059 30 20 BCED C=CCCN1CCC[C@@](O)(Cn2ccnn2)C1 284524733 JERXGCNLZLDHHT-LBPRGKRZSA-N 236.319 0.681 30 20 BCED C=CCN(CC=C)C(=O)c1ncn(C)n1 290436266 WKYSTXHWJTVRBR-UHFFFAOYSA-N 206.249 0.629 30 20 BCED C=C[C@@H](CO)NC(=O)COc1cccnc1 290668655 SJDFBNGZNNSOCW-VIFPVBQESA-N 222.244 0.124 30 20 BCED C=CCNC(=O)[C@H](C)S(=O)(=O)CC1CC1 290972996 OXVPGFSGTABVQQ-QMMMGPOBSA-N 231.317 0.502 30 20 BCED C=CCN(CCC#N)S(=O)(=O)C[C@H](C)OC 292790706 WUWSNYRVXNRZEN-JTQLQIEISA-N 246.332 0.753 30 20 BCED CC#CCN(C)C[C@@](C)(O)C(=O)OCC 293261185 UMBLBXURLFSMEQ-LLVKDONJSA-N 213.277 0.256 30 20 BCED CC#CCN(C)C(=O)[C@@]1(O)CCSC1 294660827 UVLKUDBHGBIVOQ-SNVBAGLBSA-N 213.302 0.336 30 20 BCED C[C@@H]1CN(C(=O)C#Cc2ccccc2)CC(=O)N1 296993104 LQZFNQUAFJBTIA-LLVKDONJSA-N 242.278 0.385 30 20 BCED C=CCNC(=O)NC1CCN(CC)CC1 298561303 LCCDSMRRFUQSFW-UHFFFAOYSA-N 211.309 0.956 30 20 BCED C#CCN(CC#N)C(=O)c1cccc(F)n1 300839083 JDKJDURJVYRKFZ-UHFFFAOYSA-N 217.203 0.820 30 20 BCED C#C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C 300850551 FFSCNYVNKHYQOK-NXEZZACHSA-N 243.328 0.195 30 20 BCED Cc1nc(C#N)cc(N(C)CCN(C)C)n1 308194333 QVWRYJMBGAFPDE-UHFFFAOYSA-N 219.292 0.655 30 20 BCED C[C@H](C#N)OCCN[C@H](C(=O)O)C1CC1 308801183 MQBUEDNSICKKCE-APPZFPTMSA-N 212.249 0.368 30 20 BCED C#C[C@@H](CCC)NS(=O)(=O)c1ncc[nH]1 308870567 SBXNWAREWHSOCE-QMMMGPOBSA-N 227.289 0.490 30 20 BCED COC(=O)[C@H]1CCCN1C(=O)c1ccc(C#N)o1 311232262 UENHNGNKPYVUQT-SECBINFHSA-N 248.238 0.929 30 20 BCED N#Cc1ccc(CN[C@@H]2COC[C@H]2O)c(F)c1 323218161 XWHGYVCXCQMJCH-VXGBXAGGSA-N 236.246 0.547 30 20 BCED C[C@@H]1OCC[C@]1(C)/N=C(/O)c1cnnn1C 328686480 YHOKBLZBRUFGHY-XVKPBYJWSA-N 224.264 0.687 30 20 BCED Cc1cnc(C/N=C(/O)[C@@H]2COCCN2C)o1 328955077 IRHZDXXGRDEDRF-VIFPVBQESA-N 239.275 0.770 30 20 BCED C=CCC[C@H](O)CN(C)[C@@H]1COC[C@H]1O 330598521 DLFIPDUSEMFHIB-HBNTYKKESA-N 215.293 0.005 30 20 BCED N#CCCCS(=O)(=O)N1CC[C@H](CCO)C1 331207266 UQRWGGYEFRHLFC-SNVBAGLBSA-N 246.332 0.324 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCC[C@@H](CO)C1 331210781 XYLARSOYQXKAFJ-PWSUYJOCSA-N 227.304 0.544 30 20 BCED C[C@@](O)(CNC(=O)c1ccnc(C#N)c1)C1CC1 331821053 ICDWHOZDTSIEEM-CYBMUJFWSA-N 245.282 0.844 30 20 BCED C[C@H](C#N)C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 332669904 BKALOHKMWCCZPR-OUAUKWLOSA-N 237.303 0.078 30 20 BCED N#C[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)C1CC1 332876853 ASTRORKHGZGYQN-JFGNBEQYSA-N 220.272 0.831 30 20 BCED C[C@H]1CO[C@H](C)CN1C(=O)NCCC#N 334850595 NFWMUKXMPACTFJ-DTWKUNHWSA-N 211.265 0.719 30 20 BCED C[C@H](C#N)C(=O)N1CC(NC(=O)C2CCC2)C1 335340756 VPZKPKAXSZFAQO-MRVPVSSYSA-N 235.287 0.273 30 20 BCED N#CCC1(O)CN(C(=O)[C@H]2CC=CCC2)C1 335883014 MPGFQFABTFIHGZ-JTQLQIEISA-N 220.272 0.830 30 20 BCED Cc1cc(NC(=O)N[C@@H](C)CC#N)nn1C 336261245 HIWHNEYQCDLKNZ-ZETCQYMHSA-N 221.264 1.152 30 20 BCED CCCN(CC(N)=O)c1cc(C#N)ccn1 336650814 DXIJJLGTJADXMI-UHFFFAOYSA-N 218.260 0.655 30 20 BCED CCN(C[C@@H](C)C#N)C[C@@H](O)Cn1cccn1 336702790 AJKJPJQGQFEONK-NWDGAFQWSA-N 236.319 0.726 30 20 BCED CC#CCN(C)Cc1nnn(CC(F)(F)F)n1 339750237 BRGFTUNBNVUVPE-UHFFFAOYSA-N 247.224 0.691 30 20 BCED C=C[C@H](C)NC(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21 342240075 WHIFKBVQOFFGGT-GUBZILKMSA-N 237.303 0.481 30 20 BCED CCOC1CC(C(=O)N[C@@](C)(C#N)COC)C1 342661758 KRTPKRAFCSVEQU-CBINBANVSA-N 240.303 0.846 30 20 BCED C[C@H](CC(N)=O)NC(=O)c1cccc(CC#N)c1 343458300 CCOGPVUECXJHOQ-SECBINFHSA-N 245.282 0.746 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1CCC1 346393801 CRONBJDUPPYIOI-VXGBXAGGSA-N 238.331 0.790 30 20 BCED C=CCOCC(=O)NCc1nncn1C(C)C 351991070 PKPGARCWLKKRPL-UHFFFAOYSA-N 238.291 0.678 30 20 BCED CN(C)C(=O)CN1CCC(F)(C#N)CC1 352468616 UBLCCYYVWABFTI-UHFFFAOYSA-N 213.256 0.402 30 20 BCED C=CCOCC(=O)N1CC[C@@H]2CNC[C@H]2C1 353367633 CSMLGXFJQKHOSE-MNOVXSKESA-N 224.304 0.257 30 20 BCED C=CCCCC(=O)NC[C@@H](O)[C@@H]1CCOC1 355542546 KEACXZSIKMMJEU-GHMZBOCLSA-N 227.304 0.856 30 20 BCED CN1C(=O)CC[C@@H]1C(=O)NCCCC#N 355907869 XONPKIUVRSIEKK-MRVPVSSYSA-N 209.249 0.027 30 20 BCED C=CCN(C)C(=O)C(=O)c1cccn1C 356483116 JSYMCWKHPVEEHO-UHFFFAOYSA-N 206.245 0.852 30 20 BCED C=C[C@H](CO)NC(=O)[C@@H]1[C@H](C)C1(F)F 356827626 DFDHRILVFVMAQC-XVMARJQXSA-N 205.204 0.551 30 20 BCED C=CCOCC(=O)NCCSCC(=O)OC 357319687 LQFKOXFSCRHVFA-UHFFFAOYSA-N 247.316 0.211 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1CCCC[C@H]1C(N)=O 362477720 XJGHQUXZQDLFFI-HLTSFMKQSA-N 223.276 0.306 30 20 BCED C=CCNC(=O)c1ccc(=NCCC#N)[nH]c1 362665376 DEWVHVPWRMCZLA-UHFFFAOYSA-N 230.271 0.745 30 20 BCED C#C[C@@H](C)NC(=O)[C@@]1(C)CCN(C(C)=O)C1 376910393 JTFYNQCQZQZFPE-SKDRFNHKSA-N 222.288 0.383 30 20 BCED C#CCN[C@@H](C1CC1)[C@]1(CO)CCCO1 378718388 DHBRHENCWSXWEI-NWDGAFQWSA-N 209.289 0.529 30 20 BCED C#C[C@H](NCc1ccno1)[C@@H]1CCCO1 380110483 RSYJTCKBHUOPIN-QWRGUYRKSA-N 206.245 0.945 30 20 BCED C#C[C@@H](CC)NC(=O)c1cc(C(=O)O)no1 382056618 BPOFQJDAVPPXNP-LURJTMIESA-N 222.200 0.514 30 20 BCED O=C(O)C1CC(=NNc2ncc(F)cn2)C1 382333447 XHCRYQCZEVLRQL-UHFFFAOYSA-N 224.195 0.878 30 20 BCED CC1(C)[C@H](O)C[C@H]1Nc1cc(C#N)ncn1 390509055 YFJCJAQREJMDCA-RKDXNWHRSA-N 218.260 0.920 30 20 BCED CS(=O)(=O)[C@@H]1CCCC(=NNCC(=O)O)C1 393262054 SFZSNRYCUHTUIZ-MRVPVSSYSA-N 248.304 0.004 30 20 BCED CN(c1cncc(C#N)n1)[C@H]1CCCOC1 401431598 UXHGGYRXKNWCJA-JTQLQIEISA-N 218.260 0.963 30 20 BCED C[C@@H](CC#N)NC(=O)[C@H]1CCc2cnn(C)c2C1 407957135 XYTJLUKHLLWGPV-UWVGGRQHSA-N 246.314 0.943 30 20 BCED N#CCC(=O)N1CC[C@@]2(C[C@H](O)CCO2)C1 409434870 QZTWPJPKPPAQJX-MWLCHTKSSA-N 224.260 0.042 30 20 BCED CCN1CCN(C(=O)[C@]2(C#N)C[C@H]2C)[C@H](C)C1=O 410731347 OXXPDOQECUTXJR-BREBYQMCSA-N 249.314 0.615 30 20 BCED C=C(C)CN1CCC[C@H]1C(=O)NCC(=O)OC 419341714 AWLKQRWKYIKXAB-JTQLQIEISA-N 240.303 0.316 30 20 BCED C=CCN1CC[C@H](N2CC[C@H]3CNC[C@H]3C2)C1=O 420321466 VHEGFPOMABMFNK-AVGNSLFASA-N 249.358 0.315 30 20 BCED N#CCCNC(=O)c1ccc(-n2ccnn2)cc1 427623424 VYNOZRHAYSBSJD-UHFFFAOYSA-N 241.254 0.911 30 20 BCED CNC(=O)[C@@]1(C)CCN(C(=O)NCCC#N)C1 430937339 BBQCXIRQZWFQTK-NSHDSACASA-N 238.291 0.068 30 20 BCED C[S@](=O)C1(CNC(=O)NCCCC#N)CC1 441081410 SKRLXGLODIHNKW-INIZCTEOSA-N 243.332 0.500 30 20 BCED CCC(C)(C)OCC(=O)N1CCO[C@@H](C#N)C1 457545455 RNNJCOYJKIJWLU-JTQLQIEISA-N 240.303 0.943 30 20 BCED C#C[C@H](CC)NC(=O)NCCCNC(C)=O 491485217 NEMIDVIEXJJFFP-SNVBAGLBSA-N 225.292 0.224 30 20 BCED C#C[C@H](CCC)NC(=O)Cn1cc(C(C)=O)nn1 491556690 YQVDTXAEDCJVAJ-SNVBAGLBSA-N 248.286 0.399 30 20 BCED C#CCN(C(=O)CCN1CCOC1=O)C1CC1 491654857 GWTSOKIQIDJTNB-UHFFFAOYSA-N 236.271 0.453 30 20 BCED C#CCN(c1nc(O)c2cnn(C)c2n1)C1CC1 491704661 HXZOTHMLTLYMQE-UHFFFAOYSA-N 243.270 0.671 30 20 BCED C#C[C@H](CCC)NC(=O)Cn1cccnc1=O 491730654 PGRGUYMRCKKZGH-SNVBAGLBSA-N 233.271 0.161 30 20 BCED C=CCN(CC=C)C(=O)[C@@H]1NC(=O)O[C@H]1C 495903453 MUSFLFWDOALQRK-DTWKUNHWSA-N 224.260 0.684 30 20 BCED C[C@@H](C#N)OCCN1CCN2C(=O)OC[C@H]2C1 496779856 CFPKUKYBHXOXNZ-VHSXEESVSA-N 239.275 0.051 30 20 BCED C#CCCCC(=O)N1CCN(C(=O)OC)CC1 497133537 QQAPPOVUHZFVLQ-UHFFFAOYSA-N 238.287 0.701 30 20 BCED C[C@@H](C#N)CNC(=O)NCCC[C@@H](C)CO 541016692 FLHCJOLADSLVBJ-ZJUUUORDSA-N 227.308 0.854 30 20 BCED Cc1cc(C(=O)Cn2cnc(C#N)c2C#N)on1 547941039 NEUJMAQEEIYIRD-UHFFFAOYSA-N 241.210 0.806 30 20 BCED N#Cc1cccc(CN[C@]2(C(N)=O)CCOC2)c1 563359349 VNCKLFMBEGUJTK-CYBMUJFWSA-N 245.282 0.292 30 20 BCED C=CC[C@H](CO)CNC(=O)N[C@@H](C)C[C@@H](C)N 569808570 WJZQVRRBPHDZMV-VWYCJHECSA-N 243.351 0.596 30 20 BCED Cc1cc(C(=O)NCC2(C#N)CC2)ncn1 570583444 DLSCMGAEWWVNQA-UHFFFAOYSA-N 216.244 0.819 30 20 BCED N#Cc1ccc(NC[C@@H](O)C2CC2)nc1N 572015075 JVBCVOPVIRICIP-SECBINFHSA-N 218.260 0.718 30 20 BCED COC[C@@H](O)CNCCc1cccc(C#N)c1 575982290 PPHIVULITQLFMN-ZDUSSCGKSA-N 234.299 0.698 30 20 BCED Cc1nnsc1C(=O)NC1(C#N)CC1 580612007 MNWXQJOSIDKMSS-UHFFFAOYSA-N 208.246 0.633 30 20 BCED C=CCOCCCn1c(=O)ccn(C)c1=O 581918952 VIQNHESBLLISLG-UHFFFAOYSA-N 224.260 0.140 30 20 BCED Cc1cnccc1CC(=O)NCC#CCO 582752458 VEMQVQNMJXPFKJ-UHFFFAOYSA-N 218.256 0.044 30 20 BCED Cc1ccc(C#CCN2CCCC2=O)nn1 585145212 IAYRAXDQFWSUGL-UHFFFAOYSA-N 215.256 0.759 30 20 BCED COCC#CCOc1ccn(C)c1C(=O)OC 585728461 RQUMWVVVJWTSQZ-UHFFFAOYSA-N 237.255 0.840 30 20 BCED N#Cc1cccc(C(=O)NCCCCC(N)=O)n1 589474697 PPZKLJHKWXJABN-UHFFFAOYSA-N 246.270 0.339 30 20 BCED CN(C)[C@@H](C(=O)N1CC(C#N)C1)c1cncn1C 590492111 QLTDNMHBCGFOHT-LLVKDONJSA-N 247.302 0.005 30 20 BCED C[C@@H](CO)Nc1nc(C#N)c(Cl)s1 590570536 WXIHRBWZMSGWOC-BYPYZUCNSA-N 217.681 1.461 30 20 BCED Cc1nc(=NC(=O)N2CCC[C@@](C)(C#N)C2)o[nH]1 590825430 PNDDEPQECAEFRG-NSHDSACASA-N 249.274 0.958 30 20 BCED Cc1[nH]nc(C(=O)NCC2(C#N)CCC2)c1O 591323022 NQNJVTVOVDFAHR-UHFFFAOYSA-N 234.259 0.847 30 20 BCED CCC#C[C@H](C)N1C[C@@H](O)C[C@H](C(=O)OC)C1 592200921 WUYOCERLPSMCKC-SRVKXCTJSA-N 239.315 0.644 30 20 BCED COC1(C(=O)N2CC[C@](O)(CC#N)C2)CCC1 592847609 NQKLLLRFQHVHPL-LLVKDONJSA-N 238.287 0.433 30 20 BCED CC[C@H](C#N)C(=O)NCCC(=O)OC(C)C 593392845 NOQQQGIUYOEZIM-SECBINFHSA-N 226.276 0.994 30 20 BCED N#Cc1nc(NC(=O)C[C@H]2CCCO2)[nH]c1C#N 593894131 UKGZHTCORREOKI-SSDOTTSWSA-N 245.242 0.661 30 20 BCED C[C@@H]1CN(c2cc(C#N)cnn2)[C@H](C)CN1C 596177123 DZFREFOFKXKWHA-NXEZZACHSA-N 231.303 0.877 30 20 BCED COC(=O)c1nccc(N2CC(C)(C#N)C2)n1 596219777 WCGOEBINJIHLCW-UHFFFAOYSA-N 232.243 0.613 30 20 BCED CCN1C[C@@H](CNc2cc(C#N)cnn2)CC1=O 596292965 NTFBVYIUZCCRAR-SNVBAGLBSA-N 245.286 0.629 30 20 BCED C=C[C@H](O)C(=O)N[C@H](CC)C(=O)OC(C)(C)C 597392134 SBRPZGLNTATLAM-BDAKNGLRSA-N 243.303 0.770 30 20 BCED CC[C@H](C)CCNC(=O)Cn1cnc(C#N)n1 597980087 YRYPDYOKADSRKS-VIFPVBQESA-N 235.291 0.702 30 20 BCED C[C@@H](C#N)N(C(=O)CN1CCCC1=O)C1CC1 598127995 WSWMZDCWFFKJEO-VIFPVBQESA-N 235.287 0.512 30 20 BCED CN(C[C@H]1C[C@@H](O)C1)C(=O)NCC1(C#N)CC1 602305999 JZHXVSVVGNLTRT-AOOOYVTPSA-N 237.303 0.702 30 20 BCED C[C@H](CC#N)N(C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 609143144 VRNZGACCOWZKOC-NXEZZACHSA-N 249.314 0.758 30 20 BCED CC(C)NS(=O)(=O)N1CCC[C@](C)(C#N)C1 612153049 GNHHHEJHTJXNQI-SNVBAGLBSA-N 245.348 0.855 30 20 BCED C=C[C@H](O)C(=O)N[C@H](CC)C[C@@H](C)CO 612513531 RKZSCBQENRVQDJ-BBBLOLIVSA-N 215.293 0.447 30 20 BCED C=C[C@@](C)(O)C(=O)N1CC[C@H](O)C(C)(C)C1 613800038 WQARFPLBMAIALB-JOYOIKCWSA-N 227.304 0.543 30 20 BCED C=C[C@@H](O)C(=O)NCc1ccc(NC(C)=O)nc1 614172758 TXGSZFHRVIPEEE-SNVBAGLBSA-N 249.270 0.203 30 20 BCED C=CCN(C(=O)[C@@H](C)CC(N)=O)[C@H](C)COC 617581949 CCFZFSSRCUPPTO-VHSXEESVSA-N 242.319 0.547 30 20 BCED COCC#CCN1CCCC[C@@H]1CNC(C)=O 626158217 MCRRFCQDXNVMQC-CYBMUJFWSA-N 238.331 0.627 30 20 BCED C=CCNC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2 631855549 LXCGMHDUVINJRQ-MXWKQRLJSA-N 223.320 0.113 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@H](C)c1cnccn1 636128136 VKUQLIBRSKDRGF-SKDRFNHKSA-N 235.287 0.981 30 20 BCED N#Cc1n[nH]cc1NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 637431624 BXMKLGCRLDKESF-XLPZGREQSA-N 244.254 0.835 30 20 BCED C=C(C)CCn1cc(Cn2cc(CN)cn2)nn1 641069435 IDQOWUCRRPIADI-UHFFFAOYSA-N 246.318 0.948 30 20 BCED C=C[C@H](O)C(=O)NCc1nc(C)cs1 646612106 HPGZOZTXUNPSKC-ZETCQYMHSA-N 212.274 0.615 30 20 BCED CC#CC[C@H](CO)NC(=O)CN(CC)C1CC1 649185084 XFALXIDWLZRWML-LLVKDONJSA-N 238.331 0.361 30 20 BCED C=CCCn1cc(CN(C)[C@@H]2CCNC2=O)nn1 653592553 FTOADPUQFJCNJO-LLVKDONJSA-N 249.318 0.175 30 20 BCED C=CCOCCNC(=O)N[C@@H]1CCN[C@H](C)C1 669555150 CCIXPIZOUJOJCX-GHMZBOCLSA-N 241.335 0.629 30 20 BCED C=CCOCC(=O)N1CCc2c[nH]nc2C1 676788529 ULYOBXURWXTPQU-UHFFFAOYSA-N 221.260 0.497 30 20 BCED C=CC[C@H](CC)NC(=O)C(C)(C)C(N)=O 684988444 WKFFTMPYVMEEII-QMMMGPOBSA-N 212.293 0.969 30 20 BCED C#C[C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C 700579836 LGHJRXOAUIMKBB-WCBMZHEXSA-N 210.277 0.285 30 20 BCED C#C[C@](C)(CC)NC(=O)[C@H]1CC(=O)N(C)C1 700615374 CEPPVYQMRNRHHH-JOYOIKCWSA-N 222.288 0.383 30 20 BCED C#CC[C@H](CO)NC(=O)c1ncccc1Cl 717830486 OYMMBPGGZPYCGF-MRVPVSSYSA-N 238.674 0.849 30 20 BCED C#CCC[C@@H](O)CNC(=O)C(C)(C)F 717952705 HZORYZAJHDDNQR-MRVPVSSYSA-N 201.241 0.625 30 20 BCED N=C(N)NN=Cc1nccn1CC(F)(F)F 727687835 QEKGSJMIPWZKPT-UHFFFAOYSA-N 234.185 0.262 30 20 BCED C#CCNC(=O)N1CCO[C@@H](C(F)(F)F)C1 740466375 ZJDRAODXYRDDNJ-SSDOTTSWSA-N 236.193 0.592 30 20 BCED CCC(=NNC(=S)NC)c1cnn(C)c1 741811446 WDIQAKFKXBXEPY-UHFFFAOYSA-N 225.321 0.628 30 20 BCED C=CCNC(=S)NCc1ccc(C(N)=O)o1 751902276 HVEAHEJFLJNVKJ-UHFFFAOYSA-N 239.300 0.529 30 20 BCED C#CCNC(=O)CN1[C@H]2C=CC[C@H]1CC2 752100382 LITDDMFFBDLFFE-QWRGUYRKSA-N 204.273 0.529 30 20 BCED C#CCOCCNC(=O)NC[C@@](C)(O)C(C)C 753385030 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BCED C[C@@H](C#N)C(=O)Nc1cc2ccccn2n1 561147906 JIMGTDBYVNIVAN-QMMMGPOBSA-N 214.228 1.432 30 20 BCED N#Cc1cccc(NC(=O)N2CCC[C@@H]2CO)n1 563099367 WSSLQDMVBKPVFU-SNVBAGLBSA-N 246.270 0.942 30 20 BCED Cn1ncc(C(=O)N2CCC[C@H](F)C2)c1C#N 563329740 PNWULVXPYSBDGU-QMMMGPOBSA-N 236.250 0.866 30 20 BCED CO[C@@H]1COC[C@H]1NC(=O)c1ccc(C#N)[nH]1 566285615 XHKYEGNEEJARMC-NXEZZACHSA-N 235.243 0.030 30 20 BCED C[C@H]1OCC[C@@H]1N(CCO)c1cc(C#N)ncn1 570898274 JNACYVQLNWVKHC-KOLCDFICSA-N 248.286 0.324 30 20 BCED N#Cc1cc(=O)n(CCOC[C@H]2CCCO2)cn1 573721785 CVJRIWVOWQWVEB-LLVKDONJSA-N 249.270 0.311 30 20 BCED CCC1(C(=O)NCC#CCO)CCOCC1 578142937 ZJBOQPLPCKMYNR-UHFFFAOYSA-N 225.288 0.305 30 20 BCED CN(CCC#N)C[C@H](O)CN[C@H]1CCC1(C)C 583377275 KXNSNQOPBHEJCW-NEPJUHHUSA-N 239.363 0.971 30 20 BCED CCOC(=O)C#Cc1ccc(C(=O)OC)nn1 585143771 MDBIBFXXJFNSDM-UHFFFAOYSA-N 234.211 0.178 30 20 BCED COC(=O)C#Cc1ccnc(C2CC2)n1 585143965 WBODKVZZFKCPSU-UHFFFAOYSA-N 202.213 0.879 30 20 BCED C=CCN(CCC#N)C(=O)c1ccn(C)n1 590409565 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BCED CCC[C@H](C#N)NC(=O)c1ccn(COC)n1 597041524 KWAMBNCZLPOEAX-SECBINFHSA-N 236.275 0.909 30 20 BCED CC[C@@H](C#N)NC(=O)c1cnc2n1CCC2 597042690 GAIJWHZMJXLMGA-QMMMGPOBSA-N 218.260 0.861 30 20 BCED CC1(C)C[C@]1(C#N)NC(=O)c1ncc[nH]1 597672010 QRASPLUUJUTAPJ-SNVBAGLBSA-N 204.233 0.832 30 20 BCED CC(C)(C#N)C[C@H](O)CN1CC[C@H](CO)C1 598592171 GSKPCFLSCCTIFQ-QWRGUYRKSA-N 226.320 0.601 30 20 BCED C[C@H](CC#N)NC(=O)c1cnc(O)n1C 601022633 OGGHMWZISVIKRD-ZCFIWIBFSA-N 208.221 0.158 30 20 BCED CC[C@@H](CC#N)NC(=O)Cc1nc[nH]n1 601444467 CPHFKEZRRVEBOS-ZETCQYMHSA-N 207.237 0.156 30 20 BCED C=CCCNC(=O)c1cc(C(=O)OC)nn1C 601664889 SWWHLOMUDJTNBQ-UHFFFAOYSA-N 237.259 0.513 30 20 BCED COCCCC(=O)Nc1c[nH]nc1C#N 602367012 ZNKIIWPUYRBQBH-UHFFFAOYSA-N 208.221 0.646 30 20 BCED C[C@@H](C#N)CNC(=O)Nc1ccn(C)c(=O)c1 603021858 VIPQTNAJWNLABT-QMMMGPOBSA-N 234.259 0.666 30 20 BCED C=C[C@@H](C(=O)OC)n1cc([C@@](C)(N)CC)nn1 603233033 HAFDXHMDHBCNRF-KWQFWETISA-N 238.291 0.762 30 20 BCED CCS(=O)(=O)CC(=O)N[C@@H](C#N)CC(C)C 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C[C@@H](C(=O)NO)n1c(=O)oc2ccccc21 671996786 UZWPJXVWPWKSBO-LURJTMIESA-N 222.200 0.661 30 20 BCED O=C(NO)c1ccc(-n2ccnc2)cn1 671996903 WMJGVHHENICACJ-UHFFFAOYSA-N 204.189 0.386 30 20 BCED COCC#CCN1CCC[C@H](CCO)C1 677817406 LEHSXUSEEDTOCT-GFCCVEGCSA-N 211.305 0.731 30 20 BCED N#CCCC[C@@H](N)C(=O)NCCc1ccccn1 691612200 BKKKYVHNGALFKK-GFCCVEGCSA-N 246.314 0.761 30 20 BCED COC(OC)C(=O)NCC(C)(C)C#N 692586755 BCYPIXNPWKBVCJ-UHFFFAOYSA-N 200.238 0.271 30 20 BCED C#CC[C@@H](NC(=O)[C@@H](OC)C1CC1)C(=O)O 692803798 VXAKVKIMXDPYFF-BDAKNGLRSA-N 225.244 0.004 30 20 BCED C[C@H](C#N)CN(C)c1nccnc1C(=O)O 700898173 LMUSXQNXDOBDAY-SSDOTTSWSA-N 220.232 0.771 30 20 BCED C#C[C@@H](NC[C@@H](O)Cn1cccn1)C(C)(C)C 702284215 BEFSPINCQJYVGU-VXGBXAGGSA-N 235.331 0.882 30 20 BCED CC(C)(O)[C@@H]1CCCN1CC(=O)NCCC#N 707169392 PZKWGJFKOYDILY-JTQLQIEISA-N 239.319 0.252 30 20 BCED N#Cc1nc(=NCCc2cc[nH]n2)cc[nH]1 714497071 HOFHWPGDGPDYBD-UHFFFAOYSA-N 214.232 0.148 30 20 BCED C#CCC[C@@H](O)CNc1cc(O)nc(C)n1 717904561 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20 BCED C#CCCCNC(=O)N[C@H]1CC[S@@](=O)C1 762307445 YXXLIFGAHKFDJJ-BJOHPYRUSA-N 228.317 0.220 30 20 BCED C[C@@H]1CC(=NC(=O)c2ccncc2)NO1 763262311 XNOOLEJEESMMGJ-SSDOTTSWSA-N 205.217 0.934 30 20 BCED O=C1CNC(=O)N1N=Cc1ccccc1F 770608611 VIODAYVRXXXGTC-UHFFFAOYSA-N 221.191 0.711 30 20 BCED C#C[C@H](NC(=O)c1cc(CC)[nH]n1)[C@@H]1CCCO1 772886897 SMQWRUASQCCNKR-JQWIXIFHSA-N 247.298 0.883 30 20 BCED C#C[C@H](C)NC(=O)N[C@H]1CCC[C@H]1C(=O)NC 773593455 RWPHKCUDUPVNFU-AEJSXWLSSA-N 237.303 0.222 30 20 BCED Cc1ccc(CCC=NN2CC(=O)NC2=O)cn1 774354555 YWHCLTIPNMLXHG-UHFFFAOYSA-N 246.270 0.860 30 20 BCED COC[C@@H](C#N)OC(=O)c1cc(C)nn1C 785220346 VZHOJUKZJOEEFF-MRVPVSSYSA-N 223.232 0.424 30 20 BCED Cn1cnn(CN2CC[C@@](F)(C#N)C2)c1=S 786106109 HLKPRBXDMZJYML-SECBINFHSA-N 241.295 0.846 30 20 BCED Cn1ncc(C(=O)N2CCCC(C)(C)[C@H]2C#N)n1 791035224 QECILYOHAMTUDT-SNVBAGLBSA-N 247.302 0.969 30 20 BCED N#CCCCNS(=O)(=O)C[C@H]1CCCOC1 792769178 MPLMCSJBNFTCLV-JTQLQIEISA-N 246.332 0.636 30 20 BCED 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C[C@H](C#N)CNC(=O)c1ccnc(N)c1 1575051787 SYLOQCFEIFJTQR-SSDOTTSWSA-N 204.233 0.553 30 20 BCED CCO[C@@H]1CN(C(=O)[C@@H](C#N)CC)C[C@H]1CN 1578151473 MIFCOTJBJRNQSS-GMTAPVOTSA-N 239.319 0.358 30 20 BCED CNCCCN(C)CCC(=O)N(C)CCC#N 1578687334 JHPHTYSDNXFANY-UHFFFAOYSA-N 240.351 0.290 30 20 BCED N#Cc1ccc2c(c1)CCN2C(=O)C[C@H](O)CN 1580072463 SQOKKDSDXRUFOK-NSHDSACASA-N 245.282 0.157 30 20 BCED C=C(C)[C@H](CO)N1C[C@H](C)C[C@@H](C(=O)O)C1 1588443176 ZBDOUSNEVDJTFC-MXWKQRLJSA-N 227.304 0.966 30 20 BCED C=C1CCN(c2ncncc2-c2nn[nH]n2)CC1 1588462502 JEPTUAYLFOBBAQ-UHFFFAOYSA-N 243.274 0.813 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](CC)C(=O)O 1588478354 ICJLQWHDEBAAMZ-HRDYMLBCSA-N 228.244 0.984 30 20 BCED CC#CCCNc1cc(-c2nn[nH]n2)nc(C)n1 1588746869 ZJALVEHODQYTDM-UHFFFAOYSA-N 243.274 0.790 30 20 BCED C=CCN(C)CCCNC(=O)[C@H]1C[C@@H]1C(=O)O 1588822838 SXNOHWOIZIHBMI-UWVGGRQHSA-N 240.303 0.331 30 20 BCED Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCC(=O)O 1594554943 YVEGIBQRXGPUFH-SSDOTTSWSA-N 249.226 0.176 30 20 BCED Cn1nncc1NN=Cc1cccn1CC(=O)O 1594598570 WILLJKKREZLWQT-UHFFFAOYSA-N 248.246 0.147 30 20 BCED N#CCOC(=O)[C@@H](C(=O)O)C1CCCC1 1594609749 KAEAVUXLXOLTQT-MRVPVSSYSA-N 211.217 0.944 30 20 BCED C[C@@H]1C[C@H](C(=O)N(C)CCC#N)O[C@H]1C(=O)O 1599870913 MPRLKDJPCSPNTM-IWSPIJDZSA-N 240.259 0.237 30 20 BCED N#CC1(C(=O)O)CCN(C(=O)OCCF)CC1 1601055544 NVWXKGIPPZPQQF-UHFFFAOYSA-N 244.222 0.783 30 20 BCED N#C[C@H]1C[C@H]1C(=O)N[C@H](C(=O)O)c1ccccn1 1601079536 GLPXWWLFJWSFEB-MRTMQBJTSA-N 245.238 0.483 30 20 BCED N#Cc1nc(C(=O)O)ccc1SCCN 1601134898 RUVGLJKOWBEJQI-UHFFFAOYSA-N 223.257 0.702 30 20 BCED C#CCOCCN[C@@](C)(CCF)C(=O)O 1602727883 FWGGHBBCJSPSRY-JTQLQIEISA-N 217.240 0.429 30 20 BCED C=C(CN(C)C)C(=O)N(C)[C@H](C)C(=O)O 1602787518 JCAQUERXQMEATQ-MRVPVSSYSA-N 214.265 0.036 30 20 BCED CNC(=S)N(C)N=CC[C@@H](C)C(=O)O 1606292729 RMTLPPBGVBTELB-ZCFIWIBFSA-N 217.294 0.519 30 20 BCED CS(=O)(=O)[C@@H](C(=O)O)c1ccc(C#N)cc1 1607365441 OIZRONXZUPOXQT-SECBINFHSA-N 239.252 0.729 30 20 BCED CSC[C@H](C)C(=O)N(CC#N)CCC(=O)O 1607392672 HJOZXDSYIVVNFY-QMMMGPOBSA-N 244.316 0.812 30 20 BCED COc1cc(CNn2cnnc2)ccc1C#N 1657078708 RJFDLMFAAKWCAO-UHFFFAOYSA-N 229.243 0.902 30 20 BCED C[C@H](C#N)CN(C)C(=O)Nc1cnn(C)c(=O)c1 1675202987 SRBVGNQBZSQXQS-MRVPVSSYSA-N 249.274 0.404 30 20 BCED CCCCC(=O)NC[C@@H](C)NC(=O)[C@@H](C)C#N 1688124188 XFVDCQUTFUERRQ-VHSXEESVSA-N 239.319 0.957 30 20 BCED C#CCNC[C@@H](C)CNC(=O)c1[nH]cnc1CC 1753641219 SOVVJTJMHMMJSJ-SNVBAGLBSA-N 248.330 0.561 30 20 BCED CCN(CCN[C@@H](C)COC)C(=O)[C@H](C)C#N 1754038851 OIVDVRWVXDOZBB-MNOVXSKESA-N 241.335 0.619 30 20 BCED C#CCN1CCC(C)(NC(=O)[C@H](C)C#N)CC1 1754623385 CDVYBMNOMDOBMS-LLVKDONJSA-N 233.315 0.750 30 20 BCED C=CCCN1CC[C@@](O)(CNC(=O)C2CC2)C1 1754744472 HWBBFVZEYSNQQV-CYBMUJFWSA-N 238.331 0.526 30 20 BCED C=CCCN(C)C[C@H](O)CN(C)C(=O)C1CC1 1755797914 KZYHJHAHVDLXJA-LBPRGKRZSA-N 240.347 0.724 30 20 BCED CC[C@H](NN=Cc1ccn(CCF)n1)C(=O)O 1776067059 OYTCUIXXJXTOQU-VIFPVBQESA-N 242.254 0.639 30 20 BCED C=CCCN1CC[C@@H](C(=O)O)[C@@H](OC)C1 1776174783 AQCJYMWXCHHHRR-ZJUUUORDSA-N 213.277 0.984 30 20 BCED C=CCNS(=O)(=O)c1c(C)nn(C)c1C 13939077 QYELNHPBVUFOAW-UHFFFAOYSA-N 229.305 0.501 30 20 BCED NC(=O)C1=C(O)C(=O)c2ccccc2C1=O 14492434 GKHXYPSPBQDXQZ-UHFFFAOYSA-N 217.180 0.363 30 20 BCED biogenic C[C@@H]1COCCN1C(=O)CSCC#N 41830657 MPQGAWQZEREELC-MRVPVSSYSA-N 214.290 0.490 30 20 BCED N#Cc1cccc(NC(=O)CC(=O)O)c1 50914058 CVHWASNRZYVRFD-UHFFFAOYSA-N 204.185 0.971 30 20 BCED C=C(C)CN1CCN(S(C)(=O)=O)CC1 52797672 IOWCCUOAIBVUCL-UHFFFAOYSA-N 218.322 0.140 30 20 BCED C#CCOC(=O)CCn1c(C)csc1=O 60984654 NSOFVTYOEKXZEZ-UHFFFAOYSA-N 225.269 0.785 30 20 BCED N#Cc1ccc(NC(=O)CN2CC[C@H](O)C2)cc1 61708782 HVDCULHGSNFBIM-LBPRGKRZSA-N 245.282 0.563 30 20 BCED C=CCCO[C@@H](C)C(=O)NCC(C)(C)C(N)=O 66318245 KLHSDQQNZDSIRZ-VIFPVBQESA-N 242.319 0.595 30 20 BCED CCc1nc(CN(CCC#N)CCOC)no1 72689423 GUVMXHUEFYHWIV-UHFFFAOYSA-N 238.291 0.994 30 20 BCED CC(C)(C)NCC(=O)N1CCO[C@H](C#N)C1 82473502 CLYISNWEKAUFGA-SECBINFHSA-N 225.292 0.125 30 20 BCED COCC[C@@H](C)NS(=O)(=O)[C@H](C)C#N 83922392 IHYCFRDLBIOCBL-HTQZYQBOSA-N 220.294 0.243 30 20 BCED N#Cc1cccc(N2CCC(NCCO)CC2)n1 92689463 WHYMIQMYOURGAA-UHFFFAOYSA-N 246.314 0.504 30 20 BCED N#C[C@H]1CN(c2cc(C(=O)O)ccn2)CCO1 93935549 PPMVOZVRFDGKQC-VIFPVBQESA-N 233.227 0.509 30 20 BCED C[S@](=O)CCNc1cnccc1C#N 94161062 UIQRLQOMNIRUEM-CQSZACIVSA-N 209.274 0.744 30 20 BCED CN1CCO[C@H](CNCc2ccc(C#N)cc2)C1 105471301 YWEYSYKUVDCMAU-CQSZACIVSA-N 245.326 0.978 30 20 BCED C=CCCS(=O)(=O)N1CCC[C@H](C(N)=O)C1 119343111 DXGVFDWYDOYUPT-VIFPVBQESA-N 246.332 0.090 30 20 BCED C#CCN1CCN(C(=O)C[C@@H](C)SC)CC1 121056020 DGNYUBRVPWAAGT-LLVKDONJSA-N 240.372 0.905 30 20 BCED CC1CC(C#N)(C(=O)NCCCC(N)=O)C1 122350605 WZKCVBJBFIXHGY-UHFFFAOYSA-N 223.276 0.308 30 20 BCED C[C@]1(CNC(=O)CSCC#N)CCCO1 124587360 SEGFDUVBHWCUNO-SNVBAGLBSA-N 228.317 0.928 30 20 BCED C=CCNC(=O)NO[C@@H]1CCCCO1 124920017 XIGRUCCOWGKMOH-MRVPVSSYSA-N 200.238 0.930 30 20 BCED CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)[nH]1 127201188 XXMJLLNYOKTLRF-JTQLQIEISA-N 246.270 0.237 30 20 BCED CC[C@](C)(C#N)C(=O)NCCn1cccn1 136206351 MNPHMUZMAKRFKE-LLVKDONJSA-N 220.276 0.939 30 20 BCED N#Cc1ccc(N2CCN3C(=O)NC[C@H]3C2)cn1 147725941 ZRFVYUXQCDNBHJ-NSHDSACASA-N 243.270 0.167 30 20 BCED COc1ccc(F)cc1NCC(=O)NCC#N 155359362 IPFMSHKUPNNPBZ-UHFFFAOYSA-N 237.234 0.886 30 20 BCED C=C(C)CN1CC[C@@H](S(=O)(=O)NC)C1 155890238 YMWLXDLKTMCIHZ-SECBINFHSA-N 218.322 0.186 30 20 BCED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 156561770 WZTYSNXNOUWQTD-MXWKQRLJSA-N 223.272 0.462 30 20 BCED C#CCCCCNC(=O)CCS(C)(=O)=O 163034863 VKTITRQMHUVUDC-UHFFFAOYSA-N 231.317 0.341 30 20 BCED CN1CCO[C@@H](C(=O)Nc2cccc(C#N)c2)C1 174388415 GSYCQOGWSIKAMO-GFCCVEGCSA-N 245.282 0.827 30 20 BCED C#CCCCNC(=O)CNC(=O)OCC 174575143 XGVXDECJIBSGEX-UHFFFAOYSA-N 212.249 0.262 30 20 BCED N#C[C@@H]1COCCN1C(=O)C=C1CCC1 176650310 GUBNCUMDDQZAEG-SNVBAGLBSA-N 206.245 0.848 30 20 BCED C#CCNC(=O)[C@@H](C)O/N=C(\N)C1CCCC1 178139489 BETMRYJGGHJBJQ-SECBINFHSA-N 237.303 0.603 30 20 BCED Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C 178444132 QISTUXPMYUHGLK-UHFFFAOYSA-N 231.255 0.893 30 20 BCED C#CCOCCC(=O)N1CCO[C@@H](C)C1 179239268 AMPBBQLFEZGBCN-JTQLQIEISA-N 211.261 0.274 30 20 BCED C[C@@H](C#N)NC(=O)c1cnc2c(c1)ncn2C 180578917 TZQQVPXDNNVIFR-ZETCQYMHSA-N 229.243 0.610 30 20 BCED N#Cc1cc(C(=O)NC[C@H]2CCCO2)c[nH]1 181149112 AAYRFTZHZZGPAT-SNVBAGLBSA-N 219.244 0.795 30 20 BCED C=CCNC(=O)CNC(=O)c1cccnc1OC 181699382 OCWPWSJDFPYVHP-UHFFFAOYSA-N 249.270 0.122 30 20 BCED C#CCCCNC(=O)NOC[C@H]1CCOC1 191431563 MJAGBIFXQVSIGN-JTQLQIEISA-N 226.276 0.667 30 20 BCED C#CCN(C)Cc1nn2c(=O)cc(C)nc2s1 192222095 JGRRMSKQHYZKNK-UHFFFAOYSA-N 248.311 0.524 30 20 BCED N#CCOc1ccccc1C(=O)NCCCO 194135881 RPVBTZPWQAKNDS-UHFFFAOYSA-N 234.255 0.701 30 20 BCED CCN1C[C@@H](C(=O)N[C@@H](C)CC#N)CC1=O 194645729 SELXQQOWJRFESJ-IUCAKERBSA-N 223.276 0.273 30 20 BCED CS[C@H](CO)[C@@H](C)NC(=O)C1(C#N)CCC1 225708189 VQVUOOSZJJXBNJ-RKDXNWHRSA-N 242.344 0.909 30 20 BCED N#Cc1cccnc1N[C@@H]1CNC(=O)C1 226739393 FTPJMRNIEJHNRI-QMMMGPOBSA-N 202.217 0.254 30 20 BCED CC(C)[C@@H](CCO)NCC(=O)NCCC#N 227013207 WELJHUOZEPKFCE-SNVBAGLBSA-N 227.308 0.013 30 20 BCED CO[C@@H](CN)C(=O)NCc1cccc(C#N)c1 227360584 WDGKZGYYDAKHCV-NSHDSACASA-N 233.271 0.148 30 20 BCED CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 227770944 WDXIWLURFISDJB-RKDXNWHRSA-N 223.276 0.131 30 20 BCED CC[C@H](C#N)C(=O)N(CCO)CC(F)F 231317317 QUDMQLOFSHTNJJ-SSDOTTSWSA-N 220.219 0.622 30 20 BCED CC[C@@H](C#N)C(=O)NC[C@@H](COC)OC 233831988 TUFFUJIZHDFINS-IUCAKERBSA-N 214.265 0.314 30 20 BCED C=CCC[C@H](O)CN1CCOC[C@]12CCOC2 249543675 JVXLVZNXILLRIK-QWHCGFSZSA-N 241.331 0.805 30 20 BCED Cn1c(=O)oc2ccc(NC(=O)CC#N)cc21 258782448 YOCVJNHCIXZEKL-UHFFFAOYSA-N 231.211 0.984 30 20 BCED N/C(=N\C[C@@H]1CCCSC1)N1CCOCC1 262293595 ICPSTGZOGOJNJU-JTQLQIEISA-N 243.376 0.777 30 20 BCED C[C@H]1CCCN(/C(N)=N/CCN2CCC2)C1 262791684 OFLYQAQWMXXAHI-NSHDSACASA-N 224.352 0.739 30 20 BCED C=C(C)CS(=O)(=O)N1CCC[C@@H]1C(=O)O 263542713 DWNPFWRHNWTBPN-MRVPVSSYSA-N 233.289 0.441 30 20 BCED C#CCNC(=O)NCc1cccc(CO)c1 264220404 BNYJGCXCTIMDFH-UHFFFAOYSA-N 218.256 0.611 30 20 BCED CC(C)[C@H](C#N)NC(=O)CCCC(=O)N(C)C 266848795 QCEXHUYGNUZGFN-JTQLQIEISA-N 239.319 0.909 30 20 BCED N#Cc1ccc(N2CCC[C@@H](OCCO)C2)cn1 267350404 GHHUHNMGVRPOBQ-CYBMUJFWSA-N 247.298 0.931 30 20 BCED COCCN/C(N)=N/CCc1ccncc1 267456583 SXUXRUCLMTXSQH-UHFFFAOYSA-N 222.292 0.175 30 20 BCED COC[C@](C)(C#N)NC(=O)c1cncs1 269580568 KMAWOUVBAGLHKF-VIFPVBQESA-N 225.273 0.802 30 20 BCED C=CCCOCCN1C(=O)CN(C)C1=O 272290473 ZIXRKJMRPHCQQK-UHFFFAOYSA-N 212.249 0.473 30 20 BCED CC#CCCCC(=O)NC[C@H](O)COC 274356912 HKPGWHZIOAFCBD-JTQLQIEISA-N 213.277 0.304 30 20 BCED C=CCS(=O)(=O)CCNC[C@H]1CCC=CO1 278468648 GTTWVDOAKRKADP-LLVKDONJSA-N 245.344 0.870 30 20 BCED C#C[C@H](NC(=O)c1ccc[n+]([O-])c1)C(C)C 282034545 LPAJYNVJBXLVQO-NSHDSACASA-N 218.256 0.708 30 20 BCED C=CC[C@H](C)NC(=O)N[C@@H](C)C(=O)NCCF 282315693 YBLMZGRTZZLWTP-IUCAKERBSA-N 245.298 0.724 30 20 BCED CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)CC#N 285183004 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30 20 BCED C[C@@H](CN1CCOCC1)Nc1ccc(C#N)nn1 301942456 VOAPNRDDNYBRSB-JTQLQIEISA-N 247.302 0.481 30 20 BCED CC[C@@H](C)CNCCn1cnc(C#N)n1 308956723 QTVGGRIADRMSPU-SECBINFHSA-N 207.281 0.785 30 20 BCED CC(=O)N1C[C@@H]2CCC[C@H](NCC#N)[C@H]2C1 309411045 XYOIFYYJIZMXCA-SRVKXCTJSA-N 221.304 0.747 30 20 BCED C=CCC[C@H](O)CN[C@H](C(N)=O)[C@@H](C)CC 309590577 UQBJBAVEFKLNFX-DCAQKATOSA-N 228.336 0.803 30 20 BCED O/C(=N/CCn1ncnn1)[C@@H]1CCCCS1 329355415 YXYGBKPLPWJGSU-QMMMGPOBSA-N 241.320 0.915 30 20 BCED COCCCC/N=C(/O)c1cnnn1C 330377521 QCIGZFCSLILGME-UHFFFAOYSA-N 212.253 0.546 30 20 BCED Cc1nc(CC/N=C(/O)c2cnn(C)c2C)n[nH]1 330624660 RQCHNRBRUHUURQ-UHFFFAOYSA-N 248.290 0.702 30 20 BCED CN1CCO[C@H](CN/C(O)=N/CCCC#N)C1 330809467 BBSIDROWVMYWRJ-SNVBAGLBSA-N 240.307 0.124 30 20 BCED CC[C@@H](O)CN1CCN(CC2(C#N)CC2)CC1 331364574 BNCSWZJBRQDZGJ-GFCCVEGCSA-N 237.347 0.679 30 20 BCED C[C@H]1CCN(C(=O)NCC(=O)NCC#N)[C@@H]1C 334406364 HUDVLZCNGNDTHF-DTWKUNHWSA-N 238.291 0.066 30 20 BCED 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246.266 0.886 30 20 BCED C#C[C@H](NCCS(C)(=O)=O)c1ccccc1 378699046 DYRRFFDWNISREZ-LBPRGKRZSA-N 237.324 0.995 30 20 BCED C[C@@H](CNc1cc(C#N)ncn1)CN(C)C 381359598 DPWNRHMQBGBNEN-VIFPVBQESA-N 219.292 0.958 30 20 BCED CN(C)C1(CN=c2nc[nH]cc2C#N)CC1 397831008 MYLYZWXKXYQMOT-UHFFFAOYSA-N 217.276 0.276 30 20 BCED C#CCNC(=O)CN1C[C@@H](C)C[C@@H]1CC 399496065 JJHMNBNMHOAGKL-QWRGUYRKSA-N 208.305 0.856 30 20 BCED C=CCC[C@H](O)CN1CCCN(C)CC1 411148305 LBPQKNMJFDHWPN-LBPRGKRZSA-N 212.337 0.951 30 20 BCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CN)C1 424060673 QMTRGVSPRRUFBM-TUAOUCFPSA-N 238.331 0.775 30 20 BCED C=CCn1cc(CN[C@@H](C)[C@@H]2CCCN2)nn1 424384336 VCMBZPCLFYRTBZ-JQWIXIFHSA-N 235.335 0.694 30 20 BCED C=CCN(CCC#N)CC(=O)NCCC 428870648 HMKKRBGQHKVUNC-UHFFFAOYSA-N 209.293 0.914 30 20 BCED C=CCNC(=O)CCCN1CCC(N)CC1 433158625 KEFXPLCHAXQZQZ-UHFFFAOYSA-N 225.336 0.492 30 20 BCED CN(C)C1CN(C(=O)c2ccc(C#N)c(O)c2)C1 442669702 CYDIXDQMVZFQLM-UHFFFAOYSA-N 245.282 0.650 30 20 BCED C=C[C@@](C)(CC)C(=O)N[C@H]1CNC(=O)C1 442669785 HSNFNVXHKRCWCN-KCJUWKMLSA-N 210.277 0.593 30 20 BCED C=CCNC(=O)N[C@H](CO)[C@H]1CCCO1 447978471 QJEMYOXBDWBEIV-RKDXNWHRSA-N 214.265 0.012 30 20 BCED COC(=O)COC[C@H](C)NCC1(CC#N)CC1 449303177 XOMDZQOHVXZQIG-JTQLQIEISA-N 240.303 0.848 30 20 BCED CC[C@@H]1CCC[C@@H]1C(=O)NCC(=O)NCC#N 451751920 XUWHVMSHUMBEBP-ZJUUUORDSA-N 237.303 0.569 30 20 BCED C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](CC)CO 455412963 CYNOCOGKNHUYLM-AXFHLTTASA-N 242.319 0.790 30 20 BCED C#CCN(CC#CC)C(=O)[C@H](CC)OC 490674546 BZHVXFVEIVCFRX-NSHDSACASA-N 207.273 0.897 30 20 BCED C#CCN(CC#CC)C(=O)COC1CCOCC1 490675616 FUSHVNLUYMRDBN-UHFFFAOYSA-N 249.310 0.667 30 20 BCED C#CCC[C@@H](O)CNC(=O)N[C@@H](C#C)C(C)C 491374895 SZGSZNLMWUIDAT-NEPJUHHUSA-N 236.315 0.718 30 20 BCED C#C[C@@H](C)N(C)CC(=O)N(CCC#N)CCC#N 491438368 BXTXLSOIZPTZGD-GFCCVEGCSA-N 246.314 0.596 30 20 BCED C#CCN(CC)C(=O)N[C@@H]1COC[C@H]1OCC 491702721 IPMVARUDUVXAAC-GHMZBOCLSA-N 240.303 0.455 30 20 BCED 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30 20 BCED N#CC1(C(=O)N2CC[C@@H](CO)C2)CCC1 169007251 CMKOHVLZNXOCCK-SECBINFHSA-N 208.261 0.521 30 20 BCED C#C[C@H](C)OC(=O)c1ccc(OCC(N)=O)cc1 174435452 KOLPKVPWIOIBRY-VIFPVBQESA-N 247.250 0.729 30 20 BCED N#Cc1c[nH]c(C(=O)NC2CCOCC2)c1 175369741 JLFXMTZCKKXLBJ-UHFFFAOYSA-N 219.244 0.795 30 20 BCED CC(C)N(C)CCNC(=O)c1cc(C#N)c[nH]1 175515605 WEGKLNGWYDHFPJ-UHFFFAOYSA-N 234.303 0.956 30 20 BCED CC[C@@H](CO)NC(=O)c1cc(C#N)c[nH]1 175558457 UQYNIOBIKQALHY-QMMMGPOBSA-N 207.233 0.387 30 20 BCED C[C@@H](C#N)CNC(=O)NCCCn1ccnc1 175599411 XJMWREGCCXAACO-JTQLQIEISA-N 235.291 0.732 30 20 BCED CCOC(=O)CN(CC)C(=O)c1cc(C#N)c[nH]1 177852012 CHRQRVZJLOARCN-UHFFFAOYSA-N 249.270 0.912 30 20 BCED C=CCNC(=O)CNC(=O)N(C)CC1CCC1 181232987 IIJVTZSLRRZGCO-UHFFFAOYSA-N 239.319 0.730 30 20 BCED CN(CCC#N)C(=O)c1c[nH]c(C#N)c1 181243860 VOAAMKLDYXFSRR-UHFFFAOYSA-N 202.217 0.872 30 20 BCED C=C(C)CS(=O)(=O)NCCCC(=O)OCC 184350506 GYAGXMYBBOMKTN-UHFFFAOYSA-N 249.332 0.825 30 20 BCED CC(C)(C#N)C(=O)Nc1ccc(O)nn1 184747394 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0.648 30 20 BCED Cc1cc(C#N)nc(N2CC[C@@H]([C@@H](C)O)C2)n1 231904899 KAGYNHDOYLVISQ-NXEZZACHSA-N 232.287 0.864 30 20 BCED Cc1cc(C#N)nc(NC[C@@H](N)C2CC2)n1 231943911 LCMDVNHOVTZJLY-SNVBAGLBSA-N 217.276 0.806 30 20 BCED C#CCNCC(=O)Nc1cncc(C)c1 232077521 CLGWWJDCXKAGGF-UHFFFAOYSA-N 203.245 0.551 30 20 BCED CO[C@H]1CN(c2ncccc2C#N)C[C@@H]1OC 234884147 IGFGXTBASGDNBN-QWRGUYRKSA-N 233.271 0.803 30 20 BCED CCN(C[C@@H](C)C#N)[C@H](C)C(=O)NC(N)=O 249969438 OKPCIXSBVHUAQS-JGVFFNPUSA-N 226.280 0.051 30 20 BCED N#Cc1ccc(NC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 252410148 LGBFFOLWSCMLNA-GDNZZTSVSA-N 242.282 0.898 30 20 BCED CN1CCC(NC(=O)c2cccc(C#N)n2)CC1 258900692 HOKYVODSGQWEOY-UHFFFAOYSA-N 244.298 0.777 30 20 BCED C[C@H](C(=O)O)N(C)S(=O)(=O)CCCC#N 261536846 TXWNQXNHBWEONR-SSDOTTSWSA-N 234.277 0.025 30 20 BCED C=CCN/C(N)=N\C[C@H]1CCCCS1(=O)=O 262282007 VVBSIGIKIKHPGI-SECBINFHSA-N 245.348 0.044 30 20 BCED CN/C(N)=N/[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 262347457 AKZDEEICBFOHPN-IWSPIJDZSA-N 211.309 0.724 30 20 BCED COC[C@H](C)N/C(N)=N/C[C@@]1(C)CCOC1 262520033 IBYZRPYSCIOEPG-GXSJLCMTSA-N 229.324 0.352 30 20 BCED C#CCN/C(=N/C)NC[C@H]1CCN(C2CC2)C1 262629093 VGMLITHCRSQBFI-LLVKDONJSA-N 234.347 0.269 30 20 BCED CCCN(CC#N)C(=O)[C@H]1C[C@H]1C(=O)OC 263902673 QKUZIJHGTGGCRQ-DTWKUNHWSA-N 224.260 0.558 30 20 BCED C=CCN/C(N)=N/CCCOC[C@@H]1CCCO1 264073905 GRYHQFXBCRYONL-NSHDSACASA-N 241.335 0.662 30 20 BCED C#CC(C)(C)NC(=O)COc1cccnc1 265261591 VPXMJXOPCZDGES-UHFFFAOYSA-N 218.256 0.988 30 20 BCED Cc1nc2n(n1)CCN(c1ncccc1C#N)C2 267074268 FDMBTTFVTNIKOE-UHFFFAOYSA-N 240.270 0.873 30 20 BCED COc1cccc([C@H](O)CN=C(N)N)c1 267448605 QRBAERSARNPEJU-SECBINFHSA-N 209.249 0.002 30 20 BCED COC(=O)c1cc(C(=O)N[C@@H](C)CC#N)ccn1 267546129 BZOVQYPGNBJJRK-QMMMGPOBSA-N 247.254 0.900 30 20 BCED C#CCNC(=O)[C@H](C)S[C@H](C)C(C)=O 267697726 PNEWXVUVTLCGBG-BDAKNGLRSA-N 213.302 0.835 30 20 BCED C=CCN(C(=O)[C@@H]1CN(C)CCO1)C1CC1 271430416 RPNPMXOJZCMVHU-NSHDSACASA-N 224.304 0.494 30 20 BCED CN(C)C1CN(C(=O)C#Cc2ccccc2)C1 271786118 TVYRFOAVVBITLE-UHFFFAOYSA-N 228.295 0.811 30 20 BCED C#C[C@H](C)NC(=O)[C@H](O)CCSC 274740970 JWXCYKSUVIYGER-JGVFFNPUSA-N 201.291 0.238 30 20 BCED CC(C)(O)C(=O)NCC#Cc1ccccc1 277183038 SJTLXTPGOBRERW-UHFFFAOYSA-N 217.268 0.925 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCN(C(C)=O)CC1 278547458 GPONOBBHGZCAHH-LBPRGKRZSA-N 240.303 0.004 30 20 BCED C=C[C@](C)(O)CC(=O)N(C)c1cnn(C)c1 278815265 IIULXYRXTXNJJB-NSHDSACASA-N 223.276 0.710 30 20 BCED C=C(C)CN(CC)C(=O)C1(S(C)(=O)=O)CC1 279697096 IUCLXWZNSYXHIJ-UHFFFAOYSA-N 245.344 0.988 30 20 BCED C#CCN(CC#N)C(=O)CC[C@H]1CCOC1 281460932 FSELYRGCLIWYMB-NSHDSACASA-N 220.272 0.788 30 20 BCED C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 281607925 DUQOSWHKSKCXAY-AEJSXWLSSA-N 240.303 0.490 30 20 BCED CO/N=C/C(=O)NCCOc1cccc(F)c1 282908775 DHIIZJLGAVPKGM-RIYZIHGNSA-N 240.234 0.953 30 20 BCED CO/N=C/C(=O)NCCOc1ccccc1 282996944 OLPDTCDFDCPGSV-UKTHLTGXSA-N 222.244 0.814 30 20 BCED CC#CC(=O)N(C)[C@@H](C)CN1CCOCC1 283740748 GYNFHNOSDLJWDX-NSHDSACASA-N 224.304 0.189 30 20 BCED C#CCCCSC[C@H](NC(C)=O)C(=O)OC 284210463 LTRPCRGAHWHSCM-JTQLQIEISA-N 243.328 0.811 30 20 BCED C=CCCC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 285540182 OBMLQIOIWZJWDH-RKDXNWHRSA-N 210.277 0.532 30 20 BCED C#C[C@@H](/N=C(\N)NCCOC)C(C)(C)C 287289592 SDVVDCAFCQHFCE-SECBINFHSA-N 211.309 0.585 30 20 BCED N#Cc1c[nH]c(C(=O)N2CCCOC2)c1 288482023 RWVMKPYPWPUISS-UHFFFAOYSA-N 205.217 0.706 30 20 BCED C[C@@H](C#N)N(C)C(=O)CCNC(=O)c1ccco1 294457526 TWYWJHBNPNMVKY-VIFPVBQESA-N 249.270 0.770 30 20 BCED C=CCC(F)(F)C(=O)N[C@H](C=C)CO 294857046 XZKHUXRNTOZGRN-SSDOTTSWSA-N 205.204 0.861 30 20 BCED C=C(Cl)CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 295016756 NFGMXVPMOZMOFL-XPUUQOCRSA-N 230.695 0.770 30 20 BCED C#CCN(CC)C(=O)c1cncnc1C 299100835 DDRCSZPHJOZUNR-UHFFFAOYSA-N 203.245 0.880 30 20 BCED C#CCN(CC)C(=O)[C@H](C)NC(=O)c1ccco1 299160227 YHWBZFYMGAYVDL-JTQLQIEISA-N 248.282 0.880 30 20 BCED C#C[C@H](NC(=O)C(C)(C)C(=O)O)C(C)C 300940081 OPYJDBRHCBFLHL-QMMMGPOBSA-N 211.261 0.871 30 20 BCED N#Cc1ccc(NCCNC(=O)C2CC2)nn1 301839022 NTGAANKQLPXWEH-UHFFFAOYSA-N 231.259 0.286 30 20 BCED CN(C[C@H](O)C1CC1)c1ccc(C#N)nn1 301987322 ZPTJAJDWGXQBRO-JTQLQIEISA-N 218.260 0.555 30 20 BCED COC[C@H](O)CNc1c(C#N)cccc1C#N 302471293 UHPKRILDTHXRKD-LLVKDONJSA-N 231.255 0.849 30 20 BCED O=CC1([C@@H]2CCS(=O)(=O)C2)CCC1 306298635 DLZCJXQYFMNHIQ-MRVPVSSYSA-N 202.275 0.790 30 20 BCED CC1(C)OB(c2cnc(CO)nc2)OC1(C)C 306323299 UYZNXDBSRVQBLZ-UHFFFAOYSA-N 236.080 0.268 30 20 BCED N#Cc1nccc(NC[C@H]2CCOC2)n1 308845867 LILLPJPSBCKGGA-MRVPVSSYSA-N 204.233 0.797 30 20 BCED Cn1nncc1CN[C@H]1CC[C@H](C#N)C1 308914447 GQLHVKKFEIODMS-IUCAKERBSA-N 205.265 0.597 30 20 BCED C#CCN(C)c1nccc(C(=O)O)c1[N+](=O)[O-] 310256322 FKVDQZKFJQDOLJ-UHFFFAOYSA-N 235.199 0.757 30 20 BCED CC(C)(CC#N)CNC(=O)N1CCOCC1 315492871 FXUSZWVFHSOKAI-UHFFFAOYSA-N 225.292 0.968 30 20 BCED N#Cc1ccnc(NC[C@H](O)C2CCC2)n1 315875518 QAWSPVGTXPJATC-JTQLQIEISA-N 218.260 0.921 30 20 BCED C#CCCCCC(=O)N[C@](C)(COC)C(=O)O 328521328 HBXMJMPTZSPSCO-GFCCVEGCSA-N 241.287 0.786 30 20 BCED CC1(C)C[C@@H]1N/C(O)=N/CC1(CO)COC1 328599828 CMXSWFJAGIHWTB-QMMMGPOBSA-N 228.292 0.297 30 20 BCED CC1(CC/N=C(/O)NCC2(CO)COC2)CC1 329987176 SLCXBWWXIBNLIH-UHFFFAOYSA-N 242.319 0.689 30 20 BCED CCN(CCC#N)C(=O)[C@@H]1CCN(C)C(=O)C1 330531155 OUTLIRKTNCRDMU-SNVBAGLBSA-N 237.303 0.617 30 20 BCED CO[C@]1(C/N=C(/O)c2cnc(C)[nH]2)CCOC1 330890435 HIVXHXRRVXKFOU-NSHDSACASA-N 239.275 0.828 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)Cn1nc(C)cc1C 331323848 LTUDPFKZOZGDGG-NEPJUHHUSA-N 249.314 0.960 30 20 BCED CC(C)N(C(=O)Cn1cnc(C#N)n1)C1CC1 331958429 UTLJHAGGFDKMKN-UHFFFAOYSA-N 233.275 0.549 30 20 BCED N#Cc1ccc(C(=O)N2CC[C@@H](O)C2)s1 334841871 XFGKZVRQBCANJD-SSDOTTSWSA-N 222.269 0.827 30 20 BCED C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)CC#N 335952726 HABHGEUROZSADH-WDEREUQCSA-N 221.304 0.985 30 20 BCED N#C[C@@H]1CC[C@@H](NC[C@@]2(O)CCOC2)C1 336722507 FDZYDEHGVDWNSF-MXWKQRLJSA-N 210.277 0.420 30 20 BCED COCCN1CCC(NCCCC#N)CC1 336781366 UMMGRCOXTKSLRF-UHFFFAOYSA-N 225.336 0.991 30 20 BCED C[C@@H](O)CS(=O)(=O)c1ccc(C#N)cc1 337662913 MWQSSSKLVXQOPZ-MRVPVSSYSA-N 225.269 0.713 30 20 BCED C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H](C)C#N 338245924 MLGSPHAMMUNDPS-ZJUUUORDSA-N 248.282 0.974 30 20 BCED COc1cnc(C(=O)N(C)C[C@H](C)C#N)nc1 339095550 DISUEKAJVLLSEU-MRVPVSSYSA-N 234.259 0.717 30 20 BCED C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1COC[C@@H]1O 342343380 SDPOCRWQYQOAEA-AXFHLTTASA-N 227.304 0.807 30 20 BCED N#Cc1ccc(S(=O)(=O)N=c2cc[nH]cc2)o1 342456056 WSPBOXKHRJEUCF-UHFFFAOYSA-N 249.251 0.769 30 20 BCED COCC[C@H]1NC(=O)N(C[C@@H](C)C#N)C1=O 348627113 UTYZQNWHILMDFZ-JGVFFNPUSA-N 225.248 0.103 30 20 BCED N#Cc1csc(CN2C[C@H](O)C[C@H]2CO)c1 350322740 UUECFIOLZUDSMN-VHSXEESVSA-N 238.312 0.547 30 20 BCED C=CCN(CCOC)S(=O)(=O)N1CCC1 352150769 NKIMLEKPIUTDNO-UHFFFAOYSA-N 234.321 0.071 30 20 BCED CO[C@@H](C(=O)N1CCO[C@@H](C#N)C1)C(C)C 352595472 YVPGHXIJLSXHHT-VHSXEESVSA-N 226.276 0.408 30 20 BCED C=C[C@](C)(O)CC(=O)NCCC[C@@H](O)CC 354800077 SAKUVZHXXZWNHZ-JQWIXIFHSA-N 229.320 0.981 30 20 BCED C[C@H](CN(C)C)NC(=O)NCCCC#N 355067050 WBYIZFINSJTLML-SECBINFHSA-N 212.297 0.539 30 20 BCED CC(C)[C@H](NC(=O)NCC(C)(C)C#N)C(N)=O 355079251 JASZSFHCDPNOOF-QMMMGPOBSA-N 240.307 0.345 30 20 BCED CCn1cnnc1NC(=O)c1ccc(C#N)s1 356161561 CYCYTJZYRYGBNF-UHFFFAOYSA-N 247.283 1.483 30 20 BCED C=CCOCC(=O)Nc1nnc2n1CCCC2 357008736 IVXFUYDXNIGKNJ-UHFFFAOYSA-N 236.275 0.756 30 20 BCED C=C[C@H](CO)Nc1ccc(-n2ccc(C)n2)nn1 357590475 CLMWOAQUCILYLW-SNVBAGLBSA-N 245.286 0.930 30 20 BCED Cc1cnccc1C(=O)N[C@@]1(C#N)CCOC1 358438122 FXSRTKBVWWNYBV-GFCCVEGCSA-N 231.255 0.803 30 20 BCED CCCNC(=O)CCC(=O)NCC(C)(C)C#N 359655636 SQEQSXKRXIJXLD-UHFFFAOYSA-N 239.319 0.959 30 20 BCED COCc1nc(OC)cc(N2CC(C)(C#N)C2)n1 360276883 ZFUZQBACNPHZGK-UHFFFAOYSA-N 248.286 0.981 30 20 BCED COC[C@@H](O)CCNC(=O)CCCC#N 360389423 AIBFCEUVZCJIQV-VIFPVBQESA-N 214.265 0.194 30 20 BCED C=CCOCC(=O)N1CCO[C@@H](C)[C@@H]1C 361455096 ZSJMESUANPIIQD-UWVGGRQHSA-N 213.277 0.825 30 20 BCED COc1ccc(C(=O)N[C@]2(C#N)CCOC2)nc1 362167422 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0.194 30 20 BCED COC[C@H](C)NCCCNC(=O)[C@H](C)C#N 1155848540 LXXPYEAYAOSEBV-ZJUUUORDSA-N 227.308 0.277 30 20 BCED COCC#CC(=O)N1CCC[C@@H]2COC[C@@H]21 1161344153 HZNUMUOYNLYDRW-MNOVXSKESA-N 223.272 0.274 30 20 BCED C#CCNCC1(CCNC(=O)COCC)CC1 1163250628 GETITRHVKPHKLM-UHFFFAOYSA-N 238.331 0.532 30 20 BCED C#CCNCCCNC(=O)C[C@H](C)n1ccnc1 1167432209 JJJAERZHHLGZOU-LBPRGKRZSA-N 248.330 0.563 30 20 BCED Cc1c[nH]nc1C(=O)NC1(C#N)CCOCC1 1195911694 MBONEOJNFHLKCR-UHFFFAOYSA-N 234.259 0.521 30 20 BCED C#CCN1CCCN(C(=O)CCN(C)C)CC1 1197028974 MIBOTJYTWFVRQT-UHFFFAOYSA-N 237.347 0.106 30 20 BCED CC#CCNC1CCN(C(=O)[C@H](C)OC)CC1 1199531255 UYRWUMDUEONHQZ-NSHDSACASA-N 238.331 0.625 30 20 BCED CC(C)OCC(=O)N1CCC(NCC#N)CC1 1199603948 ORSSCGXQCXATSR-UHFFFAOYSA-N 239.319 0.516 30 20 BCED C#CCCN[C@@H]1CCCN(C(=O)C(F)F)C1 1206983797 AQWFOTVCOWTMAR-SECBINFHSA-N 230.258 0.855 30 20 BCED C#CCN[C@H]1CCCN(C(=O)COCC=C)C1 1207679686 CDGOIDCVRNJJGV-LBPRGKRZSA-N 236.315 0.403 30 20 BCED C=CCN(C)CCCNC(=O)c1cn[nH]c1 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240.303 0.584 30 20 BCED C#CCNC(=O)CCN[C@H]1CCCC[C@H]1OC 1326146895 MZBXYVDNQLXFMU-NWDGAFQWSA-N 238.331 0.673 30 20 BCED COC[C@H](CCO)NC[C@H](C#N)CCC#N 1326202389 QBWHGSGXGNIACJ-QWRGUYRKSA-N 225.292 0.417 30 20 BCED C[C@H]1C[C@@H](NC(=O)CSCC#N)C(=O)O1 1329459620 BACKUDAIRDICSC-NKWVEPMBSA-N 228.273 0.063 30 20 BCED COCC#CC(=O)NC[C@@](C)(O)C(C)C 1330571159 LOYZSUJNEOAGQZ-LLVKDONJSA-N 213.277 0.159 30 20 BCED C=C[C@@](C)(O)CC(=O)NCc1cc(=O)cc[nH]1 1332187343 NUAPTRXAKNZUEG-GFCCVEGCSA-N 236.271 0.318 30 20 BCED C=CCn1nnnc1N1CCC[C@H]1C(C)(C)O 1332474854 YWPKICPBAUSADH-VIFPVBQESA-N 237.307 0.599 30 20 BCED C=CCn1nnnc1N(CCOC)CC(C)C 1333659938 SWQJDOVSWPEWJR-UHFFFAOYSA-N 239.323 0.968 30 20 BCED C#CC[C@H](CO)NC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1333842836 ZQRXRZPHHDYEEP-ZDEQEGDKSA-N 248.326 0.882 30 20 BCED C=CCn1nnnc1N1CC[C@@H](CN(C)C)C1 1334450095 XCXZODVDRGDXAR-JTQLQIEISA-N 236.323 0.247 30 20 BCED COC[C@H]1COCCN1c1cccc(C#N)n1 1335112570 HNXCFNOJJIRSKI-NSHDSACASA-N 233.271 0.805 30 20 BCED CCn1cnc2c1CCN(C(=O)C#CCOC)C2 1335322682 CKRBYTBWZREHBV-UHFFFAOYSA-N 247.298 0.438 30 20 BCED C#Cc1ccc(NCC(=O)NC(C)C)nc1 1336446441 QZZSYATXKVFQLA-UHFFFAOYSA-N 217.272 0.999 30 20 BCED N#Cc1ccc(C(=O)N[C@@H]2COC(=O)C2)c(F)c1 1337235146 CGBZHKRGHHTTJE-QMMMGPOBSA-N 248.213 0.743 30 20 BCED C#CC1(O)CN(C(=O)N[C@@H](C)[C@H](C)CC)C1 1342880907 OXGSOVWWGGNKIA-ZJUUUORDSA-N 224.304 0.811 30 20 BCED Cn1ncnc1COc1cnc(C#N)nc1 1343030444 GAHJYKYKXJAAPT-UHFFFAOYSA-N 216.204 0.056 30 20 BCED N#Cc1cccc(C(=O)NCc2nc[nH]n2)n1 1343688704 GRVNKZOOERTABP-UHFFFAOYSA-N 228.215 0.001 30 20 BCED COc1cc(C(=O)NCCC#N)ccn1 1344028559 BDBDRVLYUKNATR-UHFFFAOYSA-N 205.217 0.734 30 20 BCED CCN(CC#N)C(=O)Cc1nnc(N)s1 1346307295 LHWSDWKORKTGAP-UHFFFAOYSA-N 225.277 0.035 30 20 BCED C=C(C)CCC(=O)N1C[C@H](O)C[C@@]1(C)CO 1347190694 LFQCVOZVAVHXNS-PWSUYJOCSA-N 227.304 0.687 30 20 BCED N#Cc1cncn(CC2CCOCC2)c1=O 1347320398 PWTBVKPXURTUMI-UHFFFAOYSA-N 219.244 0.542 30 20 BCED COCC#CC(=O)N[C@@H](C)CSC 1347517830 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C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccncc2)C1 987779971 MEJNJAHBSWMLTN-YPMHNXCESA-N 243.310 0.907 30 20 BCED CC(C)C(=O)NC1[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]12 1012797553 WLBCDCKWQQMVQZ-IVZWLZJFSA-N 249.314 0.375 30 20 BCED C#CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1015721818 OXFSLQBXPNQVAF-UPJWGTAASA-N 248.326 0.401 30 20 BCED Cc1ccnc(C(=O)N2CC[C@H](NCC#N)C2)n1 1018780777 FGIOVMAAMWYRLH-JTQLQIEISA-N 245.286 0.113 30 20 BCED CCCC(=O)N1C[C@@H]2CC[C@H](C1)N2CC#N 1029189210 RFFJRGFPYBUSCB-PHIMTYICSA-N 221.304 0.985 30 20 BCED C=CCCN1CC(NC(=O)c2ccnn2C)C1 1030145622 DOAPMNUOEBNGJQ-UHFFFAOYSA-N 234.303 0.410 30 20 BCED C#CCN1CC(NC(=O)c2conc2C2CC2)C1 1030929296 ONDUNYNTLTZDCS-UHFFFAOYSA-N 245.282 0.599 30 20 BCED C#CCN1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 1032943717 GMMAJBNWABULGO-LLVKDONJSA-N 246.314 0.200 30 20 BCED Cc1n[nH]cc1C(=O)N(C)[C@H]1CCN(CC#N)C1 1033308379 JZUSUVSHWLFFGK-JTQLQIEISA-N 247.302 0.388 30 20 BCED C#CCN[C@H]1CCN(C(=O)COC)C[C@H]1C 1035871308 WPHKMKDOFDGQLV-MNOVXSKESA-N 224.304 0.093 30 20 BCED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CCC1 1037268877 XRRVBCVYNCBWAC-FRRDWIJNSA-N 232.327 0.999 30 20 BCED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cscn1 1037326895 SUJKQMCVFMJPGU-DVVUODLYSA-N 247.323 0.579 30 20 BCED CC#CCN1CC2(C[C@@H](NC(=O)CC)CO2)C1 1053709304 TYVWTCZDFFRKBE-LLVKDONJSA-N 236.315 0.379 30 20 BCED CN(C[C@@H]1CCN1CC#N)C(=O)c1ccccn1 1085444373 GDIHRSXJCZTUTC-NSHDSACASA-N 244.298 0.751 30 20 BCED CN(C[C@H]1CCN1CC#N)C(=O)[C@@H]1CC1(F)F 1085584942 PUIHYYGSPWZJKT-BDAKNGLRSA-N 243.257 0.698 30 20 BCED O=C(C#CC1CC1)NCCNc1cnc(F)cn1 1093609999 CPBYELSSRMUWHX-UHFFFAOYSA-N 248.261 0.557 30 20 BCED CC#CCN(C)c1nnnn1CCCF 1120247592 XONGHCNMUNWLTD-UHFFFAOYSA-N 211.244 0.492 30 20 BCED C=C(CC)C(=O)NCCN1CCOC[C@@H]1C 1123557222 OBIMAMLMCLAVAD-NSHDSACASA-N 226.320 0.790 30 20 BCED C#CCCNCCNC(=O)[C@H]1CCCOC1 1124690916 LADJHSDJLLZCIP-NSHDSACASA-N 224.304 0.142 30 20 BCED C=CCOCCCC(=O)NCCNCC#N 1125247828 IYMPTHYEMBWQBU-UHFFFAOYSA-N 225.292 0.199 30 20 BCED N#CCNCCNC(=O)C1(c2ccccn2)CC1 1127246455 RIIODKBAVPHPLB-UHFFFAOYSA-N 244.298 0.343 30 20 BCED C=CCCNCCNC(=O)c1c(C)ncn1C 1129962561 FVJABXWNQRXWDT-UHFFFAOYSA-N 236.319 0.624 30 20 BCED C=C(C)CNCCNC(=O)[C@@H]1CO[C@H](C)C1 1130503498 IMWCGZHGGCMNCH-MNOVXSKESA-N 226.320 0.693 30 20 BCED N#CCNCCNC(=O)c1ccc2cncn2c1 1131370105 DBOCYVFHPOVIGD-UHFFFAOYSA-N 243.270 0.177 30 20 BCED CC#CCNCCNC(=O)Cc1cncc(C)c1 1131864122 STAFZWXZFFLUJJ-UHFFFAOYSA-N 245.326 0.662 30 20 BCED C=C(C)CNCCNC(=O)c1cnc(O)cc1C 1133656919 NNZCZRBYOVIRPB-UHFFFAOYSA-N 249.314 0.991 30 20 BCED CN(CC#N)C(=O)[C@@H]1C[C@H]1c1cncn1C 1136490942 YDIDGPQMKTZJKJ-RKDXNWHRSA-N 218.260 0.506 30 20 BCED CC#CCNCCNC(=O)[C@@H](C)c1cccnc1 1148235614 LXNOPAPLSHPWAE-LBPRGKRZSA-N 245.326 0.914 30 20 BCED C=CCNCCNC(=O)CCN(C)CCC 1148570807 MUWWZDOCHDDWAO-UHFFFAOYSA-N 227.352 0.610 30 20 BCED C#CCNCCNC(=O)COc1ccccc1 1148859265 HSTGUDFESXUEKR-UHFFFAOYSA-N 232.283 0.404 30 20 BCED C#CCNCCNC(=O)c1scnc1Cl 1151239420 BPQJODRDMQIUDZ-UHFFFAOYSA-N 243.719 0.749 30 20 BCED C#CCOCCC(=O)NCCCNCCCF 1157859644 ROYRDEDEQSHAKT-UHFFFAOYSA-N 244.310 0.482 30 20 BCED N#CCNCCCNC(=O)c1cc[nH]c1 1158596112 VCPHOEZMGRCVKJ-UHFFFAOYSA-N 206.249 0.248 30 20 BCED C=C[C@H](C)[C@@H](C)C(=O)NCCCNCC(N)=O 1164222101 IGFAYEBAIIUQBM-VHSXEESVSA-N 241.335 0.026 30 20 BCED CCCN(C[C@H](O)CC#N)[C@H](C)C(=O)OCC 1169934215 YHSFWXWJLRYSHL-GHMZBOCLSA-N 242.319 0.925 30 20 BCED CCCOCC(=O)N1CC[C@@H](NCC#N)C1 1181427419 NHVIPZDJFOPQHA-SNVBAGLBSA-N 225.292 0.127 30 20 BCED Cc1cnn(CC(=O)NCCCN(C)CC#N)c1 1234623148 RSXFFXPORYCRBK-UHFFFAOYSA-N 249.318 0.153 30 20 BCED C#CCN(CC1CC1)C(=O)Cc1cncn1C 1261084935 PAEKYNAEWHPYIC-UHFFFAOYSA-N 231.299 0.834 30 20 BCED C=C(CO)C(=O)N[C@H](CC1CC1)C(=O)OCC 1261914398 CZVOVHNOZKFWIK-SNVBAGLBSA-N 241.287 0.383 30 20 BCED C#CCCCNC(=O)C(=O)NC/C=C/Cl 1262253822 ZNPIJECYZMSNBR-AATRIKPKSA-N 228.679 0.385 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](O)c1ccccn1 1262627334 ORWSJSBGSYOCND-USWWRNFRSA-N 248.282 0.575 30 20 BCED C=CCCC[C@@H](N)C(=O)NCc1cnnn1C 1263284864 OIHBSOGAKWELBC-SNVBAGLBSA-N 237.307 0.115 30 20 BCED C=CC[C@H](NC(=O)c1ocnc1CC)C(=O)O 1263630600 QUSXDXLAPFSNBQ-QMMMGPOBSA-N 238.243 0.996 30 20 BCED Cn1c(C#N)ccc1C(=O)N[C@H]1CCOC1 1263983636 WXLQKBKUKDCLQL-QMMMGPOBSA-N 219.244 0.415 30 20 BCED CCc1nc(CNC(=O)NC[C@H](C)C#N)n[nH]1 1312481977 ZDKAEZSAMCTJNZ-SSDOTTSWSA-N 236.279 0.326 30 20 BCED COc1cc(O)ccc1C=NN[C@@H](C)CO 1319401690 XYMLKQODIWQPRR-QMMMGPOBSA-N 224.260 0.705 30 20 BCED CN(Cc1nncn1C)C[C@@H](C#N)CCC#N 1322672974 UDSWCIXJPIKNBI-SNVBAGLBSA-N 232.291 0.690 30 20 BCED C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 1326260104 KFGGTZZAGMORHH-GARJFASQSA-N 249.314 0.806 30 20 BCED N#Cc1cccc(NC(=O)CO[C@@H]2CCOC2)n1 1326630137 VBDPZORSGRCRIJ-SNVBAGLBSA-N 247.254 0.697 30 20 BCED C=C[C@](C)(O)C(=O)NCc1cccnn1 1328677293 YKDNLFQDELWHAY-JTQLQIEISA-N 207.233 0.030 30 20 BCED C[C@@H](C#N)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1328843226 ILAVQCIDXNEUTI-QWRGUYRKSA-N 249.314 0.617 30 20 BCED N#CCC1(O)CN(Cc2cccc(C#N)n2)C1 1331067642 RSRIIWVPQJDPJX-UHFFFAOYSA-N 228.255 0.414 30 20 BCED C=CCC[C@H](O)CN1CC[C@](OC)(C(=O)O)C1 1331736672 NWUGGFMOVXXNQH-CMPLNLGQSA-N 243.303 0.489 30 20 BCED Cc1nc[nH]c1C=Nn1nnc(C)c1C 1331983412 MLFDRDXGICSGEN-UHFFFAOYSA-N 204.237 0.809 30 20 BCED C=CC[C@@H]1NC(=O)N(C[C@@H]2CC(C)=NO2)C1=O 1332365944 QWJNLYGLXSOILW-IUCAKERBSA-N 237.259 0.648 30 20 BCED C=CC[C@H]1NC(=O)N(CCn2cccc2)C1=O 1332379637 PSYOVDZAUUXMLW-SNVBAGLBSA-N 233.271 0.985 30 20 BCED C=CC[C@@H](NC(=O)c1c(C)cnn1C)C(=O)O 1332614266 VGVZJNZFUZWWHZ-MRVPVSSYSA-N 237.259 0.488 30 20 BCED C#CC[C@H](CCOC)NC(=O)NCCOCC 1332902980 QTXQIIRMYBWEBQ-LLVKDONJSA-N 242.319 0.751 30 20 BCED C=C[C@H](COC)NC[C@H](OC)[C@H]1CCOC1 1333371071 OAXDEMBBOAYHAC-TUAOUCFPSA-N 229.320 0.829 30 20 BCED C=CC[C@@H](NC(=O)[C@@H](O)CCC)C(=O)OCC 1333957619 GXDRJIKPAQCSOS-ZJUUUORDSA-N 243.303 0.771 30 20 BCED CC(C)(C#N)C(=O)NC[C@@H](O)c1cccnc1 1335042622 JOJNYFMTHRBTAB-SNVBAGLBSA-N 233.271 0.781 30 20 BCED C=C[C@H](COC)NS(=O)(=O)c1ccco1 1338591626 FZXYLHSAPZTLQC-MRVPVSSYSA-N 231.273 0.759 30 20 BCED C[C@@H](O)c1nnc(N2CCC(CC#N)CC2)n1C 1341529529 MAFCMKZEPPTVMJ-SECBINFHSA-N 249.318 0.998 30 20 BCED C#CCNCC(=O)NC1CCN(CC2CC2)CC1 1341556166 VOXVNFYFKNZSIU-UHFFFAOYSA-N 249.358 0.200 30 20 BCED Cc1conc1C(=O)[C@H](C#N)C(=O)NC1CC1 1341956442 XLLAFSOQWPXIKN-QMMMGPOBSA-N 233.227 0.584 30 20 BCED Cn1ccnc1[C@H](C#N)C(=O)c1cnnn1C 1342167946 XIZVGGWQFAEWLH-SSDOTTSWSA-N 230.231 0.039 30 20 BCED C=C[C@H](COC)NC(=O)CCn1ccnc1 1342763148 SWYVDZZIXGRSHB-SNVBAGLBSA-N 223.276 0.590 30 20 BCED C#CCC[C@@H](C)OC(=O)c1cc(=O)n(C)cn1 1343492437 VDNYGOWBIHWXHP-SECBINFHSA-N 234.255 0.739 30 20 BCED C#C[C@@H](NC(=O)N[C@]1(C)CCOC1=O)C(C)C 1345906023 OKMGRFTUMUDUNF-BXKDBHETSA-N 238.287 0.649 30 20 BCED CCN(C[C@H]1CN(C)C(=O)O1)[C@@H](C)C#N 1347146041 VPCLCIYQBKCCDC-DTWKUNHWSA-N 211.265 0.671 30 20 BCED N#Cc1ccsc1C(=O)N1CC(C(N)=O)C1 1347406459 JRJVLMWBPWHFRE-UHFFFAOYSA-N 235.268 0.177 30 20 BCED C#CCOCCN(C)C[C@H]1CN(C)C(=O)O1 1347642826 OUGOIBQEIMFYDD-JTQLQIEISA-N 226.276 0.019 30 20 BCED C=C(C)CCC(=O)NCCN(C)CC(=O)OC 1353619719 GAZLQXKEHHRTDB-UHFFFAOYSA-N 242.319 0.564 30 20 BCED N#Cc1cnnc(Nc2cnn(CCO)c2)c1 1458146352 YOZNKOYRHJIPTC-UHFFFAOYSA-N 230.231 0.281 30 20 BCED C#CCNCC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 1521374347 ZRCNPAYTBYJPKJ-ZIAGYGMSSA-N 242.322 0.957 30 20 BCED C[C@@]1(OC(=O)c2cccc(C#N)n2)CNC(=O)C1 1525858183 HBPVJWBSEMZOHZ-LBPRGKRZSA-N 245.238 0.389 30 20 BCED N#CCC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1556918094 YRYPCBBIPUUNPJ-RKDXNWHRSA-N 221.260 0.170 30 20 BCED CC[C@@H](CO)C(=O)Nc1nc(C#N)c(C#N)[nH]1 1557256053 XRFBKZGFCYIABJ-LURJTMIESA-N 233.231 0.110 30 20 BCED C=C[C@@H](C)NC(=O)c1coc(-c2nn[nH]n2)c1 1573315086 AJBYUAICSZUZMJ-ZCFIWIBFSA-N 233.231 0.764 30 20 BCED C=C[C@@H](COC)NC(=O)NCCCNC(C)C 1574872148 HXKQERZLQZLQQF-NSHDSACASA-N 243.351 0.875 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)[C@]12CNC[C@@H]1C2 1574959454 GCVDVYXAMOBLGM-MIZYBKAJSA-N 222.288 0.056 30 20 BCED C[C@H](CC#N)N(C)C(=O)C(C)(C)n1ccc(N)n1 1575910801 BATCFUFIQPSRJQ-SECBINFHSA-N 249.318 0.961 30 20 BCED C[C@@H]1CC(=NC(=O)c2ccnc(N)c2)NO1 1576625020 WIPXHSWOLXVKNE-ZCFIWIBFSA-N 220.232 0.516 30 20 BCED C[C@@]12CNC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1579474049 WMTBZUPTYWWARW-MFKMUULPSA-N 244.298 0.568 30 20 BCED N#CC1(CNC(=O)N[C@H]2C[C@H](CN)C2)CCC1 1580038675 QHNZXGZVIGCKQE-MGCOHNPYSA-N 236.319 0.717 30 20 BCED C#C[C@H](CC)N=c1cc[nH]c(-c2nn[nH]n2)c1 1588327200 DRSMKPBJHOXBQV-MRVPVSSYSA-N 228.259 0.507 30 20 BCED C#CCN(CC(=O)O)C(=O)c1ccn(C)c1 1588419040 NITOFAFKLSYRSK-UHFFFAOYSA-N 220.228 0.185 30 20 BCED C#CCOCCN1C[C@@H](C)C[C@@H](C(=O)O)C1 1588430951 ILGHBIFTIBIJGI-WDEREUQCSA-N 225.288 0.679 30 20 BCED C=C(C)[C@H](C)OC(=O)[C@@](C)(OC)C(=O)O 1588440015 XSSRZUZTVHDRKS-XVKPBYJWSA-N 216.233 0.984 30 20 BCED C=C(CC)CNC(=O)[C@@]1(C(=O)O)CCCO1 1588444882 XECGJNYFXJWEJO-LLVKDONJSA-N 227.260 0.703 30 20 BCED C=C[C@H](NCc1cc(C(=O)O)co1)C(=O)OC 1588700773 LEJRNWIWSBSHPD-VIFPVBQESA-N 239.227 0.795 30 20 BCED C=CC[C@@H](N[C@@H]1CCO[C@H]1C=C)C(=O)O 1588751352 MCKKZEPSZAVQOO-BBBLOLIVSA-N 211.261 0.949 30 20 BCED CC(C)(O)CCNC(=O)[C@](C)(C#N)CC(=O)O 1588795921 UEGABEOOGWMVMR-NSHDSACASA-N 242.275 0.268 30 20 BCED C[C@@H](CNC(=O)c1ccnc(C#N)c1)C(=O)O 1589063660 MUFGTTHPJORCGD-ZETCQYMHSA-N 233.227 0.404 30 20 BCED C[C@@H](OC(=O)C#Cc1ccccc1)C(=O)C(=O)O 1593482148 PKWKVIOZJYROPL-SECBINFHSA-N 246.218 0.624 30 20 BCED OCC#CCNc1cccc(F)c1-c1nn[nH]n1 1593523326 VEJVHMTVOIOREX-UHFFFAOYSA-N 247.233 0.413 30 20 BCED CO[C@](C)(C(=O)O)C(=O)N[C@@H](C#N)CC(C)C 1593925086 JXSXRHSGUCGZGF-KCJUWKMLSA-N 242.275 0.531 30 20 BCED CC[C@@H](C(=O)O)C(=O)N[C@](C)(C#N)COC 1594747923 NJPPDDPYULVZLN-GMSGAONNSA-N 228.248 0.142 30 20 BCED C#CCN(CC(=O)O)Cc1cccnc1[N+](=O)[O-] 1602699652 XWXVGLVRXCDMAL-UHFFFAOYSA-N 249.226 0.510 30 20 BCED C=CC[C@H](OC(=O)c1cnn(CC)n1)C(=O)O 1602850685 YBZZGLPDLUZEKV-QMMMGPOBSA-N 239.231 0.484 30 20 BCED C=CCCC[C@@H](NC(=O)[C@H]1CCCN1)C(=O)O 1602866062 VMASMMYYRXSYFJ-NXEZZACHSA-N 240.303 0.664 30 20 BCED CC(C)(C#N)COC(=O)[C@H]1CC[C@@H](C(=O)O)O1 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ZZXPSZAKADPCIV-UHFFFAOYSA-N 229.247 0.360 30 20 BCED C[C@@H](C#N)CNC(=O)NCCn1ccnc1 611613813 PVRPXIDDOQZEFU-VIFPVBQESA-N 221.264 0.342 30 20 BCED C=C[C@H](O)C(=O)NC[C@H](CCO)c1ccccc1 612145234 GPIPOBHLHORJEU-STQMWFEESA-N 249.310 0.816 30 20 BCED C=C[C@H](O)C(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 612412852 KKSVRQOLKMGJTA-IZOAKFFESA-N 207.273 0.694 30 20 BCED C=CCN(C)C(=O)[C@H](CCC)S(N)(=O)=O 613664913 LLWYMVKLCPVWHM-QMMMGPOBSA-N 234.321 0.088 30 20 BCED CCOC(=O)[C@@](C)(O)CN1CC[C@@](F)(C#N)C1 615644599 KGOIFYZLSJVSSA-WDEREUQCSA-N 244.266 0.238 30 20 BCED C=CCCNC(=O)c1nc2ncc(C)cn2n1 617611664 IPZDJXHSTFBLTI-UHFFFAOYSA-N 231.259 0.739 30 20 BCED C=CCCNC(=O)[C@@H](C)CS(C)(=O)=O 617615871 AFVRSGXPCZWSEZ-QMMMGPOBSA-N 219.306 0.359 30 20 BCED C=C[C@@](C)(O)C(=O)NCC(=O)C1CCCC1 628991119 PIEDWELUDMBHMT-GFCCVEGCSA-N 225.288 0.799 30 20 BCED C=CC[C@H](CO)CN[C@H]1CCCNC(=O)C1 638830911 UBEREADEYVIGLG-QWRGUYRKSA-N 226.320 0.429 30 20 BCED C=CCOCCNC[C@@H](OC)[C@@H]1CCOC1 638969001 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C=C(C)CS(=O)(=O)N1CCc2c[nH]nc2C1 684763517 RDRWFWRZDPZJBA-UHFFFAOYSA-N 241.316 0.674 30 20 BCED C#CCCCCCN1CC[C@@](O)(C(=O)O)C1 686692274 INWLUYNJSGDBQG-LBPRGKRZSA-N 225.288 0.701 30 20 BCED C#CC1CCN(C(=O)Cn2cccn2)CC1 692336009 JOHVUYWQCXWVEU-UHFFFAOYSA-N 217.272 0.755 30 20 BCED C#C[C@H](CC)NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 693409429 JHOFWKOMBITXQO-HLTSFMKQSA-N 224.260 0.561 30 20 BCED C=CC[C@H](NC(=O)N[C@@H]1COC[C@@H]1C)C(=O)O 699563409 GAWOGZUASIVHGA-XHNCKOQMSA-N 242.275 0.350 30 20 BCED C#CCCS(=O)(=O)N1CC[C@H](C)[C@@H]1CO 710938147 JWMZKLUXYDSFIF-UWVGGRQHSA-N 231.317 0.042 30 20 BCED C#CCCCS(=O)(=O)N1CC(O)(C(C)C)C1 711065016 VEPOZYXTVMQPTL-UHFFFAOYSA-N 245.344 0.432 30 20 BCED C#CCCS(=O)(=O)N[C@@H]1C[C@@H](OC)C1(C)C 711158706 IBWIIRHLABANRF-NXEZZACHSA-N 245.344 0.743 30 20 BCED C=CCCC(C)(C)NC(=O)C[C@@H](O)CN 717689043 CTMCQUBIAQBZCB-SECBINFHSA-N 214.309 0.557 30 20 BCED C#CC[C@H](CO)Nc1ncnc2[nH]ccc12 717738052 AOIANZUADVNHSQ-MRVPVSSYSA-N 216.244 0.754 30 20 BCED C#CC[C@@H](CO)NCc1cn(CCC)nn1 717841292 RGPWDOKLGVISMV-JTQLQIEISA-N 222.292 0.162 30 20 BCED CCOCC(C)=NNC(=S)N[C@@H](C)COC 726417490 LQXNXUAHDOQARN-QMMMGPOBSA-N 247.364 0.898 30 20 BCED C#Cc1ccc(C(=O)NCCC(=O)OC)nc1 728859290 SHDQEHAKCFHNIZ-UHFFFAOYSA-N 232.239 0.356 30 20 BCED CC(CS(C)(=O)=O)=NNc1cnccn1 732528732 WOOUBPJKXJACLR-UHFFFAOYSA-N 228.277 0.309 30 20 BCED C=CCCOCC(=O)OCCCCO 733466494 JLZVNJFZGOROCD-UHFFFAOYSA-N 202.250 0.895 30 20 BCED C=C(Cl)CNC(=O)c1cnc(OC)nc1 736246936 RBGUOVVPQBMUBD-UHFFFAOYSA-N 227.651 0.968 30 20 BCED N#CCC[C@H](C#N)CN1CCO[C@H](C(=O)O)C1 738428733 RJRMYNCHKVPYCF-ZJUUUORDSA-N 237.259 0.215 30 20 BCED Cc1nnc(NN=Cc2ccc(CO)o2)nc1O 739400147 MCZIVRQJWGVKDE-UHFFFAOYSA-N 249.230 0.417 30 20 BCED CCC(C)(C)CC(=O)OCC(=O)NCC#N 745774133 GINWRFRUGWZIIR-UHFFFAOYSA-N 226.276 0.996 30 20 BCED C[C@@H](C#N)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751641701 QTOLGFNHJGEMOF-JGVFFNPUSA-N 248.242 0.218 30 20 BCED C#CCOCCNC(=O)N(C)C[C@H](C)C#N 753377492 CAZJTJIJQGDAFO-SNVBAGLBSA-N 223.276 0.437 30 20 BCED C=CCNC(=O)COC(=O)c1ccc(C)cn1 753487280 BUEUFDVIUIKWFL-UHFFFAOYSA-N 234.255 0.849 30 20 BCED CNC(=O)CNC(=S)NN=CCC(C)(C)C 755722487 PUAYJVXYTPLICY-UHFFFAOYSA-N 244.364 0.619 30 20 BCED C#CCCCN1CC[C@H](NC(=O)NC2CC2)C1 760895737 CTHOWFKFDBXIHM-LBPRGKRZSA-N 235.331 0.936 30 20 BCED C#CCOCCOC(=O)/C=C\c1cnn(C)c1 762712138 BWTGJSQIRSTIQO-PLNGDYQASA-N 234.255 0.626 30 20 BCED CC#CC(=O)Nc1ccc(C)c(-n2cnnn2)c1 764216738 ODECIEVMISHEED-UHFFFAOYSA-N 241.254 0.933 30 20 BCED C=CCS(=O)(=O)NC(=O)/C=C\CCC 772720490 NIRXMSVMTFTMOB-SREVYHEPSA-N 217.290 0.975 30 20 BCED C#C[C@@H](NC(=O)NCc1cocn1)[C@@H]1CCCO1 773292638 ONHMTZHDGQPNSD-MNOVXSKESA-N 249.270 0.655 30 20 BCED CON=CC(=O)NCC#Cc1ccccc1 773749453 QMDFJWUHEPACPP-UHFFFAOYSA-N 216.240 0.787 30 20 BCED C=C(CN(C)C)C(=O)N1CCOC2(CCC2)C1 774094330 XESLYBIQQXQLMZ-UHFFFAOYSA-N 238.331 0.886 30 20 BCED CCC[C@H](O)CC(=O)N=C1C[C@@H](C)ON1 777435025 CDULMLYNXWNETB-SFYZADRCSA-N 214.265 0.776 30 20 BCED C#CCOCCC(=O)NC1(CO)CCCC1 778942323 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30 20 BCED COC[C@H](C#N)OC(=O)c1cc(C=O)[nH]c1C 801411444 YAHSIYRSMGMYHN-VIFPVBQESA-N 236.227 0.831 30 20 BCED C#CCCCNC(=O)C(=O)NCCCCC=C 806912147 WGIUXZWDHAHOJT-UHFFFAOYSA-N 236.315 0.989 30 20 BCED C#C[C@H](NC(=O)NCC[S@@](C)=O)C(C)(C)C 808272479 LDYIOFXWXZBTNM-XXFAHNHDSA-N 244.360 0.712 30 20 BCED CCOC(=O)C1CCN(C[C@H](O)CC#N)CC1 809570862 CWEVNGRQUVAYDP-LLVKDONJSA-N 240.303 0.536 30 20 BCED CON=CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 809690382 OWQBAFLITVVKDB-SZEHBUNVSA-N 226.276 0.548 30 20 BCED COCCC(=O)COC(=O)c1cccc(C#N)n1 811251668 LDQPUPVDMWNFSK-UHFFFAOYSA-N 248.238 0.716 30 20 BCED C#CCNC(=O)NCc1ccc(CC(N)=O)cc1 811654856 XRUFRYPOLTYGDE-UHFFFAOYSA-N 245.282 0.147 30 20 BCED Cn1ncc(C=NNc2ncccc2F)n1 814927573 VJZFJFBBGXXZNP-UHFFFAOYSA-N 220.211 0.795 30 20 BCED CC(=NNCC(=O)O)c1ccc2n[nH]cc2c1 814958636 HYLLHLLTICUNKK-UHFFFAOYSA-N 232.243 0.961 30 20 BCED N#CCCNC(=O)CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 815159504 BQYOGSWSDLPTDM-ZDEQEGDKSA-N 247.342 0.994 30 20 BCED C#CCCCC(=O)N[C@@H]1C(=O)OCC1(C)C 816585511 LKMDVVNISAREDW-SNVBAGLBSA-N 223.272 0.858 30 20 BCED C=CCC[C@@H](O)CN(C)CCC(=O)O 817681151 ZYGAZCUNXOUWDZ-SECBINFHSA-N 201.266 0.720 30 20 BCED C=C[C@@H]1OCCC[C@H]1NCCS(C)(=O)=O 819351085 UHDDHHJVBFDSIP-ZJUUUORDSA-N 233.333 0.354 30 20 BCED C=CC[C@@H](CO)CN[C@@H](C)CC(=O)O 819713590 VHPQERRNGFRGAO-DTWKUNHWSA-N 201.266 0.624 30 20 BCED COC(=O)C(C)(C)NC(=O)C#CC(C)C 821721841 AUCPUQFSAWHRBW-UHFFFAOYSA-N 211.261 0.714 30 20 BCED C#C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C(C)C 822666171 DRDAFBJZLLLYFL-SECBINFHSA-N 233.271 0.168 30 20 BCED CCN(CC#N)C(=O)/C=C\c1ccc(C(N)=O)o1 823543295 SABYUKKQTOLNSW-XQRVVYSFSA-N 247.254 0.764 30 20 BCED C#CCO[C@H](C)C(=O)NCCNC(C)(C)C 825985093 XTROHHLYHYAMFR-SNVBAGLBSA-N 226.320 0.529 30 20 BCED CCCCNC(=O)CCN(CC#N)CC(=O)O 829396958 ZVEZFNDQOBEUOO-UHFFFAOYSA-N 241.291 0.203 30 20 BCED N#Cc1ccc(F)c(C(=O)N[C@H]2C[C@@H](O)C2)c1 830555507 XWFDTFPMKSSSMF-DTORHVGOSA-N 234.230 0.950 30 20 BCED C#CCOCCNC(=O)Nc1cccc(C#N)n1 831884609 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0.993 30 20 BCED C=CCN(C)CC(=O)N[C@H](C(=O)OC)C(C)C 351578418 HJQSAAPCJXDOQY-NSHDSACASA-N 242.319 0.418 30 20 BCED C=CCNC(=O)CN1C[C@H](C)N(C)C[C@@H]1C 351928805 WFJWQXVUGNQCEK-QWRGUYRKSA-N 225.336 0.313 30 20 BCED CC[C@@](C)(C#N)C(=O)N[C@H](COC)C(=O)OC 354737295 UCJQGOLGPUOTMV-KCJUWKMLSA-N 242.275 0.230 30 20 BCED COC(=O)[C@@H](C)CC(=O)N=c1cc[nH]cc1C#N 354868690 VPYFCQZGXBJZAZ-QMMMGPOBSA-N 247.254 0.513 30 20 BCED CN(CC#N)C(=O)c1ccc2nc[nH]c2n1 355584126 XIBGBQFVHSFTLE-UHFFFAOYSA-N 215.216 0.553 30 20 BCED CO[C@H](CNC(=O)CSCC#N)C1CC1 358117630 GSDYKTOAKTXESJ-SECBINFHSA-N 228.317 0.784 30 20 BCED CCc1ncc(S(=O)(=O)N(C)CC#N)s1 359648475 DCSPZRYVQOIAFQ-UHFFFAOYSA-N 245.329 0.850 30 20 BCED C[C@H]1CN(C)C[C@H]1C(=O)N(CC#N)CC#N 362724081 AJHFENBEYADUHZ-VHSXEESVSA-N 220.276 0.060 30 20 BCED C[C@H]1CC(=NN[C@H](C)CO)CC[C@@H]1C(=O)O 378666019 GGVVFHMXTUPGRF-XKSSXDPKSA-N 228.292 0.834 30 20 BCED C[C@@H]1[C@H](N[C@@H]2CC[C@@H](C#N)C2)CCS1(=O)=O 381494504 ZSWGVNNZDNHRIA-GWOFURMSSA-N 242.344 0.844 30 20 BCED C#C[C@@H](NCCC(=O)OCC)[C@H]1CCCO1 381617632 WHHFVQMFFRLGIE-GHMZBOCLSA-N 225.288 0.710 30 20 BCED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1nncn1C 383396326 AKIDKSGVGJVBQW-IUCAKERBSA-N 233.275 0.638 30 20 BCED C=CCNC(=O)CN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 393850118 QMKRDJFQLNRHKO-WHOHXGKFSA-N 238.331 0.834 30 20 BCED N#Cc1ccc(C(=O)N2CCCCN2)nc1 400383577 YYJKAUHMNFCDCU-UHFFFAOYSA-N 216.244 0.694 30 20 BCED C#CCNC(=O)[C@@H](C)N1CCC(CCO)CC1 401156851 RMCHUIYSBBDBPL-LLVKDONJSA-N 238.331 0.219 30 20 BCED N#Cc1cncc(N[C@H]2CCCOC2)n1 401321948 HTUKZUVTDXMJQA-QMMMGPOBSA-N 204.233 0.939 30 20 BCED C[C@H]1C[C@@H](O)CN(c2ncncc2C#N)C1 401741292 KWDGLRWLSBBSGV-WCBMZHEXSA-N 218.260 0.555 30 20 BCED CCc1nc(C(=O)N2CCOC[C@@H]2C#N)co1 408194752 YNXDCYMTKRCPGW-QMMMGPOBSA-N 235.243 0.602 30 20 BCED C=CCS(=O)(=O)NC(=O)C1CC(C)C1 408269814 MCTNIKUXAPIUQN-UHFFFAOYSA-N 217.290 0.665 30 20 BCED C[C@H]1CN(CC2(C#N)CC2)C[C@H](CO)O1 408276782 LACRJKLESLZKGN-VHSXEESVSA-N 210.277 0.372 30 20 BCED C[C@H](NC(=O)CC#N)C1=CCN(C)CC1 408324346 LALJUTIWJODUGG-VIFPVBQESA-N 207.277 0.667 30 20 BCED C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@H]1C 408337174 FDIIRUSTYLXJTC-UWVGGRQHSA-N 245.348 0.807 30 20 BCED COC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCO1 408384170 YVFWCUVJSUVWEM-DCAQKATOSA-N 238.287 0.552 30 20 BCED CC[C@H](C(=O)N1CCSC[C@H]1C#N)[C@H](C)O 419937977 HCDBPSADBCDQRT-AEJSXWLSSA-N 242.344 0.861 30 20 BCED C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H](N)C1 424213342 TYIMLPPDRYRUNQ-YFKTTZPYSA-N 238.331 0.821 30 20 BCED C=C(C)CS(=O)(=O)NC[C@@H](COC)OC 435426125 GOWVOYSWPHERJW-VIFPVBQESA-N 237.321 0.143 30 20 BCED CC#CCCNS(=O)(=O)c1ccco1 445745679 UGRYSKJFYOROTE-UHFFFAOYSA-N 213.258 0.971 30 20 BCED C=CC(C)(C)C(=O)N(C)CC(=O)N(C)C 448596201 DIESRLHEWXDRGF-UHFFFAOYSA-N 212.293 0.745 30 20 BCED C=C(CC)CNC(=O)NCCCC(=O)NC 454621577 OUGKHGACDSPGGE-UHFFFAOYSA-N 227.308 0.778 30 20 BCED CCOC1CN(C(=O)NCC(C)(C)C#N)C1 458652604 NQKDQVCZMVIIEW-UHFFFAOYSA-N 225.292 0.966 30 20 BCED C=CCCCS(=O)(=O)NC[C@@H](C)OC 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206.274 0.805 30 20 BCED C#CCN(C)C(=O)NCCC[C@@H]1CCCN1 491782373 LXAYAOYLTGZOQO-NSHDSACASA-N 223.320 0.793 30 20 BCED C#C[C@H](CCC)NC(=O)C[C@@H]1COC(=O)C1 491816519 HVNDPVLMGNMRBZ-VHSXEESVSA-N 223.272 0.858 30 20 BCED C=C(C)CNS(=O)(=O)N1CCOC(C)(C)C1 492211530 SYIIRQTWECYEAU-UHFFFAOYSA-N 248.348 0.508 30 20 BCED N#Cc1cc(C(=O)NCC23CC(CO2)C3)c[nH]1 529871028 JUFFUAMQTVRAKO-UHFFFAOYSA-N 231.255 0.795 30 20 BCED C[C@@H](C#N)C(=O)NC[C@H](CO)Cc1ccco1 532861633 BQEFMCRMSZIAPG-VHSXEESVSA-N 236.271 0.706 30 20 BCED CC[C@](C)(C#N)C(=O)N1CC[C@@H](CO)[C@H](O)C1 557012542 XGKVQTSICPOPLK-HOSYDEDBSA-N 240.303 0.128 30 20 BCED COC(=O)[C@H]1CCCC[C@H]1C(=O)NCC#N 562296888 UAXKVYHZJSEXRF-BDAKNGLRSA-N 224.260 0.606 30 20 BCED CN(CC(C)(C)CO)c1cc(C#N)ncn1 565991561 KGPQZOPQULMAFZ-UHFFFAOYSA-N 220.276 0.803 30 20 BCED C=CCN(CCOC)C(=O)C(C)(C)CO 568205405 MUODOBMDSIIHPL-UHFFFAOYSA-N 215.293 0.666 30 20 BCED C=CCCS(=O)(=O)NC(C)(C)C(=O)O 580950706 UTQJNRRJKQIFMD-UHFFFAOYSA-N 221.278 0.345 30 20 BCED C[C@@H](C#N)CNC(=O)NCCC1(O)CCC1 582956741 SATXEHFVGGTMOQ-VIFPVBQESA-N 225.292 0.750 30 20 BCED N#Cc1cc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)ccn1 589871095 CRCVZXPSSAXUOJ-GDNZZTSVSA-N 215.256 0.628 30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@@H](C(=O)OCC)C1 590415874 SPQRTKLZPVEZFK-NXEZZACHSA-N 241.287 0.335 30 20 BCED CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 591796684 USPXQYVFDWRLNQ-VHSXEESVSA-N 237.303 0.710 30 20 BCED N#CCCCNC(=O)NCCC1CCNCC1 593708867 RMLGGVJPHJOWFH-UHFFFAOYSA-N 238.335 0.979 30 20 BCED CC(C)(CC#N)CS(=O)(=O)NC/C=C/CO 594818612 DXIFCCJWBBCGGT-ONEGZZNKSA-N 246.332 0.394 30 20 BCED C=C[C@H](CO)NCC[S@@](=O)c1ccccc1 595864353 ZNIREICTXQZMGD-BDJLRTHQSA-N 239.340 0.931 30 20 BCED Cc1cc(C#N)nc(N2CC[C@@H](F)[C@H](N)C2)n1 596033766 WAWHDHUYNSWHQA-NXEZZACHSA-N 235.266 0.532 30 20 BCED C=C[C@@H](NCCOCCF)C(=O)OC 596047917 CKWZIGUBGAFPMS-MRVPVSSYSA-N 205.229 0.290 30 20 BCED Cc1nc(CC(=O)N[C@H](C#N)CC(C)C)n[nH]1 597075978 NHKBIOODDCLHMO-VIFPVBQESA-N 235.291 0.710 30 20 BCED CCc1nocc1C(=O)N[C@](C)(C#N)COC 597381577 GTIFBLXQKHPVRY-LLVKDONJSA-N 237.259 0.895 30 20 BCED CC[C@H](O)CN1N=C(C)[C@H](CCC#N)C1=O 601946229 OYLWOWFFMMLIDJ-UWVGGRQHSA-N 223.276 0.895 30 20 BCED CCOC(=O)CCC(=O)Cn1cc(C#N)nn1 603332814 AEUJZJAIPDTWAY-UHFFFAOYSA-N 236.231 0.062 30 20 BCED C=CCCOCC(=O)N(C)C[C@@H](C)C(=O)OC 604437327 OKIUMKNOJXBUHA-SNVBAGLBSA-N 243.303 0.847 30 20 BCED CC[C@H](C#N)NC(=O)CCn1ccccc1=O 608816995 AXTDPAAFUPJZLL-SNVBAGLBSA-N 233.271 0.657 30 20 BCED CCC[C@H](C#N)NC(=O)[C@H](C)NC(C)=O 609582150 UFQCLTZVSSYBOH-IONNQARKSA-N 211.265 0.319 30 20 BCED COC[C@@H](NC1CCN(CC#N)CC1)C1CC1 610813670 PACRKVQEDORHFE-CYBMUJFWSA-N 237.347 0.989 30 20 BCED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CF 614886018 MUMFBIFCENWNGK-WPRPVWTQSA-N 230.283 0.932 30 20 BCED C=C[C@](C)(O)C(=O)NC[C@@H]1CC[C@H](C)O1 616201914 ROPDECQBEUHBNK-QXEWZRGKSA-N 213.277 0.607 30 20 BCED C=C[C@H](CO)NC(=O)c1n[nH]c2c1CCCC2 620590144 KVNAOICDPZXAEA-MRVPVSSYSA-N 235.287 0.565 30 20 BCED CC#CCNC(=O)c1cc(CO)c(C)o1 632195965 MKHHUEOYEAYNKK-UHFFFAOYSA-N 207.229 0.833 30 20 BCED CC(C)(C)c1[nH]cnc1C(=O)NCC#CCO 632908228 UPTKRCBGMNSZJZ-UHFFFAOYSA-N 235.287 0.433 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[C@@H]1O 637192183 QLIHZYIOCILWDY-VLEAKVRGSA-N 240.303 0.543 30 20 BCED C=CCC[C@H](O)Cn1cc(COCCO)nn1 641212337 JYFRALXGCIJZRX-NSHDSACASA-N 241.291 0.114 30 20 BCED C=CCN(C(=O)[C@H](N)CCN(C)C)C1CC1 653158903 OXCLIUIFCADXGO-LLVKDONJSA-N 225.336 0.442 30 20 BCED C=CCCn1cc(CN2CC[C@](C)(O)C2)nn1 653565012 WKDNZNNGPQPDBS-LBPRGKRZSA-N 236.319 0.811 30 20 BCED O=C(CCc1ccc(O)cc1)NCC#CCO 655057283 FKHUHDGTRYMRKN-UHFFFAOYSA-N 233.267 0.437 30 20 BCED CC#CCNCc1cn(CC(F)(F)F)nn1 656445212 YVCJCQKGUJGFIP-UHFFFAOYSA-N 232.209 0.953 30 20 BCED C=CCCS(=O)(=O)NCc1cn(CC)nn1 657120437 BMXIMRSAZKXPHM-UHFFFAOYSA-N 244.320 0.294 30 20 BCED C=CC[C@H](CO)CNC(=O)C[C@@H](O)CCC 678800692 LEHKSAKDZYSGTR-QWRGUYRKSA-N 229.320 0.838 30 20 BCED CCC#C[C@@H](C)N1CCC[C@@H](S(N)(=O)=O)C1 680378144 SWSJQAGNDCDKBT-GHMZBOCLSA-N 244.360 0.541 30 20 BCED C=CCCC(=O)N1CCN(CCO)C(C)(C)C1 682005856 BJNJEQXLFNXLKF-UHFFFAOYSA-N 240.347 0.868 30 20 BCED C#CCOCCN(C)C/C=C(\C)C(=O)O 688047274 HIBKXHKLFDVDNT-BJMVGYQFSA-N 211.261 0.599 30 20 BCED C#CCN(C(=O)[C@@H]1CC[C@@H]1C(=O)O)C(C)C 688825304 SFRCECTWUFYDBV-ZJUUUORDSA-N 223.272 0.967 30 20 BCED CNC[C@@H](C)C(=O)N1CCC[C@@H](C#N)C1 693956100 OZPHGRZQKBQDOM-ZJUUUORDSA-N 209.293 0.604 30 20 BCED C=C[C@@H](NCC[C@H](COC)OC)C(=O)O 694254924 JYUBPPLGMVFMCL-RKDXNWHRSA-N 217.265 0.267 30 20 BCED CC(=O)c1c[nH]c(C(=O)N2CCO[C@H](C#N)C2)c1 701315198 JVIJPWDZPWUXJD-SNVBAGLBSA-N 247.254 0.582 30 20 BCED N#C[C@H]1CCCN(C(=O)Cc2ccc(N)cn2)C1 703307300 HRNSWBWFOHXKKO-SNVBAGLBSA-N 244.298 0.968 30 20 BCED C#CCNCC(=O)N1CCc2ccsc2C1 712254154 GGPBPYKWCSIOIR-UHFFFAOYSA-N 234.324 0.856 30 20 BCED N#Cc1ccc(CC(=O)NC[C@H]2C[C@H](N)C2)cc1 715114115 QPVHHBSUUQMNAO-JOCQHMNTSA-N 243.310 0.954 30 20 BCED C[C@@H](CC(C)(C)C#N)NC[C@@H](O)CN(C)C 717383881 KFVKPWIWUXIYAP-WDEREUQCSA-N 227.352 0.827 30 20 BCED CN(C)CC#CCNc1nc[nH]c2nccc1-2 717595314 OIONINOGFOIWHQ-UHFFFAOYSA-N 229.287 0.886 30 20 BCED CN(C)CC#CCNC(=O)c1ccccc1O 717680523 ZOAUDSSDWIYNHU-UHFFFAOYSA-N 232.283 0.687 30 20 BCED C#CC[C@H](CO)NC(=O)c1ccc(OC)nc1 717718497 CSUDNNAAVILMLH-SNVBAGLBSA-N 234.255 0.204 30 20 BCED C#CC[C@@H](CO)Nc1ncc(C(=O)O)c(C)n1 717740829 WZAUPAZMTBOYGE-QMMMGPOBSA-N 235.243 0.279 30 20 BCED CS(=O)(=O)NN=Cc1ccc(O)cc1 722666436 UYHKFIVOOMRCIM-UHFFFAOYSA-N 214.246 0.275 30 20 BCED C#Cc1ccc(C(=O)NCC(=O)NCCC)cn1 728858461 QJSYCGHIJJYYOF-UHFFFAOYSA-N 245.282 0.319 30 20 BCED CNC(=O)[C@H](C#N)C(=O)c1cn2ccccc2n1 729068821 AMLBXHRDECJNPM-MRVPVSSYSA-N 242.238 0.403 30 20 BCED CC(C)CO[C@H](C)C(=O)OCC(=O)NCC#N 731242017 LGPGMQRRLRDTQO-SECBINFHSA-N 242.275 0.230 30 20 BCED C=C1CCN([C@@H](C)C(=O)NCC(=O)O)CC1 736098322 TYZKVXNXAKQSHT-VIFPVBQESA-N 226.276 0.228 30 20 BCED C[C@@H](CC#N)NC(=O)CCCNC(=O)O 736540766 LFIWTESGHVLVGA-ZETCQYMHSA-N 213.237 0.453 30 20 BCED C=CCOCC(=O)NC(C)(C)CC(=O)OC 741192556 AYUMYWATGRVLPE-UHFFFAOYSA-N 229.276 0.647 30 20 BCED C=CCNC(=O)[C@H](C)OC(=O)C1(O)CCCC1 744738240 ZPUXJMTUTDRZFD-VIFPVBQESA-N 241.287 0.525 30 20 BCED O=C(NO)c1ccc(-n2ccnc2)cc1 746263572 HUUAKBHBMPUWAX-UHFFFAOYSA-N 203.201 0.991 30 20 BCED COCCON=Cc1cnc2cnccn12 748790914 CCWIKJLBRIVBRW-UHFFFAOYSA-N 220.232 0.726 30 20 BCED C[C@H](C#N)OC(=O)c1ccc2nncn2c1 749410026 XAVWDDFPORKJBU-SSDOTTSWSA-N 216.200 0.798 30 20 BCED N#CCNC(=O)COC(=O)c1ccc(C#N)s1 750399584 FWPMAFAJHCCLFT-UHFFFAOYSA-N 249.251 0.416 30 20 BCED C[C@@H](C#N)OC(=O)[C@@H](C)c1cnn(C)c1 750551702 LJCIIYLBWZUUFB-YUMQZZPRSA-N 207.233 0.979 30 20 BCED C#CC(=O)N1CCC[C@H](CNC(=O)CCC)C1 754000569 WXXZEQWQPLBGSR-LLVKDONJSA-N 236.315 0.775 30 20 BCED C#CC(=O)N[C@@H](C[S@](C)=O)c1ccccc1 754058572 KLHJFWCFWZEOCY-ZBEGNZNMSA-N 235.308 0.856 30 20 BCED C#CCNC(=S)N[C@@H](C)c1cn(C)nc1C 758214980 PSSAQRKEEIYKQX-QMMMGPOBSA-N 236.344 0.887 30 20 BCED CO[C@H]1CCCN(Cn2cccc(C#N)c2=O)C1 758220729 SBJWYTFQZIZTIG-LBPRGKRZSA-N 247.298 0.788 30 20 BCED C=CCCOCC(=O)N[C@](C)(CO)C1CC1 759558806 XOUREKORHFQSGM-GFCCVEGCSA-N 227.304 0.856 30 20 BCED C#CCCN1CCC[C@H]1CS(=O)(=O)NC 760858778 AKBJJDFVCFREKH-JTQLQIEISA-N 230.333 0.023 30 20 BCED C#CCCc1noc(-c2ccc[n+]([O-])c2)n1 762000367 CQZKNNXEKDQVMA-UHFFFAOYSA-N 215.212 0.936 30 20 BCED CC(C)[C@@H](C#N)NC(=O)[C@@H](O)c1cccnc1 765018580 VRQCRCPXFURSAZ-MNOVXSKESA-N 233.271 0.779 30 20 BCED CC#CCOC(=O)c1cccn2c(O)nnc12 766286192 GIZVWKHLWHYGIK-UHFFFAOYSA-N 231.211 0.615 30 20 BCED C#CCNC(=S)N[C@@H]1CCO[C@H](C)C1 769556175 JBOGCBLCSWLWBE-RKDXNWHRSA-N 212.318 0.651 30 20 BCED C#C[C@@H](Nc1nccn2cnnc12)[C@@H]1CCCO1 772253809 DXYFRKQLFGOSJE-ZJUUUORDSA-N 243.270 0.717 30 20 BCED C#CCOCCC(=O)NC[C@@H]1CCC=CO1 781496459 NYYDDWJYKPULCZ-NSHDSACASA-N 223.272 0.835 30 20 BCED CC#CCOC(=O)CCn1c(C)cc(O)cc1=O 782288011 LXUCBHRGVQUJLX-UHFFFAOYSA-N 249.266 0.819 30 20 BCED C#Cc1ccc(C(=O)NCC(=O)C2CC2)cn1 783594714 IIUVFUAVSFNSJN-UHFFFAOYSA-N 228.251 0.772 30 20 BCED C#CCOCCNC(=O)Nc1cnn(CC)c1 783736001 SQHVEAKISFMBDX-UHFFFAOYSA-N 236.275 0.674 30 20 BCED COCC#CCOC(=O)[C@H]1CO[C@H](C)C1 784279988 XXIFBKZSDJXFHL-NXEZZACHSA-N 212.245 0.604 30 20 BCED C#C[C@H](NCc1ncnn1CC)[C@@H]1CCCO1 785815826 SIDUREFPPASRQS-QWRGUYRKSA-N 234.303 0.568 30 20 BCED C(=NNCCc1ccccn1)c1cc[nH]n1 789102692 FDGLVZNPJCJKSC-UHFFFAOYSA-N 215.260 0.971 30 20 BCED C=C(CO)C(=O)NC[C@@](C)(O)c1ccccc1 791365569 ALBJVWGDDLKWME-CYBMUJFWSA-N 235.283 0.559 30 20 BCED C[C@@H](CO)NN=Cc1ncc(Cl)n1C 799482739 WFMVKGKPEREKJS-LURJTMIESA-N 216.672 0.378 30 20 BCED C#C[C@H](C)NC(=O)COCc1nnc(C)s1 803121920 VQKKVRLXSBWOQG-ZETCQYMHSA-N 239.300 0.501 30 20 BCED CC(C)(C#N)CC(=O)N1C[C@@H]2C[C@]2(CO)C1 807330153 MUXNDDDNSJOOOK-JOYOIKCWSA-N 222.288 0.767 30 20 BCED OCCNN=C1COCc2ccccc21 814942165 LZJAOAIBKMQEHB-UHFFFAOYSA-N 206.245 0.503 30 20 BCED OCCNN=Cc1ccn(-c2ccccc2)n1 814942889 XYTQARQNKWSWKB-UHFFFAOYSA-N 230.271 0.788 30 20 BCED C[C@@H](O)CNN=C(CO)c1ccc(F)cc1F 814961520 LNBHCWQVFIMGIG-SSDOTTSWSA-N 244.241 0.632 30 20 BCED CO[C@@H]1CCCCC1=NNC[C@@H](C)O 814964241 XYVWUONZPPQZSN-PSASIEDQSA-N 200.282 0.902 30 20 BCED CC#CCN(C)CC(=O)N1CCO[C@@H](C)C1 815280440 AJGZPHJSTCLJSW-NSHDSACASA-N 224.304 0.189 30 20 BCED C#CCn1cc(CNC(=O)C2(C)CC2)cn1 816370966 PMULUVRFDGKSLI-UHFFFAOYSA-N 217.272 0.933 30 20 BCED C=C(CO)C(=O)NC[C@]1(O)CCC[C@H]1C 818993851 UXSYWBZAWJFPLB-MWLCHTKSSA-N 213.277 0.202 30 20 BCED COC(=O)[C@@H]1CCCN1C(=O)C#CC(C)C 821016113 GDFCGAXAWSPCBU-JTQLQIEISA-N 223.272 0.810 30 20 BCED N#Cc1cccc(NC(=O)Nn2cnnc2)c1 821512796 GWRNJILGPOHKJD-UHFFFAOYSA-N 228.215 0.925 30 20 BCED C#Cc1cccc(CNC(=O)C(OC)OC)c1 823446750 QANSSBIOOAJIQY-UHFFFAOYSA-N 233.267 0.903 30 20 BCED C[C@H](C#N)CN(C)C(=O)NC1CN(C(=O)O)C1 823648886 YYTXUWYVOJSNST-SSDOTTSWSA-N 240.263 0.150 30 20 BCED C#CC(=O)Nc1cc(-c2nn[nH]n2)ccc1C 823838847 VUOCINQPZWMXNN-UHFFFAOYSA-N 227.227 0.747 30 20 BCED CC(C)CN(CCC#N)C(=O)C[C@@H]1CC(=O)N1 824234813 SOZZNGXANYOBFW-JTQLQIEISA-N 237.303 0.663 30 20 BCED C#CC(C)(C)NC(=O)c1cnnc(O)c1 827634636 WYSWLXLGTKCSCH-UHFFFAOYSA-N 205.217 0.324 30 20 BCED C#C[C@@H](NCc1cccnc1N)[C@@H]1CCCO1 828953128 FDRZOUVAZRVFED-NEPJUHHUSA-N 231.299 0.934 30 20 BCED CCC(=O)CCN1CC[C@@](O)(CC#N)C1 829998851 SFWFBEBAKYHNHU-NSHDSACASA-N 210.277 0.706 30 20 BCED C=CCn1cc(C(=O)OC[C@H](C)OC)nn1 830120175 LURRWWXAIVQWBE-QMMMGPOBSA-N 225.248 0.656 30 20 BCED CC[C@H](C#N)C(=O)NCC1CC2(C1)OCCO2 832173584 XXEHENFHPGGEFR-SNVBAGLBSA-N 238.287 0.805 30 20 BCED CC#CCNC(=O)[C@H](CC(C)C)NC(=O)O 833380865 QSMPUNZVQQGHAE-VIFPVBQESA-N 226.276 0.808 30 20 BCED Cc1ncccc1C(=O)N[C@H]1CNC[C@H]1C#N 834484266 GMPSYEZJJXRLQS-KOLCDFICSA-N 230.271 0.231 30 20 BCED CCC[C@H](NC(=O)C#CC(C)(C)C)C(N)=O 837644277 YDHAXZWDSMSSGT-VIFPVBQESA-N 224.304 0.806 30 20 BCED C#CCO[C@@H](C)C(=O)OCCC[C@H](C)O 837845235 WRYPHMVQKVREBZ-UWVGGRQHSA-N 214.261 0.729 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)C#CC1CC1 838368246 HHOURPDFKWKGOE-VIFPVBQESA-N 219.240 0.081 30 20 BCED C[C@@H](CC#N)NC(=O)Nc1cnsn1 839123131 UGFLJAZNDIOITO-YFKPBYRVSA-N 211.250 0.962 30 20 BCED C=C(C)CNC(=S)NC[C@]1(C)CCC(=O)N1 840836950 LEIUGRVTASTCJS-NSHDSACASA-N 241.360 0.695 30 20 BCED C=CCONC(=O)N[C@@H](CN)C1CCCC1 841914056 YBSWSHKRTQNPDF-JTQLQIEISA-N 227.308 0.921 30 20 BCED C[C@@H]1CC(=NNc2ccc(C(N)=O)nn2)CO1 842527366 JMDOQGSXJLHVNH-ZCFIWIBFSA-N 235.247 0.152 30 20 BCED Cn1ncnc1C=NO[C@@H]1CCCCO1 842530321 JWYVAZFOKXQYBV-SECBINFHSA-N 210.237 0.692 30 20 BCED C#CCNC(=S)N[C@@H]1CCS[C@H]1C 843290859 QCMFCDJMNMFQEU-JGVFFNPUSA-N 214.359 0.978 30 20 BCED N#C[C@@]1(NC(=O)[C@@H]2CCC(=O)C2)CCSC1 843781728 JGCFQKGWRPHUCG-KCJUWKMLSA-N 238.312 0.871 30 20 BCED C=C(C)CONC(=O)N[C@H](C)c1nc[nH]n1 845605498 MEYSHPHVDURVBM-SSDOTTSWSA-N 225.252 0.673 30 20 BCED C=C(C)CONC(=O)N(C)CCOCCOC 845609285 UJGFCMXYWAPFEX-UHFFFAOYSA-N 246.307 0.799 30 20 BCED C=C[C@H](C)ONC(=O)N1CCOC[C@H]1CCO 845622544 CNRUZKZLQDGHDU-VHSXEESVSA-N 244.291 0.285 30 20 BCED C=C[C@H](C)ONC(=O)N[C@@H](C)[C@@H](CO)SC 845631624 RNFRAQSNGAHOTG-XHNCKOQMSA-N 248.348 0.904 30 20 BCED C=C(C)CONC(=O)[C@@H]1CCN(C)C(=O)C1 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217.228 0.472 30 20 BCED CN1CC[C@@H](C(=O)N(CCC#N)CCC#N)C1=O 589833457 KBGLXCBYDUJQQW-SNVBAGLBSA-N 248.286 0.121 30 20 BCED N#Cc1cc(N2CCO[C@@H]3C[C@@H]32)ncn1 589871919 WAZGKTWBCJGYIM-DTWKUNHWSA-N 202.217 0.326 30 20 BCED N#CC1CN(S(=O)(=O)CC2CCOCC2)C1 590088907 IPOATRKHTNXGLX-UHFFFAOYSA-N 244.316 0.198 30 20 BCED CCCN1C[C@H](C(=O)NC2(C#N)CC2)CC1=O 591185609 XUZFKVIBUBSGPM-SECBINFHSA-N 235.287 0.417 30 20 BCED C[C@H](CCO)N(C)C(=O)c1ccc(C#N)n1C 593881975 ZIXZFVGNSUVOTC-SECBINFHSA-N 235.287 0.740 30 20 BCED Cc1nc(C(=O)N(C)[C@H](C)CN)ccc1C#N 593903085 NUSDEJJCIQZSGW-MRVPVSSYSA-N 232.287 0.681 30 20 BCED COC[C@@H]1CCCN1c1ccnc(C#N)n1 594555538 GMEGJCWRMVTWED-VIFPVBQESA-N 218.260 0.963 30 20 BCED CO[C@@H](C)CNC(=O)N1CC[C@@](F)(C#N)C1 595757972 DOSSGAGIYNVGGA-WCBMZHEXSA-N 229.255 0.668 30 20 BCED CCOC(=O)CC1(NCC#N)CCOCC1 595874355 ROUWAOVJIXODRU-UHFFFAOYSA-N 226.276 0.602 30 20 BCED C[C@@H](C#N)CN(C)C(=O)C[C@H]1CCC(=O)N1C 596895154 SKCIPBCWYDJACX-VHSXEESVSA-N 237.303 0.615 30 20 BCED CC(C)(C)[C@H](C#N)NC(=O)C[C@H]1CC(=O)N1 597350405 IUXBXTROXVLVJI-SFYZADRCSA-N 223.276 0.319 30 20 BCED CC(C)(C#N)CNC[C@H](O)CN1CCCC1 600738415 ZYFZODKWSPPATO-NSHDSACASA-N 225.336 0.582 30 20 BCED CO[C@H](C(=O)Nc1n[nH]cc1C#N)C(C)C 601638036 DNHCIRDYVDVTOV-QMMMGPOBSA-N 222.248 0.891 30 20 BCED CCC(=O)N1CC[C@H](C(=O)N(C)[C@H](C)C#N)C1 602424461 PXSIJVAZYZBVJX-ZJUUUORDSA-N 237.303 0.615 30 20 BCED N#Cc1cccc(CN2CC[C@H](CO)C2)n1 602456071 ZPRGQMOLTVMVAB-JTQLQIEISA-N 217.272 0.767 30 20 BCED Cc1nccnc1CN1CCN(CCC#N)CC1 602747588 CKQMLQMTCHQGJH-UHFFFAOYSA-N 245.330 0.816 30 20 BCED C=CCCOCC(=O)NC[C@@H](C)C(=O)OC 608788263 YWDZFNBQRRMILW-SECBINFHSA-N 229.276 0.504 30 20 BCED CNC(=O)C1(C(=O)N[C@H](C)CC#N)CCC1 609264654 WFZVYQOQGCMJAT-MRVPVSSYSA-N 223.276 0.321 30 20 BCED C[C@@]1(C#N)CCCN(CCN2CCOCC2)C1 612166619 DENSESQALNJKGJ-ZDUSSCGKSA-N 237.347 0.944 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@H](O)C(CC)CC 612424117 OPJSTESYZFFRJF-CMPLNLGQSA-N 229.320 0.837 30 20 BCED C=C[C@](C)(O)C(=O)N1CCC[C@H]1C[C@@H](C)O 612870997 JELBTDIAYBUZJX-SCVCMEIPSA-N 227.304 0.685 30 20 BCED CCC(=O)N[C@H](C)C(=O)N[C@H](CC)CC#N 613038626 AUSBXNSQQDINTP-RKDXNWHRSA-N 225.292 0.710 30 20 BCED C=C[C@H](O)C(=O)N1C[C@@H](C)N(C)C[C@H]1C 613191934 UKSGGZXYFRUDDK-BBBLOLIVSA-N 212.293 0.084 30 20 BCED C=CC[C@H](CO)CNC(=O)CCc1ccon1 613253592 RNXBKSZGPCNXCY-JTQLQIEISA-N 238.287 0.908 30 20 BCED C=C[C@@H](O)C(=O)NC[C@H](O)CCc1ccccc1 613468743 VXNCFOWDRYQZHO-CHWSQXEVSA-N 249.310 0.643 30 20 BCED C=C[C@H](O)C(=O)N(C)[C@H](CO)CC(C)(C)C 615969754 MZMCNDRGLMMECQ-UWVGGRQHSA-N 229.320 0.789 30 20 BCED C=C[C@@H](O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 617342941 ITSYMXDYOZECIG-VHSXEESVSA-N 226.320 0.522 30 20 BCED Cc1cc(NC(=O)CN2CC(C)(C#N)C2)no1 619569385 MPFOXAYQUDRXRB-UHFFFAOYSA-N 234.259 0.767 30 20 BCED C=C[C@@H](NCCN1CCCOCC1)C(=O)OC 619702344 CRXHTTQNVRVOFN-LLVKDONJSA-N 242.319 0.026 30 20 BCED C=CCCC[C@@H](C)N=c1[nH]c(=N)[nH]c(=N)[nH]1 624086102 VQNDDRKCSMDKDX-SSDOTTSWSA-N 222.296 0.275 30 20 BCED C=CCNC(=O)[C@@H](C)n1cc([C@@H](N)CC)nn1 640884076 UUIYSCBUYFSFSR-BDAKNGLRSA-N 237.307 0.551 30 20 BCED C=CCCCn1cc(C[C@@H](N)CO)nn1 640936155 PMKNZLFESPBOMB-SECBINFHSA-N 210.281 0.106 30 20 BCED C=CCC[C@H](O)Cn1cc(CCCN)nn1 641212557 LUASTUDTXLMSIW-NSHDSACASA-N 224.308 0.497 30 20 BCED CC#CC[C@H](CO)Nc1nc(C)cc(OC)n1 645403666 CUKKGOLPMZYGLK-SNVBAGLBSA-N 235.287 0.980 30 20 BCED CC#CC[C@H](CO)NC(=O)Nc1ccccn1 646330470 FSZMVFUBHOSUJI-SNVBAGLBSA-N 233.271 0.977 30 20 BCED C=CCn1cc(C(=O)N2CCC[C@H](O)C2)nn1 648729319 QYAZBTZOBFDRRH-VIFPVBQESA-N 236.275 0.061 30 20 BCED C=CCN(C[C@H]1CNC(=O)C1)[C@@H](C)COC 661239305 FCVDPPKQGQIMIB-WDEREUQCSA-N 226.320 0.645 30 20 BCED C=CCCOCC(=O)N1CCC[C@@H]1CO 677589851 NGRULKJNHLQNPD-SNVBAGLBSA-N 213.277 0.562 30 20 BCED CCCCCN(CC#CCOC)CC(N)=O 679537425 QTVGFIUVVHHKLU-UHFFFAOYSA-N 226.320 0.614 30 20 BCED C=CCCN(C)C(=O)C1(C(N)=O)CCC1 682542336 DNWKRVQMAWWKTJ-UHFFFAOYSA-N 210.277 0.677 30 20 BCED C[C@H](CC#N)NCCCCS(C)(=O)=O 692821940 QFEKSWUQQOVLRH-SECBINFHSA-N 218.322 0.703 30 20 BCED C#CC(=O)NCc1cccc([N+](=O)[O-])c1 692918584 SPYBVHUWPNXGBM-UHFFFAOYSA-N 204.185 0.844 30 20 BCED C#CCCCCC(=O)N[C@@H]1CCN(C(N)=O)C1 692928463 UOAAHVLLGZNBHP-SNVBAGLBSA-N 237.303 0.449 30 20 BCED Cc1noc(CCC(=O)N(C)[C@H](C)C#N)n1 701183857 LVRGHMVGMXSVBO-SSDOTTSWSA-N 222.248 0.681 30 20 BCED COc1cc(C=NNCCO)ccc1O 714536391 PYOLBFPLLKHJKW-UHFFFAOYSA-N 210.233 0.317 30 20 BCED CC#CC[C@H](CO)NC(=O)/C=C\c1cccnc1 717777111 QGFNDAQWWLJPQW-MEJMFZKBSA-N 244.294 0.985 30 20 BCED C#CC[C@@H](CO)NC(=O)[C@H]1CC=CCC1 717784219 QGGQACYLUMYGIH-QWRGUYRKSA-N 207.273 0.843 30 20 BCED C#CC[C@H](CO)NC1CCN(C2CC2)CC1 717839983 CCFNWNUOZDXRHQ-GFCCVEGCSA-N 222.332 0.587 30 20 BCED C#CCC[C@H](O)CNC(=O)CCCOC 717960546 PHQHKGXVURROQH-JTQLQIEISA-N 213.277 0.304 30 20 BCED C#CCC[C@@H](O)CNC(=O)c1nocc1C 720485699 ZYJBEHBPRNRXHT-SECBINFHSA-N 222.244 0.487 30 20 BCED C#Cc1ccc(C(=O)N2CCC[C@H](O)C2)nc1 728861247 HDDMFRYWGHAVNO-NSHDSACASA-N 230.267 0.660 30 20 BCED C[C@H]1CCCC1=NN[C@H]1CCS(=O)(=O)C1 729146180 PIJLZMYKJWXCTJ-IUCAKERBSA-N 230.333 0.939 30 20 BCED Cc1cccc(CC(=O)OCC(=O)NCC#N)c1 731243601 VVLYBFJSKYLADV-UHFFFAOYSA-N 246.266 0.721 30 20 BCED C[C@@H](C#N)CNC(=O)c1ccc(C(=O)O)cn1 736202000 LOHJHYNDRXGTGY-ZETCQYMHSA-N 233.227 0.669 30 20 BCED C#CCCN1CCN(C(=O)c2nonc2C)CC1 736673014 STPBYCRTTSHVDL-UHFFFAOYSA-N 248.286 0.159 30 20 BCED CN(CCC#N)C(=O)CCCNC(=O)O 737412754 XUCBRZOBTWMWAK-UHFFFAOYSA-N 213.237 0.406 30 20 BCED CC(=NNS(=O)(=O)C(C)C)[C@@H]1CCOC1 741762220 UFSRHLXXHOUSFU-SECBINFHSA-N 234.321 0.727 30 20 BCED C[C@@H]1CN(CC(=O)NCCC#N)C[C@@H](C)S1 743857000 RAHAFYOXLSQLEL-NXEZZACHSA-N 241.360 0.842 30 20 BCED C#CCNS(=O)(=O)c1ccccc1C=O 750976525 ABBDYDREONXVFP-UHFFFAOYSA-N 223.253 0.411 30 20 BCED C#CCCCN[C@@H](CC(N)=O)C1CCOCC1 754504204 WPBCSXZKKSPGPJ-LBPRGKRZSA-N 238.331 0.660 30 20 BCED C#CCNC(=S)N1CCc2c[nH]nc2C1 758253738 YNIFDRUWNGYVEP-UHFFFAOYSA-N 220.301 0.276 30 20 BCED C=CCn1nnnc1SCC(=O)CCOC 761863356 GJRQZWRTJRHTTC-UHFFFAOYSA-N 242.304 0.557 30 20 BCED C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@]12CCOC2 764760627 MSVLLQFYABQWGT-NRUUGDAUSA-N 248.282 0.424 30 20 BCED C=CCCOCC(=O)NCc1ncccn1 770052101 ASKTXHWSGWYALG-UHFFFAOYSA-N 221.260 0.686 30 20 BCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](OC)C(C)C 770633125 LBBIVWYYBGGQGZ-ZJUUUORDSA-N 243.303 0.891 30 20 BCED CC(=NOCC(N)=O)c1ccc(O)cc1 771574801 LWJLSFXLVICUHB-UHFFFAOYSA-N 208.217 0.618 30 20 BCED CO[C@H](C)CC(=O)N1CCSC[C@@H]1C#N 775495528 HWYGMKLNBREHPU-BDAKNGLRSA-N 228.317 0.879 30 20 BCED CN1CC[C@H](C(=O)OCC2(C#N)CC2)CC1=O 775840963 OPWUKTRGXKMMMZ-VIFPVBQESA-N 236.271 0.702 30 20 BCED C=C(Cl)CNC(=O)Cc1cncn1C 776658879 YOVNYAKRZZBTLJ-UHFFFAOYSA-N 213.668 0.831 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)C1[C@@H]2CCC[C@@H]12 776703431 RIJPZYBIJLYRPN-IVZWLZJFSA-N 235.283 0.714 30 20 BCED O=C1CN(N=Cc2ccc(F)nc2)C(=O)N1 777429831 KVYWGSFKVMXDHC-UHFFFAOYSA-N 222.179 0.106 30 20 BCED CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NO 782170325 YRDNVTZJVYEJQJ-IPWDFOCMSA-N 244.316 0.750 30 20 BCED COC[C@@H](C#N)OC(=O)c1ccc(F)nc1 785634912 PZDIJSXZIWHKMO-MRVPVSSYSA-N 224.191 0.916 30 20 BCED C=CCNC(=O)COC(=O)c1ccc(C#N)[nH]1 786082378 UYOVGMWDZUPBLZ-UHFFFAOYSA-N 233.227 0.345 30 20 BCED O=c1nc(C=NO)ccn1CCOCC(F)F 786742108 SMVHDTYUZIQMDC-UHFFFAOYSA-N 247.201 0.333 30 20 BCED C=CCOCC(=O)O[C@H](C)c1nnnn1C 787695689 GLUIXXDWLCIBLF-SSDOTTSWSA-N 226.236 0.017 30 20 BCED CCOCCC=NNS(=O)(=O)C(C)C 788424113 AQIYTOCKLNCLOG-UHFFFAOYSA-N 222.310 0.727 30 20 BCED C#CCN(C)C(=O)c1ccn(C(F)F)n1 790966685 RJJICUDEFZFHBP-UHFFFAOYSA-N 213.187 0.983 30 20 BCED C#CCCS(=O)(=O)NC(=O)CSCCC 791110435 DIQPOOLFDSZGTB-UHFFFAOYSA-N 249.357 0.599 30 20 BCED C#CCCS(=O)(=O)NC[C@H](O)[C@@H](C)CC 791421869 UEEXOEKKNMLFSI-UWVGGRQHSA-N 233.333 0.336 30 20 BCED O=c1nc(C=NO)ccn1C[C@@H]1CCCO1 794522402 SXPVZYUTPICAKT-VIFPVBQESA-N 223.232 0.230 30 20 BCED CC[C@H](C)[C@H](OC)C(=O)[C@H](C#N)C(=O)NC 796644631 XOJIZHVGHFXYIE-NRPADANISA-N 226.276 0.502 30 20 BCED C#C[C@@H](CC)OC(=O)CCNC(=O)NC 797091926 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YAURPMSEABQYEN-UHFFFAOYSA-N 238.291 0.197 30 20 BCED C=C(CC)CN1CCO[C@@H](CNC(C)=O)C1 358516221 YWTRQJUPUUAKFG-LBPRGKRZSA-N 226.320 0.790 30 20 BCED CC(C)(C#N)CNC(=O)NC[C@H]1CC[C@@H](O)C1 358612544 ANGBVSNOLZCICU-VHSXEESVSA-N 239.319 0.996 30 20 BCED COC[C@H](C)[C@@H](C)C(=O)N[C@](C)(C#N)COC 361958112 DLOFJTJIXTWWDC-HOSYDEDBSA-N 242.319 0.950 30 20 BCED C#CCCS(=O)(=O)N1CCC2(CCO2)CC1 367283139 SESDIIFDNXWHEL-UHFFFAOYSA-N 243.328 0.594 30 20 BCED CC[C@](C)(C#N)C(=O)NOCCN(C)C 379034663 YTONBQINEODIDJ-SNVBAGLBSA-N 213.281 0.536 30 20 BCED N#C[C@@]1(F)CCN(Cc2nccc(N)n2)C1 381362730 DJBDXVDCRDQBBM-JTQLQIEISA-N 221.239 0.496 30 20 BCED COC[C@@H](C#N)OC(=O)c1c(C)noc1N 381537724 HHUGYXONDWALBY-ZCFIWIBFSA-N 225.204 0.261 30 20 BCED C#C[C@@](C)(CC)NCCS(=O)(=O)N(C)C 395268975 PPJMIVZPWKUITD-JTQLQIEISA-N 232.349 0.269 30 20 BCED C=CCNC(=O)[C@H](C)N1C[C@@H](CO)C[C@@H](C)C1 398868429 XZFJSJFBVCMIHI-WOPDTQHZSA-N 240.347 0.627 30 20 BCED N#CCC1(CNC(=O)CCCCN)CC1 404180140 ZQQDYIYECJSXAT-UHFFFAOYSA-N 209.293 0.925 30 20 BCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCCO1 407956398 KFLDUGGTJHAKHO-VIFPVBQESA-N 247.320 0.350 30 20 BCED CC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 407961084 AKKBWIPNJPFQJF-SECBINFHSA-N 231.259 0.381 30 20 BCED CCO[C@H]1C[C@H]1C(=O)NC1(C#N)CCC1 408013659 VQGLWGKXISBMJI-BDAKNGLRSA-N 208.261 0.974 30 20 BCED N#CC1CCN(C(=O)[C@@]2(O)CCSC2)CC1 408043832 RCSLKMLSGCFHBK-LLVKDONJSA-N 240.328 0.617 30 20 BCED C[C@@H](CC#N)NC(=O)C1(S(C)(=O)=O)CCC1 408104409 PVGXMNYOILEKAW-QMMMGPOBSA-N 244.316 0.372 30 20 BCED CCCN1C[C@@H](C(=O)NCCC#N)CC1=O 412292167 UEKLNVBWWUHKCL-VIFPVBQESA-N 223.276 0.275 30 20 BCED CCC(O)(CC)CCNS(=O)(=O)[C@H](C)C#N 416471251 PBSIVUBFQKOZEU-SECBINFHSA-N 248.348 0.759 30 20 BCED C=CCCOCCNC(=O)N[C@H](CN)C1CC1 417921949 BSRKHOHARCGRTR-LLVKDONJSA-N 241.335 0.616 30 20 BCED COCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 424060764 HVWHQBMVIUSLNH-DTWKUNHWSA-N 211.265 0.624 30 20 BCED CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)CCCC#N 424140397 ODPSOMLIPUZOIK-DCAQKATOSA-N 241.335 0.531 30 20 BCED N#CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] 427605673 BXBHFKTZLVBYAG-UHFFFAOYSA-N 234.215 0.820 30 20 BCED N#C[C@@H]1CCC[C@H]1NC(=O)CC(=O)NCC1CC1 427628266 GTIXWOFGOKJXPB-WDEREUQCSA-N 249.314 0.711 30 20 BCED N#C[C@H]1CC[C@@H](NCCNC(=O)c2cc[nH]n2)C1 442838231 SCCWELAXILPZCV-VHSXEESVSA-N 247.302 0.421 30 20 BCED C=C(C)CNS(=O)(=O)C1(COC)CC1 451411326 DWTGGZCQTGJHGX-UHFFFAOYSA-N 219.306 0.661 30 20 BCED C=CCNC(=O)CN[C@@H]1C[C@@H](OC)C1(C)C 451483560 AYEUNBZLWVPAID-NXEZZACHSA-N 226.320 0.692 30 20 BCED C=CCCS(=O)(=O)N[C@H](CC)[C@@H](C)O 451883313 BEVDPOZNWPEMMX-RKDXNWHRSA-N 221.322 0.641 30 20 BCED C#CCN(CC)C(=O)c1cc(C(N)=O)c[nH]1 490761958 YIYKUVQKCIHISK-UHFFFAOYSA-N 219.244 0.209 30 20 BCED C#C[C@@H](NC(=O)NCc1ncnn1CC)C(C)C 490962743 PSXWAXFQLPHRFM-SNVBAGLBSA-N 249.318 0.755 30 20 BCED C#CCN(CC#CC)CC(=O)NC1(C#N)CCC1 491220440 NMSJUSZRRUOCNK-UHFFFAOYSA-N 243.310 0.507 30 20 BCED C#C[C@@H](CC)NS(=O)(=O)Cc1cc(C)no1 491251511 ADQHHINIMSXBEV-VIFPVBQESA-N 242.300 0.814 30 20 BCED C#CCN1CCCc2c(OCC(N)=O)cccc21 491255863 YKQMBYOZZXAGHT-UHFFFAOYSA-N 244.294 0.937 30 20 BCED C#CCN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 491496416 QHMJYEYTKCNTBA-GHMZBOCLSA-N 223.320 0.744 30 20 BCED C#CCN(C)CCCNC(=O)[C@H]1CCCN1C 491508166 YPOUPNFIROJWTB-GFCCVEGCSA-N 237.347 0.152 30 20 BCED C#C[C@@H](C)N(C)CN1CCN(CC=C)C1=O 491554915 NICZIEMSHIKVLY-LLVKDONJSA-N 221.304 0.821 30 20 BCED C#CCN(CC)S(=O)(=O)C[C@@H](C)OC 491651146 DRMSLPCTXLAOER-SECBINFHSA-N 219.306 0.306 30 20 BCED C#C[C@@H](NC(=O)C(=O)Nc1cnn(C)c1)C(C)C 491696439 OOGORWOSMNTKCH-SNVBAGLBSA-N 248.286 0.133 30 20 BCED C#CCN(C)CCCNC(=O)Cc1ccn(C)n1 491805833 PIUYTOSYGXEGPM-UHFFFAOYSA-N 248.330 0.034 30 20 BCED CC(C)(C)OC(=O)N1CC(C(=O)OCC#N)C1 495264355 KBFUEHFGKAFFIL-UHFFFAOYSA-N 240.259 0.920 30 20 BCED CNC(=O)[C@H](C)CN(C)c1ccc(C#N)c(N)n1 521068291 SQBGRKHJIJFBNW-MRVPVSSYSA-N 247.302 0.354 30 20 BCED CCC[C@@H](C#N)NC(=O)CCS(C)(=O)=O 534802088 RQEGEPNHSJKSFS-QMMMGPOBSA-N 232.305 0.230 30 20 BCED C=CCn1c(CC)nnc1N1CCN(C)C(=O)C1 548850788 DRVASMBMDMOJIC-UHFFFAOYSA-N 249.318 0.305 30 20 BCED CN(CC(C)(C)O)C(=O)NCC1(C#N)CC1 559343604 JNSHCVCTFYQKSC-UHFFFAOYSA-N 225.292 0.702 30 20 BCED C[C@H](C#N)CN(C)c1cc(=O)n(C)cn1 570226299 WJFKXQCEISISPA-MRVPVSSYSA-N 206.249 0.376 30 20 BCED C[C@H]1NCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 571880081 LPQZAOSDTHJDQM-YTWAJWBKSA-N 221.304 0.793 30 20 BCED CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCS1(=O)=O 574336022 CGVSZWQHBCSONM-IUCAKERBSA-N 244.316 0.228 30 20 BCED N#Cc1ccncc1N1CC[C@@H](CO)[C@@H](O)C1 580505525 XYXDFPOYFASVRZ-JQWIXIFHSA-N 233.271 0.133 30 20 BCED C[C@H](CCO)CNC(=O)NCC1(C#N)CC1 581168561 USIMRSUYGBZCBZ-SECBINFHSA-N 225.292 0.608 30 20 BCED N#Cc1cccc(C(=O)NCc2ncc[nH]2)n1 589410290 MHNZTELFYOWBQF-UHFFFAOYSA-N 227.227 0.606 30 20 BCED CCN(CC1CC1)S(=O)(=O)N1CC(C#N)C1 590089748 ULIBRQQRYIWBJG-UHFFFAOYSA-N 243.332 0.418 30 20 BCED CC#CC[C@H](CO)N=c1cc(C)[nH]cc1C#N 591998426 DRQSUQGEXFPZQL-GFCCVEGCSA-N 229.283 0.870 30 20 BCED N#Cc1cncc(N2CC[C@@H]3CCN[C@@H]3C2)n1 592466620 SUGLUEBGWWMHJO-GXSJLCMTSA-N 229.287 0.536 30 20 BCED CCO[C@@H](C)C(=O)N1CC[C@@](O)(CC#N)C1 592840615 VALWAASFANXHKH-ONGXEEELSA-N 226.276 0.288 30 20 BCED C[C@@H](CCO)N(C)C(=O)c1cc(C#N)c[nH]1 593248637 MFQOPPAHXFIYDL-QMMMGPOBSA-N 221.260 0.729 30 20 BCED C[C@@H](COCC1CC1)Nc1ccc(C#N)nn1 593508771 RZCZOTIRUVLKAS-VIFPVBQESA-N 232.287 1.575 30 20 BCED N#Cc1ccc(CN2CC(N3CC[C@@H](O)C3)C2)o1 593679250 CLHIGXLHZRVSHC-LLVKDONJSA-N 247.298 0.402 30 20 BCED COCCS(=O)(=O)N(C1CC1)[C@@H](C)C#N 594728695 WUBVIFKNZQSWHM-QMMMGPOBSA-N 232.305 0.339 30 20 BCED Cn1cnc(=O)n1CCc1ccc(C#N)cc1 594895520 UIIWHOLRGYVSBK-UHFFFAOYSA-N 228.255 0.696 30 20 BCED CC[C@H](CC#N)Nc1cc(C#N)cnn1 596194295 BQLNWKDXCLBNTM-SECBINFHSA-N 201.233 1.452 30 20 BCED CC(C)(C#N)C[C@H](O)CNCC(C)(C)CO 598728285 ANKNPVHLKZHULY-JTQLQIEISA-N 228.336 0.895 30 20 BCED C=CCNC(=O)c1cc(C(=O)OC)nn1C 600890412 FXFSFXCQMBTJOK-UHFFFAOYSA-N 223.232 0.123 30 20 BCED C[C@H]1OCC[C@@H]1C(=O)Nc1c[nH]nc1C#N 602359278 PIYWIPIHLHSAQC-RQJHMYQMSA-N 220.232 0.645 30 20 BCED COCCN(CC#N)C[C@]1(OC)CCOC1 602686461 DSRPZSSZMHIXOW-LLVKDONJSA-N 228.292 0.264 30 20 BCED C[C@H](CC#N)NCC(=O)NC[C@H]1CCCO1 602861658 GYSZZQXXCQQITG-NXEZZACHSA-N 225.292 0.173 30 20 BCED C=C[C@H](C(=O)OC)n1cc([C@H](C)NC)nn1 603238389 WROUXNYKVVEPAU-IONNQARKSA-N 224.264 0.459 30 20 BCED C=CCCOCC(=O)N1CCO[C@@H](COC)C1 607677934 FGXRLXSVCSCZIJ-LLVKDONJSA-N 243.303 0.453 30 20 BCED N#CCN1CCC(NC(=O)c2cocn2)CC1 609328424 DSFGNVITBSDPDJ-UHFFFAOYSA-N 234.259 0.392 30 20 BCED N#CC1(C(=O)Nc2c[nH]ccc2=O)CCOCC1 609449833 NGYHUETWOUUXAP-UHFFFAOYSA-N 247.254 0.634 30 20 BCED N#Cc1nc(NC(=O)C[C@@H]2CCOC2)[nH]c1C#N 610090544 WXBKTUIMAJADMT-ZETCQYMHSA-N 245.242 0.518 30 20 BCED COC(=O)[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C 610091186 ROMNLXBRAOIOFD-HTQZYQBOSA-N 226.276 0.850 30 20 BCED C[C@@]1(C#N)CCCN(c2ccc3nnnn3n2)C1 612107966 XRHAAHZHBBHPGG-NSHDSACASA-N 243.274 0.649 30 20 BCED Cn1cc(C#N)c(NC(=O)NCCCC#N)n1 612313524 NCUNVEGWFKKWAM-UHFFFAOYSA-N 232.247 0.717 30 20 BCED COCC#CCOc1cnc(C#N)nc1 614471022 OSIORXIVUGNNRK-UHFFFAOYSA-N 203.201 0.377 30 20 BCED C=C[C@H](O)C(=O)Nc1ncc(CCO)s1 614916387 LCYQEONMEGPKJY-ZETCQYMHSA-N 228.273 0.163 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 615743391 GOFGFLHXRRMLGM-USZNOCQGSA-N 239.315 0.685 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnn(C)c1 630029849 BHTUSOAGERKOEC-ZJUUUORDSA-N 221.260 0.950 30 20 BCED C=CCCN(C)C(=O)[C@H]1CCCNC1=O 632702882 HCFRUPKWGGHXSK-VIFPVBQESA-N 210.277 0.547 30 20 BCED C=CCNC(=O)CN1CCC[C@@H]1c1ncccn1 639840601 OONKRHZACMFHIW-LLVKDONJSA-N 246.314 0.916 30 20 BCED C=CCN(C)S(=O)(=O)C[C@@H](COC)OC 641435982 ZQRVIGZZFKSYML-SECBINFHSA-N 237.321 0.095 30 20 BCED C=C[C@@H](O)C(=O)NCc1ccc(COC)cc1 646662926 DPNALTKTEZAVLD-GFCCVEGCSA-N 235.283 0.996 30 20 BCED C=C[C@H](O)C(=O)NCCCn1ccnc1C 646690832 WPXUZQMICSLBFR-JTQLQIEISA-N 223.276 0.245 30 20 BCED CC#CC[C@H](CO)NC(=O)C(=O)c1ccc[nH]1 647681088 XUDSSWAYZATQTE-SECBINFHSA-N 234.255 0.088 30 20 BCED CC#CCN(C)C(=O)NC[C@@H](C)C(=O)O 655881067 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C=C[C@H](CO)NC(=O)c1ccc2c(c1)OCCO2 290443811 BHEGKPQEBUCNQE-SNVBAGLBSA-N 249.266 0.735 30 20 BCED CCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 291305185 KVCYGOYRIAUUDB-DTWKUNHWSA-N 240.259 0.079 30 20 BCED Cc1nc(NCC#CCO)ccc1C#N 291963354 OIUVEAHWTAPATE-UHFFFAOYSA-N 201.229 0.669 30 20 BCED C=C[C@@H](CO)NC(=O)C[C@](C)(O)c1ccccc1 292550045 DOGQZBSFNWLPJS-JSGCOSHPSA-N 249.310 0.947 30 20 BCED C#CCN(C)C(=O)NCC1(N(C)C)CCC1 292763567 BFHYFQXFAMXXPR-UHFFFAOYSA-N 223.320 0.745 30 20 BCED C#CCN(C)C(=O)NCCC[C@@H](C)CO 293115551 VAZRWQWXFQWXLL-SNVBAGLBSA-N 212.293 0.670 30 20 BCED C=C[C@@H](C(=O)O)N1CC[C@](C)(C(=O)NC)C1 301014965 HUCCVXUIQXRFOZ-KWQFWETISA-N 226.276 0.084 30 20 BCED C=C[C@H](C(=O)O)N1CCN(CC)[C@H](C)C1 301050697 SQBSTMSZZVWVQB-NXEZZACHSA-N 212.293 0.652 30 20 BCED CS(=O)(=O)O[C@H]1Cc2ccc(N)cc2C1 306920112 LODRPFNREHPJHT-JTQLQIEISA-N 227.285 0.712 30 20 BCED C#CCCCNC(=S)NCCOC 308387421 XUTVCRQHOYLVKX-UHFFFAOYSA-N 200.307 0.510 30 20 BCED C=CCCOCC(=O)NCC(C)(C)N 308839208 MQXMNPCUVWTQIB-UHFFFAOYSA-N 200.282 0.433 30 20 BCED C=CCNc1nc(O)c2cnn(C)c2n1 308867580 GSCUJIAUCNFSQZ-UHFFFAOYSA-N 205.221 0.667 30 20 BCED C[C@H](O)CCCn1cnc(C#N)c1C#N 308920149 OTTNBRJXKAIBNH-QMMMGPOBSA-N 204.233 0.787 30 20 BCED CON=Cc1ccc(C(=O)NCC#N)cc1 309047062 KLGGTBLMEYCCEI-UHFFFAOYSA-N 217.228 0.920 30 20 BCED C=CCN(CC=C)C(=O)c1cnn(C)c1N 309579699 RPIILTLRLLMLBO-UHFFFAOYSA-N 220.276 0.817 30 20 BCED N#CCCN1CCN(C(=O)c2occc2N)CC1 313194839 KHOMJASBYOXQCC-UHFFFAOYSA-N 248.286 0.533 30 20 BCED C[C@H]1CN(CCN(C)CCC#N)C[C@@H](C)O1 314090463 YXUSLEFXJHKWNC-TXEJJXNPSA-N 225.336 0.941 30 20 BCED CN1CCO[C@H](/C(O)=N/C[C@H](O)C2CC2)C1 328658091 QKCDDULSLLOSKC-UWVGGRQHSA-N 228.292 0.044 30 20 BCED C[C@@H]1C[C@H](O)CN1/C(O)=N/[C@H]1CCCOC1 329329306 YIRXAXITNZVBDF-UTLUCORTSA-N 228.292 0.535 30 20 BCED CN1C[C@H](/N=C(/O)[C@@]2(C)CCOC2)C(O)=N1 329420589 HHRONPMSELNQPT-XVKPBYJWSA-N 227.264 0.555 30 20 BCED OC1=NCCC[C@@H]1/N=C(/O)Nc1cnns1 330205364 CJAQNFMJHAWXAS-YFKPBYRVSA-N 241.276 0.983 30 20 BCED COC(=O)C1(O)CCN(CCCC#N)CC1 330599070 GAYQXLLQVLCWDB-UHFFFAOYSA-N 226.276 0.290 30 20 BCED CO[C@@]1(CNC(=O)CCCC#N)CCOC1 330902502 SMHBDJQQYSOTJL-LLVKDONJSA-N 226.276 0.602 30 20 BCED CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C)CC#N)C1 331328794 QDSXBRXLAHMTJE-VHSXEESVSA-N 237.303 0.663 30 20 BCED CCO[C@@H]1C[C@H](NC(=O)CC#N)[C@@H]1OC 331961303 AHBFQVBXBPLHSF-XKSSXDPKSA-N 212.249 0.209 30 20 BCED CC[C@@H](CC#N)NC(=O)CCS(C)(=O)=O 332504376 VAIOEHPHYVAMIZ-QMMMGPOBSA-N 232.305 0.230 30 20 BCED CN(C)C(=O)CCNC(=O)NCCCC#N 332505595 KETYJIUXGKOOPV-UHFFFAOYSA-N 226.280 0.068 30 20 BCED C[C@@H](C#N)C(=O)N1CCN(C)CC[C@@H]1C 334166545 AQJIULIILQCLQG-UWVGGRQHSA-N 209.293 0.699 30 20 BCED C[C@@]1(F)CCN(CC(=O)NC2(C#N)CCC2)C1 334536908 JVOJXMZQAJXFJA-LLVKDONJSA-N 239.294 0.983 30 20 BCED C=CC1CCN(C(=O)Nc2ncn(C)n2)CC1 334731844 WQZGAHUHTNNPNS-UHFFFAOYSA-N 235.291 1.245 30 20 BCED C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(C#N)o1 334872724 JGMAQIGQMFOVIL-DTWKUNHWSA-N 234.255 0.994 30 20 BCED CCNC(=O)C1CN(C(=O)[C@@]2(C#N)C[C@H]2C)C1 335149627 AKWBUKRSUQEYII-PRHODGIISA-N 235.287 0.131 30 20 BCED CC#CCCNc1ccc(S(C)(=O)=O)cn1 336677687 QGBHMMOKOCGUNO-UHFFFAOYSA-N 238.312 1.310 30 20 BCED CN(CC#N)C(=O)c1cncc(-n2ccnn2)c1 338578380 ANLOPPFWDCTYQU-UHFFFAOYSA-N 242.242 0.258 30 20 BCED N#CCN(CC#N)C(=O)CCc1cscn1 338927551 YIRYDTBHEJEXTK-UHFFFAOYSA-N 234.284 0.951 30 20 BCED CC#CCN(C)[C@@H]1CCN(C2CC2)C1=O 339752497 ZQSOXXCZNKQTTE-LLVKDONJSA-N 206.289 0.705 30 20 BCED C=CCOCC(=O)N[C@@H]1CCO[C@@H]1C1CC1 340665169 FIQCFNBAZHVIHF-ZYHUDNBSSA-N 225.288 0.873 30 20 BCED COC(=O)c1ccc(C(=O)NCC#N)cc1 343029191 JTOQWLABKVTPJD-UHFFFAOYSA-N 218.212 0.727 30 20 BCED C[C@@H](C#N)C(=O)NCc1ccc(N(C)C)nc1 345794072 XSDGPWWJUVASED-VIFPVBQESA-N 232.287 0.923 30 20 BCED CNC(=O)[C@@H]1CCC[C@@H]1NC[C@@H](C#N)CCC#N 345871273 BFCXAKLNVSDPGI-UTUOFQBUSA-N 248.330 0.934 30 20 BCED COc1ccc(NC(=O)N[C@H](C)CC#N)nn1 346634864 NYLGZBIUWOKCSC-SSDOTTSWSA-N 235.247 0.909 30 20 BCED C[C@H](C#N)C(=O)NCC(=O)OC(C)(C)C 347081051 JCWVPWWUPXCTQE-SSDOTTSWSA-N 212.249 0.604 30 20 BCED CC(=O)N[C@H](C)C(=O)N[C@@H](C#N)C(C)C 347304422 OKLAQZHYLQLRTL-APPZFPTMSA-N 211.265 0.175 30 20 BCED C=CCOCCCN1C[C@H](O)C[C@H]1CO 348054930 ZFPWKEZZLVGZGA-WDEREUQCSA-N 215.293 0.007 30 20 BCED COCCc1nc(CN(C)C[C@H](C)C#N)no1 351497848 UYDGVSYZHVGBMX-SECBINFHSA-N 238.291 0.850 30 20 BCED C=CCN(C(=O)NCCn1cncn1)C1CC1 357573971 RGYPFNKGIZLKRV-UHFFFAOYSA-N 235.291 0.638 30 20 BCED COC[C@H](CNC(=O)N(C)C[C@@H](C)C#N)OC 358390877 FWCDAKISQJOQLZ-UWVGGRQHSA-N 243.307 0.449 30 20 BCED CC[C@@H](NC(=O)c1cccc(C#N)c1C)C(N)=O 362251540 XWFPGPXHMSCHNF-LLVKDONJSA-N 245.282 0.860 30 20 BCED N#CCC(=O)N1CCC[C@H]1CN1CCOCC1 366459347 XKEHDJREOPGXBT-NSHDSACASA-N 237.303 0.223 30 20 BCED C#CCNC(=O)CN[C@@H]1CSC[C@@H]1C 379573805 JGIXTFMGBDYHMV-DTWKUNHWSA-N 212.318 0.077 30 20 BCED C#C[C@@H](NCc1nnc(C)o1)[C@@H]1CCCO1 381558799 QGRAWEJUPAAORF-ZJUUUORDSA-N 221.260 0.648 30 20 BCED C=C(C)COCCNC[C@H](O)CN(C)C1CC1 383675350 PEUMCBAHSCMWOD-ZDUSSCGKSA-N 242.363 0.624 30 20 BCED C#C[C@](C)(CC)NC[C@@H](O)CO[C@@H](C)COC 384193566 IIPNIRFUBYWBSE-YNEHKIRRSA-N 243.347 0.790 30 20 BCED CC1(C)CN(c2ccnc(C#N)n2)C[C@@H](CO)O1 385914136 IMCIWJBSZFSINN-VIFPVBQESA-N 248.286 0.324 30 20 BCED CC[C@@](C)(C#N)C(=O)NCc1nnc(C)n1C 393201583 LNVJEEFQTAHWAC-NSHDSACASA-N 235.291 0.680 30 20 BCED CC(=O)NCCNC[C@H](C#N)CCC#N 393606425 HEDMPEJIKPUZKN-JTQLQIEISA-N 208.265 0.156 30 20 BCED C=CC[C@H](CC)NC(=O)NCC(=O)O 393792062 DQTYGYCEDICNMH-ZETCQYMHSA-N 200.238 0.725 30 20 BCED C#CCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)O 405406406 XWDWCHZLHYZSSP-VHSXEESVSA-N 238.287 0.952 30 20 BCED CC[C@](C)(C#N)C(=O)NCCN1CCCC1=O 406030342 JHQAMCNXXYLYEL-GFCCVEGCSA-N 237.303 0.665 30 20 BCED N#C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCO1 407989604 KRHKFBOVJRJFFL-GMTAPVOTSA-N 205.261 0.903 30 20 BCED N#C[C@H]1COCCN1C(=O)CC[C@@H]1CCOC1 408244982 FGEHTANKMBCQOI-MNOVXSKESA-N 238.287 0.554 30 20 BCED C[C@H]1C[C@H](O)CN1C(=O)c1c[nH]c(C#N)c1 408284817 CTDWILNPOOMSNB-XVKPBYJWSA-N 219.244 0.482 30 20 BCED C=CCCOCCNC(=O)N[C@H]1CCCNC1 417967286 VDWAADMONMHLCY-NSHDSACASA-N 241.335 0.630 30 20 BCED C=CC[C@H](CO)CNC(=O)NC[C@@H](N)C(C)C 418378031 CBPSLFQZRHRZBS-WDEREUQCSA-N 243.351 0.454 30 20 BCED C=CCOCC(=O)NC[C@@H]1CCNCC1(F)F 424180542 VSUSSKMOPLMBAZ-VIFPVBQESA-N 248.273 0.550 30 20 BCED C=C[C@@H]1OCC[C@H]1CN[C@@H](C)CC(=O)NC 424292312 GLAZSJYIJKJDPK-DCAQKATOSA-N 226.320 0.692 30 20 BCED C=C[C@@H](CO)NC(=O)CNc1cccc(C#N)c1 426850426 IOWRQPUPEQPGIF-NSHDSACASA-N 245.282 0.633 30 20 BCED CC[C@H]1C[C@H](C(=O)N[C@@H](C)C#N)CC(=O)N1 432142067 XTVSYVVJEZMERG-CIUDSAMLSA-N 223.276 0.319 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NCCC(C)(C)O 450770208 IJTUKYANLCYFCN-ZJUUUORDSA-N 227.304 0.855 30 20 BCED C=C[C@@H](C)NC(=O)NCCN1CCCOCC1 454681939 SPYPRSKVIAZFSB-LLVKDONJSA-N 241.335 0.582 30 20 BCED C#CCN(CC)CC(=O)NC1CCOCC1 490742155 VRPUYHCBIRMINS-UHFFFAOYSA-N 224.304 0.237 30 20 BCED C#CCNC(=O)CCN1CCN(C)[C@H](C)[C@H]1C 491616839 BWQSOZRXUINKTE-VXGBXAGGSA-N 237.347 0.150 30 20 BCED C#C[C@H](C)N(C)C(=O)NC[C@H]1COCCO1 491667597 YAZLNMBCOAQJLN-UWVGGRQHSA-N 226.276 0.065 30 20 BCED C#CCN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 491691112 FJIAFVINOASIII-MRVPVSSYSA-N 234.307 0.146 30 20 BCED C#C[C@@H](CCC)NC(=O)[C@@H]1CCN(C)C(=O)C1 491753893 QJIYJVBRJHDJLN-MNOVXSKESA-N 236.315 0.773 30 20 BCED C#C[C@H](C)N(C)C(=O)N[C@H]1CCCN(C)C1=O 491777409 XEEPSCJNKOMOKE-UWVGGRQHSA-N 237.303 0.270 30 20 BCED C#C[C@H](C)N(C)S(=O)(=O)CCCCC#N 491791920 CPZDFEABBFJVGZ-JTQLQIEISA-N 228.317 0.964 30 20 BCED C#C[C@H](NC(=O)Cn1ccnc1C)C(C)C 491806525 QQTMZIMPFMXKTL-NSHDSACASA-N 219.288 0.966 30 20 BCED CC#CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 534999090 BZZABURGUWCFNG-SECBINFHSA-N 220.272 0.137 30 20 BCED CC#CCCNC(=O)[C@H](CCCC)NC(N)=O 544581761 OBWNRSFYNFWWDH-JTQLQIEISA-N 239.319 0.743 30 20 BCED CC#CCCN1CCSC[C@H]1C(N)=O 547317764 YOPPYHSPQGAHAI-VIFPVBQESA-N 212.318 0.303 30 20 BCED CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC1(F)F 564803984 SFKXLIKQETTYKK-VXNVDRBHSA-N 231.246 0.602 30 20 BCED CC(C)OCCC(=O)N[C@](C)(C#N)CN(C)C 566306735 XDWSFPXFWZIMJN-GFCCVEGCSA-N 241.335 0.762 30 20 BCED CC[C@@]1(O)CCN(c2ccnc(C#N)n2)C1 566485951 XUCLYRJAWXIZFA-LLVKDONJSA-N 218.260 0.699 30 20 BCED C[C@@](O)(CN=c1nc[nH]cc1C#N)C(F)(F)F 567380993 GFNNLFHMGZTRSN-MRVPVSSYSA-N 246.192 0.495 30 20 BCED CN1CC[C@H](CNc2cncc(C#N)n2)CC1=O 567719995 GVFWPOLRDVGJPN-VIFPVBQESA-N 245.286 0.629 30 20 BCED CCn1ccc(C(=O)N[C@](C)(C#N)COC)n1 567918649 FTNLKRFPUOYACU-LLVKDONJSA-N 236.275 0.561 30 20 BCED N#Cc1cc(=O)n(C[C@H]2CC[C@H](CN)CC2)cn1 568507302 QJPJPOKDTHBPJE-XYPYZODXSA-N 246.314 0.880 30 20 BCED C=CCCCCN1CCN(CCO)CC1 569555600 KEZUQMZRSULVIW-UHFFFAOYSA-N 212.337 0.953 30 20 BCED C=C[C@@](C)(O)CC(=O)NCc1nccn1CC 577649228 XDBQHIKUJDNGGM-GFCCVEGCSA-N 237.303 0.846 30 20 BCED C=C(C)CCN=c1cc[nH]cc1C(N)=O 578484665 XJDFPDUGHBMCGB-UHFFFAOYSA-N 205.261 0.981 30 20 BCED C[C@H](O)CN(C)S(=O)(=O)CC1(CC#N)CC1 589128687 QMUZAMFDTZEXDB-VIFPVBQESA-N 246.332 0.323 30 20 BCED N#Cc1nc(NCCOCCO)sc1Cl 590569677 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30 20 BCED C#CCN1C[C@@H]2C(NC(=O)C3CC4(CC4)C3)[C@H]2C1 961751596 HHYGQXRVMHQMHZ-RYUDHWBXSA-N 244.338 0.856 30 20 BCED C=CCN(C)[C@@H]1CCN(C(=O)Cc2nc[nH]n2)C1 972689036 ZIXHADGODFGQLA-SNVBAGLBSA-N 249.318 0.066 30 20 BCED C=CCN1C[C@H]2C(CNC(=O)c3cnco3)[C@@H]2C1 978557410 PNFJJJMBPPGTHE-QWRGUYRKSA-N 247.298 0.768 30 20 BCED N#CCN[C@H]1CCC[C@@H](NC(=O)c2ccon2)C1 980936707 YLAURPDUWWXYGR-VHSXEESVSA-N 248.286 0.829 30 20 BCED C[C@@H]1C[C@H](NCC#N)CN1C(=O)C1=COCCC1 988305444 RXKGHCXZPZVEKO-PWSUYJOCSA-N 249.314 0.783 30 20 BCED CCC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 990887357 KWEUPYISIIDTBV-UHFFFAOYSA-N 246.270 0.237 30 20 BCED C=CCN[C@H]1CCN(C(=O)CCn2cccn2)C1 1018525972 ASPMUTUXDQIUGD-LBPRGKRZSA-N 248.330 0.650 30 20 BCED C#CCN[C@H]1C[C@H](NC(=O)c2cncs2)C1 1020010276 FVCSYVQWHVGLJU-KYZUINATSA-N 235.312 0.627 30 20 BCED N#CCN1CCC[C@H]1CNC(=O)c1ccnnc1 1028161110 GQKPKCMMPQVZFM-NSHDSACASA-N 245.286 0.194 30 20 BCED C=C(C)CN1CC(NC(=O)c2cccc(O)n2)C1 1030183417 RAMDSYXCLYMTAB-UHFFFAOYSA-N 247.298 0.777 30 20 BCED CC#CCN1CC(CNC(=O)C2CC2)C1 1031508690 BONWRYDTRJYDQV-UHFFFAOYSA-N 206.289 0.468 30 20 BCED Cc1nc(C(=O)NC[C@@H]2CCN2CC#N)co1 1038174434 HEPQCOWQXISDOR-VIFPVBQESA-N 234.259 0.311 30 20 BCED C#CCN1C[C@H]2C[C@@H](NC(C)=O)C[C@H]1C2 1046998123 IPJAJXVGVUNMLD-QJPTWQEYSA-N 206.289 0.609 30 20 BCED CCC(=O)NCCN(CC)c1ccc(C#N)nn1 1100445873 YVFNPSIFKKUCHC-UHFFFAOYSA-N 247.302 0.701 30 20 BCED CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(C#N)nn1 1112913627 KBYNBSXTUZKCJA-JGVFFNPUSA-N 233.275 0.673 30 20 BCED CS[C@H](C)C(=O)NC1[C@@H]2CN(CC#N)C[C@@H]12 1113913070 GWLMSDOASSFTNG-IWSPIJDZSA-N 239.344 0.308 30 20 BCED N#CCN1C[C@H]2[C@H](NC(=O)CCC(F)F)[C@H]2C1 1114577128 PITCPJMVZWLQNH-VROVMSAKSA-N 243.257 0.602 30 20 BCED C=CCn1cnnc1S[C@H]1CCOC1=O 1115815746 FOZZMIQBLDQQNP-ZETCQYMHSA-N 225.273 0.872 30 20 BCED CC[C@@H](C#N)NC(=O)CCCCNC(N)=O 1116667359 FCLDIHFNCLJKGG-QMMMGPOBSA-N 226.280 0.243 30 20 BCED CC(C)(C#N)CC(=O)NCc1cc(=O)cc[nH]1 1119585869 UXCMAOXWTCALKJ-UHFFFAOYSA-N 233.271 0.931 30 20 BCED 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242.282 0.847 30 20 BCED C[C@H](C#N)CN(C)c1nccc(CO)n1 341372296 NPWOGYLYIFKSKQ-MRVPVSSYSA-N 206.249 0.565 30 20 BCED C=CCCN(C)S(=O)(=O)N(C)CCOC 342105830 ZSIVSPOJINTORZ-UHFFFAOYSA-N 236.337 0.317 30 20 BCED C=CC[C@H](CO)CNC(=O)[C@@H](C)OCC 342164986 QIGJDHQWNKGHPQ-ZJUUUORDSA-N 215.293 0.712 30 20 BCED N#Cc1cc(NCCCc2nc(O)n[nH]2)ccn1 342844452 FCVDYVGPNICUSB-UHFFFAOYSA-N 244.258 0.822 30 20 BCED CC[C@@H](C#N)NC(=O)[C@@H](C)CS(C)(=O)=O 343443523 BUBPUWQUHYWQAS-YUMQZZPRSA-N 232.305 0.085 30 20 BCED C=CCOCC(=O)N[C@@H](COC)[C@H]1CCCO1 345539755 JXVMCIUWNKFHBK-WDEREUQCSA-N 243.303 0.499 30 20 BCED C=CCNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O 345632946 CJGNEATWGVWUCS-SFYZADRCSA-N 219.306 0.358 30 20 BCED C[C@H](Cn1cccn1)NC(=O)c1c[nH]c(C#N)c1 346691600 ZQIPQTPLIBXKMW-SECBINFHSA-N 243.270 0.901 30 20 BCED CCCCN(C)CCNC(=O)[C@H](C)C#N 347119136 WHXROFOLKTWSNS-SNVBAGLBSA-N 211.309 0.994 30 20 BCED CCN(CCNC(=O)[C@@H](C)C#N)C(C)C 347137799 QHULGYZFZBKTJU-JTQLQIEISA-N 211.309 0.993 30 20 BCED 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C=CCCn1cc(CN=c2nc(C)[nH]n2C)nn1 656772598 UPVBOUYKKCOVDY-UHFFFAOYSA-N 247.306 0.325 30 20 BCED C=CCOCCNC(=O)[C@@H]1C[C@@]12CCNC2 662710056 FUODNVMSAFQBBL-CMPLNLGQSA-N 224.304 0.305 30 20 BCED C=CCCNC(=O)N[C@@H](CCO)COC 664195157 MALOZWYTJOWPKV-VIFPVBQESA-N 216.281 0.259 30 20 BCED C=C[C@@H](O)C(=O)NCc1scnc1C 668268175 JBGLLOOZVXFHOD-SSDOTTSWSA-N 212.274 0.615 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@H]1CCN(C(C)C)C1=O 668780285 XXVCRCZCQBBZHO-JOYOIKCWSA-N 240.303 0.049 30 20 BCED C=CCOCCNC(=O)NC[C@@H](N)CC 669555155 CCMBBVZRXUZETC-VIFPVBQESA-N 215.297 0.226 30 20 BCED C=CCCOCC(=O)NC[C@@H](O)C1CC1 675280175 CFPNEGQZJKRQQN-SNVBAGLBSA-N 213.277 0.466 30 20 BCED COCC#CCN1CCCC[C@@H]1CCO 677818420 MTAYEZVVXYCTGT-GFCCVEGCSA-N 211.305 0.873 30 20 BCED C=C[C@H](C)NC(=O)N1CC[C@H](n2cncn2)C1 681609007 OBPOIMKIJKGKIB-UWVGGRQHSA-N 235.291 0.809 30 20 BCED C=CCCN(C)C(=O)Cc1ccn(C)n1 682428399 ALAWLLBTQFISLD-UHFFFAOYSA-N 207.277 0.997 30 20 BCED CC(=O)N1CCC(NC(=O)[C@@H](C)C#N)CC1 689557075 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BCED C#CCN(CC(=O)O)C[C@@H]1C[C@H]2CCC[C@H]2O1 720575484 RRZZJYGCQJKQNO-GRYCIOLGSA-N 237.299 0.964 30 20 BCED C=CCNC(=O)Nc1cc(C(=O)O)nn1C 725225665 WBMNBRIXFKYIHC-UHFFFAOYSA-N 224.220 0.426 30 20 BCED C=CCOCC(=O)OCC1(C)COC1 729893582 LOHDMFQGNOLEJA-UHFFFAOYSA-N 200.234 0.769 30 20 BCED C=CCCO[C@H](C)C(=O)NCCNC(=O)C=C 731883691 WRCOYWSKMMRJRV-SNVBAGLBSA-N 240.303 0.386 30 20 BCED C=CCCCOC(=O)[C@H]1CC(=O)N(C)C1 735527156 HVHMXOKUVHKJPX-VIFPVBQESA-N 211.261 0.974 30 20 BCED C[C@H](C#N)CN(C)Cn1ccsc1=O 746610263 BTZDHMLJJHDHTJ-MRVPVSSYSA-N 211.290 0.959 30 20 BCED C[C@H](CO)NN=Cc1cccc2c1OCCO2 749816884 VETDGXXOAWRMMG-SECBINFHSA-N 236.271 0.762 30 20 BCED Cn1nncc1C=NNCc1ccccc1 751135130 SIJGQKTWLUCMJJ-UHFFFAOYSA-N 215.260 0.939 30 20 BCED COC[C@@H](C#N)OC(=O)C[C@](C)(O)C1CC1 751468942 HMGBAJOWWSTAEM-KOLCDFICSA-N 227.260 0.619 30 20 BCED Cc1cc(C=Nn2cnnc2O)c(C)n1C 754962319 UPHUTCGHCVLJGK-UHFFFAOYSA-N 219.248 0.821 30 20 BCED C#CCNC(=S)N(CC#C)CC#CC 758246748 NNBSIMKMHCRGQB-UHFFFAOYSA-N 204.298 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C=C[C@H](O)C(=O)N1CCC[C@H](C(=O)OCC)C1 590415875 SPQRTKLZPVEZFK-UWVGGRQHSA-N 241.287 0.335 30 20 BCED Cc1nc(O)ccc1C(=O)N1CC(C#N)C1 590485469 RRSIDYIDBAPASM-UHFFFAOYSA-N 217.228 0.691 30 20 BCED C=CCCn1cc(C(=O)NC[C@@H](C)C#N)nn1 591763654 VPJSXTHKASDXMY-VIFPVBQESA-N 233.275 0.744 30 20 BCED N#CC[C@]1(O)CCN(c2ncnc3n[nH]cc23)C1 591975599 HNHBCZATCBPOGH-NSHDSACASA-N 244.258 0.208 30 20 BCED CC[C@H](C#N)C(=O)N1CCN(C(C)=O)C[C@@H]1C 593533089 WQPPZSGERRICNH-GXSJLCMTSA-N 237.303 0.615 30 20 BCED CC[C@H](C#N)C(=O)N[C@H](CO)CC(F)(F)F 593574937 BJNPADQQVFDCJK-RQJHMYQMSA-N 238.209 0.966 30 20 BCED N#CC1(C(=O)N[C@@H]2CCNC2)CCCC1 593904072 HUBNHUFQEWMJIW-SECBINFHSA-N 207.277 0.548 30 20 BCED N#Cc1nc(=N[C@@H](CO)CC2CCC2)cc[nH]1 594577209 YBZMAJRUCBTUJR-SNVBAGLBSA-N 232.287 0.733 30 20 BCED CC(C)(CC#N)CS(=O)(=O)NC/C=C\CO 594818611 DXIFCCJWBBCGGT-ARJAWSKDSA-N 246.332 0.394 30 20 BCED Cn1c(NCCCCC#N)cc(=O)n(C)c1=O 596106435 CEGCAQMBTFJWGC-UHFFFAOYSA-N 236.275 0.190 30 20 BCED CCc1nc(C#N)cc(N2CCO[C@@H](OC)C2)n1 596202840 JYSGVRAKTKBREY-GFCCVEGCSA-N 248.286 0.720 30 20 BCED C[C@H](CCNc1cc(C#N)ncn1)N(C)C 596430218 KFQINCFEEYUNCT-SECBINFHSA-N 219.292 1.100 30 20 BCED C=CCSCCNC(=O)[C@@H](COC)OC 596974750 XBZVKWHZMVHLTC-SECBINFHSA-N 233.333 0.683 30 20 BCED CC(C)[C@H](C#N)NC(=O)[C@H]1CCCc2nn[nH]c21 597189524 WNXDUYMERGMWMY-WPRPVWTQSA-N 247.302 0.889 30 20 BCED N#C[C@H](NC(=O)[C@H]1CC(=O)N1)C1CCCCC1 597341718 HAKIQCZZINQQDI-ZJUUUORDSA-N 235.287 0.464 30 20 BCED COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 598518555 FMNDQQLZCAZPSY-BWZBUEFSSA-N 210.233 0.214 30 20 BCED CC[C@H](C#N)NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 599239012 SUVMETQWPAOGIE-HLTSFMKQSA-N 223.276 0.319 30 20 BCED CCn1nnc(C)c1CN[C@@H](C)CC#N 601229705 YFAVTJGUVQPLTD-QMMMGPOBSA-N 207.281 0.998 30 20 BCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@](F)(C#N)C1 601521458 LGJFVDKIKIDPPY-KOLCDFICSA-N 241.266 0.365 30 20 BCED CN1CCC[C@@H]1C(=O)Nc1n[nH]cc1C#N 601642375 XQEIKTMTAXGFPR-MRVPVSSYSA-N 219.248 0.314 30 20 BCED C[C@H](CCC#N)CN(C)[C@@H]1CCNC1=O 602494957 SHQOUAOZJWSKGB-NXEZZACHSA-N 209.293 0.747 30 20 BCED COCCN1CCN([C@H](C#N)C(C)C)CC1 609485934 AIAJXMCLXFKCDC-GFCCVEGCSA-N 225.336 0.799 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 612102899 GAYYDBZIKVLZGQ-CWSCBRNRSA-N 238.331 0.665 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@H](O)CCC 612424051 NDEUDNFNFLLQPI-PSASIEDQSA-N 201.266 0.201 30 20 BCED C=C[C@H](O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 612946675 AFFBARLDRAGLSR-UKKRHICBSA-N 237.299 0.607 30 20 BCED C=C[C@H](O)C(=O)NCC1([C@H](O)C(C)C)CC1 613265868 QZQSPRHGFQDQEP-VHSXEESVSA-N 227.304 0.447 30 20 BCED C=C[C@H](O)C(=O)NC[C@@H]1CCOC[C@H]1C 614774646 QUNJGEDIPQIDAH-UTLUCORTSA-N 213.277 0.322 30 20 BCED CCNC(=O)CCN1CC[C@](F)(C#N)C1 615639156 SINZKYLENPFBLF-JTQLQIEISA-N 213.256 0.450 30 20 BCED CCN(C)C(=O)CCN1CC[C@](F)(C#N)C1 615645985 PLPQKEVJNLJINP-NSHDSACASA-N 227.283 0.792 30 20 BCED C=C[C@H](CO)NC(=O)[C@H]1CCc2cnc(C)n2C1 620591717 IWGRNJZFRJMQLG-WDEREUQCSA-N 249.314 0.417 30 20 BCED C=C(C)CS(=O)(=O)NCc1cccnc1O 625615916 WFTTWHXPNIFCMC-UHFFFAOYSA-N 242.300 0.783 30 20 BCED C=CCN1CC[C@H](Nc2cc(OC)n[nH]2)C1=O 629210518 TUPXABZFMUHCOR-QMMMGPOBSA-N 236.275 0.617 30 20 BCED C=CC[C@@H](CO)CNC(=O)c1cc(CO)on1 632295597 PPZKLPWRGXMQSP-MRVPVSSYSA-N 240.259 0.081 30 20 BCED C=CCn1cc(CNCC2=CCCOC2)nn1 643794517 XDQLCYHYEGOCOP-UHFFFAOYSA-N 234.303 0.900 30 20 BCED C=CCOCCN1CCN([C@@H]2CCOC2)CC1 645101788 PYURYOLXOYLLJM-CYBMUJFWSA-N 240.347 0.596 30 20 BCED C=C[C@H](O)C(=O)NCCc1ccccc1OC 646557320 GYHFMACPKIUXPP-NSHDSACASA-N 235.283 0.901 30 20 BCED C=CCOCCCC(=O)N1CCO[C@H]2C[C@H]21 646732134 UXPBUQDREPEYDG-MNOVXSKESA-N 225.288 0.969 30 20 BCED C=C[C@H](O)C(=O)N(CCO)CCCCC 646946194 IBKXOGIJGAWPID-JTQLQIEISA-N 215.293 0.544 30 20 BCED C=CCn1cc(C(=O)NC[C@@H](O)CCC)nn1 648826944 PHHHLNGBOMQCFU-VIFPVBQESA-N 238.291 0.355 30 20 BCED CC#CC[C@@H](CO)NC(=O)CCCC(C)=O 649192235 CJUWTUYBVOREKT-NSHDSACASA-N 225.288 0.636 30 20 BCED C=CCCN(C)C(=O)[C@H]1CCCS1(=O)=O 653757907 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C#C[C@@H](NC(=O)CSCC(=O)O)C(C)(C)C 702245517 UHYPAQOYRJESJG-MRVPVSSYSA-N 243.328 0.968 30 20 BCED C#CCCS(=O)(=O)NCCCOCC 711175228 QKZCZEHMEMGNAE-UHFFFAOYSA-N 219.306 0.356 30 20 BCED C#CCCCNS(=O)(=O)C1CCC1 717673580 UAGLARCUIKERMN-UHFFFAOYSA-N 201.291 0.872 30 20 BCED N#C[C@@H]1CN(S(=O)(=O)C2CCC2)CCO1 717746976 SWMZDMFFLBQXPY-MRVPVSSYSA-N 230.289 0.093 30 20 BCED C#CC[C@@H](CO)NC(=O)c1conc1C 717803977 YABMIZRHRQXTAK-QMMMGPOBSA-N 208.217 0.097 30 20 BCED C#CCC[C@H](O)CNC(=O)c1cc(C)n(C)n1 717843297 AQBIJCUJSZTGLD-JTQLQIEISA-N 235.287 0.233 30 20 BCED C#CCC[C@H](O)CNC(=O)c1cccnc1OC 717864709 WVKDVLRTKOEZRK-JTQLQIEISA-N 248.282 0.594 30 20 BCED C#CC[C@H](CO)NC(=O)C1(C)CC(F)(F)C1 720437700 LPZKKLZMEPEWHM-MRVPVSSYSA-N 231.242 0.922 30 20 BCED C#C[C@@H](C)NCc1cnc2n1CCOC2 722844620 MREVMJLHYBHMSZ-SECBINFHSA-N 205.261 0.525 30 20 BCED COCCC(=O)O[C@H](C)C(=O)N(C)CCC#N 727209538 BVFIMLZVGKINGZ-SECBINFHSA-N 242.275 0.327 30 20 BCED C#Cc1ccc(C(=O)NC[C@@H]2COCCO2)cn1 728862065 RPGCXNFIXGSEPS-GFCCVEGCSA-N 246.266 0.208 30 20 BCED COCC(=O)O[C@@H](C(=O)O)c1ccc(C#N)cc1 737733748 SUGSUSSUGCWALK-LLVKDONJSA-N 249.222 0.874 30 20 BCED C[C@@H](/N=C\c1cccc(O)c1O)C(=O)O 738943452 HBKSWBOCARDSPI-XDELZERXSA-N 209.201 0.990 30 20 BCED CNC(=O)[C@H](C#N)C(=O)[C@H]1Cc2ccccc21 744035519 OGGYCRIVUSGDAJ-WDEREUQCSA-N 228.251 0.781 30 20 BCED Cn1nncc1C=NNc1cccc(C(=O)O)c1 751130605 DVJCQFKGDNGZCW-UHFFFAOYSA-N 245.242 0.959 30 20 BCED C#CCOCCC(=O)NCCCCn1ccnc1 755906382 XDYLOTBSNWGVIL-UHFFFAOYSA-N 249.314 0.819 30 20 BCED C#CCNC(=S)N1CCC[C@H](CC(N)=O)C1 758236975 ASHXVGSEMOQWSC-SECBINFHSA-N 239.344 0.082 30 20 BCED C#CCNC(=S)NCCCO[C@@H]1CCOC1 758248018 TXBOTSSKDSBJRS-SNVBAGLBSA-N 242.344 0.279 30 20 BCED C#CCNC(=S)NC[C@H](CCC)CCO 758258438 QYNGWTYRBYHPDN-SNVBAGLBSA-N 228.361 0.882 30 20 BCED N#CCCCOC(=O)[C@@H]1CCNC(=O)C1 761209611 BUBSISBPUASDRP-MRVPVSSYSA-N 210.233 0.360 30 20 BCED C=CCCC(=O)COC(=O)C1=NNC(=O)CC1 761338582 QMBWAQAZZQXZHL-UHFFFAOYSA-N 238.243 0.331 30 20 BCED 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233.271 0.397 30 20 BCED N#CCCn1ccc(NC(=O)C2(O)CCC2)n1 331797511 RECIMSLORNITEU-UHFFFAOYSA-N 234.259 0.650 30 20 BCED CC(C)OCCCC(=O)N1CC(O)(CC#N)C1 332028564 JGMFNWHBASRTDR-UHFFFAOYSA-N 240.303 0.679 30 20 BCED N#C[C@]1(C(=O)N2CCNC(=O)C2)CC12CCCC2 333078947 FCWDHTUXYPSQDA-ZDUSSCGKSA-N 247.298 0.419 30 20 BCED Cc1ccc(C#N)cc1NC(=O)NCCN 335349922 YATJJSBNEFBLMI-UHFFFAOYSA-N 218.260 0.947 30 20 BCED N#CCN1CCN(C(=O)[C@@H]2C[C@H]2C(F)F)CC1 338196294 JJLVRTQCFHCUJT-RKDXNWHRSA-N 243.257 0.555 30 20 BCED CNC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C1 341554674 JMMXWWQDWICXEO-JTQLQIEISA-N 245.286 0.461 30 20 BCED C=CCCN(C)C(=O)c1cc([N+](=O)[O-])nn1C 341951497 PGADGEVNAYOYKG-UHFFFAOYSA-N 238.247 0.976 30 20 BCED Cn1cc(CC(=O)NCCCC#N)cn1 342636946 UFQSVJGZNDKXLK-UHFFFAOYSA-N 206.249 0.383 30 20 BCED Cc1nc(SCCC(=O)N(C)CC#N)n[nH]1 342730267 JGXVQDRMLFKQNY-UHFFFAOYSA-N 239.304 0.577 30 20 BCED C[C@H](CC#N)N(C)C(=O)[C@H]1CC[C@H](O)C1 344225977 ZIXKRSKAEVOSOZ-UTLUCORTSA-N 210.277 0.908 30 20 BCED 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CC[C@H](O)CNS(=O)(=O)CC(C)(C)CC#N 420741363 HOOBDFIOJMEDBS-VIFPVBQESA-N 248.348 0.617 30 20 BCED C=C(C)CNC(=O)NC1CCN(OC)CC1 420828116 CWBGXCAOAAHYOC-UHFFFAOYSA-N 227.308 0.888 30 20 BCED C=CCn1cc(CN[C@H]2CCOC2)nn1 424175500 ULZUJNQVOBTHQE-VIFPVBQESA-N 208.265 0.343 30 20 BCED C=CCn1cc(CNC(=O)[C@@H](C)[C@@H](C)N)nn1 424205052 FRUPFYQLZQDEDG-DTWKUNHWSA-N 237.307 0.064 30 20 BCED C=CCN(C)CCN(CC)CC(=O)OCC 429729994 YQZXVWCBRUQARE-UHFFFAOYSA-N 228.336 0.989 30 20 BCED C=CCOCC(=O)N1CC[C@@](C)(C(=O)NC)C1 431271156 WLURHFKWBLASRA-GFCCVEGCSA-N 240.303 0.174 30 20 BCED C=CCOCCN1C(=O)[C@@H]2CCCN2C1=O 431746639 VZLULVPGXWIPRH-VIFPVBQESA-N 224.260 0.616 30 20 BCED CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCNC1=O 442577288 FAUAIYBNMUDWSW-SNVBAGLBSA-N 246.270 0.237 30 20 BCED C=C(C)CCNC(=O)N[C@H](C)C(=O)N(C)C 454345830 QDOAVDMZAAKXJC-SECBINFHSA-N 227.308 0.729 30 20 BCED CC[C@H](C)N(CC(=O)OC)C(=O)[C@@H](C)C#N 456062014 GNRPPLZJZSCPTJ-IUCAKERBSA-N 226.276 0.946 30 20 BCED C=CCCCNC(=O)N1CCOC[C@@H](O)C1 458736229 VGBKLWNXYZMGSP-JTQLQIEISA-N 228.292 0.355 30 20 BCED Cc1[nH]c(=NCc2nccc(N)n2)ccc1C#N 488124769 KPLAITODITWPMP-UHFFFAOYSA-N 240.270 0.668 30 20 BCED C=CCCCS(=O)(=O)N1C[C@@H](O)[C@@H](CC)C1 489690904 MSORJXLGBXPXQC-WDEREUQCSA-N 247.360 0.985 30 20 BCED C#CCN(CC#N)C(=O)c1cc(C(C)=O)cn1C 490997832 VCFOBFXXESKGEZ-UHFFFAOYSA-N 243.266 0.827 30 20 BCED C#CCNC(=O)CCN1CCN(CC)C[C@H]1C 491067493 IMMUSKKSRAAGLZ-GFCCVEGCSA-N 237.347 0.152 30 20 BCED C#C[C@H](CC)NC(=O)CCNC(=O)OC 491626642 SZGOTOQFIOKOGJ-MRVPVSSYSA-N 212.249 0.261 30 20 BCED C#CCN(C)CCCNC(=O)NC[C@H](C)C#N 491642869 CLLVBORURNWCHH-LLVKDONJSA-N 236.319 0.400 30 20 BCED C#C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C(C)(C)C 491704031 AYGAEDDQFSKNBK-UWVGGRQHSA-N 236.315 0.677 30 20 BCED C[C@H](C#N)CNC(=O)CNC(=O)c1ccco1 530642791 LPWSLNSCEMVVNE-MRVPVSSYSA-N 235.243 0.285 30 20 BCED C=CCOCCn1cnc2c(c1=O)CCNCC2 564726029 HVYPYGYZSKWYPA-UHFFFAOYSA-N 249.314 0.134 30 20 BCED C=C(C)CCNC(=O)N(C)CCNC(C)=O 566153498 PXMLRPNKIUJGGE-UHFFFAOYSA-N 227.308 0.730 30 20 BCED CN1CCCN(c2ccc(C#N)c(N)n2)CC1 568107415 MCXKRMHZYMSXPH-UHFFFAOYSA-N 231.303 0.677 30 20 BCED C[C@H](C(=O)NCC1(C#N)CC1)n1cccn1 572198916 OVQKNSVPTXPLSX-SECBINFHSA-N 218.260 0.864 30 20 BCED CNCCNC(=O)Nc1ccc(C#N)cc1OC 573070958 HMRNORIWVPOOGL-UHFFFAOYSA-N 248.286 0.908 30 20 BCED N#CCc1cccc(C(=O)N2CC[C@H](N)C2)c1 574409493 OUVTXGXRWDGETO-LBPRGKRZSA-N 229.283 0.926 30 20 BCED CC[C@H](CC#N)NCCN1CCO[C@@H](C)C1 575759420 SUVWGVMLCPQMMT-NWDGAFQWSA-N 225.336 0.989 30 20 BCED N#CC1(CNC(=O)N[C@H](CO)CC(F)F)CC1 577570699 VDYLATMCJYWDSU-ZETCQYMHSA-N 247.245 0.605 30 20 BCED C[C@@H]1CN(Cc2ccc(C#N)cn2)CC[S@]1=O 583760659 ICJQSSLAEUCSPN-BMLIUANNSA-N 249.339 0.906 30 20 BCED NCC#Cc1cnn(C[C@@H]2CCCOC2)c1 585142740 AFQUGXNFEKCWKM-LBPRGKRZSA-N 219.288 0.620 30 20 BCED N#Cc1cccc(C(=O)N2CCOC[C@H]2C#N)n1 589433068 XOXRQFLOEBNUJN-SNVBAGLBSA-N 242.238 0.318 30 20 BCED C[C@H]1CN(C(=O)c2cccc(C#N)n2)C[C@H]1O 589471940 KAWXUNLMIXIHKC-GZMMTYOYSA-N 231.255 0.406 30 20 BCED C=C[C@H](Nc1cc(C2CC2)n(C)n1)C(=O)OC 589571503 VECQACJBDJTOPE-VIFPVBQESA-N 235.287 1.437 30 20 BCED N#CC1(C(=O)Nc2nnc3nc[nH]n23)CCCC1 590553157 XIRBQEHJDHKFME-UHFFFAOYSA-N 245.246 0.475 30 20 BCED CC[C@H](C#N)C(=O)NCCN1CCO[C@@H](C)C1 593443374 GNFHVQVSEVZYFP-WDEREUQCSA-N 239.319 0.373 30 20 BCED CC[C@H](C#N)C(=O)NC[C@H](CO)[C@@H]1CCOC1 593677793 GWJPHYATFWSMLW-GMTAPVOTSA-N 240.303 0.297 30 20 BCED CC[C@@H](C#N)N(C)C(=O)[C@@H](C)S(C)(=O)=O 594087945 JMGIPOFIJXKHSK-SFYZADRCSA-N 232.305 0.180 30 20 BCED CNC[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 595275173 IMCPRPFFKXTTCC-JQWIXIFHSA-N 238.335 0.930 30 20 BCED N#CC[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1 595615874 UJOFFGWGKDBWCB-STQMWFEESA-N 248.330 0.870 30 20 BCED N#Cc1nc(N2CC(O)C2)sc1Cl 596105889 QILODDIZJQCGEY-UHFFFAOYSA-N 215.665 0.849 30 20 BCED Cc1nsc(N2C[C@@H](O)[C@@H](CO)C2)c1C#N 596264107 ICZFRLJQMJAPLA-VXNVDRBHSA-N 239.300 0.113 30 20 BCED C[C@H]1[C@H](CO)CCCN1c1cc(C#N)cnn1 596278866 NOKJIFPYVNMILV-ONGXEEELSA-N 232.287 0.945 30 20 BCED C[C@@H](CCNC(=O)NCCCC#N)N(C)C 596555737 UBBWQBHMRJTSPO-JTQLQIEISA-N 226.324 0.930 30 20 BCED C=C[C@H](O)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC 596968082 UFIWQIQTBOJLTM-CIUDSAMLSA-N 229.276 0.237 30 20 BCED Cc1ncc(C(=O)NCCCCC#N)c(N)n1 597149694 HRBVEPXDNRYVSR-UHFFFAOYSA-N 233.275 0.791 30 20 BCED COC[C@@](C)(C#N)NC(=O)C1CC(OC)C1 599674947 LQKAKCQLAMYLMW-NWGYLPEXSA-N 226.276 0.456 30 20 BCED C[C@H](C#N)C(=O)NC[C@H]1CCCCN(C)C1 600312354 FRROSWBJTSCQFX-GHMZBOCLSA-N 223.320 0.994 30 20 BCED CNC1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 600825253 QRRARNBFALPFRV-UHFFFAOYSA-N 232.287 0.758 30 20 BCED N#CCNC(=O)c1ncc2n1CCCC2 601026835 SQMJYVJNIKZKGN-UHFFFAOYSA-N 204.233 0.473 30 20 BCED Cn1c(C(=O)NCC(C)(C)CC#N)cnc1O 601626378 OZTOCNCKPATAGL-UHFFFAOYSA-N 236.275 0.795 30 20 BCED C[C@H](C#N)N(C)C(=O)[C@@H]1C[C@@]12CCOC2 602424034 WXXAOMAMSDCBNR-WCABBAIRSA-N 208.261 0.783 30 20 BCED CN(CCC#N)CC(=O)Nc1ccccn1 602778890 INJXNEAMTBCEPM-UHFFFAOYSA-N 218.260 0.866 30 20 BCED CCNC(=O)CCC(=O)N(CC#N)C1CC1 609156398 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CN(CC/N=C(/O)N(C)C)CC1(O)CCCC1 330700739 NKKGJWMYJXIOCN-UHFFFAOYSA-N 243.351 0.699 30 20 BCED OC[C@H]1CCN(/C(O)=N/CCn2cccn2)C1 330807537 ICTXCJSHJAHRRH-JTQLQIEISA-N 238.291 0.111 30 20 BCED C[C@](O)(CNC(=O)c1cc(C#N)c[nH]1)C1CC1 331682591 QHPGIGBEARMUQL-LBPRGKRZSA-N 233.271 0.777 30 20 BCED CSCC[C@H](O)C(=O)N1CC(C)(C#N)C1 332048760 NABQGXOUTZQKPB-QMMMGPOBSA-N 228.317 0.472 30 20 BCED N#CCC(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 334395693 BWZZFVIXAUPJKQ-BDAKNGLRSA-N 221.260 0.170 30 20 BCED CC#CCNC(=O)N1CC[C@H](n2cccn2)C1 334861506 ZGRRPRWLYPUIFM-NSHDSACASA-N 232.287 0.863 30 20 BCED C=C[C@@H]1CCCCN1C(=O)CN1CCOCC1 335212566 XXAKBBNWTZPMAT-GFCCVEGCSA-N 238.331 0.886 30 20 BCED C[C@H](C#N)C(=O)N1CCSC[C@H]1C#N 335959747 YFDKMCNFHIDBTP-HTQZYQBOSA-N 209.274 0.614 30 20 BCED C[C@@H](C#N)N(C)C(=O)CN1CCCCCC1=O 336281385 PJFLDSXALVBARB-JTQLQIEISA-N 237.303 0.759 30 20 BCED N#Cc1cc(C(=O)NC[C@H]2CCCC(=O)N2)c[nH]1 336412275 JCYAUYOJFGLDFZ-SECBINFHSA-N 246.270 0.285 30 20 BCED 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C#Cc1ccc(CNC(CO)CO)cc1 393633562 SUERRLYXGVMHMI-UHFFFAOYSA-N 205.257 0.111 30 20 BCED CC/N=C(/NCC)NCCC[S@@](C)=O 395550721 TUBXGNIFKAFXLP-CQSZACIVSA-N 219.354 0.330 30 20 BCED CNC(=O)CCN1CCC[C@@H](CC#N)C1 397719063 VOXHMSBUDZTREM-JTQLQIEISA-N 209.293 0.748 30 20 BCED C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CO1 402328980 NNPVORUCASUAFB-VXNVDRBHSA-N 204.233 0.938 30 20 BCED Cc1cccc2c1O[C@H](C(=O)NCC#CCO)C2 412325616 XBSHVONEDDJAQW-LBPRGKRZSA-N 245.278 0.410 30 20 BCED CC(C)(CC#N)CNC(=O)NC[C@H]1CCCN1 418274497 CTPGWEDXQRLREZ-SNVBAGLBSA-N 238.335 0.977 30 20 BCED C=CCn1cc(CN[C@H](C)Cn2cccn2)nn1 424290987 CYRJLVNLCYWCME-LLVKDONJSA-N 246.318 0.839 30 20 BCED CSCC[C@H](O)C(=O)N[C@@H]1CC[C@H](C#N)C1 424968372 WABWHDGXTJCUIG-AEJSXWLSSA-N 242.344 0.909 30 20 BCED COCCN(C)CCCNC(=O)NCCC#N 426433981 USURZILPMMHRDV-UHFFFAOYSA-N 242.323 0.168 30 20 BCED N#CCCNC(=O)c1cnn2ncccc12 427644099 FUZRVQPOEKMXKG-UHFFFAOYSA-N 215.216 0.373 30 20 BCED C=CCC[C@H](NS(=O)(=O)CC)C(=O)OCC 451992726 MIKZLJTZTCUMOW-VIFPVBQESA-N 249.332 0.824 30 20 BCED C=C[C@@H](CO)NC(=O)N[C@H]1C[C@@H](OCC)C1 459166585 XUAKJNGKHVCNJO-LPEHRKFASA-N 228.292 0.400 30 20 BCED Cc1[nH]c(=NCc2cncnc2N)ccc1C#N 488077534 GUJSNCXZHCDFRY-UHFFFAOYSA-N 240.270 0.668 30 20 BCED C=CCN(C)C(=O)NCc1nnc2n1CCCC2 488915063 VPXVMEJSHJIFJF-UHFFFAOYSA-N 249.318 0.942 30 20 BCED C#CCNC(=O)N(C)C[C@@H](O)C(F)(F)F 490913136 BQMGFAQZWDLTFO-ZCFIWIBFSA-N 224.182 0.184 30 20 BCED C#C[C@@H](C)N(C)CN1C(=O)[C@H]2C=C[C@H]1C2 491536565 KRFRTEGGJJVOJV-VWYCJHECSA-N 204.273 0.684 30 20 BCED C#C[C@@H](CCC)NC(=O)N[C@H]1CCN(C)C1=O 491538212 XKYLWXCLXOQCOM-UWVGGRQHSA-N 237.303 0.318 30 20 BCED C#C[C@H](CC)NC(=O)NCc1cnn(C)c1 491734554 OUENERUEJDVWJY-SNVBAGLBSA-N 220.276 0.631 30 20 BCED C#CCNC(=O)CCNCC1(COC)CCC1 491781166 NEDPXGNUSLMXFD-UHFFFAOYSA-N 238.331 0.532 30 20 BCED C#C[C@@H](CCC)NC(=O)C[C@H]1COC(=O)C1 491816520 HVNDPVLMGNMRBZ-ZJUUUORDSA-N 223.272 0.858 30 20 BCED N#Cc1c2c(cn(CCOCCO)c1=O)CCC2 515175531 XGGAGVRSLFQPBC-UHFFFAOYSA-N 248.282 0.218 30 20 BCED C[C@@]1(CO)CN(CC2(C#N)CC2)C[C@]1(C)CO 528751688 MNESZQBWOVJQCW-TXEJJXNPSA-N 238.331 0.603 30 20 BCED CC(C)(C#N)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 542829870 INJUQWJLSQKSJU-MRVPVSSYSA-N 235.287 0.416 30 20 BCED C=C[C@](C)(CC)C(=O)N1CC(=O)N(C)C(=O)C1 563401180 JJBADNWYTHLKNG-GFCCVEGCSA-N 238.287 0.416 30 20 BCED CC[C@H](C[C@@H](C)CO)NS(=O)(=O)CCC#N 565492410 UXFHNLGAGAFSFA-NXEZZACHSA-N 248.348 0.617 30 20 BCED N#Cc1cncnc1N1[C@H]2CC[C@H]1COC2 567584213 HJKMSKRKQMHOOR-UWVGGRQHSA-N 216.244 0.716 30 20 BCED CC1=NNC(=O)[C@@H]1CCNc1cncc(C#N)n1 567752092 YADPCLRPPTXXRQ-SECBINFHSA-N 244.258 0.272 30 20 BCED N#Cc1cncc(N2CCc3n[nH]cc3C2)n1 568504768 CWFRUCSZPHFNHN-UHFFFAOYSA-N 226.243 0.634 30 20 BCED N#Cc1csc(CN2CC(O)(C(F)F)C2)n1 569687660 AXNVWBLBBQMKON-UHFFFAOYSA-N 245.254 0.827 30 20 BCED COC1(C(=O)N2CCO[C@@H](C#N)C2)CCCC1 571496797 NGKKQMSOBZJMTE-JTQLQIEISA-N 238.287 0.697 30 20 BCED N#CC1(CNC(=O)c2ccncn2)CC1 577817381 UXVYJMKLEISNBN-UHFFFAOYSA-N 202.217 0.510 30 20 BCED COc1cncc(NC(=O)CCCC#N)n1 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221.264 0.464 30 20 BCED CCN(C(=O)CCC(=O)OC)[C@@H](C)C#N 598351371 VCSBWBGXGOLANG-QMMMGPOBSA-N 212.249 0.700 30 20 BCED N#C[C@@H]1CCC[C@@H](NCCN2CC[C@H](O)C2)C1 599091539 BZWOVGWMJZIRRO-UPJWGTAASA-N 237.347 0.725 30 20 BCED CC[C@H](O)CNC(=O)C1(C#N)CC2(CC2)C1 601592589 CFLCYTUJOKICTP-VIFPVBQESA-N 222.288 0.957 30 20 BCED N#CC1CN(C(=O)[C@H]2CCN2C2CCCC2)C1 602160099 LEWBIWJCSRPZAA-GFCCVEGCSA-N 233.315 0.985 30 20 BCED CNC(=O)CCNCc1cccc(C#N)n1 602532236 SACRRKHGCJMZLI-UHFFFAOYSA-N 218.260 0.179 30 20 BCED N#Cc1cccc(CN[C@@]2(CCO)CCOC2)n1 602638944 YRZGQLMWIKDAKS-ZDUSSCGKSA-N 247.298 0.584 30 20 BCED COCCN1CN(C[C@H](C)CCC#N)CC1=O 602651100 FTHYCOCDLUPFPI-LLVKDONJSA-N 239.319 0.674 30 20 BCED C[C@@H](CC#N)NCC(=O)NCc1cccnc1 602863170 OCHUJNUXTPPWKR-JTQLQIEISA-N 232.287 0.590 30 20 BCED C=C[C@@H](C(=O)OC)N1CCC[C@@](O)(CC)C1 602983570 NFCBPVQLXXZVAQ-JQWIXIFHSA-N 227.304 0.951 30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@@H]1c1ncon1 615123366 NFGGANQKXHQLKB-HTQZYQBOSA-N 223.232 0.280 30 20 BCED C=CCNC(=O)CNC(=O)[C@@H](OCC)C1CC1 626378975 LDDPOGKCJBOCFF-NSHDSACASA-N 240.303 0.220 30 20 BCED C=CCN(CCOC)C(=O)[C@@H](CC)NC(C)=O 632750048 ORXFIFZKEMQVDZ-LLVKDONJSA-N 242.319 0.562 30 20 BCED COCC#CCN(C)Cc1c[nH]nc1C 639970393 FFQUDQIFIVMKMQ-UHFFFAOYSA-N 207.277 0.800 30 20 BCED C=CCOCCN1CCc2nnc(NC)cc2C1 645083259 CAWLEIOSHHJEKM-UHFFFAOYSA-N 248.330 1.079 30 20 BCED C=C[C@H](O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O 646676938 IZFQQKWTEQUGFX-QJPTWQEYSA-N 233.267 0.308 30 20 BCED C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1cccn[nH]1 652677514 RLUDMRRCJHTCFE-ZJUUUORDSA-N 248.286 0.754 30 20 BCED C=C[C@@](C)(O)CC(=O)N(C[C@H](C)O)C1CC1 655372269 NKWCFXPDZAFFQG-JOYOIKCWSA-N 227.304 0.685 30 20 BCED C=CCCOCC(=O)N1CCC[C@@H](N)[C@H]1C 656362651 LUHINMXEFBIPQS-GHMZBOCLSA-N 226.320 0.917 30 20 BCED C=C[C@H](CO)NS(=O)(=O)N(C)[C@@H](C)C1CC1 660100000 LPVNQTSESFDLKS-WCBMZHEXSA-N 248.348 0.098 30 20 BCED COCC#CCN1CC[C@@H](C(=O)N(C)C)C1 665092777 UKHCBQSTFGSZFV-LLVKDONJSA-N 224.304 0.046 30 20 BCED 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CC(C)CC(=O)NCCC(=O)NC[C@@H](C)C#N 172916387 NMABTFGAGILULC-JTQLQIEISA-N 239.319 0.815 30 20 BCED C=CCCCC(=O)N1CCNC(=O)[C@@H]1C 175532215 ODEHSTZGGKPWGP-VIFPVBQESA-N 210.277 0.690 30 20 BCED N#Cc1cnn(C(=O)CC[C@H]2CCOC2)c1N 176061078 PSPDRPWAAOQWSL-QMMMGPOBSA-N 234.259 0.794 30 20 BCED C#CCCCNC(=O)NC[C@@]1(O)CCSC1 176422378 ONXDDSUKBZRLHN-NSHDSACASA-N 242.344 0.567 30 20 BCED C#CCNC(=O)N[C@@H](C)CO[C@@H]1CCOC1 176489754 WTKHWYFCNBTBHI-VHSXEESVSA-N 226.276 0.113 30 20 BCED CC[C@H](CC#N)NC(=O)CCNC(=O)OC 183939895 LRYFYJBBVJWISZ-MRVPVSSYSA-N 227.264 0.541 30 20 BCED N#CCC1(O)CN(C(=O)Cc2ccccc2F)C1 186821650 KWNOAKGYXCDADD-UHFFFAOYSA-N 248.257 0.855 30 20 BCED COCCCN(CCO)c1ccc(C#N)nc1 188435123 SPDBSMISGCJSNW-UHFFFAOYSA-N 235.287 0.788 30 20 BCED C#CCNC(=O)[C@H](C)N[C@H](COCC)C(C)C 189798651 IKPHLINZGZZAJG-NWDGAFQWSA-N 240.347 0.775 30 20 BCED C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCCC(=O)N1 194035430 VRIKVPKKJFUPFD-UWVGGRQHSA-N 237.303 0.806 30 20 BCED C#C[C@@H](CC)NC(=O)c1cnn(C)c1C 233886681 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Cn1cccc1CNC(=O)CSCC#N 266506390 YUFUNRGRVUCSTD-UHFFFAOYSA-N 223.301 0.898 30 20 BCED N#Cc1ccc(NCC(=O)NCC2CC2)nc1 270781417 UAPWGHJBQWADGV-UHFFFAOYSA-N 230.271 0.891 30 20 BCED C#CCCCN1C(=O)N[C@H](C(C)C)C1=O 270883897 GCLFKUWMHMSNFA-SECBINFHSA-N 208.261 0.976 30 20 BCED C=CCNC(=O)CNC(=O)CCCn1cccc1 272008019 YZBSCWZKHRYDPY-UHFFFAOYSA-N 249.314 0.687 30 20 BCED COc1cc(C(=O)N(C)C[C@H](C)C#N)nn1C 274604391 NWAVOLNBYHCJNS-MRVPVSSYSA-N 236.275 0.660 30 20 BCED CCOC(=O)[C@H](NC(=O)CC#N)[C@H](C)CC 274739914 YHZVPQLOLPPQME-PSASIEDQSA-N 226.276 0.994 30 20 BCED C[C@@H]1CCCN(C(=O)C(=O)N(CC#N)CC#N)C1 278084088 XHOQIQYSQZJZSH-SNVBAGLBSA-N 248.286 0.121 30 20 BCED N#Cc1cc(C(=O)N2CC[C@H](O)C2)ccc1F 278904367 PXXPUTRRBUFDPO-JTQLQIEISA-N 234.230 0.904 30 20 BCED C=CCS(=O)(=O)N(C)CCSC 280866714 ZRHKTNZIXNIGSE-UHFFFAOYSA-N 209.336 0.797 30 20 BCED C=CCNC(=O)CN(C)CCCSC 281308452 HWVRNDCWNAAKGQ-UHFFFAOYSA-N 216.350 0.974 30 20 BCED CCN(CC#N)C(=O)COCc1ccnn1C 283252163 BLJWDMCFBBTKPT-UHFFFAOYSA-N 236.275 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N#Cc1ccc(N[C@@H]2CCCC[C@@H]2C(N)=O)nn1 301921982 FYNOVNLQXKFUQV-VHSXEESVSA-N 245.286 0.804 30 20 BCED CC/N=C(\NCC)NC[C@H]1CCCN1C 303256286 HUQYHNRRNJZWIP-SNVBAGLBSA-N 212.341 0.656 30 20 BCED C#CCOCCC(=O)NC[C@@H](C)CCO 305335164 DPUXITCCTKQKEE-JTQLQIEISA-N 213.277 0.161 30 20 BCED C[C@@H](C#N)OCCN(CCCO)C1CC1 308787345 GUVGGVVSWIFSGF-JTQLQIEISA-N 212.293 0.762 30 20 BCED C[C@@H](C#N)S(=O)(=O)N1CC[C@@H](O)C1(C)C 309014490 YWHRWOOVNMKTLI-JGVFFNPUSA-N 232.305 0.073 30 20 BCED CC(C)N(C)C[C@@H](C)NS(=O)(=O)[C@H](C)C#N 309195200 DFPUNHBULZRZQD-NXEZZACHSA-N 247.364 0.547 30 20 BCED Cn1ccc(C(=O)Cn2cc(C#N)cn2)c1 309235643 LNTWDWIAKMQIRI-UHFFFAOYSA-N 214.228 0.976 30 20 BCED C=CC[C@@H](NS(=O)(=O)c1ccco1)C(=O)O 309674462 LFOPZGPWEYJWHF-SSDOTTSWSA-N 245.256 0.587 30 20 BCED N#C[C@H]1CCCN(C[C@@H](O)CN2CCCC2)C1 310486208 GHGJHVHRXLUWSY-OLZOCXBDSA-N 237.347 0.679 30 20 BCED C#CCN(C)CCCNCc1c[nH]nc1C 328206838 VEFPFXMLEZUQKF-UHFFFAOYSA-N 220.320 0.763 30 20 BCED C[C@@H]1COCCN1/C(O)=N/CCC1(O)CCC1 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247.342 0.996 30 20 BCED C#CCNC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C 1754813200 ZULWPLSOBKOSMJ-OCCSQVGLSA-N 244.338 0.717 30 20 BCED CCCC(=O)N[C@]1(CO)CCCN(CC#N)C1 1754851262 IVBKQHMEIWSKBY-GFCCVEGCSA-N 239.319 0.253 30 20 BCED CC#CCNC[C@@H]1CN(C(=O)CCC)CCO1 1754993933 ABENXZWBYQNNEQ-GFCCVEGCSA-N 238.331 0.627 30 20 BCED C=CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(C)=O 1755999291 OSVHKKKKLRJCCK-ZJUUUORDSA-N 242.319 0.561 30 20 BCED C#CCCCC(=O)N[C@H]1C[C@@H](CNC(C)=O)C1 1757306970 LKZBECQBUSBXPG-TXEJJXNPSA-N 236.315 0.821 30 20 BCED O=C(O)CNN=Cc1c(F)ccnc1Cl 1776079447 ZSXKOKGDQBUNDL-UHFFFAOYSA-N 231.614 0.882 30 20 BCED C=C(CO)CN1CC[C@@H](C(=O)O)C1(C)C 1776141918 AGHWZITWLUQEML-VIFPVBQESA-N 213.277 0.720 30 20 BCED C=C[C@H](CCC(=O)O)NCc1ccn(C)n1 1776148938 SINZMMWFWRUWBJ-SECBINFHSA-N 223.276 0.929 30 20 BCED C=C[C@H]1CCCN(C[C@](C)(O)C(=O)O)C1 1776150478 PRBXBFUYPXXKNU-ONGXEEELSA-N 213.277 0.720 30 20 BCED C/C=C/C(=O)N1CCCC12CN(C(=O)CC#N)C2 1845962045 XYOPJRMSIFPAKK-DUXPYHPUSA-N 247.298 0.680 30 20 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COCC1(N(C)C(=O)[C@H](N)CCCC#N)CC1 595255609 GMPGSOBXGCKQOU-SNVBAGLBSA-N 239.319 0.645 30 20 BCED N#CCCCN1C(=O)c2nccnc2C1=O 596022938 UMMXSTIXQFUBMW-UHFFFAOYSA-N 216.200 0.376 30 20 BCED N#Cc1cc(NCc2nc(C3CC3)n[nH]2)ncn1 596250493 RERILGQLJRNQLL-UHFFFAOYSA-N 241.258 0.956 30 20 BCED CO[C@@H]1COCC[C@H]1CNc1cc(C#N)cnn1 596252945 OECCCLIQPPGKFD-WDEREUQCSA-N 248.286 0.812 30 20 BCED CO[C@@H](C)CNC(=O)N1CC[C@@](O)(CC#N)C1 596774306 SAHYEOPSELKYIK-ONGXEEELSA-N 241.291 0.081 30 20 BCED C=C[C@@H](O)C(=O)N[C@](C)(CCC)C(=O)OC 596891839 ZITIUQNBLMVPSD-LDYMZIIASA-N 229.276 0.381 30 20 BCED Cc1ccncc1CC(=O)N1CCO[C@@H](C#N)C1 597166690 GAYNYFIXOZDMDW-LBPRGKRZSA-N 245.282 0.684 30 20 BCED COCC[C@](C)(C#N)NC(=O)c1nccnc1C 598840643 NRURLNQJEZINDV-GFCCVEGCSA-N 248.286 0.834 30 20 BCED N#CCCCCNC(=O)N[C@@H]1CCNC1 599912857 YHLSGJUIVFMHDU-SECBINFHSA-N 210.281 0.341 30 20 BCED CC[C@@H](C#N)C(=O)Nc1cc(OC)n[nH]1 600255217 VULUYAHETYPWHA-LURJTMIESA-N 208.221 0.907 30 20 BCED N#Cc1cccnc1-n1cc(CCCO)nn1 600976677 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CAYNCKFNMMJQRW-YWVKMMECSA-N 213.277 0.153 30 20 BCED C=CCN(CCOC)C(=O)c1cc(O)n(C)n1 613933186 IOVZMNQGUOYYQY-UHFFFAOYSA-N 239.275 0.400 30 20 BCED COc1ccc(CN(C)C(=O)CC#N)cn1 614003683 CWUPXRQLONNIGU-UHFFFAOYSA-N 219.244 0.962 30 20 BCED C=C[C@@H](O)C(=O)N1CC[C@H](O)CC(C)(C)C1 615982081 NGHCPVWXDDBOSE-VHSXEESVSA-N 227.304 0.543 30 20 BCED C=C[C@H](O)C(=O)NCc1nnc(C2CC2)s1 616315594 OVTOGGNTBRGMCX-ZETCQYMHSA-N 239.300 0.579 30 20 BCED C=C[C@H](O)C(=O)N1C[C@H](C)OC2(CCC2)C1 616499352 ZIPGFOHESHFMHI-UWVGGRQHSA-N 225.288 0.703 30 20 BCED C=CCCNC(=O)Cc1cnn(C)c1C 617618443 PJLGWQPIPNEHHX-UHFFFAOYSA-N 207.277 0.963 30 20 BCED Cc1nnc(N2CCC(C#N)CC2)n1C 619735408 WMBDGMDMJJWUDU-UHFFFAOYSA-N 205.265 0.864 30 20 BCED C=C(C)CN(C)C(=O)N[C@H](C)CC(=O)NC 621459270 ABGBBHOBJNGDDN-SECBINFHSA-N 227.308 0.729 30 20 BCED C=C(C)CS(=O)(=O)NCc1nccc(C)n1 625280386 IJJWXALCCYLHON-UHFFFAOYSA-N 241.316 0.781 30 20 BCED C=CCOCCNC(=O)NCCCNC(C)C 637418451 YYKRDIAQXSLHMW-UHFFFAOYSA-N 243.351 0.876 30 20 BCED C=CCOCCn1cc(-c2cncnc2)nn1 641029215 BWHFVSHNZICDAR-UHFFFAOYSA-N 231.259 0.938 30 20 BCED CC#CCNCc1cn(CC(F)F)nn1 641232906 JHNMNSQFRJRNDA-UHFFFAOYSA-N 214.219 0.656 30 20 BCED CC#CC[C@@H](CO)NS(=O)(=O)C[C@H](C)CC 645883232 QIRNUBKSLJUPBE-MNOVXSKESA-N 247.360 0.726 30 20 BCED C=C[C@@H](O)C(=O)N(C[C@@H]1CCOC1)C1CC1 646916236 DHCCODPSZJIEJF-GXSJLCMTSA-N 225.288 0.561 30 20 BCED CC#CC[C@H](CO)NC(=O)c1ccnn1CC 649182755 DIGMAHNKZXFTSG-SNVBAGLBSA-N 235.287 0.407 30 20 BCED CC#CC[C@H](CO)NC(=O)c1cnc(C)nc1C 649184514 MMCSYCVXOYZIPB-LLVKDONJSA-N 247.298 0.598 30 20 BCED C=CCCn1cc(CNCC[C@H](C)O)nn1 657362106 OUISMNVNMYYAAD-JTQLQIEISA-N 224.308 0.715 30 20 BCED C=CCOCCNC(=O)[C@H]1CCN[C@@H]1CC 659383237 SCENVMIERMLKQQ-WDEREUQCSA-N 226.320 0.693 30 20 BCED C[C@@H](N)CNC(=O)NCC#Cc1ccccc1 668994529 QBUFPKJRDZXTHK-LLVKDONJSA-N 231.299 0.685 30 20 BCED COc1cc2c(cc1C(=O)NO)OCO2 671995857 LQLDADXCFGRNAJ-UHFFFAOYSA-N 211.173 0.543 30 20 BCED C=C(C)[C@@H](CC(=O)NCc1nn[nH]n1)OCC 677305912 AIAGVIAJHRGKGV-MRVPVSSYSA-N 239.279 0.187 30 20 BCED CC[C@@H](CCO)NC(=O)[C@H](N)CCCC#N 691594074 IVVUPCPYDWXUSX-VHSXEESVSA-N 227.308 0.285 30 20 BCED Cn1ncc(Cl)c1C(=O)NC1(C#N)CC1 696475158 IZBVGRUNANQMKG-UHFFFAOYSA-N 224.651 0.859 30 20 BCED N#CC1(C(=O)NCc2cnccn2)CCC1 698052671 VEELYRUIGIXSLL-UHFFFAOYSA-N 216.244 0.787 30 20 BCED Cn1cnnc1CN1CCC[C@H](C#N)C1 703273814 MPVTUVYGQNKFHK-SECBINFHSA-N 205.265 0.551 30 20 BCED C#CCNCC(=O)N1CCO[C@@H](CCC)C1 709019082 KCJMXRZQDSFGAM-NSHDSACASA-N 224.304 0.237 30 20 BCED N#CCCC[C@@H](N)C(=O)NCc1nccs1 709485023 ZINHDOPUKDFSNS-MRVPVSSYSA-N 238.316 0.780 30 20 BCED C#CCCCS(=O)(=O)NCC(C)(C)C#N 711135364 ODQUCWJYPNLLLF-UHFFFAOYSA-N 228.317 0.869 30 20 BCED C#CC(=O)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 711641572 SRQPKFOXEVBPIV-KCJUWKMLSA-N 207.229 0.475 30 20 BCED CN1CC[C@H]1CNC(=O)C1(C#N)CCC1 712268002 TVFYCLAOPKWFAL-VIFPVBQESA-N 207.277 0.501 30 20 BCED C#CC[C@H](CO)NC(=O)c1c(CC)noc1C 717733877 SQNYVLDPIFGOKO-SECBINFHSA-N 236.271 0.659 30 20 BCED C[C@@H]1CN(c2nccnc2C#N)C[C@H]1CCN 723894501 LVYURXZEJQWAGF-NXEZZACHSA-N 231.303 0.769 30 20 BCED C#CCCCOC(=O)CNC(=O)C1CC1 727041335 HQBKLUGYKBUQEA-UHFFFAOYSA-N 209.245 0.469 30 20 BCED N#CCNC(=O)COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 731239336 XXVKGDNVDJLDNW-LPEHRKFASA-N 236.271 0.606 30 20 BCED C#CCOC(=O)C1(NC(C)=O)CCCC1 731258294 KQAXXVVYZVNXKY-UHFFFAOYSA-N 209.245 0.612 30 20 BCED CC#CCOC(=O)CNC(=O)c1ccccn1 745075556 ZQLVELRQBHGSKH-UHFFFAOYSA-N 232.239 0.378 30 20 BCED C=CCOCCCC(=O)O[C@@H](CC)C(N)=O 745533351 IZFQMBFPKZAJSV-VIFPVBQESA-N 229.276 0.776 30 20 BCED CCOC(=O)[C@H](C)OC(=O)c1cc(C#N)c[nH]1 748222971 PWTCSBRISPEWKX-ZETCQYMHSA-N 236.227 0.995 30 20 BCED C[C@@H](CO)NN=Cc1ccc(O)cc1O 749817091 YXXVBJSCMFJIKI-ZETCQYMHSA-N 210.233 0.402 30 20 BCED CO[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 750395405 NYBRFJWGGLZSRR-APPZFPTMSA-N 224.260 0.399 30 20 BCED CC[C@H](C#N)OC(=O)c1c[nH]c(C(N)=O)c1 753421762 JWXCXMNNXAPWFL-SSDOTTSWSA-N 221.216 0.573 30 20 BCED C[C@H](CO)NN=C1C(=O)Nc2c(F)cccc21 753960369 POKDUWXDRDSDIS-ZCFIWIBFSA-N 237.234 0.452 30 20 BCED C(=Nn1cnnc1)c1nn[nH]c1-c1ccccc1 755463793 MGGZXUCWPSIRTO-UHFFFAOYSA-N 239.242 0.945 30 20 BCED C#CCOCCC(=O)N(C)CCN(C)C 755944901 CQBBALSNMZOIGV-UHFFFAOYSA-N 212.293 0.046 30 20 BCED N#Cc1cccn(CN2CCCOCC2)c1=O 758202383 HJBFKOKSILHZFE-UHFFFAOYSA-N 233.271 0.400 30 20 BCED Cn1cc(NN=Cc2cccc(C(N)=O)c2)cn1 761868227 YGMGPCLOHVVENR-UHFFFAOYSA-N 243.270 0.965 30 20 BCED C#CCOCCOC(=O)[C@@H]1CCc2c[nH]nc2C1 762712825 ILRLJVMPHDFPKP-SNVBAGLBSA-N 248.282 0.708 30 20 BCED C=C(CN(C)C)C(=O)NCCOCC 764348094 SCYIIWPUYJRCBH-UHFFFAOYSA-N 200.282 0.257 30 20 BCED CON=C(CNS(C)(=O)=O)c1ccccc1 766690963 MKEOPKZZDZHOPB-UHFFFAOYSA-N 242.300 0.586 30 20 BCED C#CCNC(=S)N1CCC[C@@H]1c1nncn1C 767920750 VYXYMNUQUNATSJ-SECBINFHSA-N 249.343 0.460 30 20 BCED C#C[C@@H](CC)NS(=O)(=O)CC[C@@H]1CCCO1 770378356 ATUDOVSXSBIXES-QWRGUYRKSA-N 245.344 0.887 30 20 BCED COc1ccccc1C=Nn1cnnc1O 770622557 WHSFCJPFTVPNSS-UHFFFAOYSA-N 218.216 0.875 30 20 BCED C=CCOCCCC(=O)N[C@H](CO)C1CC1 771057149 HYVVARBMKFFNEU-LLVKDONJSA-N 227.304 0.856 30 20 BCED C#C[C@H](NC(=O)c1cc(C)nn1C)[C@H]1CCCO1 772895340 GCHMUXSOOWIDKP-CMPLNLGQSA-N 247.298 0.639 30 20 BCED N#C[C@@H]1CSCCN1CN1C(=O)[C@H]2C=C[C@H]1C2 774642551 NCSCKWMGGYJDAA-GARJFASQSA-N 249.339 0.672 30 20 BCED N#CCCNC(=O)CN1CCC[C@H]1c1ncc[nH]1 778225452 HBVSONMQSDNTAJ-JTQLQIEISA-N 247.302 0.576 30 20 BCED N#CCNC(=O)COC(=O)C[C@H]1C=CCCC1 778393039 UXZQYVOOJRJBTN-JTQLQIEISA-N 236.271 0.916 30 20 BCED C[C@@H]1CC[C@H]1NCCN/C(O)=C1\N=CC=CC1=O 783252531 SAHLNGBYERXBHP-CMPZMUMBSA-N 249.314 0.901 30 20 BCED O=C1Nc2ccccc2C1=NN[C@H]1CCOC1 788448932 VBZYBXPSVUBXKE-QMMMGPOBSA-N 231.255 0.721 30 20 BCED COc1ncc(C(C)=NNC(=N)N)cc1Cl 788991546 NAEJCTQJHUCOCL-UHFFFAOYSA-N 241.682 0.951 30 20 BCED CON=C1CCCc2nc(O)c(C(N)=O)cc21 788992396 YWSQBCQJWLYTJC-UHFFFAOYSA-N 235.243 0.573 30 20 BCED N#CC1(CNC(=O)C2=COCCO2)CC1 797780065 QYZHDCZYGSMIOB-UHFFFAOYSA-N 208.217 0.295 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@H](C)CCCOC 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308838307 MGPWRPVCXDFBCF-ZCFIWIBFSA-N 208.265 0.615 30 20 BCED C[C@H](C#N)OCCn1cc([N+](=O)[O-])cn1 308840983 YTBKDKUEDSNQNJ-SSDOTTSWSA-N 210.193 0.720 30 20 BCED C[C@@H](C#N)CNc1nc(N)c2cn[nH]c2n1 309312317 XLSMLGTUUOZEDP-YFKPBYRVSA-N 217.236 0.507 30 20 BCED CC[C@H](NN=Cc1cnn(C)c1C)C(=O)O 309728022 DPHAVFFDBCCFII-VIFPVBQESA-N 224.264 0.515 30 20 BCED Cn1nncc1/C(O)=N/[C@@]1(C)CCOC1 328651689 JRTGWMMATDHZNI-VIFPVBQESA-N 210.237 0.299 30 20 BCED O/C(=N/CCn1ncnn1)[C@H]1CCCOC1 328718314 FSCSPASGRGPAAW-QMMMGPOBSA-N 225.252 0.056 30 20 BCED Cn1c(C(=O)N[C@@H](C#N)C2CC2)cccc1=O 328872003 QJYVDQBUPDEHEE-VIFPVBQESA-N 231.255 0.417 30 20 BCED CN1C[C@H](/N=C(/O)CCc2cnc[nH]2)CC1=O 329424589 IFGKBWHOBZIQST-SECBINFHSA-N 236.275 0.530 30 20 BCED CC(=O)N1CC(/C(O)=N/[C@H]2CN=C(O)C2)C1 329913514 BWFMQLNHGASSFD-MRVPVSSYSA-N 225.248 0.150 30 20 BCED O=C1CCC[C@@H]1C/N=C(/O)Cn1cnnc1O 330088047 NSQQBYBBKCMGAO-SSDOTTSWSA-N 238.247 0.309 30 20 BCED Cc1noc(CN(C)CC/N=C(/O)N(C)C)n1 330626478 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0.910 30 20 BCED C[C@@H]1CN(C(=O)c2ccc(C#N)o2)C[C@H]1CO 335825345 IXJTYLRDIONJAH-BDAKNGLRSA-N 234.255 0.852 30 20 BCED CC1CC(NC(=O)N2CCO[C@@H](C#N)C2)C1 336075226 FTCVEHHVNQFVBV-RTBKNWGFSA-N 223.276 0.719 30 20 BCED Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1C#N 336141785 SCTTYOYJLWXRIJ-DTWKUNHWSA-N 230.271 1.574 30 20 BCED N#C[C@@H]1CC[C@@H](N[C@@H]2CCC(=O)NC2)C1 336733948 MSWCIGOOOOZMSC-OPRDCNLKSA-N 207.277 0.547 30 20 BCED N#Cc1nc(NC(=O)c2cnc[nH]2)[nH]c1C#N 338029222 OXLOHHGYYXPQRM-UHFFFAOYSA-N 227.187 0.128 30 20 BCED C=CCOCC(=O)NC[C@@H](C)CCO 340550867 MWWSPKUHEHEMST-VIFPVBQESA-N 201.266 0.324 30 20 BCED C=CCCS(=O)(=O)N1C[C@@H](O)[C@H](CC)C1 340600647 NJBOMFUMXVYTNU-NXEZZACHSA-N 233.333 0.595 30 20 BCED COC(=O)[C@H](CS[C@@H](C)C#N)NC(C)=O 340710009 XVERBGDCOKLKND-XPUUQOCRSA-N 230.289 0.309 30 20 BCED CCCOCC(=O)N=c1cc[nH]cc1C#N 344410054 UREKMMXZNCKAAF-UHFFFAOYSA-N 219.244 0.740 30 20 BCED C=CC[C@H](CO)CNC(=O)C1(C(=O)OC)CC1 344491973 YNHDPGDFAFSYNC-VIFPVBQESA-N 241.287 0.240 30 20 BCED CC(C)(C#N)CNC(=O)NCC(=O)NC1CC1 349844240 CDKYGCDQBBAJAU-UHFFFAOYSA-N 238.291 0.114 30 20 BCED C=CCNC(=O)CN1CC[C@H](COC(F)F)C1 353017008 AZORTWYWCGXIFS-VIFPVBQESA-N 248.273 0.850 30 20 BCED CNC(=O)C1(C(=O)N(C)CC(C)(C)C#N)CC1 353209491 WEMDASOLSWPQCC-UHFFFAOYSA-N 237.303 0.521 30 20 BCED C=CC[C@@H](C)NC(=O)c1cnc(C(=O)OC)cn1 355189995 KAROGUFOYYEMRT-MRVPVSSYSA-N 249.270 0.958 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@H]1CCn2ccnc2C1 355915010 CZZUXDQKAFRDPF-GWCFXTLKSA-N 249.314 0.641 30 20 BCED C[C@H]1OCC[C@H]1C(=O)N(CC#N)CC#N 356037202 AFDPBZAPSJMJQZ-RKDXNWHRSA-N 207.233 0.287 30 20 BCED C=CCOCC(=O)NCCCN(C)C 356523592 UTUWHBFXCAWVGK-UHFFFAOYSA-N 200.282 0.257 30 20 BCED C=C[C@H](CO)NC(=O)c1cc(C)n(C)n1 356875456 QVYLIUBEEMISDG-MRVPVSSYSA-N 209.249 0.005 30 20 BCED N#C[C@@]1(NC(=O)c2cc(C3CC3)on2)CCOC1 358451259 VCSGVQNURCFFPR-LBPRGKRZSA-N 247.254 0.964 30 20 BCED C=C[C@@H](CO)NC(=O)NC[C@@H]1CCCS1 358881606 KFJACMJVEQITER-IUCAKERBSA-N 230.333 0.728 30 20 BCED CNC(=O)CNC(=O)[C@@H](C)c1cccc(C#N)c1 359856180 KGSSSXFBBMCLKR-VIFPVBQESA-N 245.282 0.524 30 20 BCED COCCOC[C@@H](C)NC(=O)CCCC#N 360276599 JVENAZVQYDWJRB-SNVBAGLBSA-N 228.292 0.848 30 20 BCED C=CCOCC(=O)N1CC(=O)Nc2cnccc21 362628898 XLQQWVYZJBRNGO-UHFFFAOYSA-N 247.254 0.569 30 20 BCED CN(CCC#N)S(=O)(=O)N(C)[C@H]1CC1(C)C 362983298 SPUAEQSFQIIRGO-VIFPVBQESA-N 245.348 0.807 30 20 BCED COC(=O)c1cn([C@@H]2CCN(CCC#N)C2)nn1 375201453 MAWOQQMDQAJJGC-SECBINFHSA-N 249.274 0.225 30 20 BCED C#CCNC(=O)N1CCC[C@@H](c2nccn2C)C1 376423992 DREQWBWAXYMUEH-LLVKDONJSA-N 246.314 0.942 30 20 BCED C#CCCN[C@@H](C1CC1)[C@@]1(CO)CCCO1 378732010 LIGAILJPUPETGE-STQMWFEESA-N 223.316 0.919 30 20 BCED C[C@@H](C#N)OCCSc1ncnn1C 379505710 UXFZNIBBPPAWGL-ZETCQYMHSA-N 212.278 0.836 30 20 BCED C#C[C@@](C)(CC)NC(=O)c1cc(OC)n(C)n1 384238710 ZXSKBVBYOVVTDR-LBPRGKRZSA-N 235.287 0.960 30 20 BCED C#CCNC(=O)CN(C)[C@H](C)C1(C)CC1 385301440 MQELTWCKLUHJMA-SNVBAGLBSA-N 208.305 0.856 30 20 BCED C[C@H](C#N)S(=O)(=O)N(CC(F)F)C1CC1 387262820 LAYHZCMHTSARGZ-ZCFIWIBFSA-N 238.259 0.958 30 20 BCED C[C@H](CC(N)=O)Nc1cncc(C#N)n1 401346146 VAFXTTKVVYFULK-ZCFIWIBFSA-N 205.221 0.024 30 20 BCED CC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 408109700 ZQNZHHBDTFLRSW-JTQLQIEISA-N 245.286 0.689 30 20 BCED C=C[C@](C)(O)CC(=O)N1CC[C@H](C)[C@@H](O)C1 408223920 VOMANQBJPKCNJU-NHCYSSNCSA-N 227.304 0.543 30 20 BCED C[C@@H](C#N)NC(=O)[C@@H](C)C(=O)OC(C)(C)C 413256728 MMAYWUCOZRLVDY-JGVFFNPUSA-N 226.276 0.992 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)CN 418248817 IWUPBDLJEGCYRW-AEJSXWLSSA-N 227.308 0.224 30 20 BCED C[C@@H](CN)CNC(=O)NCC(C)(C)CC#N 418290729 LMAWLQKTNDWCGU-VIFPVBQESA-N 226.324 0.820 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)NCC(F)(F)CN)C1 424457669 ALYZXSOHHFEVLK-JGVFFNPUSA-N 246.261 0.572 30 20 BCED C=CCCn1cc(C(=O)N(C)[C@@H](C)C#N)nn1 425600345 CDQVHHZIUWWKDF-VIFPVBQESA-N 233.275 0.838 30 20 BCED C=CCN(CCCNC)[C@H]1CCS(=O)(=O)C1 435881680 WBZWRVIVSLAIBF-NSHDSACASA-N 246.376 0.271 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCO1 448559174 YFVIABOMEADSPJ-AXFHLTTASA-N 225.288 0.873 30 20 BCED C=CC(C)(C)C(=O)N[C@@H](CO)[C@H]1CCCO1 451521097 CTHFKJSNIMVACZ-VHSXEESVSA-N 227.304 0.855 30 20 BCED C=C(C)CCNS(=O)(=O)NCC(F)(F)F 451800909 FTKZFBKIELVZQO-UHFFFAOYSA-N 246.254 0.939 30 20 BCED C=C(C)CCNS(=O)(=O)c1cn(C)c(C)n1 451802179 LAACKMYWTMRTRC-UHFFFAOYSA-N 243.332 0.973 30 20 BCED C=C[C@](C)(O)CC(=O)N(C)CC(C)(C)CO 452928421 MSJGBZXILIGNDH-LBPRGKRZSA-N 229.320 0.790 30 20 BCED C=C[C@@H](CO)NC(=O)N[C@H]1CCC[C@H]1F 458890136 RZRBLRYCFUDOBV-YIZRAAEISA-N 216.256 0.723 30 20 BCED CC[C@H](O)CNC(=O)NCC(C)(C)CC#N 459232827 IGQKVRWNTZHURF-VIFPVBQESA-N 227.308 0.996 30 20 BCED Cc1nc(N2CCN(C)C(=O)[C@@H]2C)ccc1C#N 487734717 XHCNECAZFORUEM-JTQLQIEISA-N 244.298 0.929 30 20 BCED C#CCN(CC#CC)S(=O)(=O)CCCOC 490687551 CEMDWDSGDFKFJH-UHFFFAOYSA-N 243.328 0.311 30 20 BCED C#CCN(CC#N)C(=O)[C@@H]1[C@@H](C)C1(F)F 490962540 OMNRHDYJPJRKFB-SFYZADRCSA-N 212.199 0.873 30 20 BCED C#C[C@@H](CC)NC(=O)Cc1cncn1C 491542667 BPJDOBUIKAOFJL-VIFPVBQESA-N 205.261 0.491 30 20 BCED C#C[C@@H](CC)NC(=O)N1CCO[C@@H](COC)C1 491565716 BQIWSBOMCNHTOA-WDEREUQCSA-N 240.303 0.455 30 20 BCED C#CCN(CC#N)C[C@H](O)COc1ccccc1 491661464 KVKKBXGZPOUPPF-ZDUSSCGKSA-N 244.294 0.885 30 20 BCED C#C[C@H](C)N(C)C(=O)N[C@H](C)C(=O)N(C)C 491710699 YWJVQPZPXCIPPT-DTWKUNHWSA-N 225.292 0.126 30 20 BCED C#CCN(C)C(=O)NC[C@@H]1CCC=CO1 491767676 JFZJVMKBQLJFKG-JTQLQIEISA-N 208.261 0.954 30 20 BCED C#CCN(CC)C(=O)C(=O)Nc1cnn(C)c1C 491788173 XCRKWLPAHUTSAD-UHFFFAOYSA-N 248.286 0.149 30 20 BCED C[C@@H](CCC#N)N1CCN2C(=O)OC[C@H]2C1 496691030 MKCORKFZUXLFSY-VHSXEESVSA-N 223.276 0.815 30 20 BCED C=CCN(CCOC)C[C@H]1CN(C)C(=O)O1 496859342 RZRFOIMIQNJYAR-SNVBAGLBSA-N 228.292 0.571 30 20 BCED CNC(=O)[C@@H](C)CN(C)[C@@H](C)CCC#N 514864644 JHBADHGSXZCWQQ-UWVGGRQHSA-N 211.309 0.993 30 20 BCED N#Cc1nc(=N[C@H](CO)CC(F)(F)F)cc[nH]1 563735135 XQBVHXJRLUMVPJ-LURJTMIESA-N 246.192 0.495 30 20 BCED COC[C@H](O)CNCCc1cccc(C#N)c1 568502313 PPHIVULITQLFMN-CYBMUJFWSA-N 234.299 0.698 30 20 BCED C=CCN1CCN(CC=C)[C@H](CCO)C1 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C=CCS(=O)(=O)NC(=O)[C@@H](CCC)OCC 860630944 JDHMDXJTWISWGG-SECBINFHSA-N 249.332 0.824 30 20 BCED C=CCNC(=S)N1CCO[C@@H](COCC)C1 863224978 HCUAMLRNPVSNHK-SNVBAGLBSA-N 244.360 0.784 30 20 BCED N#Cc1c[nH]nc1NC(=O)/C=C/[C@@H]1CCOC1 868906497 MAACFIVIEBDRGC-FHKCNRDCSA-N 232.243 0.813 30 20 BCED C#CC(C)(C)NC(=O)Nc1ccn(C)c(=O)c1 879777400 AYWPZYCTAGCQPG-UHFFFAOYSA-N 233.271 0.919 30 20 BCED N#Cc1ccc(C(=O)N2CCC[C@@H](CN)C2)[nH]1 884016942 IDQCMXGZZVRSDP-VIFPVBQESA-N 232.287 0.697 30 20 BCED C#CCN1CCC[C@@H](Nc2cc(C#N)cnn2)C1 884610949 ZEJSZWIGFBHVAO-GFCCVEGCSA-N 241.298 0.858 30 20 BCED C#CCN1CCC[C@@H](NCc2cnnn2C)C1 886211516 QRKFLZJPAGYNDM-LLVKDONJSA-N 233.319 0.002 30 20 BCED CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2C[C@@H]2C1 886327936 VWMWQKUXUFBAFF-WZRBSPASSA-N 235.331 0.993 30 20 BCED C[C@H](CC#N)NC(=O)Nc1ncccn1 888692945 OPXNGEVJTKJGLL-SSDOTTSWSA-N 205.221 0.900 30 20 BCED C#CC1(O)CN(C(=O)[C@H](CC)N(CC)CC)C1 890523534 RPCQBQHILXORBH-NSHDSACASA-N 238.331 0.313 30 20 BCED C#CC1(O)CN(C(=O)C2(SC)CCC2)C1 890525192 NNFQHUYMTVTCLX-UHFFFAOYSA-N 225.313 0.479 30 20 BCED CCC#CCOC(=O)c1ccnc2c1nnn2C 893840313 NCLCAJOOKDZEOF-UHFFFAOYSA-N 244.254 0.934 30 20 BCED C#CC1(O)CN(c2cccc(C#N)c2[N+](=O)[O-])C1 897343467 SUJJNCQWTHQQCU-UHFFFAOYSA-N 243.222 0.651 30 20 BCED C=CCCCC(=O)N1CCN(c2nc[nH]n2)CC1 898325076 YIGZFGJWJAWZKA-UHFFFAOYSA-N 249.318 0.810 30 20 BCED Cc1cc(C#N)nc(N2CCOC[C@H]2C(=O)O)c1 900946682 RWEARPCXTITOLO-JTQLQIEISA-N 247.254 0.552 30 20 BCED C[C@@H]1CC(=NN[C@@H]2CCCC[C@H]2O)c2ncnn21 901335080 SCLKTKTXAGMNMV-FXPVBKGRSA-N 249.318 0.840 30 20 BCED Cc1cc(C(=O)/C=C\c2cnn(C)n2)nn1C 901554762 DKSGYBAYFFNBFP-PLNGDYQASA-N 231.259 0.753 30 20 BCED C[C@](C#N)(NC(=O)COc1cncnc1)C1CC1 901706860 SNPRLJDBZAWICK-GFCCVEGCSA-N 246.270 0.664 30 20 BCED CCn1nnc(C)c1/C=C\C(=O)c1cnn(C)n1 905078874 YBSIQHAWYZMJHZ-WAYWQWQTSA-N 246.274 0.631 30 20 BCED C#C[C@@H](NC(=O)Cc1cnc[nH]1)[C@@H]1CCCO1 907489298 XXPVGDGXRVBFFL-MNOVXSKESA-N 233.271 0.249 30 20 BCED C=CCN(CCOC)C(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 907697577 AYHSGAGXWPUHDC-MVWJERBFSA-N 237.299 0.873 30 20 BCED C#C[C@@H](CC)NC(=O)[C@H]1CCCC(=O)N1C 907719150 WJVPSXXTTATBKK-VHSXEESVSA-N 222.288 0.525 30 20 BCED COC(=O)CC(=O)N(C)CC(C)(C)C#N 908401598 VCASAJSSWZUCSO-UHFFFAOYSA-N 212.249 0.558 30 20 BCED C#CCCCC(=O)N[C@@H](COCC=C)C(=O)O 909771875 SPXTVBLYASSOQB-JTQLQIEISA-N 239.271 0.562 30 20 BCED C=C[C@](C)(CC)C(=O)NC[C@@](C)(O)C(=O)O 911469950 MALVBDWRNWLNKY-GHMZBOCLSA-N 229.276 0.541 30 20 BCED CC[C@H](SC)C(=O)NCC#CCN(C)C 913519817 PSISEJSUKIBALF-JTQLQIEISA-N 228.361 0.809 30 20 BCED CN(C)CC#CCNC(=O)c1cc(O)cs1 913522582 PRFZKYPVRVNFBB-UHFFFAOYSA-N 238.312 0.749 30 20 BCED CN1C[C@@H](C(=O)OCCCC#N)CC1=O 914922201 UIVPRPMHOVKPMI-QMMMGPOBSA-N 210.233 0.312 30 20 BCED C#CCC[C@H](O)CNC(=O)O[C@H]1CCOC1 915217237 FRLPYKQEXBHEPW-UWVGGRQHSA-N 227.260 0.276 30 20 BCED CC(C)(C#N)CS(=O)(=O)N1CC=CC1 916286107 AUHKUUWQZWIGMF-UHFFFAOYSA-N 214.290 0.738 30 20 BCED C[C@@H](C#N)OC(=O)CS(=O)(=O)C1CCCC1 919277539 QEOCEIOMJYJYQM-QMMMGPOBSA-N 245.300 0.799 30 20 BCED C=C(CC)CN1C(=O)N[C@H](CN(C)C)C1=O 924918120 QAKMHPAOJUZKQV-SECBINFHSA-N 225.292 0.435 30 20 BCED CSC1CC(NCCn2cnc(C#N)n2)C1 926409226 GQNAJKLEHXGQHL-UHFFFAOYSA-N 237.332 0.633 30 20 BCED CN1CC[C@H](C(=O)N2CCC[C@H](C#N)C2)C1=O 928219049 NMWDPJSEAQZYKQ-ZJUUUORDSA-N 235.287 0.227 30 20 BCED CCOCCOCCN1CCO[C@H](C#N)C1 929586545 MAPXGBBVAZVSJJ-LLVKDONJSA-N 228.292 0.264 30 20 BCED CC(C)(C)NC(=O)[C@@H]1CCCN1CC#N 932440997 SGZTULKTLGWFSW-VIFPVBQESA-N 209.293 0.889 30 20 BCED C#CCC[C@@H](O)CNC(=O)/C=C/c1cn(C)cn1 935806646 BGNYAVADRLDAKX-NNNHXZLVSA-N 247.298 0.324 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2ccoc2)C1 966966865 JABNKGSUMLPCKV-LLVKDONJSA-N 218.256 0.717 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2ccnnc2C)C1 969212202 XHPGKLGQBXYTKA-LLVKDONJSA-N 244.298 0.222 30 20 BCED C#CCCN1C[C@@H](NC(C)=O)C(C)(C)C1 972722220 SJIXYVYYADRMLK-LLVKDONJSA-N 208.305 0.856 30 20 BCED Cc1n[nH]cc1C(=O)N1CCCN(CC#N)CC1 981724133 UGHTVCNODRPGQE-UHFFFAOYSA-N 247.302 0.390 30 20 BCED C#CCN[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)O)C1 988743837 NWOCFZDJBPASNK-WDEREUQCSA-N 238.331 0.360 30 20 BCED C#CCN[C@@H]1C[C@H](C)N(C(=O)c2oncc2C)C1 989631943 NQZYQXILMOGZOD-WDEREUQCSA-N 247.298 0.809 30 20 BCED C=CCN[C@@H]1C[C@H](C)N(C(=O)Cc2nc[nH]n2)C1 989658290 VSUIQPFPPOKCNG-VHSXEESVSA-N 249.318 0.112 30 20 BCED N#CCN1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 1010623951 DHEJWPIKQYZMEG-GHMZBOCLSA-N 237.303 0.270 30 20 BCED C=CCN1CC(NC(=O)c2cccn2C)C1 1030108681 LVGDZIMJRRDYBO-UHFFFAOYSA-N 219.288 0.625 30 20 BCED CC#CCN1CC(NC(=O)[C@H]2C[C@H]3C=C[C@H]2O3)C1 1030549775 XLBCOBJNJRFNFU-FRRDWIJNSA-N 246.310 0.154 30 20 BCED CCc1ncoc1C(=O)NC1CN(CC#N)C1 1030927649 NESCYCONVMXDNJ-UHFFFAOYSA-N 234.259 0.175 30 20 BCED CC(C)(F)C(=O)N1C[C@@H]2C[C@H]1CN2CC#N 1032243379 YVXSLUXMHYDPOQ-IUCAKERBSA-N 225.267 0.543 30 20 BCED C#CCN1CCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 1035533372 OCXDSNGYSPXRGA-NEPJUHHUSA-N 248.326 0.237 30 20 BCED CC#CCN1CC[C@H]1CNC(=O)c1ccc[nH]1 1038048706 NIICKVZPZDDYCR-NSHDSACASA-N 231.299 0.842 30 20 BCED C#CCN[C@@H]1CN(C(=O)CCC)C[C@@H]1C 1054325257 YMEOTFOGPNBGCF-WDEREUQCSA-N 208.305 0.856 30 20 BCED C=CCN1C[C@H](O)[C@H](NC(=O)c2cccnc2)C1 1083308488 DMCFWEWWVZSXEM-NEPJUHHUSA-N 247.298 0.043 30 20 BCED Cc1cc(C(=O)NC[C@H]2C[C@@H](NCC#N)C2)on1 1086024389 QITUPICVJLHXID-AOOOYVTPSA-N 248.286 0.605 30 20 BCED C[C@@H](C#N)C(=O)NCCNc1nccnc1F 1093529467 ZQROAIVABRNAMZ-ZETCQYMHSA-N 237.238 0.303 30 20 BCED CC(C)(F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N 1095097618 VOSJEKCWJAQAIZ-UTLUCORTSA-N 239.294 0.980 30 20 BCED CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N 1110340118 CCPLBOPJKOATOY-DBIOUOCHSA-N 237.303 0.266 30 20 BCED C=CCCCC(=O)N1CCN(CCCO)CC1 1113283444 KVBIXBNVYIOLEN-UHFFFAOYSA-N 240.347 0.869 30 20 BCED C=CCN1C[C@H]2[C@H](NC(=O)[C@@H](C)SC)[C@H]2C1 1113913075 GXWCJNZSAXLXQK-ZNSHCXBVSA-N 240.372 0.970 30 20 BCED C=CCN1C[C@H]2C(NC(=O)[C@H](C)OC)[C@@H]2C1 1113950075 CJWVOBOEISJDEA-IVZWLZJFSA-N 224.304 0.254 30 20 BCED C=CC[C@@H]1NC(=O)N(CCCn2ccnc2)C1=O 1116770436 QBBDMIAZMROGCC-JTQLQIEISA-N 248.286 0.770 30 20 BCED C#CCNC(=O)CN1CC[C@](CO)(C(C)C)C1 1117673535 RSVMEPPPHNHQTM-ZDUSSCGKSA-N 238.331 0.076 30 20 BCED CN(CCNS(C)(=O)=O)[C@@H]1CC[C@H](C#N)C1 1117705360 SVULUDJGGHETQD-VHSXEESVSA-N 245.348 0.160 30 20 BCED N#CC[C@]1(O)CCN(C(=O)c2ccncc2F)C1 1118280293 UHDMMKFNPWZKKW-LBPRGKRZSA-N 249.245 0.711 30 20 BCED C[C@@](C#N)(NC(=O)Cn1ccnc1CN)C1CC1 1118918827 NUCWWGLOMRKUMS-LBPRGKRZSA-N 247.302 0.150 30 20 BCED C[C@@H](C(=O)NCC#CCN(C)C)n1ccnc1 1119661972 AFJHPTNXAONDGF-NSHDSACASA-N 234.303 0.125 30 20 BCED CCN(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 1120471601 OXJQUAZHQMMUDG-VIFPVBQESA-N 223.276 0.227 30 20 BCED C=CCCC[C@H](N)C(=O)N1CCN[C@@H](C)[C@H]1C 1122017787 WIKDRYHNSHYPQG-TUAOUCFPSA-N 239.363 0.879 30 20 BCED C#CCN(C)c1nnc(CC2CC(O)C2)n1CC 1122033463 WLFOQXIOTUNLSC-UHFFFAOYSA-N 248.330 0.681 30 20 BCED CC#CCNCCNC(=O)[C@@H](C)OCC(C)C 1124350979 QVXYVWFWQLTHKR-GFCCVEGCSA-N 240.347 0.777 30 20 BCED N#Cc1ccc(NC(=O)Cn2ncnn2)cc1 1124406150 IUPOOYFHYFUGEQ-UHFFFAOYSA-N 228.215 0.183 30 20 BCED C=C(C)CNCCNC(=O)Cc1cnn(C)c1 1124613763 SCNGRISMIMXJHZ-UHFFFAOYSA-N 236.319 0.245 30 20 BCED CC#CCNCCNC(=O)C1=COCCC1 1124675598 YACVSAFJGZLLPF-UHFFFAOYSA-N 222.288 0.410 30 20 BCED C=C[C@@H](C)[C@@H](C)C(=O)NCCNCCO 1132577735 ZPHUHQWJMWMKES-NXEZZACHSA-N 214.309 0.143 30 20 BCED C=CCNCCNC(=O)CN1CCC[C@@H]1C 1133831001 FYSCUZLCELSQHL-NSHDSACASA-N 225.336 0.363 30 20 BCED C#CCNCCNC(=O)c1cnn(C(F)F)c1 1135790807 PWFRUVZZHJDHAK-UHFFFAOYSA-N 242.229 0.231 30 20 BCED CC(C)(CC#N)CNC(=O)[C@@H]1CCNC(=O)C1 1141962283 ORBRKJFZSUQODD-SECBINFHSA-N 237.303 0.569 30 20 BCED CON1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 1162167994 ZGSVQCIXBBJYQN-UHFFFAOYSA-N 248.286 0.642 30 20 BCED CCC1(C(=O)NCCCNCC#N)CC1 1165966659 HLSLKEBIFXRYJR-UHFFFAOYSA-N 209.293 0.796 30 20 BCED C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCO 1231293417 NAZDBJMHXNVKJS-MNOVXSKESA-N 239.319 0.061 30 20 BCED C=C(C)CN(C)C(=O)C(=O)NC1CC(F)(F)C1 1261758951 QLNZDPJWVOUYDJ-UHFFFAOYSA-N 246.257 0.935 30 20 BCED C#CCN(C)c1nnnn1C[C@H]1CCO[C@H](C)C1 1262424808 ZJMXMYYLNSHBBF-MNOVXSKESA-N 249.318 0.558 30 20 BCED CCn1cc(C=Nn2c(C)nnc2C)nn1 1262478928 JLVFLVPYVJNXCF-UHFFFAOYSA-N 219.252 0.389 30 20 BCED CC(C)(C)C#CC(=O)NC(C)(C)CNC(N)=O 1262650913 QZTBPFBYBWHPEK-UHFFFAOYSA-N 239.319 0.599 30 20 BCED C=CCN(C(=O)N[C@H]1CCOC1=O)C(C)C 1263745996 YHYOCEARTZZVKS-VIFPVBQESA-N 226.276 0.908 30 20 BCED N#CC1CCN(C(=O)CCc2nc[nH]n2)CC1 1292325464 HEYIAQWTPGXKJO-UHFFFAOYSA-N 233.275 0.499 30 20 BCED C[C@H](C#N)CNC(=O)CCCCCNC(N)=O 1318973439 ISLVEWULDDKYHU-SECBINFHSA-N 240.307 0.491 30 20 BCED N#CC1CCN(C(=O)C(=O)NC2CC2)CC1 1322902374 DXWKKOSDNPXJCZ-UHFFFAOYSA-N 221.260 0.027 30 20 BCED C=C[C@@H](COC)NC(=O)N(C)CC(C)(C)CO 1324682548 NAUPPTOWGAGFBD-JTQLQIEISA-N 244.335 0.847 30 20 BCED C=C[C@@H](COC)NC(=O)NCCN1CCC1 1325634298 IUKFGOGDZATIGJ-JTQLQIEISA-N 227.308 0.192 30 20 BCED C=C(CC)CNC(=O)C(=O)N1CCCC1 1326392085 VSEKLJDFIKWEPX-UHFFFAOYSA-N 210.277 0.691 30 20 BCED COc1ccc(C(=O)N2CC(O)(CC#N)C2)o1 1327648498 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C=CCOC(=O)c1cc([N+](=O)[O-])cnc1N 309527142 CCCARFQUVNGCJV-UHFFFAOYSA-N 223.188 0.915 30 20 BCED N#Cc1ccnc(N[C@@H]2COC[C@H]2O)c1Cl 309547628 DVHYOGYIEONPBM-HTQZYQBOSA-N 239.662 0.778 30 20 BCED Cn1ccc(NN=Cc2cnc(N)nc2)n1 309618769 ONRWTTGXKCKZPT-UHFFFAOYSA-N 217.236 0.238 30 20 BCED C=C[C@H](N[C@@H](C)c1nnc(C)o1)C(=O)OC 309959945 KNKBINCVAXOAKZ-XPUUQOCRSA-N 225.248 0.756 30 20 BCED CCC[C@@H]1NC(=O)N(CCO[C@H](C)C#N)C1=O 310222048 LNVRWFLQGAPTAH-BDAKNGLRSA-N 239.275 0.636 30 20 BCED C=CCC[C@H](CO)NCc1cn(C)nn1 321183984 ZZDSLOPANYBAIX-SECBINFHSA-N 210.281 0.232 30 20 BCED OC1=NCCN(/C(O)=N/CCc2cnccn2)C1 329383746 OSTNSDJPOUFLQZ-UHFFFAOYSA-N 249.274 0.205 30 20 BCED N#C[C@@H]1CN(C(=O)CCn2cccn2)CCO1 330364680 UNIYAZBWMQSOHQ-SNVBAGLBSA-N 234.259 0.024 30 20 BCED CN(C(=O)CNc1ccc(C#N)cn1)C1CCC1 331949423 ZHJDVGQIZGWKMO-UHFFFAOYSA-N 244.298 1.376 30 20 BCED CC[C@H](C(=O)N[C@@H](C#N)C(C)C)N(C)C 332446511 FORXVWZOUPYESR-VHSXEESVSA-N 211.309 0.991 30 20 BCED CN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCNC1=O 332676471 ROQSIYOTQSURTP-OPRDCNLKSA-N 207.277 0.499 30 20 BCED C[C@H]1C[C@@]1(C#N)C(=O)N1CC(OC(F)F)C1 334809325 GAOCYIILSASQES-WKEGUHRASA-N 230.214 0.986 30 20 BCED N#Cc1ccc(C(=O)N2CCC[C@@H](O)C2)o1 335593547 AACHQIJGGZOLCC-MRVPVSSYSA-N 220.228 0.748 30 20 BCED CC1CCN(C(=O)C(=O)NC2(C#N)CCC2)CC1 335805145 CCUHJZNCCIMCEK-UHFFFAOYSA-N 249.314 0.807 30 20 BCED C[C@@H](C#N)C(=O)N1CCN[C@@H](c2cccnc2)C1 337572778 DOANVCREPOMYFQ-CMPLNLGQSA-N 244.298 0.714 30 20 BCED C=CCOCCN(C)CCN1CCOCC1 338965096 GRPQBBFONYIULL-UHFFFAOYSA-N 228.336 0.453 30 20 BCED C=CCNC(=O)CN[C@@H](C1CC1)C(C)(C)CO 339730905 LNDWQJFXVTZSIB-LBPRGKRZSA-N 240.347 0.675 30 20 BCED CC[C@@H](C#N)NC(=O)[C@@H]1CCCC(=O)N1 340139186 RNSZTKASASJQTD-YUMQZZPRSA-N 209.249 0.073 30 20 BCED CC(C)[C@]1(C)C[C@@H]1C(=O)NCC(=O)NCC#N 344180616 QLIREUYMBSYKTB-SKDRFNHKSA-N 237.303 0.425 30 20 BCED CC#CCNC(=O)N[C@@H]1C[C@@H]1C(F)F 345553127 WGVFFUBJPYKYQP-NKWVEPMBSA-N 202.204 0.963 30 20 BCED C=CCN(C)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 346312159 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Cc1ncccc1C(=O)N[C@@]1(C#N)CCOC1 361928518 VRQSIPDXORPNEL-GFCCVEGCSA-N 231.255 0.803 30 20 BCED CN(CC#N)C(=O)c1cnc2[nH]c(O)nc2c1 362698876 RDNNCVZRLPSQFR-UHFFFAOYSA-N 231.215 0.259 30 20 BCED C[C@@H]1CN(C(=O)CC#N)C[C@]2(CCO[C@@H]2C)O1 366196992 YIQMOKAZFXJENW-FOGDFJRCSA-N 238.287 0.695 30 20 BCED C=C[C@H](N[C@@H](C)c1cnn(C)c1)C(=O)O 379811415 AIUNMSLWUWBIRY-CBAPKCEASA-N 209.249 0.710 30 20 BCED CC/N=C(/NCC)NCC1([S@](C)=O)CC1 380114489 KFKFTGGIHIFZCN-HNNXBMFYSA-N 231.365 0.473 30 20 BCED C#CCNC(=O)[C@H](C)N[C@@H](C)[C@H](OC)C1CC1 388266871 FRJAMIBPCZVLKL-NHCYSSNCSA-N 238.331 0.527 30 20 BCED Nc1cnnc(NN=Cc2cc[nH]n2)c1Cl 390243832 INZBLKYMUQBGAM-UHFFFAOYSA-N 237.654 0.881 30 20 BCED C[C@H]1CN(c2cc(C#N)ncn2)CCCO1 390675649 VHKBFAMQZDYPAU-VIFPVBQESA-N 218.260 0.963 30 20 BCED CCN1C[C@@H](Nc2ccc(C#N)nc2)CC1=O 391640042 QHSLIWHASSWNQO-NSHDSACASA-N 230.271 0.986 30 20 BCED C[C@H](C(=O)NC(N)=O)N1CCC[C@H](CC#N)C1 397585037 AGQURWZGASWHDL-RKDXNWHRSA-N 238.291 0.195 30 20 BCED C=CCCC(=O)NC[C@H](ON)C(C)C 398678026 IFWHBPJZTIYISF-VIFPVBQESA-N 200.282 0.984 30 20 BCED CC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O 400068740 FUZWSKKPMIPKJB-PSASIEDQSA-N 218.260 0.555 30 20 BCED C#CCNC(=O)CN1C[C@@H](CC)OC[C@H]1CC 404023237 FRTXIHNRXLHLMK-VXGBXAGGSA-N 238.331 0.625 30 20 BCED C=CCNC(=O)CN[C@H]1C[C@H](N)C1(C)C 405410252 TXYHGTYMHAAFFY-IUCAKERBSA-N 211.309 0.004 30 20 BCED COC[C@H]1CN(C(=O)NCCC#N)C[C@H](C)O1 408365566 JVYZRKHDCKABHX-VHSXEESVSA-N 241.291 0.345 30 20 BCED C=C(C)CCNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21 418236331 BIGUVOHICHSANS-MYJAWHEDSA-N 209.293 0.470 30 20 BCED CC1(C)C[C@]1(C#N)NC(=O)Cn1cccnc1=O 427881198 YFMHPJXGKRDXHX-GFCCVEGCSA-N 246.270 0.052 30 20 BCED CCN(CCCSCC#N)[C@@H]1CCNC1=O 440971247 XXBKFXGYURILKK-SNVBAGLBSA-N 241.360 0.844 30 20 BCED CC(C)(OCC(=O)NCC#N)C(F)(F)F 447440246 MGCDZYYCMURUFT-UHFFFAOYSA-N 224.182 0.984 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@H](O)C1 450392595 OOJHPTRPBGTHJF-QCNOEVLYSA-N 239.315 0.807 30 20 BCED C=CCCN(C)C[C@@H](C)S(C)(=O)=O 450823336 VBUHOQBARNZELI-SECBINFHSA-N 205.323 0.927 30 20 BCED N#C[C@]1(NC(=O)c2cccc(CO)c2)CCOC1 487077736 XJRQWEIHWUXCEV-CYBMUJFWSA-N 246.266 0.591 30 20 BCED C#CCNS(=O)(=O)Cc1ccc(Cl)nc1 490593982 INYGDCPRUWBIPX-UHFFFAOYSA-N 244.703 0.788 30 20 BCED C#CCN(CC)S(=O)(=O)[C@@H](C)CCOC 490951451 YDRYDNKDQBWYPM-JTQLQIEISA-N 233.333 0.696 30 20 BCED C#CCNC(=O)CCN1C[C@@H](C)OC(C)(C)C1 491068985 SOECWJXRVBKLEO-LLVKDONJSA-N 238.331 0.625 30 20 BCED C#C[C@@H](CC)NC(=O)Nc1ccnn1C 491146972 PRPTWAQVJHSIEV-QMMMGPOBSA-N 206.249 0.953 30 20 BCED C#C[C@H](C)N(C)C(=O)c1ccoc1CC(N)=O 491181492 TVZZQMJRCHWGJX-QMMMGPOBSA-N 234.255 0.401 30 20 BCED C#CCN(C)C(=O)[C@@H](C)NC(=O)C1CCCC1 491543785 IJHPXJWKYSFVIT-SNVBAGLBSA-N 236.315 0.773 30 20 BCED C#CCNS(=O)(=O)CCC1CCOCC1 491554253 HMLWTHYFQIFIIP-UHFFFAOYSA-N 231.317 0.356 30 20 BCED C#CCNC(=O)CCN1CCN(C)C[C@@H]1CC 491623941 IQYOJOVRSBAAHZ-LBPRGKRZSA-N 237.347 0.152 30 20 BCED C#C[C@H](CC)NC(=O)c1c(C)nc(N)nc1C 491678765 CHTMICZHBSURER-SECBINFHSA-N 232.287 0.817 30 20 BCED C#C[C@H](C)N(C)S(=O)(=O)CCOC(C)C 491774335 UDEIMODWKDQTLQ-JTQLQIEISA-N 233.333 0.695 30 20 BCED C#C[C@H](C)N(C)CCN1C(=O)CCC1=O 491783399 QZVKZFFZYZODEE-VIFPVBQESA-N 208.261 0.089 30 20 BCED C#C[C@@H](CC)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 491800682 APAHZZKODCOVJL-UWVGGRQHSA-N 249.314 0.461 30 20 BCED CC1(C#N)CN(CC[C@@H]2CCNC2=O)C1 520423687 HCCQFNZZUSUDFB-VIFPVBQESA-N 207.277 0.358 30 20 BCED Cc1nnc(CNC(=O)c2c[nH]c(C#N)c2)s1 542814915 CZYBNBABNZCDBN-UHFFFAOYSA-N 247.283 0.976 30 20 BCED CCC[C@@H](C#N)NC(=O)c1cnc2[nH]nnc2c1 543551098 IZJRXDJUBYLTTK-QMMMGPOBSA-N 244.258 0.775 30 20 BCED N#Cc1ccc(NC[C@H]2CCCCO2)nc1N 563420630 JSMNJDPXWBJWNK-SNVBAGLBSA-N 232.287 1.516 30 20 BCED C[C@](C#N)(NC(=O)CO)C1CCCCC1 564288167 ZWNZUCSJTNBWLA-LLVKDONJSA-N 210.277 0.957 30 20 BCED C[C@H](N)C[C@H](C)NC(=O)N1CCO[C@@H](C#N)C1 565652659 ALMNRBLZARPWEA-GUBZILKMSA-N 240.307 0.046 30 20 BCED CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C#N)C1 568167730 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20 BCED N#CC[C@]1(O)CCN(C(=O)[C@H]2CCCOC2)C1 592841993 XZEJEYWALBOAQB-JQWIXIFHSA-N 238.287 0.290 30 20 BCED CC[C@H](C#N)C(=O)NCCN1CC[C@@H](C)C1 593499462 SFOGGTCMQFLWPG-GHMZBOCLSA-N 223.320 0.994 30 20 BCED CCNC(=O)C(C)(C)CNC(=O)[C@H](C#N)CC 593542682 KTYCHDKVPGVENI-VIFPVBQESA-N 239.319 0.815 30 20 BCED CC[C@H](C#N)C(=O)NCCN1CCCOCC1 593638715 GRXOAHIVLRJKNL-LLVKDONJSA-N 239.319 0.375 30 20 BCED N#CC1(C(=O)N2CCO[C@@H](CN)C2)CCCC1 593905099 LSFNIKBPHYLPDN-JTQLQIEISA-N 237.303 0.256 30 20 BCED CCN([C@H](C)C#N)S(=O)(=O)C[C@@H]1CCCO1 595359092 ZQHXDNPRVZAEKK-ZJUUUORDSA-N 246.332 0.729 30 20 BCED C=CCN(CC(=O)NCC#N)[C@H](C)COC 595644968 DAGYBXYBJKUEMM-SNVBAGLBSA-N 225.292 0.149 30 20 BCED Cc1cc(CO)cc(N2CCO[C@@H](C#N)C2)n1 596116084 HVXPKLVAJXPKHO-NSHDSACASA-N 233.271 0.611 30 20 BCED N#Cc1cc(N[C@H]2CC[C@@H](C(N)=O)C2)ncn1 596261885 YOBHKGQDEKGOLM-SFYZADRCSA-N 231.259 0.414 30 20 BCED Cc1nc(CC(=O)N[C@@H](C#N)CC(C)C)n[nH]1 597075977 NHKBIOODDCLHMO-SECBINFHSA-N 235.291 0.710 30 20 BCED CCCn1nccc1C(=O)N1CCO[C@@H](C#N)C1 597169485 VBNCUALEYOXKKP-JTQLQIEISA-N 248.286 0.658 30 20 BCED N#CCCCNC(=O)[C@H]1CCCc2nn[nH]c21 597491086 FUWCZKQBLAOBEC-QMMMGPOBSA-N 233.275 0.645 30 20 BCED C[C@@H]1C[C@@H](O)CN(C[C@H](O)CC(C)(C)C#N)C1 598620885 PBKAPJUUYRMWTF-IJLUTSLNSA-N 240.347 0.990 30 20 BCED N#CCC1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 601421256 DHAQVPGCDCZEIM-LLVKDONJSA-N 249.314 0.665 30 20 BCED N#CCN1CCC(NCc2ccon2)CC1 602003928 UPMYVDQHZNYEEG-UHFFFAOYSA-N 220.276 0.752 30 20 BCED CN(C)CC1(C(=O)NCCCC#N)CC1 602131108 PWYRGWHCYBWNGI-UHFFFAOYSA-N 209.293 0.748 30 20 BCED CCC(=O)N[C@@H](C)C(=O)N[C@@](C)(C#N)CC 604544309 OBZVCGHTUGCWDB-GZMMTYOYSA-N 225.292 0.710 30 20 BCED CCC[C@H](C#N)NC(=O)[C@@H]1CCN(C)C(=O)C1 608816398 FQKRGGJYMYFEDF-NXEZZACHSA-N 237.303 0.663 30 20 BCED CC(C)[C@@H](C#N)N1CCN(CCCO)CC1 609486750 QCRJHGIVJSRKCT-GFCCVEGCSA-N 225.336 0.535 30 20 BCED C=CCCOCC(=O)N[C@H](C)C[S@](C)=O 612286854 BSOWWFKQMJSGLY-PSLIRLAXSA-N 233.333 0.462 30 20 BCED COC[C@@](C)(O)C(=O)N1CCC[C@](C)(C#N)C1 612366429 QRYSXGHVHZEVDJ-VXGBXAGGSA-N 240.303 0.536 30 20 BCED CC#CCNC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 613123063 TUKTXJXIMMIGGE-TUAOUCFPSA-N 248.326 0.821 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](c1ncon1)C(C)C 614046018 IGNPKDNFMDADNL-JGVFFNPUSA-N 225.248 0.430 30 20 BCED C=C[C@H](O)C(=O)N1CCC(c2c[nH]nc2C)CC1 614591264 IGGKLVFFYXUHMT-LBPRGKRZSA-N 249.314 0.971 30 20 BCED C=C[C@@](C)(O)C(=O)NCc1cnc2n1CCCC2 614604749 YLVKGHWVFDMEFX-CYBMUJFWSA-N 249.314 0.773 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@@H](C)c1ccnc(O)c1 615349089 YHHYVGKAEKBKKP-QPUJVOFHSA-N 236.271 0.901 30 20 BCED C=C[C@@H](O)C(=O)N[C@H](CC)C(C)(C)O 615371631 WVTDVOHMZBQUEP-HTQZYQBOSA-N 201.266 0.199 30 20 BCED C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1 615587181 BFEKCHODJPLJOJ-NGZCFLSTSA-N 226.251 0.876 30 20 BCED C[C@@H](c1nnnn1C)N1CCC[C@](C)(C#N)C1 615798605 GXCGYPGQMWHCHJ-GXSJLCMTSA-N 234.307 0.897 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@](C)(O)C=C 616100189 IWPPPIJKIAEYCO-MWLCHTKSSA-N 213.277 0.367 30 20 BCED C/C=C\C[C@H](CO)NC(=O)NCC1(C#N)CC1 619534509 XGRPTCISVIMVGZ-MXQLGCADSA-N 237.303 0.916 30 20 BCED C=C[C@@H](C(=O)OC)N(CC)Cc1cnn(C)c1 619717198 JNHKBDJHPOPDAN-NSHDSACASA-N 237.303 0.970 30 20 BCED CC#CCCNS(=O)(=O)c1conc1C 632188460 PXSWLSXSNCHJMO-UHFFFAOYSA-N 228.273 0.675 30 20 BCED CC#CC[C@@H](CO)NC(=O)NCC1CC1 645144865 PFIROGJJLWTFSN-JTQLQIEISA-N 210.277 0.470 30 20 BCED C=C[C@H](O)C(=O)N[C@H]1CCOC(C)(C)C1 646959716 DPYLBVAJWVZYRU-IUCAKERBSA-N 213.277 0.607 30 20 BCED CC#CC[C@H](CO)NC(=O)[C@H]1CC[C@H](CC)O1 649185622 HZAWPEPBIQVPHV-GRYCIOLGSA-N 239.315 0.835 30 20 BCED C=CCN1CC[C@H](N[C@H]2C[C@@H](O)C2(C)C)C1=O 653742263 WJAVPENBLUCQSG-GARJFASQSA-N 238.331 0.522 30 20 BCED C=CCOCCNC(=O)N1CC[C@H](F)C1 655783695 GMKZJFFBUJNTEM-VIFPVBQESA-N 216.256 0.942 30 20 BCED C=CCCNC(=O)NC[C@@]1(COC)CCCN1 659543177 SYOQZNOVFDZOQX-GFCCVEGCSA-N 241.335 0.630 30 20 BCED C=CCN(C(=O)NC/C=C\CN)[C@@H](C)COC 659544666 VWAGDHBHJRSEGL-GZTOBOFZSA-N 241.335 0.734 30 20 BCED C=CCOCCNC(=O)NC[C@H](C)OC 661006787 ATWPGLGHUXIVFC-VIFPVBQESA-N 216.281 0.523 30 20 BCED C=CC[C@@H]1CCCN(C(=O)COCCN)C1 662635585 MJOYGTWGDALDLN-LLVKDONJSA-N 226.320 0.776 30 20 BCED C=CC1CCN(c2cc(=O)n(C)c(=O)n2C)CC1 663586787 UOHFEZLRRJRCSD-UHFFFAOYSA-N 249.314 0.486 30 20 BCED C#CC(=O)N(C)C[C@@H]1COc2ccccc2O1 692868443 WYXSEZSUGNFMJZ-SNVBAGLBSA-N 231.251 0.918 30 20 BCED C=C[C@H](C(=O)OC)N(C)[C@@H]1CCC[C@H]1O 708767140 OCXHHIQEZXJEHJ-OPRDCNLKSA-N 213.277 0.559 30 20 BCED C#CCCCS(=O)(=O)N[C@@H](C#C)CC 710399060 MUGPZJAWJHHLJV-JTQLQIEISA-N 213.302 0.731 30 20 BCED C#CCCS(=O)(=O)NC[C@H](C)C1CC1 711011699 YWPPRIKDNLIWKW-VIFPVBQESA-N 215.318 0.975 30 20 BCED C#CCCCS(=O)(=O)NCCC[C@@H](C)O 711049943 XDLNGWOSMDAYOA-SNVBAGLBSA-N 233.333 0.480 30 20 BCED C#CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 717733813 RHJARGAJPISBHH-ZETCQYMHSA-N 237.215 0.037 30 20 BCED C#CC[C@@H](CO)NCc1ccc(CO)o1 717788538 UNMAOTSZYTUFJS-VIFPVBQESA-N 209.245 0.246 30 20 BCED C=CCC1(O)CN(C(=O)c2cncc(F)c2)C1 720860499 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C#CCNC(=S)N[C@@H](C)CO[C@@H]1CCOC1 758246509 LMIXXUBYSQCXHP-VHSXEESVSA-N 242.344 0.278 30 20 BCED C=C(C)COC(=O)[C@@H](C)NS(C)(=O)=O 758476447 HURVVCVUISFGBW-SSDOTTSWSA-N 221.278 0.043 30 20 BCED Cn1c(C(=O)OCC#N)ccc1[N+](=O)[O-] 761050967 UDWVFFGAEMZUFU-UHFFFAOYSA-N 209.161 0.614 30 20 BCED C#CCOCCOC(=O)c1ncoc1C 762724886 JGYSKFPPPZYYPG-UHFFFAOYSA-N 209.201 0.790 30 20 BCED N#Cc1c[nH]c(C(=O)OCC(=O)[C@@H]2CCOC2)c1 762903181 ZZQWMWCYOQNINF-SECBINFHSA-N 248.238 0.649 30 20 BCED C#CCN1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 763981024 BYHNQAVKTXZZPG-GXTWGEPZSA-N 248.326 0.190 30 20 BCED CCN(C[C@H](C)C#N)[C@H]1CCC(=O)NC1=O 765966183 USIDCHGTMAWPER-BDAKNGLRSA-N 223.276 0.273 30 20 BCED C=CCNC(=O)[C@H](C)OC(=O)[C@@](C)(O)C(C)C 770556485 HTMYJPHBTGDMIF-CABZTGNLSA-N 243.303 0.627 30 20 BCED C#C[C@H](NC(=O)c1cccc[n+]1[O-])[C@@H]1CCCO1 772884270 VNWZNLDXJNVFDR-JQWIXIFHSA-N 246.266 0.231 30 20 BCED CON=CC(=O)NCC1(N(C)C)CCCC1 773817476 YEFQWVZQGFNEGV-UHFFFAOYSA-N 227.308 0.609 30 20 BCED N#CC1(C(=O)OCc2nc(O)n[nH]2)CCC1 774962903 VFLMSRCKVOLHPK-UHFFFAOYSA-N 222.204 0.247 30 20 BCED C#C[C@@H](NC(=O)CC(=O)OCC)[C@@H]1CCCO1 775328162 ZAWAIOHCNIZEEQ-ZJUUUORDSA-N 239.271 0.237 30 20 BCED C#CCNC(=O)CN1CCC[C@H]1c1ncc[nH]1 778226718 QZZIYGOMHMNPDV-JTQLQIEISA-N 232.287 0.296 30 20 BCED C=CCCC(=O)COC(=O)CNC(=O)OCC 785665344 KUQGPYAIMROGAE-UHFFFAOYSA-N 243.259 0.811 30 20 BCED C#CCNC(=S)NC[C@H]1CC[C@@H](O)C1 788680200 LKHPAGPDLGIMSE-DTWKUNHWSA-N 212.318 0.245 30 20 BCED C=C(CO)C(=O)N(C)CC1(O)CCCC1 791392780 RXAGEYPFNOAMSM-UHFFFAOYSA-N 213.277 0.298 30 20 BCED C#CCC[C@H](O)CNC(=O)C1=COCC1 799085801 XFHZYKLPVKNPMX-JTQLQIEISA-N 209.245 0.181 30 20 BCED CC(=NNCCCO)c1cc(C)n(C)n1 799879997 YCPRQJPJCMWNPC-UHFFFAOYSA-N 210.281 0.425 30 20 BCED CNC(=O)[C@@H](C#N)C(=O)c1coc(C2CC2)n1 802044449 PSZUAYXPBLUIKQ-ZETCQYMHSA-N 233.227 0.620 30 20 BCED CC[S@@](=O)CC(=O)OCCO[C@H](C)C#N 803475697 VVYNXYKKAJHMAZ-ANRSDYALSA-N 233.289 0.227 30 20 BCED C[C@H](C#N)CNC(=O)COCc1ccccn1 806963145 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20 BCED CC#CC(=O)N1CCN(C2CCC2)CC1 283090825 FKOFYHDADUDXJG-UHFFFAOYSA-N 206.289 0.706 30 20 BCED CC#CC(=O)N1CCCC[C@@H]1CNC(N)=O 283470591 YHNXBHNCSDZXLH-SECBINFHSA-N 223.276 0.059 30 20 BCED CN1CCN/C1=N\C[C@@H](CO)c1ccccc1 285247663 YWHMFPYTVBUTCD-LBPRGKRZSA-N 233.315 0.654 30 20 BCED C#CCN(CC#N)C(=O)C[C@@H](C)CC(=O)OC 288729402 GMSBRMCHJOLQJP-SNVBAGLBSA-N 236.271 0.561 30 20 BCED C=CCCS(=O)(=O)N1CCn2cncc2C1 289512854 KWYGTLLJRRQITL-UHFFFAOYSA-N 241.316 0.605 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 290531938 PZIXMJWLTPNDNI-SVDPJWKOSA-N 225.288 0.750 30 20 BCED N#CCCCC(=O)NC1(C(N)=O)CCCCC1 291584860 WRQFBZAXHDPXMG-UHFFFAOYSA-N 237.303 0.985 30 20 BCED C=C[C@@H](CO)NC(=O)[C@@H](O)c1ccccc1 292839334 XGKNIFNKKDDYNC-QWRGUYRKSA-N 221.256 0.383 30 20 BCED C=CCCCS(=O)(=O)NCCC(=O)N(C)C 293053502 QVWAISXKUPIOMS-UHFFFAOYSA-N 248.348 0.350 30 20 BCED C#CCO[C@@H](C)C(=O)N(CCOC)CCOC 294214994 JOIHOFQFYBSTGW-NSHDSACASA-N 243.303 0.146 30 20 BCED C#CCO[C@@H](C)C(=O)N1CCSC[C@H]1C 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249.318 0.897 30 20 BCED CC[C@H](C#N)NC(=O)[C@H](c1cncn1C)N(C)C 330625494 TWTINVOXLXNACS-KOLCDFICSA-N 249.318 0.441 30 20 BCED COC(=O)CN1CCN(CCCC#N)CC1 330711575 YAHVXDMCKARQGU-UHFFFAOYSA-N 225.292 0.081 30 20 BCED C=C[C@@](C)(O)CC(=O)Nc1ncn(C)n1 330731450 KREVWWYZFVXOCW-SECBINFHSA-N 210.237 0.081 30 20 BCED COCc1nc(C(=O)N[C@H](C)CC#N)no1 331072908 FMNPVZPLBLAXAR-ZCFIWIBFSA-N 224.220 0.248 30 20 BCED C[C@H](O)CN(CC1(C#N)CC1)[C@@H](C)CO 331789263 USTCQNVMIPVYBJ-UWVGGRQHSA-N 212.293 0.354 30 20 BCED C[C@@H](C#N)NC(=O)[C@H](C)NC(=O)C(C)(C)C 332431233 AYALWNXABCKZPR-YUMQZZPRSA-N 225.292 0.565 30 20 BCED CC(C)[C@H](C)C(=O)N1CC(O)(CC#N)C1 334354428 ZJASGEFBZWBILR-VIFPVBQESA-N 210.277 0.765 30 20 BCED CC#CCN1CCC[C@@H](S(C)(=O)=O)CC1 334387986 QAGOUVYXKGSDGH-LLVKDONJSA-N 229.345 0.909 30 20 BCED Cn1c(C#N)ccc1C(=O)N[C@@H]1CCCC[C@H]1O 335571901 KOHUIWDPYDJYRN-ZYHUDNBSSA-N 247.298 0.930 30 20 BCED CC#CCN1CCS(=O)(=O)CC1(C)C 336121740 ZKDXNYJEHGARDO-UHFFFAOYSA-N 215.318 0.519 30 20 BCED C[C@H]1C(=O)NCCCN1CC1(C#N)CCC1 336272817 BRSUVZIRLJOJDX-JTQLQIEISA-N 221.304 0.891 30 20 BCED C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCCOC1 336500027 XBDHFFFOBIJVFV-NXEZZACHSA-N 225.292 0.966 30 20 BCED CC#CCN1C[C@H](SC)[C@@H](N(C)C)C1 336673758 QBUMGLFHNJUXMP-QWRGUYRKSA-N 212.362 0.987 30 20 BCED N#C[C@@H]1CC[C@H](N[C@@H]2CCC(=O)NC2)C1 336733933 MSWCIGOOOOZMSC-KXUCPTDWSA-N 207.277 0.547 30 20 BCED CC#CCCNC(=O)C(=O)Nc1noc(C)c1C 340319380 NCHHFBSRKWVZSZ-UHFFFAOYSA-N 249.270 0.760 30 20 BCED CC[C@](C)(C#N)C(=O)N(C)[C@H]1COC[C@@H]1O 342432432 KHAAPMZOOJXFOZ-ATZCPNFKSA-N 226.276 0.144 30 20 BCED C=CCOCC(=O)N1CCC[C@H]1C(C)(C)O 344775505 VSOAUDDPUJZVSL-JTQLQIEISA-N 227.304 0.951 30 20 BCED CC#CCCNC(=O)c1cc(C(=O)OC)n(C)c1 345845051 YNELTKVUDYQPGV-UHFFFAOYSA-N 248.282 0.955 30 20 BCED C=CCOC[C@@H]1NC(=O)N(CCC#CC)C1=O 348614228 FAICKBJJKVSIBY-JTQLQIEISA-N 236.271 0.523 30 20 BCED C=CCCN(C)C(=O)[C@H]1C[C@@H](C)CC(=O)N1 349318160 GJXTYOKNLGWERJ-NXEZZACHSA-N 224.304 0.936 30 20 BCED CNS(=O)(=O)NCc1cc(C#N)ccc1F 352116982 CECIUUUJENEUHS-UHFFFAOYSA-N 243.263 0.251 30 20 BCED COC(=O)[C@H](C)NC(=O)c1ccc(C#N)s1 352239101 ZGBUSSJVKXARAA-LURJTMIESA-N 238.268 0.911 30 20 BCED C[C@@H]1CN(c2ccc(C#N)cn2)CC[S@@]1=O 352255522 GXUXFVFGXNNKKG-ABKXIKBNSA-N 235.312 0.910 30 20 BCED CC#CCNC(=O)NCCc1ccn(C)n1 354839894 BTCOAFKKJHDNMB-UHFFFAOYSA-N 220.276 0.285 30 20 BCED C[C@H](CC#N)NC(=O)c1cnn2cccnc12 356427385 RFNQADPNHKDISY-MRVPVSSYSA-N 229.243 0.761 30 20 BCED Cn1nnnc1CSc1cc(C#N)ccn1 356762708 BLQSLQOKVYEGNL-UHFFFAOYSA-N 232.272 0.769 30 20 BCED Cc1cc(C(=O)N[C@@]2(C#N)CCOC2)cc(O)n1 358451543 RPKSXDPCACCSPK-GFCCVEGCSA-N 247.254 0.508 30 20 BCED C[C@@H](CCCO)NC(=O)c1cnccc1C#N 359032009 ZUGRTMCONGUKEH-VIFPVBQESA-N 233.271 0.844 30 20 BCED CCNC(=O)[C@H](C#N)c1ccc([N+](=O)[O-])cn1 359915217 CVRHQXVSTRZOLY-MRVPVSSYSA-N 234.215 0.733 30 20 BCED C=CC[C@H](CO)CNC(=O)NCCC(C)(C)O 361778234 DDTLVZAKDQOIAA-JTQLQIEISA-N 244.335 0.631 30 20 BCED C=CCNC(=O)N[C@@H](C)COCCOC 361872211 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30 20 BCED C[C@H]1CN(c2cncc(C#N)n2)[C@H](C)CO1 401348853 WLDIFZICOMEEIK-BDAKNGLRSA-N 218.260 0.962 30 20 BCED C=C[C@](C)(O)CC(=O)N1CC[C@H](C)[C@H](O)C1 408223922 VOMANQBJPKCNJU-UMNHJUIQSA-N 227.304 0.543 30 20 BCED CCC[C@H](O)[C@@H](CO)Nc1ncccc1C#N 413498301 UNJASXICVHQMRK-MNOVXSKESA-N 235.287 0.887 30 20 BCED CC#CCNC(=O)NC[C@H](C)CCOC 413634084 GGUGGTGCEDNVJF-SNVBAGLBSA-N 212.293 0.982 30 20 BCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCNC1 424062866 WGVWTVNYROHHLB-TUAOUCFPSA-N 238.331 0.836 30 20 BCED N#CCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 427645693 FFJJPJHWRLTAJL-MRVPVSSYSA-N 218.260 0.544 30 20 BCED N#CCCNC(=O)C(=O)Nc1ccc(F)cc1 427903363 KJUOWQNNDYFPAY-UHFFFAOYSA-N 235.218 0.794 30 20 BCED CCOCCS(=O)(=O)N(C)CC(C)(C)C#N 432256572 HATOYSDVEFMUPJ-UHFFFAOYSA-N 248.348 0.834 30 20 BCED CCc1nc(NC(=O)[C@]2(C#N)C[C@@H]2C)n[nH]1 450136207 NPJDFPOQKDINQX-WKEGUHRASA-N 219.248 0.855 30 20 BCED CC#CCN(C)C(=O)NCC(=O)N1CCCC1 457593511 NEGATTCFYLVLQC-UHFFFAOYSA-N 237.303 0.274 30 20 BCED C#CCN(CC)[C@@H](C)C(=O)NC1(C#N)CCC1 490739409 IDSZETOIBAMGPV-NSHDSACASA-N 233.315 0.892 30 20 BCED C#CCN(C)C(=O)c1ccnc(-n2cccn2)c1 491315193 LMDWTHIZOLHKKF-UHFFFAOYSA-N 240.266 0.973 30 20 BCED C#CCN(CC)C(=O)NCCNCCC 491337594 BJBNPQGKIHOQIJ-UHFFFAOYSA-N 211.309 0.651 30 20 BCED C#C[C@@H](C)N(C)S(=O)(=O)N(C)CC1CC1 491665518 SESZPFWWAZDTED-SECBINFHSA-N 230.333 0.527 30 20 BCED C#C[C@@H](C)N(C)C(=O)c1cccn2c(O)nnc12 491666071 LPUQUSCQTUYBCG-MRVPVSSYSA-N 244.254 0.529 30 20 BCED C#C[C@@H](C)N(C)C(=O)[C@H](C)n1cncn1 491705987 WATVERQVDMFRJN-BDAKNGLRSA-N 206.249 0.319 30 20 BCED C#C[C@@H](CC)NC(=O)CNC(=O)C(C)(C)C 491774812 CSPCFDUXOVTWQB-VIFPVBQESA-N 224.304 0.677 30 20 BCED C#CCNC(=O)CCN[C@@H](C)CSC 491781811 OEZRYKUVBLTLGH-VIFPVBQESA-N 214.334 0.467 30 20 BCED C#C[C@H](C)N(C)C(=O)c1nccn2ccnc12 491787866 WGMDJVFJFVVBGJ-VIFPVBQESA-N 228.255 0.823 30 20 BCED COC(=O)N[C@@H](C)C(=O)O[C@@H]1CC[C@H](C#N)C1 494589016 GPJURZKJTREQFC-XHNCKOQMSA-N 240.259 0.966 30 20 BCED 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C=C[C@@H](C)NC(=O)NCCCC(=O)OC 362370753 MVABTAQRMCSDCJ-MRVPVSSYSA-N 214.265 0.813 30 20 BCED C#CCNC(=O)CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 379881581 BKTKIDCYZGSJQC-WUHRBBMRSA-N 232.327 0.714 30 20 BCED C#C[C@@H](CCC)NC[C@@H](O)CN(C)C1CC1 381034131 DWLMIFNNMLJLIN-WCQYABFASA-N 224.348 0.833 30 20 BCED C=CCC(C)(C)CNC(=O)COCC(=O)O 381813127 FBZAHMZQIICROT-UHFFFAOYSA-N 229.276 0.806 30 20 BCED CCn1ccnc1CN=c1cc[nH]c(C#N)n1 385286546 CCLZKMOGUCMTMA-UHFFFAOYSA-N 228.259 0.599 30 20 BCED C[C@H](C#N)OCCN1CC[C@@H](CO)[C@H]1C 385877620 KLAVCTRQGZIUMG-MXWKQRLJSA-N 212.293 0.618 30 20 BCED C=CCS(=O)(=O)CCNCC[C@H]1CCOC1 390355257 QGJOUSGIGMVDJT-NSHDSACASA-N 247.360 0.603 30 20 BCED C#C[C@H](N=c1cc(C#N)cn[nH]1)C(C)C 397047684 QKOGLGBTFJKEDF-JTQLQIEISA-N 200.245 0.840 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@@H]1CC[C@H]1C(=O)O 397064305 SJKSLAOZDBVJEF-OPRDCNLKSA-N 241.287 0.541 30 20 BCED C[C@H]1CC[C@H](CN=c2nc[nH]cc2C#N)O1 397901356 BLNBIOFQIQLUMD-WCBMZHEXSA-N 218.260 0.750 30 20 BCED Cc1cc(=NC[C@@H](O)C(F)F)c(C#N)c[nH]1 398973845 XTYBTIKDNHROOP-SECBINFHSA-N 227.214 0.722 30 20 BCED CCn1cc(CNc2cncc(C#N)n2)nn1 404475910 WWAKZBWNBAMTRD-UHFFFAOYSA-N 229.247 0.572 30 20 BCED Cc1onc(CC(=O)N2CCC[C@@H](O)C2)c1C#N 408150131 KYDOBHMJYYITQC-SECBINFHSA-N 249.270 0.381 30 20 BCED CCC[C@@H](O)[C@@H](CO)NC(=O)CC(C)(C)C#N 412537702 LDXGAGKRHFNMAT-NXEZZACHSA-N 242.319 0.564 30 20 BCED C=CC[C@@H](CC)NC(=O)C(=O)NCCNCC 419134793 JMDDVQUKEFFJBL-SNVBAGLBSA-N 241.335 0.183 30 20 BCED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](N)C1CC1 424155017 NBBGQLASMSLFCA-UTUOFQBUSA-N 238.331 0.821 30 20 BCED CC[C@H](C#N)NC(=O)[C@@H]1CCC[C@H](O)C1 439458010 CUCTZPSCDQFTFH-BBBLOLIVSA-N 210.277 0.956 30 20 BCED C=CCOCC(=O)N1CCC[C@@]1(CC)CO 440085610 BIUAYNGQPLXSAP-LBPRGKRZSA-N 227.304 0.953 30 20 BCED C=C[C@@](C)(CC)C(=O)NC[C@](C)(O)C(=O)OC 442932127 XCBJCVFXIKJRNT-RYUDHWBXSA-N 243.303 0.629 30 20 BCED C=C[C@@H]1OCC[C@H]1N[C@H](C)CN1CCOCC1 451604803 BTDOBGIDYCRRAL-UPJWGTAASA-N 240.347 0.640 30 20 BCED C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)NCCC 451907887 VMVTVLKKNBZEBN-ZJUUUORDSA-N 248.348 0.554 30 20 BCED C=C(CC)CNC(=O)NCC(=O)N(C)C 454198978 VPOJOQAADYMXAW-UHFFFAOYSA-N 213.281 0.340 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)NCCOCC 454310915 FSFKYQDLGSWGLV-ZJUUUORDSA-N 228.292 0.666 30 20 BCED C=CCC[C@H](CO)NC(=O)c1cc(C#N)c[nH]1 454334909 FJWBWDRQYPEDAH-SNVBAGLBSA-N 233.271 0.943 30 20 BCED COCCN(CC#N)CCOCC(F)F 459536706 QTLATZPADLBZFD-UHFFFAOYSA-N 222.235 0.740 30 20 BCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(F)n1 491338366 HZJVXEAMTJOUJS-MRVPVSSYSA-N 249.245 0.639 30 20 BCED C#C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)C(C)C 491664180 FGEJCAYMASHPCF-SECBINFHSA-N 248.286 0.133 30 20 BCED C#CCNC(=O)CCN1CCOC(C)(C)C1 491734996 TZAHZBGMDWYUDL-UHFFFAOYSA-N 224.304 0.237 30 20 BCED CC#CCCNC(=O)[C@H]1NC(=O)O[C@@H]1C 496263150 JSLSDNYGKPSEAW-SFYZADRCSA-N 210.233 0.013 30 20 BCED C[C@H]1CN(CCNC(=O)C(C)(C)C#N)CCO1 523440095 FQRIFYATWSQURU-JTQLQIEISA-N 239.319 0.373 30 20 BCED C[C@@H](C(=O)NC1(C#N)CC1)N1CCSCC1 553053283 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30 20 BCED CN(C)C(=O)[C@H]1CCN(c2ccc(C#N)cn2)C1 591825699 NEZWMQFJFOYROL-NSHDSACASA-N 244.298 0.868 30 20 BCED CC(C)(C)[C@@H](O)CN1CC[C@@](O)(CC#N)C1 592155052 WYINTNOMPRFEDR-JQWIXIFHSA-N 226.320 0.744 30 20 BCED CCN1C[C@H](CNc2nccnc2C#N)CC1=O 593499475 SOHIRKRYRHNPMH-VIFPVBQESA-N 245.286 0.629 30 20 BCED CC[C@@H](C#N)C(=O)NC[C@@]1(O)CCSC1 593504616 HEBXPOSGYKXLRD-WPRPVWTQSA-N 228.317 0.520 30 20 BCED CN(C)C[C@@H]1CCN(c2ccc(C#N)c(N)n2)C1 594574971 MOCIHIAXIHWGEY-JTQLQIEISA-N 245.330 0.923 30 20 BCED COC[C@H]1C[C@@H](O)CN1c1ccc(C#N)c(N)n1 594586582 VXAPGDGITYFIAI-NXEZZACHSA-N 248.286 0.121 30 20 BCED C[C@H](CO)[C@@H]1CCCCN1CC(=O)NCC#N 595670779 CTARGEQWBUKUSF-MNOVXSKESA-N 239.319 0.109 30 20 BCED C[C@H]1C[C@@H](Nc2cc(C#N)cnn2)CN1C1CC1 596157305 XWHUATUWXMYBLZ-GXSJLCMTSA-N 243.314 1.385 30 20 BCED C[C@@H]1C[C@H](CO)CN(c2c(C#N)cnn2C)C1 596280219 VNLUOGCNMHAWRJ-ZJUUUORDSA-N 234.303 0.746 30 20 BCED Cc1ncc(C(=O)N(CC#N)C2CC2)c(N)n1 596916361 LDOCAVRYLGGQBE-UHFFFAOYSA-N 231.259 0.495 30 20 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0.958 30 20 BCED CC[C@@H](C#N)C(=O)NCCN1CC[C@@H](C)C1 593499463 SFOGGTCMQFLWPG-MNOVXSKESA-N 223.320 0.994 30 20 BCED CC[C@H](C#N)N(C)C(=O)Cn1ccc(C)n1 594091944 QBVGSEKZCBITCW-SNVBAGLBSA-N 220.276 0.952 30 20 BCED CCN(CCC#N)CC(=O)Nc1cnccn1 595333938 PMTZUBNDWNALSS-UHFFFAOYSA-N 233.275 0.651 30 20 BCED N#Cc1ccncc1N[C@@H]1C[C@H](C(=O)O)C[C@H]1O 595976665 DEQCVMKNMWGODF-IQJOONFLSA-N 247.254 0.589 30 20 BCED Cn1c(NCC(C)(C)C#N)cc(=O)n(C)c1=O 596190809 XOVVNTNQPGCJMO-UHFFFAOYSA-N 236.275 0.046 30 20 BCED CCc1nc(C#N)cc(N2CC(C#N)C2)n1 596240024 OXRMIOWUKRYMLI-UHFFFAOYSA-N 213.244 0.870 30 20 BCED Cc1ccc(N2CC[C@@](O)(CC#N)C2)nn1 596288355 IKVGINMNCBKOLL-NSHDSACASA-N 218.260 0.640 30 20 BCED C[C@@H](N=c1cc[nH]c(C#N)c1)C1(CO)CC1 596438280 RHKOTBRFHYVFQY-SECBINFHSA-N 217.272 0.948 30 20 BCED Cc1cnc2nc(C(=O)N[C@@H](C)C#N)nn2c1 596968824 SWXQOEWCTBCMPO-ZETCQYMHSA-N 230.231 0.075 30 20 BCED CCOCCOCCCC(=O)NCC#N 597031623 RAXQJQFZBBAJCJ-UHFFFAOYSA-N 214.265 0.459 30 20 BCED N#CCC1(CNC(=O)c2ncc[nH]2)CC1 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IAZMTFMTZUYQBO-YUMQZZPRSA-N 209.249 0.524 30 20 BCED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CC(=O)N1 614131865 FHTNXLQQKABZHB-NXEZZACHSA-N 222.288 0.832 30 20 BCED C=C[C@@H](O)C(=O)NCCC1(OC)CCC1 615343151 UTUVDJMGAWQSBB-SECBINFHSA-N 213.277 0.609 30 20 BCED COCCO[C@@H]1CCN(c2cc(C#N)ncn2)C1 617970120 JBEHUFAPHXNCEJ-LLVKDONJSA-N 248.286 0.590 30 20 BCED CC#CCNC(=O)[C@@]1(C2CCCC2)CCNC1=O 626302086 IXUWUJUFQHELSU-AWEZNQCLSA-N 248.326 0.822 30 20 BCED CC#CCNC(=O)Nc1cc(OC)n[nH]1 626695982 NURLAANNDIDSGY-UHFFFAOYSA-N 208.221 0.563 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CO)COC 633892458 ZEJZULTUIYEUCI-SCVCMEIPSA-N 243.303 0.091 30 20 BCED CC(C)c1nccn1CC(=O)NCC#CCO 635900599 NJYCQNJJJZUBOA-UHFFFAOYSA-N 235.287 0.118 30 20 BCED C=CCn1cc(CNC(=O)[C@H]2C[C@@H]2C)nn1 644785510 IEQKSGAZJRNCRV-WPRPVWTQSA-N 220.276 0.736 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C=C)CO 661270335 DSULDYWCGDZTJE-BBBLOLIVSA-N 226.276 0.176 30 20 BCED C=C[C@H](CO)NC[C@@H](O)Cc1ccccc1 662168357 CLKLVMMWUYWKKZ-OLZOCXBDSA-N 221.300 0.727 30 20 BCED C=C[C@H](CO)NCCc1nc(C)c(C(C)=O)[nH]1 662168740 SEBJYDSUGKCAEV-SNVBAGLBSA-N 237.303 0.600 30 20 BCED C=C[C@@H](O)C(=O)NC[C@H]1CCN(C2CC2)C1 666913226 FYZIQRBACKVUEM-MWLCHTKSSA-N 224.304 0.134 30 20 BCED C=C[C@H](O)C(=O)NC[C@@H]1CCN(C(C)C)C1 667376295 NWKDLUGIYRJDDK-QWRGUYRKSA-N 226.320 0.380 30 20 BCED O=C(NO)[C@@H]1CCCN1C(=O)c1ccco1 671997788 NDLCKFQROZKIMM-ZETCQYMHSA-N 224.216 0.390 30 20 BCED C=C(C)CNC(=O)c1ccc(=O)n(CC)n1 681743725 LFZRWHQCPGZFQP-UHFFFAOYSA-N 221.260 0.569 30 20 BCED C#CCN(C(=O)c1cc(C(=O)O)no1)C(C)C 688787276 DCLLOHLWCWXHFK-UHFFFAOYSA-N 236.227 0.857 30 20 BCED C=C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)C(=O)O 691277053 QMYNTKJJPMESEW-KXUCPTDWSA-N 211.261 0.783 30 20 BCED COCC#CCN1CCCC[C@@H]1C(=O)O 694750686 YQIARCUDEBYTCJ-SNVBAGLBSA-N 211.261 0.575 30 20 BCED C[C@H](C#N)CNC(=O)[C@H]1CCCN(C(N)=O)C1 701332295 XJGMHVDKWDJYEV-BDAKNGLRSA-N 238.291 0.053 30 20 BCED C#CCCCS(=O)(=O)NC[C@@H](OC)C1CC1 710105383 VNLMFVMVZLRQKE-LLVKDONJSA-N 245.344 0.744 30 20 BCED C#CC[C@@H](CO)Nc1ncc(C(=O)O)s1 717733648 QKGYYNKZSLBDPG-LURJTMIESA-N 226.257 0.637 30 20 BCED C#CC[C@@H](CO)Nc1cc(C#N)nc(C)n1 717741674 XPZOKPJKMAXCNI-VIFPVBQESA-N 216.244 0.453 30 20 BCED C#CC[C@H](CO)NS(=O)(=O)C1CCCCC1 717769035 BTFUDKDGXVASRS-SNVBAGLBSA-N 245.344 0.623 30 20 BCED N#CCNC(=O)COC(=O)/C=C\c1ccccc1 731234948 UEXQKDVSBVNKDV-SREVYHEPSA-N 244.250 0.883 30 20 BCED N#CCNC(=O)COC(=O)c1ccco1 731235880 LOAXYQGBVOVHKU-UHFFFAOYSA-N 208.173 0.076 30 20 BCED C#CCCCCC(=O)Nc1cnnn1C 752953207 QQFGTRBOAXTWNT-UHFFFAOYSA-N 206.249 0.947 30 20 BCED CN(CC#N)C(=O)C(F)(F)C1(O)CCC1 752961962 YSSQNYQCNHIMKD-UHFFFAOYSA-N 218.203 0.519 30 20 BCED CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)C#N 753757376 XBENKDVYCQVZGJ-VIFPVBQESA-N 246.332 0.428 30 20 BCED Cc1cc(NN=Cc2cc[nH]n2)ncn1 755728137 PJNABHDRJNHTEA-UHFFFAOYSA-N 202.221 0.954 30 20 BCED C=CCOCC(=O)NC[C@@H](O)CC(C)C 762472496 JKGWOKWTZLJXDV-JTQLQIEISA-N 215.293 0.712 30 20 BCED CC[C@H](CC#N)NC(=O)CCN1CCOCC1 762722326 LFPOSDJYVSOYEC-LLVKDONJSA-N 239.319 0.517 30 20 BCED CC(=NNS(C)(=O)=O)c1ccc(C)o1 764700757 RLKDFXNSMLSOLN-UHFFFAOYSA-N 216.262 0.861 30 20 BCED C#C[C@@H](C)N(C)CN1C[C@]2(CCOC2)CC1=O 766665281 XCFIQPZDSWIZBV-YPMHNXCESA-N 236.315 0.536 30 20 BCED N#CC1(C(=O)N[C@@H](CCO)C2CC2)CCC1 768855469 MYRJNHJBELPLFP-JTQLQIEISA-N 222.288 0.957 30 20 BCED CCN1CCOC[C@H]1C(=O)O[C@@H](C)C#N 769084392 IAELAGUIJIUGGT-IUCAKERBSA-N 212.249 0.162 30 20 BCED C#CCNC(=O)CN1CCC[C@]1(CO)CCC 769912189 CHSXPYHBFHVNSF-ZDUSSCGKSA-N 238.331 0.363 30 20 BCED C#C[C@H](C)NS(=O)(=O)CCCC(=O)OCC 770364528 NQEVBSWOYBGINQ-VIFPVBQESA-N 247.316 0.271 30 20 BCED C#CCCc1noc(CN2CCOCC2)n1 770876900 WKEWZQFNOHLHPC-UHFFFAOYSA-N 221.260 0.468 30 20 BCED C=CCS(=O)(=O)NC(=O)C1(CC)COC1 772711079 VHTFCRVZFJQYRO-UHFFFAOYSA-N 233.289 0.045 30 20 BCED C#C[C@H](NC(=O)[C@H](C)OC)[C@H]1CCCO1 772893689 UFBRHXBJXSIUPG-LPEHRKFASA-N 211.261 0.318 30 20 BCED C=C(CC)COC(=O)[C@@H](C)NS(C)(=O)=O 773540497 LAOFPBQQEMVFMC-MRVPVSSYSA-N 235.305 0.434 30 20 BCED CON=CC(=O)NCCN(C)C1CCCC1 773931747 LNAMUCJJUUGDCH-UHFFFAOYSA-N 227.308 0.609 30 20 BCED CON=CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 774068657 MHTMTOSVYJLSKI-FBIMIBRVSA-N 238.287 0.692 30 20 BCED Cn1nnnc1NC(=O)c1cccc(C#N)c1 779467704 UDANZYFAHMDSEL-UHFFFAOYSA-N 228.215 0.334 30 20 BCED C[C@@H](NC(=O)NCCC#N)c1nnnn1C1CC1 787370242 HZJIYWVPTRUZPX-SSDOTTSWSA-N 249.278 0.282 30 20 BCED C[C@H](O)c1ncc(C=NN[C@@H]2CCOC2)s1 788452474 OZKZGQFSRNQGJU-JGVFFNPUSA-N 241.316 0.909 30 20 BCED C#CCCS(=O)(=O)NC(=O)/C=C(/C)C1CC1 791111761 YGWNDNMLJYICFY-HJWRWDBZSA-N 241.312 0.812 30 20 BCED CC#CCS(=O)(=O)NC(=O)CCCC(C)=O 798203169 USSQHDHHCXSFPC-UHFFFAOYSA-N 245.300 0.215 30 20 BCED C#CCC[C@H](O)CNC(=O)c1cnn(CCC)c1 799077229 BOOILHDIWYFTJO-LBPRGKRZSA-N 249.314 0.797 30 20 BCED CO[C@@H](C)C(=N)NOCCO[C@H](C)C#N 802731475 QENZCRNMOYEQGN-SFYZADRCSA-N 215.253 0.448 30 20 BCED C#Cc1cncc(C(=O)NCC(=O)N(C)CC)c1 807275203 CDSLPMOUTCDQQZ-UHFFFAOYSA-N 245.282 0.271 30 20 BCED CON=CC(=O)NC1CCN(CC(F)F)CC1 809644289 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C=C(C)CN1CC(N(C)C(=O)c2cnn(C)n2)C1 1044048286 UJEPZUSVVVCUQG-UHFFFAOYSA-N 249.318 0.147 30 20 BCED C#CCN1CC[C@@](C)(NC(=O)c2cncn2C)C1 1046451617 MGBAQAIYSATRPJ-CYBMUJFWSA-N 246.314 0.248 30 20 BCED C=CCCCC(=O)N(CCO)CCNC(C)=O 1058621592 LHJULXNQLXCWOK-UHFFFAOYSA-N 242.319 0.300 30 20 BCED C#CCN[C@H]1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@H]1C 1074660107 RWIMCRWNYHNDCK-MNXVOIDGSA-N 248.326 0.235 30 20 BCED C=CCCCN1CC[C@H](NC(=O)CC)[C@@H](O)C1 1099607485 NGVJFZTWIQWFGT-RYUDHWBXSA-N 240.347 0.914 30 20 BCED C=CCCC(=O)NC1[C@H]2CN(CCCO)C[C@H]12 1114002117 JBFLBUBRKFBOLH-QWRGUYRKSA-N 238.331 0.381 30 20 BCED CC1(CC(=O)NC2[C@H]3CN(CC#N)C[C@H]23)CC1 1114595774 KGUARWRGYDJCSA-UWVGGRQHSA-N 233.315 0.747 30 20 BCED C#C[C@H](NC(=O)Cc1nnc(C)o1)[C@H]1CCCO1 1117710645 ZFDJCAAKQJTNEE-VHSXEESVSA-N 249.270 0.218 30 20 BCED CC#CCN(C)C(=O)C(=O)N1CCC[C@@H]1C1CC1 1117919169 OXVNAHAAZPWPOQ-GFCCVEGCSA-N 248.326 0.869 30 20 BCED C#CCN(C)c1nnnn1C[C@H](C)CCOC 1120270350 DTJQEZGGHROTAQ-SNVBAGLBSA-N 237.307 0.415 30 20 BCED C#CC[C@@H](CCOC)Nc1cc(N)ncn1 1120867500 JGHMWHWUWJDEHH-VIFPVBQESA-N 220.276 0.899 30 20 BCED C=CCOCC(=O)NCCNC(C)C 1124773670 VAAVFWHCQKHTFS-UHFFFAOYSA-N 200.282 0.303 30 20 BCED C#CCNCCNC(=O)c1cc(CC)ccn1 1128009971 UWTPKKIEDDYHEC-UHFFFAOYSA-N 231.299 0.597 30 20 BCED C=CCNCCNC(=O)[C@@H](CC)N(C)C 1130197418 IFXBCHMNQJQLIN-SNVBAGLBSA-N 213.325 0.218 30 20 BCED N#CCNCCNC(=O)CCCC1CC1 1132600291 JZYQPVAIVZWWDN-UHFFFAOYSA-N 209.293 0.796 30 20 BCED C#CCCNCCNC(=O)Cc1occc1C 1133580754 PYCTVYFNKPTROB-UHFFFAOYSA-N 234.299 0.860 30 20 BCED C#CCCNCCNC(=O)c1ccn(C(C)C)n1 1134594145 COVKQOWPKLSTPV-UHFFFAOYSA-N 248.330 0.807 30 20 BCED Cc1ccc(C(=O)NCCNCC#N)c(C)n1 1152078345 OWABRPGAKDXVHH-UHFFFAOYSA-N 232.287 0.541 30 20 BCED CCN(CC#N)[C@H](C)CNC(=O)c1cnco1 1154509899 VXORERMQOVLCPA-SECBINFHSA-N 236.275 0.638 30 20 BCED Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)CC(N)=O 1158241111 RZICURBCSYXDSY-ZCFIWIBFSA-N 234.259 0.189 30 20 BCED CCc1cccc(C(=O)NCCCNCC#N)n1 1160036314 WQLFIYGGOGKEHF-UHFFFAOYSA-N 246.314 0.877 30 20 BCED N#Cc1cnc(NCc2nc[nH]n2)c(F)c1 1162272247 CMJAYSOVSUVGPI-UHFFFAOYSA-N 218.195 0.823 30 20 BCED COCC#CCNCCCC[C@@H](C)NC(C)=O 1168688722 WUZWDVVVYQWAKG-GFCCVEGCSA-N 240.347 0.921 30 20 BCED C=CCNCCCNC(=O)CCN(C)CC 1170211130 KOCOCKRHHBJZLL-UHFFFAOYSA-N 227.352 0.610 30 20 BCED CC#CCN[C@H]1CCN(C(=O)CC)[C@H]1C 1177983773 VFCXXOXNDDQFHZ-QWRGUYRKSA-N 208.305 0.999 30 20 BCED C=CCN[C@@H]1CCN(C(=O)[C@@H](C)OCC=C)C1 1188310431 WAJLINWCWOHINL-VXGBXAGGSA-N 238.331 0.954 30 20 BCED N#Cc1cc(=O)n(Cc2csnn2)cn1 1189600339 BCFARGVLYFJKKW-UHFFFAOYSA-N 219.229 0.015 30 20 BCED CC#CCNC1CCN(C(=O)c2cnn[nH]2)CC1 1201427618 BLNYFLBTIXKDKA-UHFFFAOYSA-N 247.302 0.022 30 20 BCED N#C[C@H]1CN(C(=O)NCC2(C#N)CCC2)CCO1 1230206106 YAILATCFHWGELF-JTQLQIEISA-N 248.286 0.614 30 20 BCED C#CCCN(C)CCCNC(=O)CCOC 1231036868 OGKAQHJYJHUBTG-UHFFFAOYSA-N 226.320 0.484 30 20 BCED C#CCN(CC1CC1)C(=O)c1nonc1C 1253571016 USHSMSRJIXMWMG-UHFFFAOYSA-N 219.244 0.863 30 20 BCED C#CCSCC(=O)NC[C@@](C)(O)CSC 1262116209 ZZQLTRQZJOGGHG-SNVBAGLBSA-N 247.385 0.583 30 20 BCED CO[C@@H](CNCc1ccc(C#N)cc1)C(=O)O 1262163625 ZJQPJUPRNZKXEG-NSHDSACASA-N 234.255 0.747 30 20 BCED Cn1ccnc1[C@H](C#N)C(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 1263332238 KKLJOQQQRBEAKB-SCVMZPAESA-N 243.266 0.821 30 20 BCED C=C(Cl)CNC[C@H](C)CNC(=O)COC 1267974806 IHYAWHDHFALHBR-QMMMGPOBSA-N 234.727 0.727 30 20 BCED N#CCC[C@H](C#N)CN1CC[C@H](O)[C@@H](CO)C1 1307848458 IFNSQZWCNCYEAC-UTUOFQBUSA-N 237.303 0.105 30 20 BCED N#CCSCC(=O)NC1CCOCC1 1317916605 ATWMIIPOPTUIDH-UHFFFAOYSA-N 214.290 0.538 30 20 BCED N#Cc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 1318041428 NRJPPCSQIMMRBL-VIFPVBQESA-N 229.239 0.396 30 20 BCED C=CCNC(=O)C[S@@](=O)Cc1cc(C)no1 1321566482 WWBAMDRDUPIHAF-INIZCTEOSA-N 242.300 0.534 30 20 BCED N#CCCCCNC(=O)C(=O)N1C2CCC1CC2 1322507013 GMUCHSFXXLMDNR-UHFFFAOYSA-N 249.314 0.950 30 20 BCED C#CCOCCNC(=O)C(=O)N(CC)CCC 1322967429 SPSYSNIDYDVGKU-UHFFFAOYSA-N 240.303 0.011 30 20 BCED CON=CC(=O)N[C@H](C(=O)OC(C)C)C(C)C 1324596818 KIFFOHIHXCUKAZ-JTQLQIEISA-N 244.291 0.711 30 20 BCED CCN1CC[C@H](CNC(=O)C#CCOC)C1 1327860761 XXPXJFIUESYPFP-LLVKDONJSA-N 224.304 0.094 30 20 BCED C=CCN(C(=O)COCC(=O)OC)C(C)C 1328147716 QFQALNOPNKURMZ-UHFFFAOYSA-N 229.276 0.599 30 20 BCED C=C[C@](C)(O)CC(=O)NCc1cnc(O)[nH]1 1328704107 IHDKSASLWZUCQF-JTQLQIEISA-N 225.248 0.059 30 20 BCED CC[C@@H](C#N)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1330130713 AMRJLPZZPYMTBJ-HRDYMLBCSA-N 244.316 0.228 30 20 BCED CC(C)[C@@H](C#N)NC(=O)[C@]1(F)CCOC1 1330138672 XTBMXBAUHMPFNF-SCZZXKLOSA-N 214.240 0.779 30 20 BCED C=C[C@H](COC)NS(=O)(=O)NCCC 1330155623 ITDMEEMFFUFXKL-MRVPVSSYSA-N 222.310 0.021 30 20 BCED C=C[C@](C)(O)C(=O)Nc1ccc(NC(C)=O)cn1 1331154867 DMAYWRXBDHKSCI-LBPRGKRZSA-N 249.270 0.916 30 20 BCED N#CCN(CC#N)C(=O)c1cnn(C(F)F)c1 1331866547 RFUMQEGDBCUHCX-UHFFFAOYSA-N 239.185 0.768 30 20 BCED CN[C@@H](C)C(=O)NCc1ccc(OC)c(C#N)c1 1332070569 YFPGQFPMZUWUDY-VIFPVBQESA-N 247.298 0.791 30 20 BCED C=C[C@](C)(O)CC(=O)NC1(C(C)=O)CC1 1332149386 QLVXOLZWWSTMTM-JTQLQIEISA-N 211.261 0.551 30 20 BCED COC1(OC)CC(NC(=O)CSCC#N)C1 1332200747 CJUSUGSCHNXJFC-UHFFFAOYSA-N 244.316 0.511 30 20 BCED C=CCO[C@@H]1CCN(C(=O)[C@@H](CC)C(=O)O)C1 1332613004 APDYIHISWPVHKF-NXEZZACHSA-N 241.287 0.901 30 20 BCED C=C[C@H](COC)NC(=O)Nc1ncccn1 1334076259 ONSZZZZTCGJFSC-MRVPVSSYSA-N 222.248 0.799 30 20 BCED N#CCCCC(=O)NCC1CC2(C1)OCCO2 1335158742 IMDZRHBIMXRIQQ-UHFFFAOYSA-N 238.287 0.950 30 20 BCED C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCS(=O)(=O)C1 1336826636 VRIDVMYNSBNAFL-MXWKQRLJSA-N 245.344 0.497 30 20 BCED C#Cc1ccc(N[C@H](CO)[C@H](O)CCC)nc1 1337189884 DIKDKNXANZHCAO-VXGBXAGGSA-N 234.299 0.997 30 20 BCED Cc1cnc(O)c(CNC(=O)[C@H](C)C#N)c1 1337493477 YDWKBIWDJNDEAP-MRVPVSSYSA-N 219.244 0.872 30 20 BCED Cn1ncc(C#N)c1N1CC[C@]2(CCOC2=O)C1 1338223201 WPACLEREDBZAPS-LBPRGKRZSA-N 246.270 0.435 30 20 BCED C#CCNCC(=O)Nc1ccc(CNC)cc1 1341777842 MPVZRXVJKUEPIT-UHFFFAOYSA-N 231.299 0.567 30 20 BCED Cn1cnnc1[C@H]1CCCN(C(=O)CC#N)C1 1342877892 YCUIOHHGPUWHTR-VIFPVBQESA-N 233.275 0.435 30 20 BCED Cn1cncc1C(=O)[C@H](C#N)C(=O)NC1CC1 1343509638 LJUVERJCDPGOJL-QMMMGPOBSA-N 232.243 0.021 30 20 BCED C#C[C@@H](C)OC(=O)CS(=O)(=O)C1CC1 1344738439 CHWQZYTXALLMTH-SSDOTTSWSA-N 216.258 0.129 30 20 BCED C#C[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1346677875 ZKDBHCHPLWRTOB-OASPWFOLSA-N 243.310 0.932 30 20 BCED C#CCC[C@H](O)CNC(=O)[C@@H]1[C@@H](C)C1(F)F 1346963271 ZMGWPBYWEWKQFO-VGMNWLOBSA-N 231.242 0.778 30 20 BCED C=C(CC)C(=O)N1CC2(CN(C)C(=O)O2)C1 1347182530 IISORRUARNZBAF-UHFFFAOYSA-N 224.260 0.616 30 20 BCED Cn1ccc(NN=Cc2cn(C)nc2O)n1 1347600650 OMXTYTBHHFJIQI-UHFFFAOYSA-N 220.236 0.305 30 20 BCED COCC#CC(=O)N1CC[C@H](OCC(C)C)C1 1347666230 DFMYRHQPQZBZBT-LBPRGKRZSA-N 239.315 0.910 30 20 BCED C#CCOCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 1349902065 NXWOYIIDXSVHCZ-LLVKDONJSA-N 249.314 0.697 30 20 BCED CCn1cc(C(=O)[C@@H](C#N)C(=O)NC2CC2)cn1 1356017040 MECLKAUMQOGQJL-SNVBAGLBSA-N 246.270 0.504 30 20 BCED CC(C)[C@@H](C#N)OC(=O)c1cc(=O)n(C)cn1 1356146413 KQKJTQAWTGFNSD-SECBINFHSA-N 235.243 0.485 30 20 BCED N#Cc1cc(F)ccc1NC(=O)Cn1ncnn1 1435415276 HRKVGATXNHOZBH-UHFFFAOYSA-N 246.205 0.323 30 20 BCED CN(Cc1nc[nH]n1)c1cc(C#N)cnn1 1458340904 KNCPXAYGANBPSI-UHFFFAOYSA-N 215.220 0.103 30 20 BCED C#CCC[C@H](O)CNc1nc(C)cc(O)n1 1515720915 RZFIZQFSJZIFES-VIFPVBQESA-N 221.260 0.677 30 20 BCED C#CC[C@H](CO)NC(=O)c1ccnn1[C@H](C)CC 1528434874 XETLQQUSZIFVGX-GHMZBOCLSA-N 249.314 0.968 30 20 BCED N#Cc1c(F)cc(C(=O)Nn2cnnc2)cc1F 1566901071 LVYJJQBMCFXRPG-UHFFFAOYSA-N 249.180 0.812 30 20 BCED N#CCC1CCN(C(=O)[C@H]2C[C@H]2N)CC1 1580047772 OAQWBBCQRGRITH-VHSXEESVSA-N 207.277 0.486 30 20 BCED N#C[C@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1 1580055986 DMELKQJGWMWWIS-OPRDCNLKSA-N 207.277 0.404 30 20 BCED C#CC[C@H](NC(=O)CCC(F)F)C(=O)O 1588406432 QAVFSQMHKVGNOT-LURJTMIESA-N 219.187 0.624 30 20 BCED C#CCCCCC(=O)NCCN(C)CC(=O)O 1588440276 QCPSMOQWPQYRBT-UHFFFAOYSA-N 240.303 0.313 30 20 BCED C=CCOC[C@H](NCc1nccn1C)C(=O)O 1588866843 RFLSSXDIIBAOQM-VIFPVBQESA-N 239.275 0.166 30 20 BCED COc1cc(C#N)cc(OCC(=O)C(=O)O)c1 1594049898 BZNFXRFOFCDWQN-UHFFFAOYSA-N 235.195 0.599 30 20 BCED C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)NCCC#N 1594149996 QAYBIWCCBMYBHR-SFYZADRCSA-N 225.248 0.405 30 20 BCED N#C[C@]1(c2nc(CC(=O)O)no2)CCCOC1 1594605742 JOEBDGJIGBERAU-SNVBAGLBSA-N 237.215 0.268 30 20 BCED CC[C@@](C)(CC(=O)O)NC(=O)C#CCOC 1594815773 NRTRGIKBJVGCOL-NSHDSACASA-N 227.260 0.396 30 20 BCED C=C(C)C[C@@H](NC1COCCOC1)C(=O)O 1602754972 BSRNDVIAVCXMDR-SNVBAGLBSA-N 229.276 0.411 30 20 BCED C[C@@H](C#N)CNC(=O)[C@@H]1CC[C@H]1C(=O)O 1602786433 QOYJPDRKZZWTHI-XLPZGREQSA-N 210.233 0.373 30 20 BCED C[C@H](C(=O)O)C(=O)[C@H](C#N)c1ccccn1 1602795521 HIROCYAUKWUVHY-JGVFFNPUSA-N 218.212 0.979 30 20 BCED C=C[C@@H](COC)NCc1cc(C(=O)O)no1 1602817222 VFMRRMYMVWUGEY-ZETCQYMHSA-N 226.232 0.663 30 20 BCED C[C@H]1[C@@H](C(=O)O)CCN1C(=O)[C@H](C)C#N 1609630968 LAKSCGDGINTPMK-CSMHCCOUSA-N 210.233 0.468 30 20 BCED CN(CC(C)(C)O)C(=O)c1ccc(C#N)n1C 1629299581 FSHPUQLANXIATC-UHFFFAOYSA-N 235.287 0.740 30 20 BCED C=C(Cl)CN[C@H](C)CNC(=O)CCOC 1714206225 YGUMMAHOFMCCKA-SECBINFHSA-N 234.727 0.870 30 20 BCED C=C[C@](C)(O)CC(=O)NC[C@H](C)NCCF 1752870926 QMYPFIMBYFEPAR-ONGXEEELSA-N 232.299 0.377 30 20 BCED C=C(C)CN[C@H](C)CCNC(=O)COC 1753000465 FXDWCXGTCREKPL-SNVBAGLBSA-N 214.309 0.693 30 20 BCED CC[C@@H](CNC(=O)CO[C@@H](C)CC)NCC#N 1753470054 LSPFFORBILNGPF-QWRGUYRKSA-N 241.335 0.809 30 20 BCED C#CCOCCC(=O)NC/C=C\CNCC#CC 1754119563 LNZZVXZZSPVYIM-SREVYHEPSA-N 248.326 0.312 30 20 BCED CC(C)c1cnn(C)c1C=NNCC(=O)O 1776078779 QOVCAMIAMGKZGB-UHFFFAOYSA-N 224.264 0.552 30 20 BCED C#Cc1cnc(OC[C@@H]2CCCNC2)cn1 1898221399 BBRHZBBYXJZIJK-SNVBAGLBSA-N 217.272 0.836 30 20 BCED C#CCNCC(=O)N1CCc2sccc2C1 35099791 SZJLICCAFGGTID-UHFFFAOYSA-N 234.324 0.856 30 20 BCED CN(CC(=O)O)C(=O)COc1ccc(C#N)cc1 37410565 LVFHFXTUCKKAGY-UHFFFAOYSA-N 248.238 0.480 30 20 BCED CCNC(=O)CN(C)C(=O)[C@@H](C#N)CC 44826137 VMFMPPLRNCLBIM-MRVPVSSYSA-N 211.265 0.131 30 20 BCED N#Cc1cc(NC(=O)[C@@H]2CNCCO2)ccc1F 51638371 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0.510 30 20 BCED C=C[C@H](C(=O)OC)N(C)CCC(=O)OCC 619717258 PSLBPVDHXHUCMD-SECBINFHSA-N 229.276 0.599 30 20 BCED C=C[C@H](O)C(=O)NCc1ccccc1CN(C)C 646685613 GOEHXRINKJLDGL-ZDUSSCGKSA-N 248.326 0.911 30 20 BCED CC#CC[C@@H](CO)NC(=O)[C@H](OC)C1CC1 649181456 ANYFZRFOFWGOKN-WDEREUQCSA-N 225.288 0.302 30 20 BCED CC#CC[C@@H](CO)NC(=O)COc1ccccc1 649195071 YIRQUYNRMPTBNB-LBPRGKRZSA-N 247.294 0.956 30 20 BCED C=CCOCCNC(=O)NC(C)(C)CN(C)C 655783869 OOCLGHWGYFULAC-UHFFFAOYSA-N 243.351 0.828 30 20 BCED C=CCNC(=O)[C@H](C)N(C)Cc1cnc[nH]1 661085774 PWCYEKVNUSBIGG-VIFPVBQESA-N 222.292 0.532 30 20 BCED C=CCCNC(=O)N1CC[C@@H]([C@H](C)O)C1 665944314 LLBQPNKJXQFECK-VHSXEESVSA-N 212.293 0.975 30 20 BCED C=C[C@](C)(O)C(=O)NCC(=O)Nc1cccnc1 667865485 AFTZRXCWINUAEI-LBPRGKRZSA-N 249.270 0.073 30 20 BCED C=CC[C@@H](CO)CNC(=O)C(C)(C)NC(C)=O 678800297 GRCWYHCICNZOGX-SNVBAGLBSA-N 242.319 0.202 30 20 BCED C#CCNCC(=O)NC[C@@]1(C)CC1(F)F 689267830 LELQZZAONAKJEQ-SECBINFHSA-N 216.231 0.371 30 20 BCED C#CCNCC(=O)NCCSCCC=C 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246.314 0.269 30 20 BCED C#CCN1CCC[C@H]1C(=O)Nc1nncs1 730105037 ZQZNQQZGBCEIJC-QMMMGPOBSA-N 236.300 0.574 30 20 BCED C#CCN1CCC[C@H]1C(=O)N(C)CC(F)F 733147979 RBPSCIQUDVWTEU-VIFPVBQESA-N 230.258 0.808 30 20 BCED C#CC(C)(C)NC(=O)c1cnc(OC)nc1 733978815 XPNLIVWGXBBGAD-UHFFFAOYSA-N 219.244 0.627 30 20 BCED CC(C)C[C@@H](NC(=O)CN(C)CC#N)C(=O)O 736414516 YOTOXKQEKOFSJV-SECBINFHSA-N 241.291 0.057 30 20 BCED C#CCCCNC(=O)N(C)[C@H]1CCN(C)C1=O 745900049 UJQXNEBGOMULNT-JTQLQIEISA-N 237.303 0.272 30 20 BCED CC(=NN[C@@H](C)CO)c1ccc2c(c1)CC(=O)N2 749821087 NBRATRZWBGHOSM-QMMMGPOBSA-N 247.298 0.876 30 20 BCED Cc1nnc2n1C[C@H](C(=O)O[C@@H](C)C#N)CC2 750675077 HGPSQNMSICYEMF-IONNQARKSA-N 234.259 0.604 30 20 BCED C#C[C@H](CC)NC(=O)NCCS(=O)(=O)CC 753123584 AYYADNURWKLOJR-SECBINFHSA-N 246.332 0.132 30 20 BCED C=CCS(=O)(=O)NC(=O)C1(OC)CCCC1 753993261 AUPQTVUKAYIHQE-UHFFFAOYSA-N 247.316 0.578 30 20 BCED C#CC(=O)NC[C@@H](O)c1ccc(OC)cc1 754075543 LANUAEUNAHQCEV-LLVKDONJSA-N 219.240 0.478 30 20 BCED CC[C@@H]1COCCN1Cn1cccc(C#N)c1=O 758222122 IMTLYMIBGMJUEO-GFCCVEGCSA-N 247.298 0.788 30 20 BCED C#CCNC(=S)N1CCO[C@@H](C)[C@H]1C 758242890 NHAGYKLYPFTWOC-BDAKNGLRSA-N 212.318 0.603 30 20 BCED COCC#CCOC(=O)[C@@H]1CCSC1 762833093 VLYNPKWSKZVMJO-SECBINFHSA-N 214.286 0.933 30 20 BCED Cc1cc(=O)c(C(=O)N=C2C[C@H](C)ON2)c[nH]1 765368137 LODKEKSLIDQSQX-ZETCQYMHSA-N 235.243 0.535 30 20 BCED C#CC(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F 765950733 ZOVSMRGRUCSBDT-CAHLUQPWSA-N 209.167 0.438 30 20 BCED CC#CCOC(=O)CS(=O)(=O)C(C)(C)C 767826942 RMJKTNXAIWNWIM-UHFFFAOYSA-N 232.301 0.766 30 20 BCED N#Cc1ccc(C=NN2C(=O)CNC2=O)c(F)c1 770616011 WBFKXKLLJFXCAT-UHFFFAOYSA-N 246.201 0.583 30 20 BCED C#CC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 770839290 LKLGGPPDUDJRCQ-VXGBXAGGSA-N 233.267 0.220 30 20 BCED CCOc1cccc(C=NOCC(N)=O)c1 771579537 YVRFLFPGUHQYNE-UHFFFAOYSA-N 222.244 0.921 30 20 BCED CO[C@@H]1CCCCC1=NNC1=NC[C@@H](C)N1 779793652 WEFDXAMEASKERS-PSASIEDQSA-N 224.308 0.869 30 20 BCED O=C1CN(CC/N=C\c2ccccc2O)CCN1 781100900 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0.375 30 20 BCED C#CC(C)(C)NC(=O)[C@H](C)N1CCSCC1 269700749 QYXKDSHVWHTIBO-JTQLQIEISA-N 240.372 0.952 30 20 BCED CC#CCNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 270619500 BXVSRINJIUUKMU-LYGAQUJYSA-N 242.344 0.561 30 20 BCED CNC(=NCCc1cccc(C(=O)OC)c1)NC 271063747 YZOXQGZKUGMHLH-UHFFFAOYSA-N 249.314 0.811 30 20 BCED C=CCSCCN1C(=O)N[C@H](C)C1=O 272370276 HQDOPJFNHKWFJI-SSDOTTSWSA-N 214.290 0.846 30 20 BCED CN(C[C@H](O)CO)C(=O)c1cccc(CC#N)c1 273652627 BCKBIYQTDTZQRK-LBPRGKRZSA-N 248.282 0.178 30 20 BCED CC[C@H](CC#N)NC(=O)c1ccc(C(N)=O)o1 273912892 YBDUJUTYYQCLNZ-SSDOTTSWSA-N 235.243 0.801 30 20 BCED C#CCCCC(=O)N[C@H](C)c1nncn1C 277045962 HONJBRNQXCYEHK-SECBINFHSA-N 220.276 0.796 30 20 BCED C#CCN(CC(O)CN(CC#C)C1CC1)C1CC1 278342821 MBXNONDOXSWVDL-UHFFFAOYSA-N 246.354 0.543 30 20 BCED CC#CC(=O)NCCCO[C@@H]1CCOC1 278871736 NCCNJEFERSUNRG-SNVBAGLBSA-N 211.261 0.322 30 20 BCED C#C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C(C)C 281266249 DLOFTMWHSLQQIO-VHSXEESVSA-N 222.288 0.239 30 20 BCED C=CCNC(=O)C[S@](=O)[C@H]1CCO[C@H]1C 284989704 HJXPCVDXYXIGRE-UTEYVOQOSA-N 231.317 0.215 30 20 BCED CCC1(C(=O)NCCn2cnc(C#N)n2)CC1 286950308 RNRBYWMWGNEWFO-UHFFFAOYSA-N 233.275 0.456 30 20 BCED C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1COC[C@H]1O 287400095 SDPOCRWQYQOAEA-HBNTYKKESA-N 227.304 0.807 30 20 BCED C=C[C@H](CO)NC(=O)C[C@@H]1CCC(=O)[C@H]1C 290742899 ZRYVRWTYNGNDKX-LPEHRKFASA-N 225.288 0.655 30 20 BCED C=C[C@@H](CO)NC(=O)N[C@H](C)Cn1ccnc1 290746339 XTHLFOAAZFKFNQ-ZJUUUORDSA-N 238.291 0.118 30 20 BCED C=C[C@](C)(O)CC(=O)N1C[C@H](O)C(C)(C)C1 290795196 DNMZUIDDDGVGFM-CABZTGNLSA-N 227.304 0.543 30 20 BCED C#CCONC(=O)CCNC(=O)OC(C)(C)C 291230005 KFVFKJMNGSURNA-UHFFFAOYSA-N 242.275 0.582 30 20 BCED C#CCONC(=O)c1cccc(OC)c1OC 291344598 WJPIRFZBEDVBKJ-UHFFFAOYSA-N 235.239 0.998 30 20 BCED C=CCCS(=O)(=O)NC[C@@H](O)CC 291611905 BFJGQYHLISVDMC-QMMMGPOBSA-N 207.295 0.253 30 20 BCED Cn1ccnc1CNC(=O)CCCC#N 291776721 WJTQPJPZTJFJPV-UHFFFAOYSA-N 206.249 0.730 30 20 BCED C=CCN(CCC#N)C(=O)c1ccnn1C 292237986 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C#CCCCNc1nccn2nnnc12 308814717 DSZDNWYAWBBUGN-UHFFFAOYSA-N 202.221 0.345 30 20 BCED C#C[C@H](NC[C@H]1CCOC1)[C@H]1CCCO1 308824675 HRNYCLRODWBCKQ-GRYCIOLGSA-N 209.289 0.793 30 20 BCED C=CCOCC(=O)NC[C@H](C)CNC 308859197 XRWBJCSECSDUJS-SECBINFHSA-N 200.282 0.161 30 20 BCED CC#CCNC1(CO)COC(C)(C)OC1 309005310 POAOWAVVNNAAKG-UHFFFAOYSA-N 213.277 0.113 30 20 BCED N#Cc1cc(NC[C@H]2CC[C@@H](N)C2)ncn1 309449713 PSHICVKUJGYRFE-DTWKUNHWSA-N 217.276 0.888 30 20 BCED N#Cc1ccc(NCC(=O)NC2CC2)nn1 309599190 VWQLPWXJOGLWSE-UHFFFAOYSA-N 217.232 0.039 30 20 BCED Cn1nncc1/C(O)=N/C[C@H]1CCCC1=O 329856597 YHYIKWYHNFTHQZ-SSDOTTSWSA-N 222.248 0.489 30 20 BCED O/C(=N/C[C@@H](O)C1CC1)c1cnn2ncccc12 329936798 RUELGLQRJXCLOO-LLVKDONJSA-N 246.270 0.805 30 20 BCED Cn1nnnc1C/N=C(/O)[C@H]1CCCCS1 330095255 VDQIEGLIJBWZJC-SSDOTTSWSA-N 241.320 0.952 30 20 BCED C[C@H](O)C/N=C(/O)c1ccc2nncn2c1 330438922 CLMOFVYYBUQEQX-ZETCQYMHSA-N 220.232 0.415 30 20 BCED CC(C)c1cc(C(=O)N2CC(O)(CC#N)C2)on1 331513617 LGQZXTWYKCCOBI-UHFFFAOYSA-N 249.270 0.899 30 20 BCED C[C@@H](C#N)C(=O)N1CCOC[C@]12CCOC2 331567425 GWKSRMQUSDETDE-GXSJLCMTSA-N 224.260 0.164 30 20 BCED C[C@@H](C(=O)N(CC#N)C1CC1)n1cncn1 331940130 RQBPTZOEQWTSFG-QMMMGPOBSA-N 219.248 0.354 30 20 BCED CC[C@@](C)(C#N)C(=O)N[C@H]1C[C@@](C)(O)C1 331995672 BBYUUVBJFAMKRD-INTQDDNPSA-N 210.277 0.956 30 20 BCED C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[C@H]1C 332046580 MLKVBXUUNMDFKX-OPRDCNLKSA-N 245.348 0.663 30 20 BCED N#CCCCCS(=O)(=O)N1CCCOCC1 332052285 WENYHDSKSAHZDF-UHFFFAOYSA-N 246.332 0.732 30 20 BCED COCC[C@@](C)(O)CNC(=O)C1(C#N)CCC1 332078793 YEYSBNRRLKBYLZ-LLVKDONJSA-N 240.303 0.584 30 20 BCED C[C@@H](C#N)NC(=O)CS(=O)(=O)C(C)(C)C 332507411 LCEHISWECYKWJQ-ZETCQYMHSA-N 232.305 0.228 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](O)C[C@@H]1C 334072771 IAMLQJOVBJGICF-ZDCRXTMVSA-N 240.303 0.495 30 20 BCED C=CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 334144394 XRQSIPAJWGYSIU-ZJUUUORDSA-N 211.309 0.954 30 20 BCED CN(CC#N)C(=O)[C@@H]1CCCN1C1CC1 336107477 UVVDJAKCMGAFPH-JTQLQIEISA-N 207.277 0.595 30 20 BCED Cc1nccn1CCNC(=O)[C@H](C)C#N 336695245 NVCADWACVUQCKL-MRVPVSSYSA-N 206.249 0.467 30 20 BCED CSCC[C@H](O)C(=O)N[C@H](C#N)C(C)C 343670488 PXQNVQKTOVASNJ-BDAKNGLRSA-N 230.333 0.765 30 20 BCED C=CC[C@@H](C)NC(=O)[C@H]1CN2CCCN1CC2 343678339 XIBRAPPIPNDRBA-VXGBXAGGSA-N 237.347 0.457 30 20 BCED CC[C@H](CC#N)NC(=O)[C@@H]1CCc2nncn2C1 346718212 IOLRQEWEBIIHPW-NXEZZACHSA-N 247.302 0.649 30 20 BCED Cn1c(C(=O)N(CC#N)CC#N)ccc1[N+](=O)[O-] 346775262 KIWBKFZTVGWAJB-UHFFFAOYSA-N 247.214 0.423 30 20 BCED C=CCNC(=O)CNC(=O)c1ncoc1C 347887344 BFWPRDSZLPVZOX-UHFFFAOYSA-N 223.232 0.015 30 20 BCED C=CCOCCCN[C@]1(C(=O)OC)CCOC1 348024801 ARGVAJMNEMAIMD-GFCCVEGCSA-N 243.303 0.501 30 20 BCED C[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@@H]1O 350943521 QGHLEGLOKYPVLN-UWVGGRQHSA-N 246.332 0.323 30 20 BCED C[C@@H](CCC#N)N1CCN2C(=O)NC[C@H]2C1 351473706 WAIKIFMLRYKYPL-UWVGGRQHSA-N 222.292 0.388 30 20 BCED C=CCOCCCC(=O)N1C[C@H](O)C[C@H]1C 351804924 HVONUBICSLLKBF-GHMZBOCLSA-N 227.304 0.951 30 20 BCED 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0.369 30 20 BCED Cc1cc(CNC(=O)NC[C@@H](C)C#N)n[nH]1 611623726 MHELSSOCXDVLGA-ZETCQYMHSA-N 221.264 0.677 30 20 BCED N#CCCCNC(=O)NCC1(CO)CC1 612380061 RLDIOWXLFKVVHO-UHFFFAOYSA-N 211.265 0.362 30 20 BCED C=C[C@@H](O)C(=O)N[C@H]1CCCc2nn(C)cc21 614542097 LHDZZKRNVSOLNM-GXSJLCMTSA-N 235.287 0.461 30 20 BCED Cc1noc(CN2CC[C@@](F)(C#N)C2)n1 615642608 ZNFPBZYUEDBSKO-SECBINFHSA-N 210.212 0.816 30 20 BCED CCOC(=O)[C@](C)(O)CN1CC[C@](F)(C#N)C1 615644596 KGOIFYZLSJVSSA-MNOVXSKESA-N 244.266 0.238 30 20 BCED N#C[C@]1(F)CCN(C(=O)c2cc[nH]n2)C1 615662267 UNUWZSUUHJTAFK-SECBINFHSA-N 208.196 0.487 30 20 BCED CCC(=O)N[C@@H](C)C(=O)N1CC(C)(C#N)C1 619510550 GOMVAMHLBBIVFE-QMMMGPOBSA-N 223.276 0.273 30 20 BCED C=C(C)CS(=O)(=O)NCc1cnc[nH]1 625301799 XVMONZFJKXCUJL-UHFFFAOYSA-N 215.278 0.405 30 20 BCED C=CCCn1cc(C(=O)N2C[C@H](N)C[C@@H]2C)nn1 638929400 OWLBUHPEPROSGT-VHSXEESVSA-N 249.318 0.416 30 20 BCED COCC#CCN1CCC[C@H](n2ccnn2)C1 644947766 AUGUCNAFPBJCGR-LBPRGKRZSA-N 234.303 0.565 30 20 BCED C=CCOCCNC(=O)N[C@@H](CO)CC#CC 645420682 PHUBVUCJGWXWOD-LLVKDONJSA-N 240.303 0.263 30 20 BCED C=C[C@@H](O)C(=O)NC1Cc2ccccc2C1 646957973 YIJYMXKJSFXEGK-GFCCVEGCSA-N 217.268 0.817 30 20 BCED C=CCn1cc(C(=O)N(C)C[C@H](C)OC)nn1 648392011 MLCGWRHSANACOL-VIFPVBQESA-N 238.291 0.571 30 20 BCED C=CCn1cc(C(=O)N2CC(CC)C2)nn1 648926544 DHSNCKANNWQFSO-UHFFFAOYSA-N 220.276 0.946 30 20 BCED CC#CC[C@@H](CO)NC(=O)Cc1ccncc1 649190721 CGZIMWATBWEZJS-LBPRGKRZSA-N 232.283 0.515 30 20 BCED C=C(C)CS(=O)(=O)N(C)[C@@H](CC)C(=O)O 650236115 BXLZYCSMUPVUHF-QMMMGPOBSA-N 235.305 0.687 30 20 BCED C=C[C@H](CO)NCc1cnc2n1CCC2 657794817 XCCRTMSDPZVAFD-SECBINFHSA-N 207.277 0.466 30 20 BCED C=CCC[C@H](CO)N[C@@H](C)Cn1cncn1 658032674 VZGWQPNOXBOIIM-WDEREUQCSA-N 224.308 0.583 30 20 BCED C=C[C@@](C)(O)C(=O)N(CCO)Cc1ccccc1 666188936 POTVEVHGSXRDND-CQSZACIVSA-N 249.310 0.945 30 20 BCED C=C[C@@H](O)C(=O)N1CC[C@@H](N2CCCCC2)C1 668443289 YIHRCIWQRUPSQX-VXGBXAGGSA-N 238.331 0.620 30 20 BCED CN1CCN(Cc2ccc(C#N)cc2)C[C@@H]1CO 687593997 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0.108 30 20 BCED N#CCn1cc(NC(=O)[C@@H]2CCCOC2)cn1 727733321 ZPHZROASTNHTQX-SECBINFHSA-N 234.259 0.772 30 20 BCED C#Cc1ccc(C(=O)NCCn2cccn2)cn1 728962630 KARVNMOTVCQLAH-UHFFFAOYSA-N 240.266 0.689 30 20 BCED C=CCCO[C@@H](C)C(=O)NCC[S@@](C)=O 730093525 CESRXPHMRGOTRO-BJOHPYRUSA-N 233.333 0.462 30 20 BCED N#Cc1ccc(C(=O)OCC(=O)NC2CC2)nc1 730891123 JWDHTOCOMURQJA-UHFFFAOYSA-N 245.238 0.389 30 20 BCED CC1=C(C(=O)NC[C@@H](C)C#N)C(=O)OC1(C)C 732111303 IAWKERYWCGPQOQ-ZETCQYMHSA-N 236.271 0.914 30 20 BCED CC(C)[C@@H]1CC(=O)N(CN(C)CC#N)C1 733295426 LHRNAWILKNPWBJ-SNVBAGLBSA-N 209.293 0.904 30 20 BCED Cc1nonc1CN1CCO[C@H](C#N)C1 734148758 KNYJUYGJXCGREJ-MRVPVSSYSA-N 208.221 0.102 30 20 BCED N#C[C@@H](NC(=O)CCSCC(=O)O)C1CC1 739074468 JYUWRFFURZRLDB-MRVPVSSYSA-N 242.300 0.613 30 20 BCED C#CCCCNc1nc(O)c2cnn(C)c2n1 742422898 QRKXKFLAYDAREA-UHFFFAOYSA-N 231.259 0.894 30 20 BCED C=CCCOCC(=O)N(C)c1cn[nH]c1 748390428 QETOTWGYSKAHLL-UHFFFAOYSA-N 209.249 0.965 30 20 BCED C[C@H]1CN(C(=O)CN(CC#N)C2CC2)CCO1 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AXSQJCDYCLNDIN-QMMMGPOBSA-N 242.286 1.563 30 20 BCED N#Cc1ccc(N2C[C@H]3CC[C@@H](O)C[C@H]3C2)nn1 596353146 JPHGFIOFWVSESK-JFGNBEQYSA-N 244.298 0.945 30 20 BCED CCN(C(=O)c1ccc(=O)n(CC)n1)[C@@H](C)C#N 598360922 XZUKMZRLXUKFPA-VIFPVBQESA-N 248.286 0.637 30 20 BCED COC[C@H](OC)C(=O)N(C)[C@H](C)C#N 598844228 OZDYRNVSWVZAIQ-SFYZADRCSA-N 200.238 0.018 30 20 BCED COc1cc(C(=O)N(C)CC#N)sn1 599227002 NEPODXJLAOKEMR-UHFFFAOYSA-N 211.246 0.747 30 20 BCED COCCNCCNCc1ccc(C#N)o1 600770387 YCNXAJKNOHWUCH-UHFFFAOYSA-N 223.276 0.477 30 20 BCED N#Cc1cccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)n1 602672960 SVWUPZGSTNWAKK-ITGUQSILSA-N 229.283 0.623 30 20 BCED CCNc1ccc(C#N)cc1CS(N)(=O)=O 603268028 QEMWRMGQOZREHY-UHFFFAOYSA-N 239.300 0.779 30 20 BCED C=CCCOCC(=O)N(C)c1cnn(C)c1 607839295 ORRDJVZGIOYYQT-UHFFFAOYSA-N 223.276 0.976 30 20 BCED CC(C)(C)CC(=O)NCC(=O)NC1(C#N)CC1 609989869 VJOLVGMTELGZMA-UHFFFAOYSA-N 237.303 0.711 30 20 BCED C=C[C@](C)(O)C(=O)NCCC[C@H](O)CC 611703113 XWFFVZDHPUDUNW-KOLCDFICSA-N 215.293 0.591 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](C)Cc1ccncc1 612008075 MSPPJVGTJYTPEB-ONGXEEELSA-N 220.272 0.676 30 20 BCED C=C[C@@](C)(O)C(=O)N1CCC[C@](C)(O)C1 613169238 OXFUVUMHXRKFNC-WDEREUQCSA-N 213.277 0.297 30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@](C)(OC)C1 614239483 FQFAIMVJRITFLB-KOLCDFICSA-N 213.277 0.561 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@H](C)CCOC 616259285 QZXVTADYJBORRQ-MWLCHTKSSA-N 215.293 0.712 30 20 BCED C=CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O 617614208 RHDCFHMYVBNTIH-MRVPVSSYSA-N 224.260 0.216 30 20 BCED C=C[C@H](C(=O)OC)N1CCC[C@@H](OCCO)C1 619718092 WZTKISFALLTOTE-GHMZBOCLSA-N 243.303 0.187 30 20 BCED C=CCN1CC[C@H](N(CC)CCN)C1=O 629558027 OGZMQLCODFRZNQ-JTQLQIEISA-N 211.309 0.054 30 20 BCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1O 634415416 SFSUQSPAHVIXRN-RCWTZXSCSA-N 225.288 0.607 30 20 BCED C=CC[C@H](CC)NC(=O)c1cc(=O)n(C)cn1 635891485 LKSPKCNUHDTFBL-VIFPVBQESA-N 235.287 0.865 30 20 BCED C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2 638922238 ARAGYXAXCNBUEI-SDDRHHMPSA-N 238.331 0.930 30 20 BCED C=CCCOCC(=O)N[C@H]1CC[C@@H](CN)C1 647082875 PVUOTGXPWFHFBG-MNOVXSKESA-N 226.320 0.823 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)Cc1ccn(CC)n1 650072183 MUHMMVZFPSFQSM-NEPJUHHUSA-N 249.314 0.905 30 20 BCED COCC#CCN1CC(C)(C)[C@@H]2COC[C@@H]21 650348069 CUMYPDKOOYKCHR-NEPJUHHUSA-N 223.316 0.993 30 20 BCED C=CCNC(=O)CN(C)CC1=CCCOC1 661655975 AWGDOCHPCSBJIX-UHFFFAOYSA-N 224.304 0.567 30 20 BCED C=CCCNC(=O)N1C[C@@H](O)C[C@@H](C)C1 665941314 WYCRIJZCZIVMAC-ZJUUUORDSA-N 212.293 0.975 30 20 BCED C=CCCOCC(=O)NC[C@H]1CC[C@H](O)C1 682812948 GJOSTLKAQQZNES-QWRGUYRKSA-N 227.304 0.856 30 20 BCED CC#CCCN1C(=O)[C@H](COCC)N(C)C1=O 684549687 YERDPBYDDSPUCF-JTQLQIEISA-N 238.287 0.699 30 20 BCED C=C[C@@H](C(=O)OC)N(CC)CCS(C)(=O)=O 688571519 VANNPSPOFLORNX-VIFPVBQESA-N 249.332 0.081 30 20 BCED CC(C)OC(=O)CNC(=O)[C@@H](N)CCCC#N 691632773 SUPSKPCRUVDCFJ-VIFPVBQESA-N 241.291 0.075 30 20 BCED C#CC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 692892104 MYWNHSXBCLFDFV-LBPRGKRZSA-N 237.347 0.008 30 20 BCED C[C@@H](CC(=O)O)NC(=O)N1CCC[C@H](C#N)C1 694600940 DKESFLQNMHKLEL-DTWKUNHWSA-N 239.275 0.795 30 20 BCED Cn1nc(C(=O)N2CCC[C@@H](C#N)C2)ccc1=O 701277439 ICXHEFGYLYOOMX-VIFPVBQESA-N 246.270 0.156 30 20 BCED C#CCCCN1CC[C@](OC)(C(=O)O)C1 703776139 JLDPTXBRVPHTCG-LLVKDONJSA-N 211.261 0.575 30 20 BCED CC[C@H]1NCC[C@@H]1Nc1cncc(C#N)n1 704675034 XXTVQTYBCRFRQE-ZJUUUORDSA-N 217.276 0.901 30 20 BCED CN1C[C@H]2CN(c3nccc(C#N)n3)C[C@@H]2C1 706240374 HDOWYCQKDYMINA-UWVGGRQHSA-N 229.287 0.346 30 20 BCED C#CCCCS(=O)(=O)N[C@@H]1CO[C@@H](C)C1 710226363 BFQXMTXSYIFRLG-UWVGGRQHSA-N 231.317 0.497 30 20 BCED C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)co1 710592525 RYLUDGFGKBBMJG-ZCFIWIBFSA-N 243.240 0.278 30 20 BCED C=C(CC)CN(CCC(=O)OC)CC(=O)O 715763433 QYJAMSMUBXMCDW-UHFFFAOYSA-N 229.276 0.902 30 20 BCED C#CC[C@H](CO)Nc1cc(C)nc(C)n1 717783035 HRWJSRRWQRNQQX-SNVBAGLBSA-N 205.261 0.890 30 20 BCED C#CCC[C@@H](O)CNc1nc(C)cc(C(=O)O)n1 717903035 GMKCRODZPJNRLK-SECBINFHSA-N 249.270 0.669 30 20 BCED CN(c1cc(C#N)ncn1)C1(CN)CCOCC1 725001376 GIQWRRHRRRBGGT-UHFFFAOYSA-N 247.302 0.292 30 20 BCED Cn1[nH]nnc1=NCc1ccc(OCC#N)cc1 730805670 VHZPIQQQQDCVHZ-UHFFFAOYSA-N 244.258 0.146 30 20 BCED CC[C@]1(C)NC(=O)N(N=Cc2ncc[nH]2)C1=O 731150653 FLPYOSRNQRRIFU-JTQLQIEISA-N 235.247 0.464 30 20 BCED C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 733858318 PVXYTLNVNAYOGU-VPOLOUISSA-N 248.282 0.565 30 20 BCED CN(CC#N)C(=O)CCCn1ccccc1=O 735039364 FQEROQACAIEIEL-UHFFFAOYSA-N 233.271 0.610 30 20 BCED C=CCNC(=O)NCc1cc(CC)[nH]n1 735888001 YHDMUUSABYDHEL-UHFFFAOYSA-N 208.265 0.957 30 20 BCED C#CCCOC(=O)CCCN(C)C(=O)O 736076171 BIVHTMKXDNKXPL-UHFFFAOYSA-N 213.233 0.943 30 20 BCED C=CCCO[C@@H](C)C(=O)N(CC#N)CC(=O)O 736102486 KSFIHUYJQWXYDI-VIFPVBQESA-N 240.259 0.404 30 20 BCED CN(CC(=O)Nc1ccc(C#N)cn1)C(=O)O 737395028 NSDYRVQANRZAMQ-UHFFFAOYSA-N 234.215 0.502 30 20 BCED C#CCCCNC(=O)NCc1cc(C)[nH]n1 743691151 UKGKMPIZRFBSBW-UHFFFAOYSA-N 220.276 0.931 30 20 BCED C=CCNC(=O)[C@@H](C)OC(=O)C1(O)CCCC1 744738239 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N#Cc1ccc(NC(=O)NOCCO)cc1 776296088 ZNZWVWWZMKGXLZ-UHFFFAOYSA-N 221.216 0.604 30 20 BCED C#Cc1ccc(C(=O)N2CCC[C@H]2CO)nc1 779029401 FHZXOXMGWSZKHX-NSHDSACASA-N 230.267 0.660 30 20 BCED Cn1cncc1C=NN[C@H]1CCCOC1 780250170 HDWIKNJJCRLMHF-VIFPVBQESA-N 208.265 0.523 30 20 BCED C#Cc1ccc(C(=O)NCCn2ccnn2)cn1 782493535 PXQFQAKRDMNNLO-UHFFFAOYSA-N 241.254 0.084 30 20 BCED Oc1ccc(C=NN[C@H]2CCOC2)c(O)c1O 788439512 KNGIHMBQDIIVNK-QMMMGPOBSA-N 238.243 0.516 30 20 BCED NC(=O)CON=CCC1CCOCC1 788725769 OKLGULZEHZCXNL-UHFFFAOYSA-N 200.238 0.291 30 20 BCED C#CCOCCNC(=O)[C@@H](OC)C1CC1 791708011 NEUNPCRZONUIJW-JTQLQIEISA-N 211.261 0.177 30 20 BCED CC[C@](C)(C#N)C(=O)OCCCNC(C)=O 796975386 BJBZSYSPWLUYCQ-LLVKDONJSA-N 226.276 0.996 30 20 BCED CC#CCS(=O)(=O)NC(=O)C[C@H](C)CC 798203236 WHLBLIHWYGDZFD-SECBINFHSA-N 231.317 0.892 30 20 BCED C#Cc1cncc(C(=O)NCCCNC(C)=O)c1 798279760 TZABRBDUWDUTCY-UHFFFAOYSA-N 245.282 0.319 30 20 BCED C#CCN(CC#N)C(=O)c1cccc(OC)n1 798804658 IUNNKSBVSKPFGN-UHFFFAOYSA-N 229.239 0.689 30 20 BCED C[C@@H](C#N)OCCN1CCC[C@]12CCOC2=O 801945687 JBAXCMIGOFSBOW-CMPLNLGQSA-N 238.287 0.697 30 20 BCED CC1(C)COC(=O)[C@H]1NC(=O)c1cc(C#N)c[nH]1 808105975 UOHJZMPDVCSYKP-SECBINFHSA-N 247.254 0.568 30 20 BCED N#CC[C@@H](O)CN1CCCN(CC(F)F)CC1 809576952 UCGXGFSFPVYPFY-SNVBAGLBSA-N 247.289 0.534 30 20 BCED COC(=O)CN(CC#N)Cc1oc(C)nc1C 809952268 RKEYFZBUHBOQTF-UHFFFAOYSA-N 237.259 0.790 30 20 BCED C#Cc1ccccc1CC(=O)NCCCC(N)=O 810132504 OVANWFLASKULTC-UHFFFAOYSA-N 244.294 0.592 30 20 BCED N#CCCCCCC(=O)NOCCO 813525231 OTWQMYGEVDKPCO-UHFFFAOYSA-N 200.238 0.501 30 20 BCED C#CCC[C@@H](O)CNC(=O)c1ccc(C#N)o1 814127679 MIONZPOCAZASHS-SECBINFHSA-N 232.239 0.655 30 20 BCED C=C[C@@H](O)C(=O)OCc1cc(C(=O)OC)co1 814546050 ZHBJPOOECZMISV-SECBINFHSA-N 240.211 0.656 30 20 BCED C=C[C@@H](O)C(=O)OCc1nnc(OCC)s1 814550954 PKJJFEFADQGNIK-ZCFIWIBFSA-N 244.272 0.527 30 20 BCED CSCc1cnc(C=NOCC(N)=O)s1 814893549 VYBHFPOBDPAHMN-UHFFFAOYSA-N 245.329 0.842 30 20 BCED C#C[C@H](C)NC(=O)NC[C@H](O)C(F)(F)F 820412709 OQFHLYSFONOTKS-WDSKDSINSA-N 224.182 0.231 30 20 BCED COCCCOC(=O)[C@](C)(C#N)CC(=O)O 820715122 OKXBYFVKUFKDAT-JTQLQIEISA-N 229.232 0.571 30 20 BCED C=CCN(C)C(=O)NCc1nn(CC)nc1C 823757803 UZFYJAABHUHYPF-UHFFFAOYSA-N 237.307 0.934 30 20 BCED C#CCO[C@H](C)C(=O)N[C@H](C)c1cnccn1 824238840 IXVBJOFKQOTXLQ-NXEZZACHSA-N 233.271 0.692 30 20 BCED C#CCO[C@@H](C)C(=O)N1CCOC2(CCC2)C1 827583574 KCLAJMNGUYBYDG-NSHDSACASA-N 237.299 0.806 30 20 BCED CC#CC[C@H](CO)NC(=O)OC[C@@H]1CCCO1 828395097 FZVYFPGHTIWPPS-MNOVXSKESA-N 241.287 0.666 30 20 BCED C#CCO[C@@H](C)C(=O)NOCCOCC 828822713 NQOGFHULBJLDHI-VIFPVBQESA-N 215.249 0.109 30 20 BCED CC#CCCNC(=O)[C@@H](NC(=O)O)C(C)C 833380460 FVPKGVRSWZMDEM-VIFPVBQESA-N 226.276 0.808 30 20 BCED CC(C)(O)CONC(=O)c1ccc(C#N)[nH]1 834621687 ITYZXXLKLXBJTN-UHFFFAOYSA-N 223.232 0.319 30 20 BCED COCCON=C1CCN(OC)CC1 834962474 ICIQXAYKAUIIIG-UHFFFAOYSA-N 202.254 0.663 30 20 BCED CC(=NNC1=NC[C@@H](C)N1)[C@H]1C[C@H]2CC[C@H]1O2 834969209 GBZIJWGAKRINDP-QCNRFFRDSA-N 236.319 0.867 30 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232.287 0.521 30 20 BCED CN1CC[C@@H](N(C)Cc2cccc(C#N)n2)C1=O 602472430 HYFAVZFKSAERKL-GFCCVEGCSA-N 244.298 0.616 30 20 BCED COC[C@H](O)CNC[C@@H](C)CCC#N 602656497 YSNGJWUQXOODMS-VHSXEESVSA-N 200.282 0.523 30 20 BCED C=C[C@H](C(=O)OC)N1CCC[C@](O)(CC)C1 602983572 NFCBPVQLXXZVAQ-ZYHUDNBSSA-N 227.304 0.951 30 20 BCED Cc1cc(NC(=O)[C@H](C)N(C)C)n(CCC#N)n1 610560081 ZAYBRMYDPXKIRH-JTQLQIEISA-N 249.318 0.994 30 20 BCED C=C[C@@](C)(O)C(=O)N1CCC[C@@H](CC(N)=O)C1 611813105 MOQUAEDXIOJQNQ-JOYOIKCWSA-N 240.303 0.037 30 20 BCED C=C[C@H](O)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 612649917 OOGVHZBCXDUNDK-SRVKXCTJSA-N 238.331 0.476 30 20 BCED C=C(C)CN(C)C(=O)c1ccn2nnnc2c1 613305249 PMYTVWBXCMBFCK-UHFFFAOYSA-N 231.259 0.772 30 20 BCED C=C[C@@H](O)C(=O)N[C@@H](C)CN(C)CCCC 614961024 REWYXYOEWIMWTP-WDEREUQCSA-N 228.336 0.770 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](C)c1nccc(N)n1 615712591 GWNHRRDUMKWDAS-CPCISQLKSA-N 236.275 0.173 30 20 BCED C=C[C@H](O)C(=O)N1CC2(CCOCC2)C[C@@H]1C 616490808 BLVMGUQDCODSPC-QWRGUYRKSA-N 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NCc1cccc(C#CCn2ccnc2)n1 585145266 KAJRYQXCEMMENV-UHFFFAOYSA-N 212.256 0.789 30 20 BCED Cc1nnsc1C(=O)N1CC(C#N)C1 590487504 LLUOFABRWCYFCQ-UHFFFAOYSA-N 208.246 0.442 30 20 BCED Cn1ncc2c1C[C@@H](C(=O)N1CC(C#N)C1)CC2 590488858 XBHDVQJLDWUHLK-JTQLQIEISA-N 244.298 0.507 30 20 BCED N#Cc1ccc(OCC(=O)N[C@H]2CCNC2)cc1 593903892 GFLDOWIDYHRNOB-NSHDSACASA-N 245.282 0.415 30 20 BCED C[C@H](C#N)C(=O)NCc1nnn(C(C)(C)C)n1 594398335 QYUMOYSEVXYJLG-SSDOTTSWSA-N 236.279 0.204 30 20 BCED C=CCCNC[C@H](O)CN(C)CCC#N 594718226 KZMTYIUBPPAEDQ-NSHDSACASA-N 211.309 0.358 30 20 BCED CNC[C@@H](C)NC(=O)NCc1ccc(C#N)cc1 595261767 CVJIRDVFRPBESZ-SNVBAGLBSA-N 246.314 0.965 30 20 BCED CN(CCC(=O)N(C)CCC#N)Cc1cnc[nH]1 595593717 YIAIKGXMRVWQSI-UHFFFAOYSA-N 249.318 0.604 30 20 BCED Cn1ncc(C#N)c1N1C[C@@H](O)C(C)(C)C1 596217127 NOMNRGICDMQMCU-SECBINFHSA-N 220.276 0.499 30 20 BCED COC(=O)[C@H]1C[C@H](Nc2cc(C#N)ncn2)C1 596554913 XUUVOTXBDJHOAN-ZKCHVHJHSA-N 232.243 0.712 30 20 BCED C[C@H](C#N)N(C(=O)c1nccnc1N)C1CC1 598128353 IVBIWOOQSXXDOS-SSDOTTSWSA-N 231.259 0.575 30 20 BCED C[C@@H](C#N)N(C(=O)c1cc2n(n1)CCO2)C1CC1 598135435 VIQPOEPGYYLMGG-QMMMGPOBSA-N 246.270 0.792 30 20 BCED CC[C@@H](C#N)N(C)C(=O)c1ccn2nnnc2c1 598849890 MWQFQZGRQILBTG-VIFPVBQESA-N 244.258 0.498 30 20 BCED CCC(O)(CC)CN(C)CC(=O)NCC#N 599673406 MYSKSBGDSVKJIL-UHFFFAOYSA-N 227.308 0.109 30 20 BCED CN(CCOCCN)Cc1ccc(C#N)cc1 600735621 MQPGKNQSKBHGPR-UHFFFAOYSA-N 233.315 0.965 30 20 BCED N#CC1(NC(=O)CCC2(O)CCC2)CC1 601180236 KTYFFMFQVKSVMX-UHFFFAOYSA-N 208.261 0.854 30 20 BCED CC1(C)CNC(=O)[C@@H]1Nc1ncccc1C#N 601195763 BTNXOTJOZSRHKL-VIFPVBQESA-N 230.271 0.890 30 20 BCED N#C[C@@H]1COCCN1C(=O)CCC1(O)CCC1 601246277 OSDMJHBQCVKNNU-SNVBAGLBSA-N 238.287 0.433 30 20 BCED C[C@H](CC#N)N(C)S(=O)(=O)CCCN(C)C 601336575 FBYKBVMGKFSZNN-SNVBAGLBSA-N 247.364 0.502 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2C[C@@H](CO)C2)C1 602327994 MLRMPXYRAJOTDE-UKKRHICBSA-N 237.303 0.749 30 20 BCED C[C@@H](C#N)N(C)C(=O)c1ccnc2ccnn12 602341573 UUWCXMFACOEPAK-QMMMGPOBSA-N 229.243 0.713 30 20 BCED N#Cc1cccc(CN2CCC[C@H](O)C2)n1 602427790 BMVZZPNYTXEKIN-LBPRGKRZSA-N 217.272 0.910 30 20 BCED CCCCNC(=O)NC(=O)CN[C@H](C)CC#N 602862923 MUPWHLBBJNBLQY-SECBINFHSA-N 240.307 0.504 30 20 BCED C[C@H](CC#N)NC[C@@H](O)CN(C)C1CC1 602871942 YSRRWMXZWNHGDS-MWLCHTKSSA-N 211.309 0.333 30 20 BCED CCOCC(=O)Cn1ccc(C#N)cc1=O 603347417 KKUFWOYQIKKQIL-UHFFFAOYSA-N 220.228 0.326 30 20 BCED C=CCCOCC(=O)NC[C@@](C)(O)COC 608479999 RSGPHDVJJAJXLT-LLVKDONJSA-N 231.292 0.093 30 20 BCED Cc1cc(CNC(=O)NC[C@H](C)C#N)ncn1 611626503 CUBZUBYJSWCOJB-MRVPVSSYSA-N 233.275 0.744 30 20 BCED C=C[C@@H](O)C(=O)Nc1cn(C)c(=O)cc1C 611795447 RMZMDNODJNLMPI-SECBINFHSA-N 222.244 0.179 30 20 BCED C=C[C@](C)(O)C(=O)NCCC(O)(CC)CC 613879763 HQXQUIIBQORDJT-NSHDSACASA-N 229.320 0.981 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@H](C)[C@@H](C)OC 615049258 UKYVGGDNCOSXTN-NQMVMOMDSA-N 201.266 0.463 30 20 BCED N#C[C@@]1(F)CCN(C(=O)C[C@@H]2CCOC2)C1 615583277 PKGAUDXSJPIUAV-ONGXEEELSA-N 226.251 0.877 30 20 BCED C=C[C@H](O)C(=O)NC[C@@H]1CCOC(C)(C)C1 616182053 CTMZGQQIBZAOIE-ZJUUUORDSA-N 227.304 0.855 30 20 BCED C=C[C@H](O)C(=O)N[C@@H]1CCCC[C@H]1F 616281481 KGCBTZIRFFRQPI-HLTSFMKQSA-N 201.241 0.930 30 20 BCED C=C[C@](C)(O)C(=O)Nc1cccc(OC)n1 616944526 ZVALEBQETIOHID-NSHDSACASA-N 222.244 0.966 30 20 BCED C=C[C@H](CO)NC(=O)Cc1cnccc1C 620591585 BRQNRMIJMBMLPG-LLVKDONJSA-N 220.272 0.596 30 20 BCED C=CCCS(=O)(=O)N1CC[C@H](C)[C@H](CO)C1 621308041 DYNSFMHMCMNWED-QWRGUYRKSA-N 247.360 0.843 30 20 BCED C=C(C)CN(C)C(=O)c1nc(C)nn1C 622034560 LGSAKHSFZGQACH-UHFFFAOYSA-N 208.265 0.772 30 20 BCED C=C(C)CN(C)Cc1c[nH]c(=N)[nH]c1=N 638911062 YLUWZKVVZOCXFO-UHFFFAOYSA-N 207.281 0.310 30 20 BCED COCC#CCN1C[C@@H](CO)OC(C)(C)C1 643253320 KHLXZNDXBHBMLH-NSHDSACASA-N 227.304 0.108 30 20 BCED C=CCNC(=O)CN[C@H]1CCCn2nccc21 657954455 ZKJDLUMZSABGTO-JTQLQIEISA-N 234.303 0.610 30 20 BCED C=CCN(C[C@@H](O)CN(C)CC)[C@H](C)COC 661239767 JBPVWOLAELJWJV-OLZOCXBDSA-N 244.379 0.822 30 20 BCED C=CCN(C[C@@H](O)CN(C)CC)[C@@H](C)COC 661239770 JBPVWOLAELJWJV-STQMWFEESA-N 244.379 0.822 30 20 BCED C=CCN(CCC(=O)O)[C@H](C)COC 661244246 SGTPMDOUJLZLDA-SECBINFHSA-N 201.266 0.984 30 20 BCED C=CCCNC(=O)N[C@H]1CC[C@@H](C(N)=O)C1 661293366 PPTPALHPDLULSL-BDAKNGLRSA-N 225.292 0.516 30 20 BCED C=CCCNC(=O)N[C@H](CO)C(C)C 661570942 UWTOYAUESJFMNN-SECBINFHSA-N 200.282 0.879 30 20 BCED C=C[C@@](C)(O)C(=O)NCCCC(=O)NC1CC1 666552278 MSQNZNWNVPZKMI-GFCCVEGCSA-N 240.303 0.098 30 20 BCED C=C[C@@H](O)C(=O)N1CCC[C@H]1CN1CCCC1 667608292 BSICWPRMBJCSNS-NWDGAFQWSA-N 238.331 0.620 30 20 BCED C=C[C@H](O)C(=O)NC1CCC(NC(C)=O)CC1 667890823 QQLYHZSCPWYZKT-ILDUYXDCSA-N 240.303 0.097 30 20 BCED C=CCC[C@H](NC(=O)c1nccnc1C)C(=O)O 668288964 LSLDKDZXHOKCSM-VIFPVBQESA-N 249.270 0.934 30 20 BCED C=CC[C@@H](C)NC(=O)[C@@H](COC)OC 668854536 HWHDTBXTZYDTCX-RKDXNWHRSA-N 201.266 0.729 30 20 BCED C#CCOCCN(C)C(=O)c1cccnc1 688041716 RGMMXCACKLZEHX-UHFFFAOYSA-N 218.256 0.803 30 20 BCED N#CCCC[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)C2(F)F 715444647 QDBCDYLIDFZBQL-YIZRAAEISA-N 243.257 0.731 30 20 BCED C#CC[C@H](CO)NC(=O)c1cccc(O)c1O 717721644 YYUYJVZNPXYMCD-MRVPVSSYSA-N 235.239 0.212 30 20 BCED C#CCC[C@H](O)CNC(=O)OCCOC 717904695 WPNYAADJWFBQBL-VIFPVBQESA-N 215.249 0.133 30 20 BCED N#Cc1cncc(CN2CCO[C@H](C(=O)O)C2)c1 721583700 GELURSPAKIXOMC-NSHDSACASA-N 247.254 0.239 30 20 BCED N#CCc1ccc(NC(=O)N[C@H]2CNOC2)cc1 722486361 NFVOMQSXUZFKOU-NSHDSACASA-N 246.270 0.778 30 20 BCED C#Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)C)nc1 729013166 ZIFTZWWQUQNIPD-SECBINFHSA-N 246.266 0.696 30 20 BCED Cc1ncc(C(=O)OCC(=O)NCC#N)s1 731243764 CORQZJBKEJKNNJ-UHFFFAOYSA-N 239.256 0.248 30 20 BCED C=CCCOCC(=O)N1CCNC(=O)C1(C)C 732072683 PJYVHYNFGVUVMX-UHFFFAOYSA-N 240.303 0.316 30 20 BCED C#CCOc1ccccc1CN=c1nn[nH]n1C 734144915 GCAJTYGRPJEXLB-UHFFFAOYSA-N 243.270 0.256 30 20 BCED C[C@H](C#N)CNC(=O)CCCn1ccccc1=O 735052062 VHRQURRLQNRIRK-LLVKDONJSA-N 247.298 0.904 30 20 BCED C[C@@H](C#N)C(=O)NC[C@H](O)c1ccccc1 736667138 LJCFMQUQEXDFPC-ONGXEEELSA-N 218.256 0.996 30 20 BCED N#CCN(CC(=O)O)C(=O)c1ccc(C#N)cn1 739087258 KHHJEZVKAWONJD-UHFFFAOYSA-N 244.210 0.004 30 20 BCED N#CCN(CC(=O)O)C(=O)c1ccc[nH]1 739087568 OKIJKRXKTWCXFA-UHFFFAOYSA-N 207.189 0.065 30 20 BCED C=CCCSc1nnc(C)c(=O)n1N 739431944 GUYTYYDGTIVHOR-UHFFFAOYSA-N 212.278 0.329 30 20 BCED C[C@@H]1OCCC1=NNc1ccc(C(N)=O)nn1 747766606 UXVIOHWAOBMGGX-LURJTMIESA-N 235.247 0.152 30 20 BCED C[C@H](C#N)C(=O)NC1CCC(C)(O)CC1 749461559 PJXCVPDZGGTBCY-FKTRJACZSA-N 210.277 0.956 30 20 BCED CC[C@@H](C#N)OC(=O)[C@@H]1CCCN(C(N)=O)C1 753422184 LBBSEQQRHOXFTE-BDAKNGLRSA-N 239.275 0.622 30 20 BCED CC(=Nn1cnnc1)c1cc(O)cc(O)c1 753691740 MYDRDPDFUPUOTL-UHFFFAOYSA-N 218.216 0.962 30 20 BCED C#CC(=O)NCC(=O)N(CC)Cc1ccccc1 753958396 LSSBHUAODHEIKI-UHFFFAOYSA-N 244.294 0.785 30 20 BCED CC(C)N1CC(=Nn2cnnc2)[C@@H](C)C1 754256175 URJJZUNGENFOJI-VIFPVBQESA-N 207.281 0.842 30 20 BCED N#CCCNC(=O)COC(=O)[C@H]1CCSC1 762018257 HUSISDBVMSHRAB-QMMMGPOBSA-N 242.300 0.313 30 20 BCED COCC#CCOC(=O)c1cc(C)no1 762787106 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20 BCED CC(C)(C#N)CC(=O)[C@@H](C#N)C(=O)NC1CC1 786307399 MZYPXACKCUYEOX-SECBINFHSA-N 233.271 0.914 30 20 BCED N#CCOC(=O)Cc1ccccc1CO 787054477 ODJBWWJFJWKHQI-UHFFFAOYSA-N 205.213 0.788 30 20 BCED COC[C@@H](C#N)OC(=O)CC(C)(C)OC 787127555 FPTFKQADVZNPTQ-MRVPVSSYSA-N 215.249 0.883 30 20 BCED C[C@@H](CN1CCCC1=O)NC(=O)NCCC#N 787360241 UXRMERYEQBGWHQ-VIFPVBQESA-N 238.291 0.210 30 20 BCED COc1cccc(C=NN[C@H]2CCOC2)n1 788448377 SLZGMTRBAOAQID-JTQLQIEISA-N 221.260 0.803 30 20 BCED CO[C@@H](C(=O)NCc1ccc(C#N)cn1)C1CC1 791725017 OUEUEWHUKVRNMT-GFCCVEGCSA-N 245.282 0.994 30 20 BCED C=C(C)CNC(=S)N[C@@H](CO)CCOC 798384702 SLVVVAGFCGYENC-SECBINFHSA-N 232.349 0.424 30 20 BCED C=CCN1CC[C@@H](OC(=O)[C@@H](C)OC)C1=O 798602187 SYJQZRZTQFNURZ-RKDXNWHRSA-N 227.260 0.351 30 20 BCED C#CCC[C@@H](O)CNC(=O)[C@H](C)OCCC=C 799078385 GQKMPYVWQUJJRQ-NWDGAFQWSA-N 239.315 0.858 30 20 BCED C#CCC[C@@H](O)CNC(=O)CN(CC)CC 799079537 PTOIOIHESBEKQI-LLVKDONJSA-N 226.320 0.219 30 20 BCED COC(=O)C[C@H]1CCCN1CCO[C@H](C)C#N 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206.205 0.256 30 20 BCED CCCCN/C(N)=N/C[C@@H](O)COCC(C)C 104170423 REVMIJZIVAZODY-LLVKDONJSA-N 245.367 0.724 30 20 BCED Cc1cnn(CCC(=O)N2CCO[C@H](C#N)C2)c1 106044421 BLZSRNYTNKYMAL-LLVKDONJSA-N 248.286 0.333 30 20 BCED Cc1nc(CN2CCO[C@H](C#N)C2)no1 106308713 GYGVVIKQMQZTNJ-MRVPVSSYSA-N 208.221 0.102 30 20 BCED CSCCNC(=O)N1CCO[C@@H](C#N)C1 106337597 LGRZOMGDXXIERB-QMMMGPOBSA-N 229.305 0.283 30 20 BCED CC(C)NC(=S)N1CCO[C@@H](C#N)C1 122749850 DGMIEFJGTFEVFP-QMMMGPOBSA-N 213.306 0.494 30 20 BCED C=C[C@@H](C)NS(=O)(=O)c1cn[nH]c1C 130702249 VPZBLWKJWSXDKJ-ZCFIWIBFSA-N 215.278 0.571 30 20 BCED C=CCS(=O)(=O)NC(=O)[C@H](C)CC 132784887 VCAWFTRSMVZBOM-SSDOTTSWSA-N 205.279 0.665 30 20 BCED C#CCNC(=O)CN1CCc2ccccc2C1=O 135300390 HNMXPZJXLOQZMF-UHFFFAOYSA-N 242.278 0.434 30 20 BCED C#CCOCCC(=O)N(C)[C@H](C)C[S@@](C)=O 135648234 AGPZWEUQPXZUJD-HWPZZCPQSA-N 245.344 0.252 30 20 BCED CCCCOCC(=O)N[C@](C)(C#N)COC 137232934 XGWZOMGKQUFWRD-LLVKDONJSA-N 228.292 0.848 30 20 BCED C[C@@H](CC[S@](C)=O)NC(=O)C1(C#N)CCC1 158678362 OJTVKOALEDUHEG-XXFAHNHDSA-N 242.344 0.954 30 20 BCED Cc1cc(C#N)cc(NC[C@H]2CNCCO2)n1 161791560 MDBQYNPZTGQALY-LLVKDONJSA-N 232.287 0.662 30 20 BCED CC[C@H](CC#N)NS(=O)(=O)NC(C)C 163695388 SVRDDIMECVVPLX-MRVPVSSYSA-N 219.310 0.511 30 20 BCED N#CCCCCNC(=O)c1ccc(C(N)=O)nc1 171592824 WGENEJHDWUEDTR-UHFFFAOYSA-N 246.270 0.604 30 20 BCED C[C@H](CC#N)NC(=O)CS(=O)(=O)C(C)(C)C 179414931 HJGMGSVGANHSAE-MRVPVSSYSA-N 246.332 0.618 30 20 BCED N#Cc1nc(N)n(CCc2cccnc2)c1C#N 179763939 LQAXIZQXOQWVRU-UHFFFAOYSA-N 238.254 0.846 30 20 BCED C=CCNC(=O)CNC(=O)Nc1ccncc1 181477638 BKVAWUWSIHQAJC-UHFFFAOYSA-N 234.259 0.505 30 20 BCED C=CCNC(=O)CNC(=O)CC1CCOCC1 181625432 CYMZDLQKKWWNQD-UHFFFAOYSA-N 240.303 0.222 30 20 BCED C=CCN(CC(=O)O)C(=O)c1cc(OC)no1 191258086 ZYLKCCRBLJVKMZ-UHFFFAOYSA-N 240.215 0.396 30 20 BCED CCN(CCO)CCN[C@H]1CCC[C@H](C#N)C1 193297778 UAYUGOKXBIIAJH-STQMWFEESA-N 239.363 0.973 30 20 BCED CC(C)CN(CCC#N)C(=O)c1ccc(=O)[nH]n1 218126537 CWLSCBGCXGJTIF-UHFFFAOYSA-N 248.286 0.782 30 20 BCED Cn1cnc(CNc2cccc(C#N)n2)n1 218889819 KAXZBEPNIGJQSN-UHFFFAOYSA-N 214.232 0.694 30 20 BCED CC(=O)N[C@@H]1CCN(c2ccnc(C#N)c2)C1 228258779 KHEWGZAERLWDPA-SNVBAGLBSA-N 230.271 0.668 30 20 BCED N#Cc1cc(Cl)cc(S(N)(=O)=O)c1 238618117 JVTWKHQMVYLUMJ-UHFFFAOYSA-N 216.649 0.859 30 20 BCED C[C@@H]1CCN(c2nccc(C#N)n2)C[C@H]1CN 261539742 BJBXPNJVCKHYFO-NXEZZACHSA-N 231.303 0.769 30 20 BCED C=CCC[C@H](NC(=O)[C@@H](C)OC)C(=O)O 262963286 RWEGSUKPTJJZFT-SFYZADRCSA-N 215.249 0.557 30 20 BCED C[C@@H]1CC[C@H](C/N=C(\N)N2CCSCC2)O1 263178254 SZOBHPBRBKMYLD-NXEZZACHSA-N 243.376 0.917 30 20 BCED COC[C@H]1CN(c2cccc(C#N)n2)CCO1 266229427 JBSRLZMIRLYORA-LLVKDONJSA-N 233.271 0.805 30 20 BCED C=CCCS(=O)(=O)N(CC)[C@H]1CCNC1=O 282633972 SVAKMHWAPNTYCB-VIFPVBQESA-N 246.332 0.103 30 20 BCED C=C[C@H](CO)NC(=O)[C@](C)(O)Cc1ccccc1 292585385 GXACDEKEPRCDKF-TZMCWYRMSA-N 249.310 0.643 30 20 BCED C=CCN(CCC#N)C(=O)[C@@H]1CCCCC(=O)N1 292588363 ZCWZKHGWBGQNPQ-NSHDSACASA-N 249.314 0.973 30 20 BCED CC#CCN(C)C(=O)C(=O)Nc1cccnc1C 293420183 KWPDAJHMQNXYFF-UHFFFAOYSA-N 245.282 0.810 30 20 BCED C#CCCCC(=O)N1CCCn2nnnc21 294071258 QMQXYRYLOLZUCZ-UHFFFAOYSA-N 219.248 0.213 30 20 BCED CC(C)[C@@H]1OCC[C@H]1C(=O)NCC#CCO 294448943 YDSFCXKQULDCPI-MNOVXSKESA-N 225.288 0.159 30 20 BCED C#CCO[C@@H](C)C(=O)N(C)C(C)(C)COC 295290342 AOLWYDBUSRTKBP-JTQLQIEISA-N 227.304 0.908 30 20 BCED C[C@@H]1OCCN(c2ccc(C#N)nn2)[C@@H]1C 301918186 DYGCGGGLAPVTQF-BDAKNGLRSA-N 218.260 0.962 30 20 BCED CCN(CC)/C(N)=N/CCNC(=O)C(C)(C)C 303989653 XUFUPCLLZPVGKV-UHFFFAOYSA-N 242.367 0.805 30 20 BCED CCN(CC(=O)NC)c1cc(C#N)nc(C)n1 308191813 OPYLDPYIZZIMPY-UHFFFAOYSA-N 233.275 0.229 30 20 BCED COC(=O)CSc1cc(C#N)ncn1 308559173 WGLYFJSPZUDAPH-UHFFFAOYSA-N 209.230 0.613 30 20 BCED CC[C@@](C)(CO)Nc1ccnc(C#N)n1 308826866 LAMKDDLVZSVOHH-JTQLQIEISA-N 206.249 0.921 30 20 BCED C[C@H]1CN(c2ncncc2C#N)CCN1 308982146 SMTNQEUYISBCGL-QMMMGPOBSA-N 203.249 0.146 30 20 BCED CC1(C)[C@@H](Nc2ccnc(C#N)n2)C[C@H]1O 309372439 PQMIAZZKVNDTOX-JGVFFNPUSA-N 218.260 0.920 30 20 BCED CCOC[C@@H](O)CNC(=O)C1(C#N)CCC1 309448019 PKBIQFSPKAFPRS-VIFPVBQESA-N 226.276 0.194 30 20 BCED C=CCN(CCC(=O)O)[C@@H]1CCS(=O)(=O)C1 309689238 PCIKSIUWPXLHRA-SECBINFHSA-N 247.316 0.136 30 20 BCED C[C@@H]1CN(CCn2cnc(C#N)n2)C[C@@H](C)O1 313794884 KJDAKTIABAXOLZ-NXEZZACHSA-N 235.291 0.259 30 20 BCED C=CCCC[C@H](C)NC(=O)[C@H]1CNC(=O)C1 330695456 UITZTXIYYOHQEZ-VHSXEESVSA-N 224.304 0.984 30 20 BCED C=CC[C@@H](CO)CNC(=O)C1CCOCC1 330708645 RBTLSONXUBITQW-SNVBAGLBSA-N 227.304 0.714 30 20 BCED COc1ccc(CN2CC(=O)N(C)C2)cc1C#N 330893257 LEKGZTVHEYXRKT-UHFFFAOYSA-N 245.282 0.798 30 20 BCED C[C@@H](CO)CSCC(=O)NC1(C#N)CCC1 331968300 BDHAWJYBKIPQJL-VIFPVBQESA-N 242.344 0.910 30 20 BCED CCC1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 332069698 UESZWTYSIXROJB-VIFPVBQESA-N 245.348 0.664 30 20 BCED C=C(C)CS(=O)(=O)N[C@@H]1CO[C@@H](C)C1 335468855 DRBWDJXONQAABJ-IUCAKERBSA-N 219.306 0.659 30 20 BCED COC1CN(C(=O)C2(C#N)CCCC2)C1 335555749 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BCED C#C[C@H](CC)NC(=O)c1cc(C(=O)O)no1 382056621 BPOFQJDAVPPXNP-ZCFIWIBFSA-N 222.200 0.514 30 20 BCED Cn1ncc(C=NNC2CCOCC2)c1N 382147054 OHUHPPVYBSROPX-UHFFFAOYSA-N 223.280 0.105 30 20 BCED COc1ccc(C=NNCC(=O)O)cc1F 382224952 NZSQKCWKBTZINM-UHFFFAOYSA-N 226.207 0.842 30 20 BCED C=CCCS(=O)(=O)N[C@H]1CCC[C@@H]1C(=O)O 390357017 QPXTVBWVMIQBMY-IUCAKERBSA-N 247.316 0.735 30 20 BCED C#C[C@H](CC)NC(=O)c1ccnc(C)n1 396452918 WGCBCILARKNLTF-SECBINFHSA-N 203.245 0.927 30 20 BCED C[C@@H]1C[C@H](CO)CN(S(=O)(=O)[C@H](C)C#N)C1 398662471 ILZWCWMNUWCJGV-BBBLOLIVSA-N 246.332 0.179 30 20 BCED N#CCCCS(=O)(=O)N1CCC(C#N)CC1 408128208 KNACHULRMDAULS-UHFFFAOYSA-N 241.316 0.856 30 20 BCED O=C(NCC#CCO)[C@H]1CC2CCC1CC2 412322490 DNWRRIWNTJEZFV-MCIGGMRASA-N 221.300 0.925 30 20 BCED CCOC1CC(O)(CNc2cncc(C#N)n2)C1 420613848 UGXXUACFLNPPBK-UHFFFAOYSA-N 248.286 0.690 30 20 BCED COC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CC1 424158131 SGNMUIBVIYXDRE-WDEREUQCSA-N 239.319 0.549 30 20 BCED N#CCCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 425190275 QMFNHPTVZRWQEY-VHSXEESVSA-N 241.316 0.902 30 20 BCED Cc1cc(=NC[C@]2(O)CCSC2)c(C#N)c[nH]1 425237956 UBKXJMXBAJJYHF-GFCCVEGCSA-N 249.339 0.964 30 20 BCED C=CCNC(=O)CNC(=O)CC1(C)CC1 430280417 AICHYCSTDKZPPK-UHFFFAOYSA-N 210.277 0.595 30 20 BCED C[C@H](CCO)CNC(=O)NCC1(CC#N)CC1 431204136 SEQMCAHEFZYHKI-SNVBAGLBSA-N 239.319 0.998 30 20 BCED N#Cc1nn(Cc2nn[nH]n2)c2ccccc12 432484779 WYENIPXPKAPHOB-UHFFFAOYSA-N 225.215 0.469 30 20 BCED C=C(C)CN(CC)S(=O)(=O)c1cnnn1C 440066264 XAXOQYBXNJTHCH-UHFFFAOYSA-N 244.320 0.402 30 20 BCED C[C@@H](Oc1ccccn1)C(=O)N(CC#N)CC#N 449827424 UOOSGURGYXEEHN-SNVBAGLBSA-N 244.254 0.725 30 20 BCED C=C(C)CCNC(=O)NC[C@@H]1COCCO1 454347162 SDNHFRBSSSYFMA-SNVBAGLBSA-N 228.292 0.667 30 20 BCED C=C[C@@H](C)NC(=O)N[C@@H]1COC[C@H]1OCC 454660826 HEBXTHFRNJCMJH-OPRDCNLKSA-N 228.292 0.664 30 20 BCED C=CCCCC(=O)N[C@@H](C)CC(=O)NC 456517826 SUBBALDKPCYDHY-VIFPVBQESA-N 212.293 0.984 30 20 BCED C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ncon1 479587435 RIFBHCRERGIPSB-LURJTMIESA-N 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0.653 30 20 BCED C#CCCN1CCN(c2cncc(C#N)n2)CC1 817116814 BRNQUXSJICFNBJ-UHFFFAOYSA-N 241.298 0.494 30 20 BCED N#CC1CN(C(=O)C(F)(F)C2(O)CCCC2)C1 817553601 FWWRLTASILIBMN-UHFFFAOYSA-N 244.241 0.909 30 20 BCED C=C(C)CNC(=S)N1CC[C@H](C(=O)O)C1 817675260 HIORFIVTHCGHLA-QMMMGPOBSA-N 228.317 0.844 30 20 BCED C#C[C@H](C)NC(=O)NCC1(CO)CCCC1 820416204 BSVXPVQFOWPKPH-JTQLQIEISA-N 224.304 0.860 30 20 BCED C=C[C@@](C)(O)C(=O)NCCc1cccnc1 820755246 IGKTZPRLRMOANY-GFCCVEGCSA-N 220.272 0.677 30 20 BCED C#C[C@H](CC)NC(=O)N1CCC[C@H](O)C1 821567936 ZZKWNVJFWKEJBA-ZJUUUORDSA-N 210.277 0.565 30 20 BCED C#CCO[C@H](C)C(=O)N(CC)C[C@H]1CCOC1 822768282 LSJVOXKOODFFBV-VXGBXAGGSA-N 239.315 0.910 30 20 BCED COC(=O)N1CCN(C(=O)C#CC(C)C)CC1 822889271 MYWGPFFWVMRWCV-UHFFFAOYSA-N 238.287 0.556 30 20 BCED CN(C)CC#CCNC(=O)c1cc(C2CC2)no1 823675030 VPBWDCDTNGEFLV-UHFFFAOYSA-N 247.298 0.847 30 20 BCED C#CC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 823838791 UTCCQIWPJKGYOD-UHFFFAOYSA-N 241.254 0.458 30 20 BCED 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30 20 BCED N#CC1(C(=O)N2CC[C@@H](CO)C2)CCCC1 123694629 SHVRTCQPZCGNEX-SNVBAGLBSA-N 222.288 0.911 30 20 BCED C=C(C)COCCNC(=O)[C@H](C)NC(C)=O 125898438 DWBNWYOYFHNRGE-VIFPVBQESA-N 228.292 0.220 30 20 BCED C#CC[C@H](NS(=O)(=O)CCCC)C(=O)O 127527516 QFMULYNAZKKMRN-QMMMGPOBSA-N 233.289 0.182 30 20 BCED Cc1nn(Cc2noc(C3CC3)n2)c(N)c1C#N 132342504 NDVJDIZLAVTHOH-UHFFFAOYSA-N 244.258 0.954 30 20 BCED COC(=O)[C@H]1COCCN1CCCCC#N 135544127 NFHJWEOCSZPWIB-SNVBAGLBSA-N 226.276 0.554 30 20 BCED CC#CCN1CCOC2(CCOCC2)C1 135600148 JDSBXUZJHZACIU-UHFFFAOYSA-N 209.289 0.891 30 20 BCED C#CCNC(=O)Cc1c[nH]c2ncccc12 154810976 LMXQTZWEJSQTDG-UHFFFAOYSA-N 213.240 0.855 30 20 BCED C=CCCS(=O)(=O)N1CCC[C@H](O)C1 158023198 RUGJLFZCFFLPSD-VIFPVBQESA-N 219.306 0.349 30 20 BCED CC[C@@H](COC)NS(=O)(=O)N(C)CCC#N 160308585 RAFFZSVKBTVYAP-VIFPVBQESA-N 249.336 0.091 30 20 BCED CC[C@@H](CC#N)N[C@@H](C)C(=O)NC1CC1 161845603 AUFBHIFGRBHODF-IUCAKERBSA-N 209.293 0.935 30 20 BCED Cc1nn(C)cc1CNC(=O)[C@@H](C)C#N 168827549 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0.763 30 20 BCED N#C[C@@H]1CN(CCN2CCCC2)CCO1 230069563 HYOQKHRSPAZNFV-LLVKDONJSA-N 209.293 0.307 30 20 BCED CNC(=O)CNCc1ccc(C#N)c(OC)c1 234346985 AGNZASINVBCKHQ-UHFFFAOYSA-N 233.271 0.402 30 20 BCED CNC(=S)NN=C(C)c1ccccn1 252457450 KDNWDIABXHFHBK-UHFFFAOYSA-N 208.290 0.900 30 20 BCED N#Cc1cc(NC[C@H]2CCCO2)ncn1 258937589 KHUQHCMJGYXRBZ-SECBINFHSA-N 204.233 0.939 30 20 BCED CCN1CCC[C@@H]1C/N=C1/NCCN1C 261534897 NIDYJKBJAAZZQZ-SNVBAGLBSA-N 210.325 0.362 30 20 BCED C=C(C)CN/C(N)=N/CCNc1ccccn1 264069172 FVOLETYEOUTVBT-UHFFFAOYSA-N 233.319 0.974 30 20 BCED Cc1cccc(C(=O)NCC/N=C(\N)N(C)C)c1 264088876 KILJVWBUCQCUQL-UHFFFAOYSA-N 248.330 0.601 30 20 BCED C#CC(C)(C)NC(=O)c1ccc[n+]([O-])c1 265164887 CJYYESFPUQBZHJ-UHFFFAOYSA-N 204.229 0.462 30 20 BCED COc1ncccc1C(=O)N(CC#N)CC#N 265226404 GYYOTOFJMORUDL-UHFFFAOYSA-N 230.227 0.580 30 20 BCED C#CCOc1ccccc1C/N=C(\N)NC 267409365 HVNFATRVDPZIKG-UHFFFAOYSA-N 217.272 0.733 30 20 BCED C=CCN(C(=O)Cn1ccc(O)nc1=O)C1CC1 271468714 GVNYWFUSIRMZJI-UHFFFAOYSA-N 249.270 0.126 30 20 BCED COC(=O)c1ccc(CN2CCO[C@H](C#N)C2)[nH]1 272785870 WSHNYJLYEUFFRR-SNVBAGLBSA-N 249.270 0.526 30 20 BCED C#CCN(C(=O)NC[C@@H]1CCCO1)C1CC1 273987397 VWRQWOLHXGAHQS-NSHDSACASA-N 222.288 0.973 30 20 BCED N#CCC(=O)NC[C@H](O)c1ccccc1F 274224889 RBNYHASFROGUIV-JTQLQIEISA-N 222.219 0.889 30 20 BCED C=CCN(C)S(=O)(=O)[C@H]1CCOC1 275358882 IIRUHEOWOPKFDT-QMMMGPOBSA-N 205.279 0.223 30 20 BCED C#CC(C)(C)N(C)CC(=O)NC(=O)NCC 279402868 ZSMRDNCCFSBNFP-UHFFFAOYSA-N 225.292 0.176 30 20 BCED CC#CCNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 280452867 YZMOIHIKPOVOAI-NXEZZACHSA-N 238.287 0.460 30 20 BCED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)OC)C1=O 280995975 AUVJYFDIBMLMKK-VHSXEESVSA-N 240.303 0.267 30 20 BCED C#CCN(CC#N)Cc1noc(CC)n1 281281056 GPFOGAYYXYVETJ-UHFFFAOYSA-N 204.233 0.591 30 20 BCED CO/N=C/C(=O)N[C@@H](CO)c1ccccc1 283393146 KTYUZIXTPUEVHQ-QVIVLVACSA-N 222.244 0.468 30 20 BCED Cc1cc(C#N)nc(N[C@@H]2CCC[C@H]2O)n1 287239522 JRQZUGCHZIZGOB-NXEZZACHSA-N 218.260 0.982 30 20 BCED 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C[C@@H](C#N)CNC(=O)NCCNc1cnccn1 541946692 JEGLWKWAYNLQFN-VIFPVBQESA-N 248.290 0.347 30 20 BCED C[C@H](C#N)CNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 541946909 OOCUDGPRTLOTPW-LZQZFOIKSA-N 249.314 0.965 30 20 BCED CC#CCCCC(=O)NCC[C@@H]1C(=O)NN=C1C 545232034 PFBWAQUQGTUKAM-NSHDSACASA-N 249.314 0.808 30 20 BCED C[C@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCCN1 569109985 KXQFGCSGKLEBHV-HOSYDEDBSA-N 221.304 0.937 30 20 BCED Cc1cnn(C)c1S(=O)(=O)NC1(C#N)CC1 572190946 UQCXPULZIHHUCK-UHFFFAOYSA-N 240.288 0.063 30 20 BCED CC1(CN=c2cc[nH]c(C#N)n2)COC1 573292654 ITPKSEROQCCEHT-UHFFFAOYSA-N 204.233 0.219 30 20 BCED CN(C)C[C@@](C)(C#N)NC(=O)CSC1CC1 575063093 JRKKFTZBSUFQGJ-LLVKDONJSA-N 241.360 0.842 30 20 BCED CCOC[C@H](C)CS(=O)(=O)NC[C@H](C)C#N 583185103 NZEPSDUXPFMMNI-ZJUUUORDSA-N 248.348 0.738 30 20 BCED Cc1noc(CNC(=O)c2cccc(C#N)n2)n1 589329123 XDVYHWKDORDUPU-UHFFFAOYSA-N 243.226 0.575 30 20 BCED COCC#CCN1CC[S@@](=O)C(C)(C)CC1 590760515 QISBAADXMLIPTP-MRXNPFEDSA-N 243.372 0.869 30 20 BCED CCn1cc(CCN2CC[C@@](O)(CC#N)C2)cn1 592152892 GJXRZTAHTFPTIE-ZDUSSCGKSA-N 248.330 0.796 30 20 BCED N#Cc1cccc(NC(=O)N2CCO[C@H]3C[C@@H]32)n1 592263404 RQFSTQFTDOKPFR-UWVGGRQHSA-N 244.254 0.958 30 20 BCED Cc1nc(C(=O)N[C@](C)(C#N)CN(C)C)co1 593153199 OGNIJCMNOITBQB-LLVKDONJSA-N 236.275 0.557 30 20 BCED CC[C@@H](C#N)C(=O)N1CC[C@H](OCCOC)C1 593635334 COSMPCUUMYPADU-QWRGUYRKSA-N 240.303 0.800 30 20 BCED Cn1nncc1CN1CCC[C@H](CC#N)C1 595623911 YEUBJHTXVXSFJK-SNVBAGLBSA-N 219.292 0.941 30 20 BCED C=C[C@H](CO)N[C@H](C)C(=O)NC1(C#N)CCC1 595864069 OPHRFDOKCSRQJU-NXEZZACHSA-N 237.303 0.074 30 20 BCED CN(CCc1cnccn1)c1c(C#N)cnn1C 596183443 ZNESCZGHOOPIDB-UHFFFAOYSA-N 242.286 0.761 30 20 BCED CO[C@@H](C)[C@@H](C)Nc1cc(C#N)cnn1 596236075 IUBNZAICHKMEKP-SFYZADRCSA-N 206.249 1.184 30 20 BCED CC(C)[C@@H](C#N)NC(=O)c1cc(O)n(C)n1 597187785 JBDYALAHCHPRTJ-MRVPVSSYSA-N 222.248 0.404 30 20 BCED N#C[C@@H](NC(=O)C[C@@H]1CC(=O)N1)C1CCCCC1 597342922 SKLHZAKIPWMOLM-WDEREUQCSA-N 249.314 0.854 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](CCCC)C(=O)OC 597504829 IOCYCTHKWBGKPU-CABZTGNLSA-N 243.303 0.771 30 20 BCED C=C[C@H](O)C(=O)NCC1(SC)CCC1 597578162 ZXTCCWWQLRZZJF-QMMMGPOBSA-N 215.318 0.935 30 20 BCED C[C@H](NC[C@H](O)CC(C)(C)C#N)C(=O)N(C)C 598718758 GSZZIVSCYXSYBQ-VHSXEESVSA-N 241.335 0.353 30 20 BCED N#Cc1cncc(NC[C@H]2C[C@@H](O)C2)n1 599174212 MVLISJXEBRUYQQ-OTSSQURYSA-N 204.233 0.531 30 20 BCED CCn1cc(C(=O)N2CCOC[C@H]2C#N)c(C)n1 599594607 OQYXRONGNWQLAT-SNVBAGLBSA-N 248.286 0.576 30 20 BCED CON1CCC(C(=O)N(C)CCC#N)CC1 601013573 GGFQUDCBZZFEQI-UHFFFAOYSA-N 225.292 0.632 30 20 BCED CC(C)[C@H](C(=O)Nc1n[nH]cc1C#N)N(C)C 601640550 ZJUZYXNWNRORFP-SECBINFHSA-N 235.291 0.806 30 20 BCED Cc1cc(C#N)cnc1C(=O)NC1(C)COC1 601796228 JCMLAYVFCFPDAZ-UHFFFAOYSA-N 231.255 0.780 30 20 BCED C[C@@H](CC#N)NC(=O)CCN1CCCC1=O 609024463 NIJALSAMDVXGMG-VIFPVBQESA-N 223.276 0.417 30 20 BCED N#Cc1ccc(Nc2ccn(CCO)n2)nc1 610210539 CNIZQZZWGDVKCU-UHFFFAOYSA-N 229.243 0.886 30 20 BCED CNC(=O)C1(C(=O)NCCCC#N)CCC1 612335080 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237.303 0.851 30 20 BCED COCC#CCN1CCN(c2cnccn2)CC1 677133056 FUCXNPKROHATTH-UHFFFAOYSA-N 246.314 0.248 30 20 BCED C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CO[C@H]3[C@@H]2OC[C@H]31 681059499 UYJVOYNWFJOQLT-LZQZFOIKSA-N 237.299 0.966 30 20 BCED C=C[C@H](C(=O)O)N1CCO[C@@H](C(F)F)CC1 687564335 LWHUPCYEVHHMLS-HTQZYQBOSA-N 235.230 0.982 30 20 BCED N#CCCCCN1CC[C@H](S(N)(=O)=O)C1 687805103 IUINKBKJTNNNCS-VIFPVBQESA-N 231.321 0.043 30 20 BCED CN1C[C@@H](C(=O)N2CCC[C@@H](C#N)C2)CC1=O 701251785 HODIANIXNVANQY-UWVGGRQHSA-N 235.287 0.227 30 20 BCED CC(=O)N1CCC(C(=O)N(C)CCC#N)CC1 701322498 XOBLRYJWVNWVRW-UHFFFAOYSA-N 237.303 0.617 30 20 BCED CC#CCCNC(=O)N[C@H]1CC=C(C(=O)O)C1 702138992 NAQHHPHYRUABQU-JTQLQIEISA-N 236.271 0.872 30 20 BCED N#CCCNC(=O)[C@@H]1CCCN1c1ncccn1 706249344 QKCUVHOECVTJJS-JTQLQIEISA-N 245.286 0.475 30 20 BCED C#CCCCS(=O)(=O)N(C)CC1(C)COC1 710102587 YRWSQWYXKKDYPA-UHFFFAOYSA-N 245.344 0.698 30 20 BCED C#CCCCS(=O)(=O)NCCN1CCCC1 710204476 HUQHFDYPCRDAOW-UHFFFAOYSA-N 244.360 0.415 30 20 BCED C#CCCCS(=O)(=O)NC[C@H]1CCCO1 710310168 NBLBVJZLXVAZGM-SNVBAGLBSA-N 231.317 0.498 30 20 BCED C=C[C@H](CO)N[C@H](CC(C)C)C(=O)O 717438234 XFZMBXWXIIYVBN-RKDXNWHRSA-N 201.266 0.622 30 20 BCED C#CC[C@@H](CO)NC(=O)c1cccc(Cl)n1 717704770 VVOQKBKKIHZHRN-QMMMGPOBSA-N 238.674 0.849 30 20 BCED COC[C@H](C#N)OC(=O)[C@H]1CCO[C@H]1C 751537300 HGVGUQQFQUBLHI-CIUDSAMLSA-N 213.233 0.493 30 20 BCED CC[C@@H](NCC(=O)NCCC#N)[C@H]1CCCO1 754522171 YHJJYEDGAGXOGM-GHMZBOCLSA-N 239.319 0.563 30 20 BCED C#C[C@@H](CC)NC(=O)CSc1nncn1C 754680558 VZYGBWCPZAHLCY-QMMMGPOBSA-N 238.316 0.435 30 20 BCED C=CCNC(=O)COC(=O)C[C@](C)(O)C1CC1 756314821 YFIMVBZCENEXMF-LBPRGKRZSA-N 241.287 0.383 30 20 BCED C#CC[C@@H](N=c1nn[nH]n1C)c1ccccc1 756952878 FIOPGPDSQRNUDP-LLVKDONJSA-N 227.271 0.809 30 20 BCED C=CCCOCC(=O)O[C@@H](C)C(=O)OC 759785593 YOYDMCCKVBMBGL-QMMMGPOBSA-N 216.233 0.684 30 20 BCED C#CC(=O)N[C@@H](C(=O)OCC)C1CCOCC1 759952975 XNFXHPFZJVVKEG-LLVKDONJSA-N 239.271 0.094 30 20 BCED C=C[C@H](C)NC(=O)Cn1cc([C@H](C)O)nn1 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KCSORJVPNBZSIR-UHFFFAOYSA-N 212.249 0.700 30 20 BCED COC(C)(C)CC(=O)n1ncc(C#N)c1N 278692317 MEMLVQYUEXTOJA-UHFFFAOYSA-N 222.248 0.792 30 20 BCED Cc1cccc(C(=O)NCC#CCO)n1 282974634 SMJSCTBQSSOHTA-UHFFFAOYSA-N 204.229 0.116 30 20 BCED CC#CCN1CCC[C@H](c2n[nH]c(=O)o2)C1 284350100 RYIYGHIPCUUXKK-VIFPVBQESA-N 221.260 0.566 30 20 BCED CC#CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 285050147 JKHPPEWXTHQNMJ-ZWNOBZJWSA-N 246.314 0.305 30 20 BCED C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)OC)C1 289924561 VSEWZHLJXWHXJG-SKDRFNHKSA-N 241.287 0.335 30 20 BCED C=C[C@H](CO)NC(=O)c1ccccc1OC 290684685 UJJJVGMWXNNLHK-SECBINFHSA-N 221.256 0.972 30 20 BCED C=C[C@@H](CO)NC(=O)CCc1ccncc1 290702146 VYHIUYJVOOKIOU-NSHDSACASA-N 220.272 0.677 30 20 BCED C=C[C@H](CO)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 290705462 WGMTTXFIYYRVLU-MXWKQRLJSA-N 243.303 0.234 30 20 BCED C#CCN(C)C(=O)NCCCOCCOC 290961145 HSAXVBMOSSKQBW-UHFFFAOYSA-N 228.292 0.314 30 20 BCED C#CCN(C)C(=O)N[C@H](C)c1cnn(C)c1 291064480 PYXKUPZUYLIOCO-SECBINFHSA-N 220.276 0.756 30 20 BCED C=C[C@@H](CO)NC(=O)NC[C@H](CC)OC 291486781 OGZCLBSMSMILQZ-IUCAKERBSA-N 216.281 0.258 30 20 BCED CCN(C(=O)c1c[nH]c(C#N)c1)[C@H](C)CO 291675981 DCRMAGLKSSGOCV-MRVPVSSYSA-N 221.260 0.729 30 20 BCED C=C(C)CN/C(N)=N/C[C@@H](C)CN(C)C 291806581 BCDSQAQHEWXWJR-SNVBAGLBSA-N 212.341 0.665 30 20 BCED C#CCCCN1CCC[C@@H](c2n[nH]c(=O)o2)C1 295140674 DTOSMJRWXUCKJY-SNVBAGLBSA-N 235.287 0.956 30 20 BCED C=CCN(CC=C)C(=O)CCCC(N)=O 299404122 NZOMCMOVQSJSOY-UHFFFAOYSA-N 210.277 0.843 30 20 BCED C[C@H](C#N)OCCN1CCNC(=O)C1(C)C 304250414 QUYKDTWPVDQCMG-SECBINFHSA-N 225.292 0.125 30 20 BCED CCN1CCC(CCN/C(=N\C)NC)CC1 304365648 YTFLHAFEBPQCTP-UHFFFAOYSA-N 226.368 0.903 30 20 BCED C#C[C@H](NCC1OCCO1)[C@@H]1CCCO1 308803178 ABFIIYZNZRRWSA-UWVGGRQHSA-N 211.261 0.130 30 20 BCED C=CCOCC(=O)N[C@@H](CN)CC(C)C 309499111 UOHYUKRIICDGLW-SNVBAGLBSA-N 214.309 0.679 30 20 BCED N#Cc1ccc(C(=O)NCc2ccncn2)o1 310557131 YXBHJKURLFLASA-UHFFFAOYSA-N 228.211 0.871 30 20 BCED Cc1n[nH]c(C)c1N=C(O)[C@@H]1COCCN1C 328979103 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221.260 0.963 30 20 BCED Cn1cnc2cccc(C(=O)NCC#N)c21 334369423 UMJGNTZPIOOSIX-UHFFFAOYSA-N 214.228 0.827 30 20 BCED CSC[C@@H](CCO)NC(=O)CC#N 336663571 WUQOLRILWMYVFE-SSDOTTSWSA-N 202.279 0.130 30 20 BCED N#CCNC(=O)CCc1nc(-c2ccoc2)no1 339925742 VMDOZVLCYSCHMT-UHFFFAOYSA-N 246.226 0.902 30 20 BCED C=C[C@H](C)NC(=O)C(=O)Nc1cccnc1OC 340826159 WTOLTDXNPOUNGW-QMMMGPOBSA-N 249.270 0.719 30 20 BCED C=CCCN(C)C(=O)N[C@@H]1CC(=O)N(C)C1 342186133 LEWBUKOKDAKZSF-SECBINFHSA-N 225.292 0.435 30 20 BCED C[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1O 342552998 GCAGRJMXMZLTCN-PSASIEDQSA-N 203.245 0.770 30 20 BCED COCC[C@](C)(C#N)NC(=O)[C@H]1CO[C@@H](C)C1 344905564 LUHMOOUSGIUMAC-HOSYDEDBSA-N 240.303 0.846 30 20 BCED CO[C@H](C)CNC(=O)c1cnccc1C#N 345317242 AKJDCTSGGTZBBQ-MRVPVSSYSA-N 219.244 0.718 30 20 BCED N#CCCCCS(=O)(=O)N[C@@H]1CCOC1 345325262 IMBVLJXJLXJIMI-SECBINFHSA-N 232.305 0.389 30 20 BCED C=C(C)CN1CCC(N2C(=O)CNC2=O)CC1 348873859 CXPYLHIIBHXXBJ-UHFFFAOYSA-N 237.303 0.579 30 20 BCED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCCC#N 349983477 KTBCOYJQGROWII-VHSXEESVSA-N 246.332 0.465 30 20 BCED C=C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N 351740928 XBMGBVTXFCFCAS-LURJTMIESA-N 236.231 0.876 30 20 BCED CC[C@@](C)(C#N)C(=O)NCCc1n[nH]c(C)n1 352274261 SRMAMENEAVMPSU-NSHDSACASA-N 235.291 0.712 30 20 BCED CC(=O)NCCCN1CCC(F)(C#N)CC1 352464389 SOHFQGXXWOWOCL-UHFFFAOYSA-N 227.283 0.840 30 20 BCED C[C@H](C(=O)N(C)C)N1CCC(F)(C#N)CC1 352489529 BATHHGMILUKLNX-SECBINFHSA-N 227.283 0.791 30 20 BCED CN(Cc1ccnn1C)C(=O)c1c[nH]c(C#N)c1 352542605 QYJYOVWQDHQSMK-UHFFFAOYSA-N 243.270 0.892 30 20 BCED Cn1ncc(C(=O)NCc2cccnc2)c1C#N 353347113 HNTDKCLUHULWGI-UHFFFAOYSA-N 241.254 0.617 30 20 BCED Cn1ncc(C(=O)NCc2ccncc2)c1C#N 353349073 KDUHKFRFQILCSI-UHFFFAOYSA-N 241.254 0.617 30 20 BCED C=C[C@@](C)(O)CC(=O)N[C@@H](CCC)C(=O)OC 355514508 TWUXALONRGKPNY-JOYOIKCWSA-N 243.303 0.771 30 20 BCED CCn1cnnc1NC(=O)c1cc(C#N)c[nH]1 356233016 VHTZALCKPVQULQ-UHFFFAOYSA-N 230.231 0.750 30 20 BCED C=C[C@@H](CO)NC(=O)COCCc1ccccc1 356826150 SDLGKEJTXYLXKT-ZDUSSCGKSA-N 249.310 0.909 30 20 BCED C=C[C@H](CO)NC(=O)c1ccc(NC(C)=O)cc1 356826537 BLOSWTNVFUNMAO-LLVKDONJSA-N 248.282 0.922 30 20 BCED C=C[C@H](CO)Nc1nc(C)nc2c1cnn2C 357604450 LTVQKHKHYPHNHW-MRVPVSSYSA-N 233.275 0.631 30 20 BCED COC(=O)CN(CC#N)C(=O)C[C@@H]1C[C@H]1C 357888916 XPZFXKCTXDAJEJ-BDAKNGLRSA-N 224.260 0.558 30 20 BCED Cc1nn(Cc2nnnn2C(C)(C)C)cc1C#N 359398242 XEGBWNJVGIBTGD-UHFFFAOYSA-N 245.290 0.853 30 20 BCED N#CCC(=O)NC[C@@H]1COC2(CCCC2)O1 369965010 PLKHPCVMTMCLAY-SECBINFHSA-N 224.260 0.702 30 20 BCED N#Cc1nccnc1N1CC([C@H]2CCOC2)C1 373686303 RBRIDIZNOJCPAS-VIFPVBQESA-N 230.271 0.821 30 20 BCED CC(=NNC[C@@H](C)O)c1cc(C(=O)O)co1 378681350 WMYNKIOLGCOMKB-ZCFIWIBFSA-N 226.232 0.672 30 20 BCED CC[C@](C)(NC(=O)c1cccc(C#N)c1)C(N)=O 380988611 DWUURBQDZTWHBH-ZDUSSCGKSA-N 245.282 0.942 30 20 BCED C=CCOCCN1CC[C@@H](C(=O)O)[C@@H]1C 385871328 ZIVYYXQNIZPXMY-VHSXEESVSA-N 213.277 0.984 30 20 BCED C[C@@H](C#N)S(=O)(=O)N(CC(F)F)C1CC1 387262805 LAYHZCMHTSARGZ-LURJTMIESA-N 238.259 0.958 30 20 BCED C[C@@H]1CCC[C@]1(O)CN=c1nc[nH]cc1C#N 392758956 DMUBCLBCJNLIOW-SKDRFNHKSA-N 232.287 0.733 30 20 BCED C[C@H](O)CC(C)(C)CNS(=O)(=O)[C@@H](C)C#N 393541165 ZFKQGHFKOLHFHS-IUCAKERBSA-N 248.348 0.615 30 20 BCED CC[C@H](O)CN=c1cc(C)[nH]cc1C#N 399189011 OZFNHPBACNOIOV-JTQLQIEISA-N 205.261 0.866 30 20 BCED CC1(O)CCN(c2cncc(C#N)n2)CC1 401454796 BWDMYAGDUBFUKJ-UHFFFAOYSA-N 218.260 0.699 30 20 BCED CCS(=O)(=O)N(C)C1CCN(CC#N)CC1 407949247 NYFNAAXNMBLIPU-UHFFFAOYSA-N 245.348 0.256 30 20 BCED COCCCC(=O)N1CCSC[C@H]1C#N 408104871 NJLQERHTRYDNFG-SECBINFHSA-N 228.317 0.881 30 20 BCED COC(=O)[C@H]1CN(CC2(C#N)CC2)CCO1 408110341 OEZAAXYUHWBGST-SECBINFHSA-N 224.260 0.164 30 20 BCED C#CCn1nc2c(c1C(=N)N)CCCC2 409441197 XJAUECHPOPDVTG-UHFFFAOYSA-N 202.261 0.679 30 20 BCED CC(C)C[C@H](CN)NC(=O)NCCC#N 418103046 SKVDVCCWJHOYLV-SECBINFHSA-N 212.297 0.573 30 20 BCED COC(=O)COC[C@H](C)NCC1(C#N)CCC1 418138496 GGEGIHUJYAIGBY-JTQLQIEISA-N 240.303 0.848 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)N2CCNCC2)C1 424467220 MFHNQYBJCWRBCQ-VHSXEESVSA-N 222.292 0.293 30 20 BCED C=C[C@H](CO)NC(=O)c1cccc2[nH]ncc12 426858778 XQWSUJLMDXHHJI-MRVPVSSYSA-N 231.255 0.840 30 20 BCED C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)NCC 451909263 KUUODFIIXDDZGZ-BDAKNGLRSA-N 234.321 0.164 30 20 BCED C=C(CC)CNC(=O)NC[C@H]1CC[C@@H](CO)O1 455006671 YOLMBUPHWQOQHH-MNOVXSKESA-N 242.319 0.792 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@@](C)(O)C(C)C 456770922 TWARKISMTAXZJZ-PWSUYJOCSA-N 229.320 0.837 30 20 BCED CC#CCCNC(=O)N[C@H]1COC[C@H]1OC 458654652 LNFOHRGFDMQJTF-VHSXEESVSA-N 226.276 0.113 30 20 BCED C=C(C)CCNC(=O)N(C)[C@@H]1COC[C@H]1O 458994411 FZWXZOZEVLUKMU-NXEZZACHSA-N 228.292 0.354 30 20 BCED C=CCN(C)C(=O)N[C@H]1COC[C@H]1OC 459312673 JZBPJRVEERQRSJ-DTWKUNHWSA-N 214.265 0.228 30 20 BCED C#CCN(CC)C(=O)c1ccc(C(N)=O)s1 490604919 NJBFXBOUNNSSTA-UHFFFAOYSA-N 236.296 0.942 30 20 BCED C#CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 490618072 UULRJJIBZCCSSQ-QMMMGPOBSA-N 244.250 0.769 30 20 BCED C#CCNC(=O)[C@@H](C)N1C[C@H](C)N(C)[C@H](C)C1 491071117 IHXFJYORWATPDU-GRYCIOLGSA-N 237.347 0.149 30 20 BCED C#CCNC(=O)CCN[C@H](C)c1cnn(C)c1C 491164735 FEKYDMSWCWLALY-SNVBAGLBSA-N 248.330 0.519 30 20 BCED C#C[C@H](CCC)NC(=O)c1c[nH]nc1[N+](=O)[O-] 491200989 DVJQRYGVLALPKD-SSDOTTSWSA-N 236.231 0.850 30 20 BCED C#CCN(C)C(=O)C(=O)Nc1ccn(C(C)C)n1 491203533 XFPZYEDSPGPXTF-UHFFFAOYSA-N 248.286 0.494 30 20 BCED C#C[C@H](C)N(C)C(=O)N[C@@H](C)Cn1ccnc1 491439386 JKPZACDMJBNMFC-QWRGUYRKSA-N 234.303 0.935 30 20 BCED C#C[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1C)C(C)C 491675731 MRXPHRJZZYNOPM-DCAQKATOSA-N 224.304 0.809 30 20 BCED C#CCNC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 491698921 AZPHDBCRBVMTCT-DGCLKSJQSA-N 234.299 0.973 30 20 BCED C#C[C@@H](CC)NS(=O)(=O)C[C@@H](C)COCC 491712598 YUAGTAPZPFURNO-QWRGUYRKSA-N 247.360 0.990 30 20 BCED C#CC(C)(C)NC(=O)Cc1cnn(CC)c1 491738826 GRGUTDQORLFIDD-UHFFFAOYSA-N 219.288 0.974 30 20 BCED C#CCN(C)Cc1nc(C2CC2)nn1C 491766239 FAPJZVIYOFKOLR-UHFFFAOYSA-N 204.277 0.758 30 20 BCED 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JRTADPSKMPICEQ-UHFFFAOYSA-N 249.314 0.724 30 20 BCED C=CC(C)(C)C(=O)N1CCC(O)(C(N)=O)CC1 1351001523 PETGNNCUIXXMLQ-UHFFFAOYSA-N 240.303 0.037 30 20 BCED C#CCN(C)C(=O)/C=C(\C)C(=O)N(C)CC#C 1351923075 ASESSCJMDSNSMS-ZHACJKMWSA-N 232.283 0.116 30 20 BCED C#CCN(CC)c1nnc(-c2noc(C)n2)n1C 1355480066 KCYNYNSZNBFPDD-UHFFFAOYSA-N 246.274 0.633 30 20 BCED C#CCOCCn1nnnc1N1CCC[C@@H](C)C1 1355800801 JUVQUTCGYONNKS-LLVKDONJSA-N 249.318 0.559 30 20 BCED N#Cc1cc(C(=O)NCCC(N)=O)cs1 1444414620 OFOMYDLCUDMVFC-UHFFFAOYSA-N 223.257 0.225 30 20 BCED N#C[C@@H]1CC[C@H](NC[C@@H]2CCCNC2=O)C1 1474570188 ADOTUAKLIKDFOJ-VWYCJHECSA-N 221.304 0.794 30 20 BCED C[C@@H](CN)C(=O)NCc1ccc(C#N)cc1F 1574066961 FDKBDNGPKCGQQP-QMMMGPOBSA-N 235.262 0.908 30 20 BCED C=C[C@](C)(O)CC(=O)N[C@@H](CN)C(C)(C)C 1574872096 FIGOKJHCNFHZHS-CABZTGNLSA-N 228.336 0.803 30 20 BCED C[C@@H]1CC(=NC(=O)[C@H]2CCC[C@H]2N)NO1 1576617855 JOIUTANGLRWBGY-GJMOJQLCSA-N 211.265 0.352 30 20 BCED C[C@H]1CN(Cc2cc(C#N)ccn2)CCN1 1576807441 QCJMSJALBZSMSB-JTQLQIEISA-N 216.288 0.747 30 20 BCED CCNCC(=O)NCc1ccc(C#N)s1 1577831406 ARNXHTLIHIHACC-UHFFFAOYSA-N 223.301 0.845 30 20 BCED COc1ncc(NC(=O)[C@@H](C)CN)cc1C#N 1579324187 CUKAFMWUMHGXHF-ZETCQYMHSA-N 234.259 0.495 30 20 BCED Cc1[nH]nc(NC(=O)[C@H]2C[C@@H](N)[C@@H]3C[C@H]23)c1C#N 1579839402 KNDBRRLWTUSCGL-PYHGXSLLSA-N 245.286 0.512 30 20 BCED C#C[C@H](CC)NS(=O)(=O)C1(C(=O)O)CCC1 1588369131 CAJTXUALZWPCDK-MRVPVSSYSA-N 245.300 0.325 30 20 BCED C#C[C@H](NC(=O)NC[C@H](F)C(=O)O)C(C)(C)C 1588372120 DKPPWISAOLRIEH-YUMQZZPRSA-N 244.266 0.756 30 20 BCED C#CC[C@H](COC)NC[C@H]1[C@H](C(=O)O)C1(F)F 1588395183 QASYPKNQTYXKNQ-HRDYMLBCSA-N 247.241 0.580 30 20 BCED C#CCN(CC(=O)O)C(=O)Cc1ccc(C)o1 1588406922 FNQJEHKAHSUBNT-UHFFFAOYSA-N 235.239 0.677 30 20 BCED C#CCN(CC(=O)O)Cc1cnc(CC)nc1 1588424997 AJCOMHSKXKJQDQ-UHFFFAOYSA-N 233.271 0.559 30 20 BCED C#CCOCCC(=O)N=c1cc[nH]cc1C(=O)O 1588489621 HPGKWKNZBUCQLW-UHFFFAOYSA-N 248.238 0.180 30 20 BCED C=C[C@H](C(=O)O)N(C)C[C@@H](O)C(F)(F)F 1588662887 ADXRLJMUXJLEMT-PHDIDXHHSA-N 227.182 0.481 30 20 BCED C=C[C@H](NC[C@H]1CCOC[C@@H]1OC)C(=O)O 1588695688 KHFHDKQKLLJZKS-UTLUCORTSA-N 229.276 0.267 30 20 BCED C=C[C@@H](OC(=O)[C@@H](C)CC(=O)O)C(=O)OC 1588706374 YNGCPYIKGKYBHO-NKWVEPMBSA-N 230.216 0.368 30 20 BCED C=CC[C@H](C(=O)O)N1CCN2CCOC[C@@H]2C1 1588729261 IPZXJFKKSDCCTL-WDEREUQCSA-N 240.303 0.032 30 20 BCED C=CC[C@@H](C(=O)O)N1CCC[C@@](CO)(OC)C1 1588729852 OFYLXXUSKUMWLM-CMPLNLGQSA-N 243.303 0.489 30 20 BCED C[C@@H](C#N)N(C[C@](C)(O)C(=O)O)C1CC1 1589331737 NJWBEPMLUSORAE-XVKPBYJWSA-N 212.249 0.198 30 20 BCED N#CCN(C(=O)CCCC(=O)O)C1CC1 1594610096 KCZRRWCEOVFKDG-UHFFFAOYSA-N 210.233 0.756 30 20 BCED O=C(C#CC1CC1)N[C@H](C(=O)O)c1cccnc1 1601224583 WXEVQSZNPNRVAP-LBPRGKRZSA-N 244.250 0.737 30 20 BCED C[C@@H](/C=C/C(=O)O)NC(=O)c1ccc(C#N)n1C 1604058430 DHYXJPONXULJRX-HFSLJOEWSA-N 247.254 0.656 30 20 BCED CC[C@H](C)CS(=O)(=O)N(CC#N)CC(=O)O 1604956599 YUMKOMXXRYVUJN-QMMMGPOBSA-N 248.304 0.272 30 20 BCED COCC#CCN[C@@H](C(=O)O)C1CCOCC1 1606772966 ZHYZJIJLKRTPMX-LLVKDONJSA-N 241.287 0.106 30 20 BCED N#CC[C@]1(O)CCN(c2nccnc2C(=O)O)C1 1610620960 RVVPOLWBXKQIJY-NSHDSACASA-N 248.242 0.030 30 20 BCED CO[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](C)CC#N 1621777817 KOPSDDUKLVFPIA-AEJSXWLSSA-N 246.332 0.775 30 20 BCED CCN(C[C@@H](C)C#N)C[C@@H](C)S(C)(=O)=O 1652387429 UDUNDPWSPKAOKE-VHSXEESVSA-N 232.349 0.901 30 20 BCED CN(C)C(=O)[C@H]1CCN(c2ncccc2C#N)C1 1655564595 LLFWQZXCYGLJIJ-NSHDSACASA-N 244.298 0.868 30 20 BCED C#CCN[C@H](C)CNC(=O)CCOC(C)C 1752863244 YNVMWUCGQFVSPL-LLVKDONJSA-N 226.320 0.529 30 20 BCED COCC#CCNCCN(C)C(=O)C(C)C 1753171178 VXGXKADKLZMJQE-UHFFFAOYSA-N 226.320 0.340 30 20 BCED C#CCCNC[C@@H](C)NC(=O)c1nonc1C 1754255787 AACAMBOHGDYATH-MRVPVSSYSA-N 236.275 0.109 30 20 BCED COCCCNC[C@H](C)NC(=O)[C@@H](C)C#N 1754261701 WETZNBRJZNKVQI-UWVGGRQHSA-N 227.308 0.277 30 20 BCED C#CCCN[C@@H]1CCN(C(=O)COCC)[C@H]1C 1755666156 YFUVINRHHFHQJY-NWDGAFQWSA-N 238.331 0.625 30 20 BCED CC[C@H](NCc1cccc(C#N)n1)C(=O)O 1776722097 JGAKUWQGCCDLJS-JTQLQIEISA-N 219.244 0.906 30 20 BCED C#CC(=O)N1CC2(CCCN2C(=O)/C(C)=C/C)C1 1845967132 XBFXGROALLAXMT-NYYWCZLTSA-N 246.310 0.789 30 20 BCED CC(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846367627 FEJYQYHVZVBBFC-MRVPVSSYSA-N 242.344 0.528 30 20 BCED OCCCC#Cc1cncc(O[C@@H]2CCNC2)n1 1898220240 RPWZLEPKJCCNTD-GFCCVEGCSA-N 247.298 0.341 30 20 BCED C#CCOCCN(C)CCC1OCCCO1 1323094353 WJWSYTBTFZUZPQ-UHFFFAOYSA-N 227.304 0.721 30 20 BCED C#CCOCCNC(=O)c1cc(OC)ns1 857178007 ZNTITHVDMNDBCL-UHFFFAOYSA-N 240.284 0.531 30 20 BCED C[C@H](C#N)CN(C)C(=O)c1cnn2cccnc12 57309117 XMYBERSWTRFBRQ-SECBINFHSA-N 243.270 0.961 30 20 BCED COC(=O)NCCCC(=O)NCCCCC#N 170968030 KDXWYFHKQVCXMH-UHFFFAOYSA-N 241.291 0.933 30 20 BCED N#Cc1nccc(N2CCO[C@@H](C#N)C2)n1 309259883 BOABCCWWIMMCIN-QMMMGPOBSA-N 215.216 0.077 30 20 BCED Cn1ncc(Cl)c1C(=O)N1CC(C#N)C1 597697158 CRHGKQOJPPSLEM-UHFFFAOYSA-N 224.651 0.669 30 20 BCED C#CCN(CC#CC)CCS(=O)(=O)CC 743852722 BROWLNYRQXSUGQ-UHFFFAOYSA-N 227.329 0.380 30 20 BCED CC[C@@](C)(C#N)NC(=O)COC[C@H]1CCOC1 117777622 ABAIIVFLTVNIMT-JQWIXIFHSA-N 240.303 0.848 30 20 BCED COC[C@H](CO)NCc1ccc(C#N)c(F)c1 403995531 KVYLHRVKMVWWKC-NSHDSACASA-N 238.262 0.794 30 20 BCED C=CCNC(=O)c1ccc(N2CCOCC2)nc1 29028362 RPKYEDZRUAMVPC-UHFFFAOYSA-N 247.298 0.834 30 20 BCED C=CCCO[C@@H](C)C(=O)N[C@@H]1CCOC1 179202873 BIGYRCMVFTXBHJ-VHSXEESVSA-N 213.277 0.873 30 20 BCED CCOC(=O)[C@H]1CCCN1c1cc(C#N)ncn1 310723476 YXUMEFXRUUIOSX-SNVBAGLBSA-N 246.270 0.880 30 20 BCED CC(=O)N1CCCN(C[C@@H](C#N)CCC#N)CC1 28691771 AXPCXIINHJTGGT-CYBMUJFWSA-N 248.330 0.984 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)c1ccccc1O 22484790 UUZUVJPPYHIHEO-VIFPVBQESA-N 247.250 0.687 30 20 BCED COC[C@H](C)N/C(N)=N/C[C@H](C)N(C)C1CC1 303968780 AZOUNSNICVNYAI-UWVGGRQHSA-N 242.367 0.408 30 20 BCED CON=CC(=O)N1CCSC[C@@H]1C 308331651 JBIFWYDIFZTDMA-ZETCQYMHSA-N 202.279 0.583 30 20 BCED CCCCS(=O)(=O)N1CCN(CC#N)CC1 20180858 JFJLMCVCTDEICB-UHFFFAOYSA-N 245.348 0.257 30 20 BCED CC(C)(C#N)CNC(=O)CN1CCC(N)CC1 122367724 LYHSCAFWRFRDLX-UHFFFAOYSA-N 238.335 0.075 30 20 BCED CC[C@@H](C)N/C(N)=N/CC(C)(C)C(N)=O 303263289 QVQBMMDJIQXWNZ-SSDOTTSWSA-N 214.313 0.201 30 20 BCED C=CCOCCNC(=O)N1CCC[C@@H]1C(=O)O 304283041 XQWBCRZBRBAMIZ-SECBINFHSA-N 242.275 0.448 30 20 BCED COC(=O)NCC(=O)OCC(C)(C)C#N 180123789 NRZWBUAOFUPODJ-UHFFFAOYSA-N 214.221 0.435 30 20 BCED C#C[C@@H](CCC)NC(=O)[C@H]1CCS(=O)(=O)C1 233294053 CGEAFUWQXYSJGN-UWVGGRQHSA-N 243.328 0.339 30 20 BCED Cc1noc(CNC(=O)C2(C#N)CC(C)C2)n1 122359012 HHCNNFKKOUPCMY-UHFFFAOYSA-N 234.259 0.934 30 20 BCED C#CCOC(=O)c1c(C)oc2ncn(C)c(=O)c12 73192733 UFWGKXBUPBJVCJ-UHFFFAOYSA-N 246.222 0.625 30 20 BCED Cc1ccn(CN(C)CC#N)c(=O)c1C#N 184707924 JFWMEAZBUGXYNA-UHFFFAOYSA-N 216.244 0.441 30 20 BCED C#C[C@@H](CC)NC(=O)C1(S(C)(=O)=O)CCC1 490713058 HOJUQFIUWARNBD-VIFPVBQESA-N 243.328 0.482 30 20 BCED C=C(Cl)CNC(=O)[C@H]1COCCO1 124644283 QAUYZPPCAKEUEF-SSDOTTSWSA-N 205.641 0.271 30 20 BCED CC(C)CN1CCO[C@H](CNC(=O)CC#N)C1 185077204 ZFKFINGXVQFIGK-LLVKDONJSA-N 239.319 0.373 30 20 BCED C#C[C@H](C)NC(=O)[C@@H](C)Oc1cccnc1 186003540 FRJBMJQRBADYDL-VHSXEESVSA-N 218.256 0.987 30 20 BCED C=CCNC(=O)[C@@H](C)N1CC[C@H](CNC)C1 70799964 KAXLSADFIMMHJY-GHMZBOCLSA-N 225.336 0.218 30 20 BCED C=CCNC(=O)CNC(=O)c1cnc(C)s1 181742151 YIFONOAGCKSCMK-UHFFFAOYSA-N 239.300 0.484 30 20 BCED C[C@H]1CCNC(=O)[C@@H]1NCCOCCC#N 378864450 XJPBMAXDBDDVRP-VHSXEESVSA-N 225.292 0.031 30 20 BCED CC[C@H](C#N)C(=O)N1C[C@H]2COC[C@H]2C1 601976754 YYBLYRILQLDTRW-BBBLOLIVSA-N 208.261 0.641 30 20 BCED C=CCSCCNC(=O)[C@@]1(O)CCOC1 413259922 HDTULGMKCRYDIT-SNVBAGLBSA-N 231.317 0.173 30 20 BCED CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 48443266 DFFXAFQUFDFXIP-UHFFFAOYSA-N 233.271 0.542 30 20 BCED CCN(CCNS(=O)(=O)[C@H](C)C#N)C(C)C 416470332 GROWGCGNGBPAKF-SNVBAGLBSA-N 247.364 0.548 30 20 BCED CN(CCC#N)S(=O)(=O)NCCCF 134517232 JKEZQVLPMREKJA-UHFFFAOYSA-N 223.273 0.026 30 20 BCED CN(CCO)c1ncc([N+](=O)[O-])cc1C#N 48935199 JSRGMGQHDBGBRP-UHFFFAOYSA-N 222.204 0.290 30 20 BCED CCOC(=O)[C@H]1CCCN1C(=O)[C@@H](C)C#N 44827287 NCQPZPFWBOTPDZ-DTWKUNHWSA-N 224.260 0.700 30 20 BCED CN1CCC[C@@H]1CNc1nccnc1C#N 227742345 WLCPECILXXGUGI-SECBINFHSA-N 217.276 0.854 30 20 BCED N#CC1(C(=O)N2CCN3CC[C@H]2C3)CCC1 382050883 YISHPVSNGSRFOU-JTQLQIEISA-N 219.288 0.597 30 20 BCED C[C@H](N=c1cc[nH]c(C#N)n1)[C@H]1CCOC1 380830494 PFZZGDBHECRAMT-IUCAKERBSA-N 218.260 0.607 30 20 BCED C#CCNCC(=O)N1C[C@@H](C)C[C@@H](C)C1 82239332 LKJJZKXOERDESL-PHIMTYICSA-N 208.305 0.714 30 20 BCED C#C[C@H](C)NS(=O)(=O)CCCCF 287538875 WLCHRVJWUNOZPO-QMMMGPOBSA-N 207.270 0.677 30 20 BCED C[C@](O)(CN=c1cc[nH]c(C#N)n1)C1CC1 381524982 WEUSLEZKGCYPML-NSHDSACASA-N 218.260 0.343 30 20 BCED CC[C@@H](C#N)NC(=O)c1ccnnc1C 611072871 JXHGLBQLMPZCLK-QMMMGPOBSA-N 204.233 0.817 30 20 BCED C#CCN(CC)C(=O)c1cc(C(=O)O)no1 382092490 LULSCJAFFUPOJN-UHFFFAOYSA-N 222.200 0.468 30 20 BCED C=CCn1cc(CN[C@@H](C)[C@H](C)OC)nn1 424290913 CMWFRHRZFAYXHE-UWVGGRQHSA-N 224.308 0.977 30 20 BCED CCO[C@@H]1C[C@H](Nc2cncc(C#N)n2)[C@@H]1OC 420610201 JOEWDLZETZWIIC-UMNHJUIQSA-N 248.286 0.953 30 20 BCED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C)CC#N 332467778 KQZQXFSXTHFRCU-BDAKNGLRSA-N 244.320 0.357 30 20 BCED C[C@@H](C#N)CNC1=NS(=O)(=O)c2ccccc21 84059633 MOCNKKUFMHOIKQ-QMMMGPOBSA-N 249.295 0.885 30 20 BCED N#C[C@@H](NC(=O)C[C@@H]1CCCC(=O)N1)C1CC1 332875529 DBEXJVGFNBMQFP-VHSXEESVSA-N 235.287 0.464 30 20 BCED C[C@H](CO)CNC(=O)c1ccc(C#N)cc1 83219007 QDPULKUXNNNAJM-VIFPVBQESA-N 218.256 0.916 30 20 BCED C=CCOCC(=O)N1CCOC[C@@H](C)C1 338308616 PRMFYSLWESKZRE-JTQLQIEISA-N 213.277 0.684 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCCOCC1 336003295 GTZPKIPTZOMUHU-NSHDSACASA-N 213.277 0.562 30 20 BCED C=CCN1CC[C@H](N2CCC[C@H](O)CC2)C1=O 334358033 ROZNFWNVWXIYLR-RYUDHWBXSA-N 238.331 0.620 30 20 BCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C 337931758 YFZPTARGENUBGB-VHSXEESVSA-N 249.318 0.915 30 20 BCED N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCF)C1 425186350 ACDSCTBBJKVKRC-DTWKUNHWSA-N 234.296 0.958 30 20 BCED C#CCNC(=O)CN1CC[C@@H](C)[C@H]1CC 383610476 MXIHZDFIAUQHDQ-GHMZBOCLSA-N 208.305 0.856 30 20 BCED C=C[C@@](C)(O)CC(=O)NCC1(CO)CCC1 332076089 WYQZCDUVGDQCEE-LLVKDONJSA-N 227.304 0.592 30 20 BCED CC(=O)N[C@H]1CCN(c2ncncc2C#N)C1 383881177 RQJGGTJBEFWFDM-JTQLQIEISA-N 231.259 0.063 30 20 BCED O=[S@]1CC[C@H](N/C(O)=N/Cc2ccco2)C1 330993660 BQWHCGDJHBLBBP-PWJLMRLQSA-N 242.300 0.804 30 20 BCED COCC1(C)CN(C(=O)NCCCC#N)C1 434382726 HFCZACVNBNXCMG-UHFFFAOYSA-N 225.292 0.968 30 20 BCED CCCN(CC#N)S(=O)(=O)C[C@@H](C)OC 332506317 VTNHUDPCNNXCSQ-SECBINFHSA-N 234.321 0.587 30 20 BCED N#Cc1ccc(N2CCN(CCO)CC2)cn1 149318105 FXVXTZGXFLGEIL-UHFFFAOYSA-N 232.287 0.068 30 20 BCED CC#CCN(C)S(=O)(=O)N1CC[C@H](C)C1 334196469 KWLREBWVIRQXOR-JTQLQIEISA-N 230.333 0.528 30 20 BCED C=CC(C)(C)CNS(=O)(=O)CCCC(=O)O 384904029 BMAPJKTYKVCPIB-UHFFFAOYSA-N 249.332 0.983 30 20 BCED CC(C)[C@@H](CO)CNS(=O)(=O)CCCC#N 344838776 XHVRCEZXDYMXRA-SNVBAGLBSA-N 248.348 0.474 30 20 BCED N#Cc1ccc(CC(=O)N[C@H]2C[C@@H](O)C2)cc1 298379236 MJUWBIPPFKEEAQ-TXEJJXNPSA-N 230.267 0.740 30 20 BCED COC1CC(C(=O)Nc2n[nH]c(C)c2C#N)C1 600827002 RYLLCAQHZZPPQO-UHFFFAOYSA-N 234.259 0.953 30 20 BCED C[C@@H](CS(C)(=O)=O)C(=O)NC1(C#N)CCC1 340467487 HZTIPSTWESSKFL-QMMMGPOBSA-N 244.316 0.230 30 20 BCED Cc1c(C#N)c(=O)n(CCCF)c(=O)n1C 603359283 PUBRNUNEAOLFCG-UHFFFAOYSA-N 225.223 0.087 30 20 BCED CCCN(CC#N)C(=O)c1ccc2nn[nH]c2n1 347027011 QTHARWNPVTUFOF-UHFFFAOYSA-N 244.258 0.729 30 20 BCED C[C@H](C#N)CNC(=O)[C@@H]1CCCCN(C)C1=O 602099102 XGXBEBYQOACDDR-ZJUUUORDSA-N 237.303 0.521 30 20 BCED C=CCOCCCN1CCN(CCOC)CC1 347967415 HWVIXHDHKIJXMJ-UHFFFAOYSA-N 242.363 0.843 30 20 BCED CNC(=O)CNCc1cnc2ccc(C#N)cn12 342863219 WNCHVQLNYGZZJJ-UHFFFAOYSA-N 243.270 0.042 30 20 BCED N#C[C@@]1(F)CCN(C(=O)C2CSC2)C1 601522869 SCNMDCYROTZXDF-VIFPVBQESA-N 214.265 0.814 30 20 BCED N#CCC1(O)CN(C(=O)c2ccc(C#N)s2)C1 356553318 LDZOTHRWJVQEFR-UHFFFAOYSA-N 247.279 0.720 30 20 BCED C=CCOCC(=O)N1CC[C@@H](C)[C@@H](O)C1 357894673 XVUCAEDABXOEPB-ZJUUUORDSA-N 213.277 0.418 30 20 BCED CC#CCNC(=O)NCC1([S@@](C)=O)CC1 359096247 CDLDULNKFDPANH-OAHLLOKOSA-N 228.317 0.220 30 20 BCED Cc1ncc(CNC(=O)CC#N)c(O)n1 358131864 XWHGPWVURRMWMT-UHFFFAOYSA-N 206.205 0.021 30 20 BCED C[C@@H](NC(=O)c1cnn(C)c1C#N)c1ccon1 356634504 MEBUFFUZQHYVSW-SSDOTTSWSA-N 245.242 0.771 30 20 BCED C[C@@H](CN1CCOCC1)C(=O)NC1(C#N)CC1 535760909 JPZYYGXXOKBFQE-JTQLQIEISA-N 237.303 0.127 30 20 BCED C=CCOCC(=O)N(C)C1CCN(C)CC1 354224789 ZPWYEBHGGKBLHY-UHFFFAOYSA-N 226.320 0.742 30 20 BCED COC(=O)c1cnoc1Cn1cc(C#N)c(C)n1 359356709 ZXWPMQCCLIFBJZ-UHFFFAOYSA-N 246.226 0.886 30 20 BCED C=C[C@@](C)(O)CC(=O)NCc1nc(C)no1 352921436 JVTPUUREGOGXEN-SNVBAGLBSA-N 225.248 0.321 30 20 BCED CC[C@](C)(NC(=O)c1ccc(C#N)[nH]1)C(=O)OC 443571984 GNNSFQUAMQFSKR-LBPRGKRZSA-N 249.270 0.958 30 20 BCED C=C[C@@H](O)C(=O)N[C@@H]1CCCC[C@H]1OCC 616138150 DLIHLYCTCSDLEK-GMTAPVOTSA-N 227.304 0.997 30 20 BCED C=C[C@@](C)(CC)C(=O)N[C@@H](COC)C(=O)OC 442792922 AAXOSHGLVZGDKB-CABZTGNLSA-N 243.303 0.893 30 20 BCED C=C[C@@H](O)C(=O)N1CCCO[C@H](CC)C1 614422355 XJJFYELVTXHXDT-NXEZZACHSA-N 213.277 0.561 30 20 BCED C=C[C@@H](C)NC(=O)[C@@H]1CCCc2nn[nH]c21 612262643 CCVLNYABAXUSFP-HTQZYQBOSA-N 220.276 0.915 30 20 BCED C=C[C@@H](CO)NC(=O)c1cccc(C(=O)NC)c1 356853237 YIIUTSPPAJSWHN-NSHDSACASA-N 248.282 0.323 30 20 BCED C=C[C@](C)(O)C(=O)NCCc1ccc(CO)cc1 613264232 GUINUTIDKROQCJ-AWEZNQCLSA-N 249.310 0.775 30 20 BCED C=C[C@H](O)C(=O)N[C@@H]1CCCCC[C@H]1O 614886756 XOYIOWGUAAPNAF-KXUCPTDWSA-N 213.277 0.343 30 20 BCED N#CCSCC(=O)N1CC[C@]2(CCOC2)C1 154500803 NJKTZBKFTHSUJV-NSHDSACASA-N 240.328 0.882 30 20 BCED C=CCCCCNC(=O)c1nccnc1C(N)=O 274702212 NZHJBRVYLFWRMF-UHFFFAOYSA-N 248.286 0.662 30 20 BCED C#CCNC(=O)NC[C@H]1COC2(CCCC2)O1 271397918 UCZXXLMYKLOIQC-JTQLQIEISA-N 238.287 0.605 30 20 BCED CC#CCCNC(=O)NCc1cnn(C)c1C 361542303 XXDBPPFAIDZQCF-UHFFFAOYSA-N 234.303 0.941 30 20 BCED N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](CO)C1 360068188 ZSDAIEYDPLERMP-VWYCJHECSA-N 237.303 0.702 30 20 BCED C=CCN(C(=O)CS(C)(=O)=O)C1CC1 271600994 YLVTXTBISKBSLB-UHFFFAOYSA-N 217.290 0.208 30 20 BCED C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC)CO 279586237 UZZASIVZJQQZMT-HBNTYKKESA-N 227.304 0.855 30 20 BCED C=C[C@](C)(O)CC(=O)N(C)CC(=O)OCC 278808754 HZIMWBRDIKPYRF-NSHDSACASA-N 229.276 0.335 30 20 BCED C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](O)C1 628526997 ZHXKGWXWVCAKNF-QXEWZRGKSA-N 213.277 0.153 30 20 BCED C[C@@H](C#N)CNC(=O)N1CCC[C@@H](CO)C1 541017391 BVTQCURAUHEAMB-VHSXEESVSA-N 225.292 0.560 30 20 BCED C#CCN(C)C(=O)COc1cccnc1 276953307 KCQGNIGTZYGIQW-UHFFFAOYSA-N 204.229 0.552 30 20 BCED C=CC1CCN(CCS(=O)(=O)NC)CC1 621257035 DLEUGKBJLBMDFO-UHFFFAOYSA-N 232.349 0.434 30 20 BCED C=CC[C@@H](C)NC(=O)NC[C@@H](COC)OC 272938899 LTSMBJZVWZWRDX-ZJUUUORDSA-N 230.308 0.912 30 20 BCED C#CCN(CC#N)C(=O)CC[C@@H]1CCCO1 281550481 ORJPNPUOGRVKEE-NSHDSACASA-N 220.272 0.931 30 20 BCED C=CCNC(=O)c1ccc(N(C)[C@@H](C)CO)nc1 282772850 DYHSDTHKUYXCKQ-JTQLQIEISA-N 249.314 0.814 30 20 BCED C#C[C@@H](NC(=O)c1cnsn1)C(C)C 281965458 ITTSNVZVIMJDMT-SSDOTTSWSA-N 209.274 0.926 30 20 BCED CC#CC(=O)N[C@@H]1CCCc2nn(C)cc21 282440589 IATNKFJVQUCPPY-SNVBAGLBSA-N 217.272 0.937 30 20 BCED C=CCNC(=O)CNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C 282251608 BGOSWKCHNFYOKH-WCABBAIRSA-N 240.303 0.218 30 20 BCED CO/N=C/C(=O)Nc1cccc(N(C)C)n1 283261377 MRVZOZHDCMWSND-YRNVUSSQSA-N 222.248 0.718 30 20 BCED CN(CCC#N)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 289064819 JKEULYKBRPJRCM-UHFFFAOYSA-N 245.242 0.237 30 20 BCED Cn1nc(C(C)(C)C)cc1C(=O)NCC#CCO 282892151 KSCGYGWZBRQLQD-UHFFFAOYSA-N 249.314 0.443 30 20 BCED C=CCn1cc(C(=O)N[C@H]2CC[C@H](N)CC2)nn1 639032251 PEKMQWRDJYAYPN-MGCOHNPYSA-N 249.318 0.464 30 20 BCED C=CCCn1cc(C(=O)N2C[C@@H](N)C[C@@H]2C)nn1 638929399 OWLBUHPEPROSGT-UWVGGRQHSA-N 249.318 0.416 30 20 BCED C#CCO[C@@H](C)C(=O)N[C@H](C#C)C(C)C 295141049 MIGNNZNKTCLCQF-WDEREUQCSA-N 207.273 0.799 30 20 BCED CON=CC(=O)N1CC[C@@H](O)C(C)(C)C1 809793418 XNOMWRGNCKJYMU-MRVPVSSYSA-N 214.265 0.238 30 20 BCED CC1(C)C(=O)NCCN1C(=O)CCCC#N 292385639 RDVVTZHWXLJMIY-UHFFFAOYSA-N 223.276 0.417 30 20 BCED C#CCNC(=O)c1noc2c1CCCC2 299099161 HRLKPXAWXZXFMO-UHFFFAOYSA-N 204.229 0.916 30 20 BCED C=CCn1cc(C(=O)N(C)Cc2ccon2)nn1 648793101 KJTSGUVIAOVIOJ-UHFFFAOYSA-N 247.258 0.724 30 20 BCED N#Cc1ccc(C(=O)NC2CSC2)o1 702320400 ZJWQSIPLPMEZBY-UHFFFAOYSA-N 208.242 0.996 30 20 BCED C=C(C)CCNC[C@@H](O)CN(C)CCC#N 567696124 RNLGFUPUQHTNAH-GFCCVEGCSA-N 225.336 0.749 30 20 BCED CC1(C#N)CN(CCn2ccc([N+](=O)[O-])n2)C1 566417705 XIECJHHKJQXJSY-UHFFFAOYSA-N 235.247 0.637 30 20 BCED CC#CC(=O)NCCc1ccc(CO)cc1 801181594 ARCBLNFAQBFANZ-UHFFFAOYSA-N 217.268 0.861 30 20 BCED C[C@@H](C#N)CN(C)S(=O)(=O)c1ccn(C)n1 567769822 PUCGERTXKVKQDS-QMMMGPOBSA-N 242.304 0.200 30 20 BCED C#CCC[C@H](O)CNC(=O)NC(C)(C)C 717905086 ZSOPGCBNNZJJAF-VIFPVBQESA-N 212.293 0.858 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@H](C)N1CC(C)C1 563410059 SLBFJZJPAKOYRN-NWDGAFQWSA-N 240.347 0.770 30 20 BCED C=CCC(C)(C)C(=O)N1CC[C@@H](CO)[C@H](O)C1 560431492 BEAQCKABQWFCLY-WDEREUQCSA-N 241.331 0.790 30 20 BCED C=CCn1cc(C(=O)N[C@@H](CC)[C@@H](C)O)nn1 648921768 KMRITCGUTMMVFU-BDAKNGLRSA-N 238.291 0.353 30 20 BCED C=C(C)CN(C)c1nnc([C@H]2CNC(=O)C2)n1C 818062601 HQUIMOQEHWTVAJ-SECBINFHSA-N 249.318 0.431 30 20 BCED CC1(C#N)CN(C[C@@H]2CCCS(=O)(=O)C2)C1 565163070 LLYNJCSKGIAUCX-JTQLQIEISA-N 242.344 0.657 30 20 BCED C=CCNC(=O)COC(=O)[C@H](C)[C@@H](C)COC 812627246 SFEKGLOQFARXBO-VHSXEESVSA-N 243.303 0.750 30 20 BCED C#CCCCOC(=O)c1cnnn1CC 815526916 KKXQVJJVAWCMFT-UHFFFAOYSA-N 207.233 0.868 30 20 BCED C=C(C)CS(=O)(=O)N[C@@H](CCF)C(=O)O 656164151 IRKYEFMUNIKWHW-ZETCQYMHSA-N 239.268 0.295 30 20 BCED C#CCONC(=O)c1cc(F)cc2nc[nH]c12 812783835 IHXSYPVYNOFXOF-UHFFFAOYSA-N 233.202 0.997 30 20 BCED CNC(=S)NN=C[C@](C)(OC)C1CC1 814692657 ZAUMKIBMAOUGFD-VIFPVBQESA-N 215.322 0.881 30 20 BCED C=CCC(F)(F)C(=O)O[C@@H](C)C(N)=O 815310716 IDSZZWKXHIJZNI-YFKPBYRVSA-N 207.176 0.615 30 20 BCED COC[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)O 820710801 UPAFFMVLQCGCIW-XVKPBYJWSA-N 228.248 0.142 30 20 BCED C=C[C@@H](O)C(=O)OCc1nc(C(F)F)no1 820692084 CNUQQAKMPTYPJH-SCSAIBSYSA-N 234.158 0.597 30 20 BCED C#C[C@@H](CC)NC(=O)NCC(=O)NCC(F)F 491630009 NJLFZXBWJYIOJG-ZETCQYMHSA-N 247.245 0.079 30 20 BCED C#CCN(C)CCCNC(=O)c1ccc(C=O)[nH]1 491654949 BHYDVUDZLLGGLD-UHFFFAOYSA-N 247.298 0.512 30 20 BCED C=CCN(C(=O)[C@H]1NC(=O)O[C@@H]1C)C1CC1 496893153 MMLNIMKGSXWBLO-APPZFPTMSA-N 224.260 0.660 30 20 BCED C#CCN(C)CCCN1CCN(C(C)C)CC1 491045791 MYRHULQZVGVCNQ-UHFFFAOYSA-N 237.391 0.968 30 20 BCED C#CCNC(=O)N[C@H](CC)[C@@H](O)C(C)C 491745961 ZDZJYQGQVSOVAX-ZJUUUORDSA-N 212.293 0.714 30 20 BCED C#CC[C@@H](CO)NC(=O)c1cc(C2CC2)no1 820064723 KFUYHULOZAYPLL-VIFPVBQESA-N 234.255 0.666 30 20 BCED C#CCNC(=O)[C@@H](C)OC(=O)C1CCC1 823292352 OBSMBPLQFXKXMP-MRVPVSSYSA-N 209.245 0.468 30 20 BCED C#C[C@H](CC)NC(=O)N[C@H]1CCN(C2CC2)C1 491743821 LEHRYGPGFVEWBB-MNOVXSKESA-N 235.331 0.934 30 20 BCED C#C[C@@H](CC)NC(=O)c1coc(C(N)=O)c1 491565530 AENDIIPQWBQVRV-QMMMGPOBSA-N 220.228 0.520 30 20 BCED C=CCONC(=O)NCc1cn(CC=C)nn1 824577625 FIOZCEMIFPYVMW-UHFFFAOYSA-N 237.263 0.381 30 20 BCED Cc1cnc(NC(=O)[C@@](C)(C#N)CC(=O)O)o1 821141115 VNZJOJYOZZYRGM-SNVBAGLBSA-N 237.215 0.926 30 20 BCED C#CCN(CC#N)C(=O)Cc1ccoc1 490973742 MLRKWWWBXPSYHO-UHFFFAOYSA-N 202.213 0.807 30 20 BCED Cn1cncc1C(=O)O[C@@H](C#N)C1CC1 821624879 ZPNDECBLIVEHJV-VIFPVBQESA-N 205.217 0.879 30 20 BCED C#CCN(CC)C(=O)N[C@H](C)C[C@@H](C)N 491513466 CBIHCTVNYSVVGF-NXEZZACHSA-N 211.309 0.777 30 20 BCED C#CC[C@@H](NC(=O)OCCCF)C(=O)OC 496744446 YJAXLRLXTCIYSX-MRVPVSSYSA-N 231.223 0.637 30 20 BCED C=CCCNC(=O)N1CCN(C)C(=O)C1 661565102 JBKVKVDDABPLPB-UHFFFAOYSA-N 211.265 0.046 30 20 BCED C#CCN(C)CCCNC(=O)C1(O)CCCC1 491700728 KSDAQCGMPSTFPV-UHFFFAOYSA-N 238.331 0.363 30 20 BCED CN1C[C@H](COC(=O)CSCC#N)OC1=O 495664662 NOOHOBZGDIWGNW-SSDOTTSWSA-N 244.272 0.237 30 20 BCED C=C[C@H](CO)N[C@@H](C)C(=O)N(C)C(C)C 662167066 QRHNHJHNRSRMFJ-VHSXEESVSA-N 214.309 0.378 30 20 BCED C=C[C@@H](O)C(=O)Nc1cccc2c1OCCO2 822971765 ZROVVAJWTIBFSQ-SECBINFHSA-N 235.239 0.943 30 20 BCED C#C[C@@H](CCC)NC(=O)c1ccc[n+]([O-])c1 491337973 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C#Cc1cccnc1NC[C@H]1CN(C)CCN1C 853316063 GNKKHDICBZAECV-ZDUSSCGKSA-N 244.342 0.721 30 20 BCED COC[C@H](C)NN=Cc1cnc(C)n1C 853329433 JWIHZLWGPXYLCK-QMMMGPOBSA-N 210.281 0.687 30 20 BCED C#C[C@@H](CC)NC(=O)N1CCO[C@H](C#N)C1 854071213 ZCINDUDWSDVAHQ-VHSXEESVSA-N 221.260 0.332 30 20 BCED C#CCC(C)(C)C(=O)N1CCOCCN1 854694229 JQMFTKSWHMVGFT-UHFFFAOYSA-N 210.277 0.399 30 20 BCED C=CCCO[C@H](C)C(=O)N1CCN(OC)CC1 854860814 NTMQAKSRKWKVCY-LLVKDONJSA-N 242.319 0.673 30 20 BCED CC(C)C#CC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 854901666 FVAXUDKFUAFFJW-NWDGAFQWSA-N 248.326 0.915 30 20 BCED C=C[C@H](O)C(=O)N1CCCC[C@H]1[C@H](C)CO 855463768 ILPLPLYVEIRLKG-VWYCJHECSA-N 227.304 0.543 30 20 BCED O=C1C[C@H](C(=O)NO)[C@@H]2CCCC[C@H]2N1 856847317 MVSXIWQFCDPOJH-BIIVOSGPSA-N 212.249 0.187 30 20 BCED C#CC[C@@H](CCOC)Nc1cc(=O)n(C)cn1 858858527 JTUBORWEEDFANP-JTQLQIEISA-N 235.287 0.621 30 20 BCED CCCCCCCNC(=O)C(=O)NCCNC 861775194 FJFBHALUUNMKQL-UHFFFAOYSA-N 243.351 0.409 30 20 BCED C#CC[C@@H](CO)NC(=O)c1nn(C)cc1Cl 861784308 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BCED CC[C@@H](C#N)C(=O)N[C@@H]1CCCN(O)C1=O 848130299 IPWGQSWHXGTTPQ-JGVFFNPUSA-N 225.248 0.033 30 20 BCED CC(=O)Nc1cnn(CCO[C@H](C)C#N)c1 848515572 YXTFQNRXJLLQTN-MRVPVSSYSA-N 222.248 0.770 30 20 BCED CN(C)C(=NC[C@H](CO)[C@H]1CCOC1)N(C)C 849024968 HKZUSYPMRGHCCF-WDEREUQCSA-N 243.351 0.111 30 20 BCED C#C[C@@](C)(CC)NCCCN1C(=O)CNC1=O 852099248 HUQMJVYKWNWADC-LBPRGKRZSA-N 237.303 0.320 30 20 BCED C#CCOCCOC(=O)CCCC(=O)N(C)C 853914139 KPVUZHPCAWHRKX-UHFFFAOYSA-N 241.287 0.438 30 20 BCED C#C[C@@H](CC)NC(=O)NO[C@@H](CO)C(C)C 854077773 BCSJTIOBWVTYMK-UWVGGRQHSA-N 228.292 0.646 30 20 BCED C=CCCCC(=O)NCCc1nc(N)n[nH]1 854517462 AODZBMDZMPZNEQ-UHFFFAOYSA-N 223.280 0.402 30 20 BCED C#C[C@@](C)(CC)NC(=O)C[C@H]1CCC(=O)N1C 854694938 STJROWLBXHFJIO-MFKMUULPSA-N 236.315 0.915 30 20 BCED C#C[C@H](CCC)NC(=O)NCC[C@H](C)N 857109056 HIMDTJBISHLQIT-VHSXEESVSA-N 211.309 0.825 30 20 BCED C=CCn1c(-c2cn[nH]c2)nnc1N(C)OC 858899921 IBIAONUGIILMBM-UHFFFAOYSA-N 234.263 0.852 30 20 BCED C#CCCOC(=O)N[C@@]1(C)CCOC1=O 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0.218 30 20 BCED C#CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(C)C 936062984 WPTCLFLGMRGCPW-NEPJUHHUSA-N 238.331 0.360 30 20 BCED CCN(C(C)=O)C1CN(C(=O)C#CC2CC2)C1 967722237 QVHXVXAQRNCBMX-UHFFFAOYSA-N 234.299 0.479 30 20 BCED CCc1nocc1C(=O)N1CC[C@@H](NCC#N)C1 969853366 LXSWJTUPUBQIQM-SECBINFHSA-N 248.286 0.565 30 20 BCED C#CCN[C@H]1C[C@H](C)N(C(=O)CCC)C1 987839936 IXICIQRFSXMFAA-QWRGUYRKSA-N 208.305 0.999 30 20 BCED C#CCN1CCC[C@H](NC(=O)c2ccon2)[C@H]1C 993053568 PREUGNHWTSGPCA-MNOVXSKESA-N 247.298 0.891 30 20 BCED C#CCN1CCC[C@@H](NC(=O)c2cc[nH]n2)[C@H]1C 993072609 QRRDPJZNQFAKME-GHMZBOCLSA-N 246.314 0.626 30 20 BCED N#CCN[C@@H]1CCCN(C(=O)Cc2ccoc2)C1 998993926 FCIBNEOWNITZHN-GFCCVEGCSA-N 247.298 0.926 30 20 BCED C=CCN[C@H]1CCCN(C(=O)c2cccnn2)C1 1000514097 ITLZZKPOEKMWHS-NSHDSACASA-N 246.314 0.857 30 20 BCED C=CCN1CC[C@@H](NC(=O)C2CCOCC2)C1 1009882753 LPYVANIPBKXLFX-GFCCVEGCSA-N 238.331 0.790 30 20 BCED C#CCCN1CC[C@@H](NC(=O)c2ccsn2)C1 1014873824 FGELFLVDYOFQPK-SNVBAGLBSA-N 249.339 0.971 30 20 BCED C#CCN[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 1018664929 JSFHVFOKSCFJHC-NSHDSACASA-N 247.298 0.729 30 20 BCED N#CCN1CCC[C@@H]1CNC(=O)c1cnco1 1028053422 BEOOKSYQBHCEHH-SECBINFHSA-N 234.259 0.392 30 20 BCED C=CCN1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 1028856984 SCQSKVBERKHAEH-LLVKDONJSA-N 248.330 0.956 30 20 BCED C#CCN1CC[C@H](CNC(=O)c2nccs2)C1 1028888136 XBAZDDJLZBPRPM-SNVBAGLBSA-N 249.339 0.828 30 20 BCED C=CCCN1CC(NC(=O)c2cn(C)cn2)C1 1030214600 OJBMKJOHWAVMLF-UHFFFAOYSA-N 234.303 0.410 30 20 BCED C#CCN1CC(CNC(=O)[C@H]2CC[C@@H](F)C2)C1 1031927369 HAGHRNJDOLRIMD-NWDGAFQWSA-N 238.306 0.806 30 20 BCED C#CCCN1CC(N(C)C(=O)C2(C)CC2)C1 1042762987 UEZXRSZNDCELEE-UHFFFAOYSA-N 220.316 0.952 30 20 BCED Cc1c[nH]nc1C(=O)N[C@]1(C)CCN(CC#N)C1 1046307170 ASYPAAAKQDFQJQ-GFCCVEGCSA-N 247.302 0.436 30 20 BCED C#CCN[C@@H]1CN(C(=O)CSC)C[C@@H]1C 1054360867 IESDQDDSFVPUPU-VHSXEESVSA-N 226.345 0.419 30 20 BCED CC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1 1060782796 JAPZTJSKLKBIKK-JTQLQIEISA-N 245.286 0.629 30 20 BCED C#CCN1C[C@H](NC(=O)C(F)F)CC[C@H]1C 1071289153 SBZZNEJXTLMIHA-RKDXNWHRSA-N 230.258 0.854 30 20 BCED C#CCN1CC[C@@H]1CN(C)C(=O)c1ccns1 1085624542 FRCPHCNKJBFOAN-SNVBAGLBSA-N 249.339 0.923 30 20 BCED C=CCN1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 1090067615 FULNSHGLIUILCP-ZYHUDNBSSA-N 249.314 0.366 30 20 BCED CCC(=O)NCCCNc1nccnc1C#N 1094275424 YOXHIIAQWGGTQI-UHFFFAOYSA-N 233.275 0.676 30 20 BCED C#CCN1C[C@@H](C)[C@H](CNC(=O)C(F)F)C1 1101657284 PZCNHKWNVAOUCK-RKDXNWHRSA-N 230.258 0.569 30 20 BCED C=C(C)CN1C[C@H]2C(NC(=O)CSC)[C@@H]2C1 1113831862 VCPBORLHKQKRHX-NXEZZACHSA-N 240.372 0.972 30 20 BCED CC(C)(C)CC(=O)NC1[C@H]2CN(CC#N)C[C@H]12 1113873622 LQSRUMBOAUGYBD-UWVGGRQHSA-N 235.331 0.993 30 20 BCED CC/C=C(/C)C(=O)NC1[C@@H]2CN(CC#N)C[C@H]12 1113971573 MMZITZLUBVDDCM-FMRNMKQDSA-N 233.315 0.913 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1[C@@H]2CN(CCC3CC3)C[C@@H]21 1114066971 KZCWOZKDQDTFEI-XEZLXBQYSA-N 247.342 0.993 30 20 BCED N#Cc1ncn(CC(=O)c2cnccn2)c1C#N 1117079694 VDCBAMNLSGTJTA-UHFFFAOYSA-N 238.210 0.299 30 20 BCED C=CCCCn1nnnc1N1CC[C@](C)(O)C1 1120181751 UURRCXINILUPBQ-NSHDSACASA-N 237.307 0.600 30 20 BCED C=C(C)CCC(=O)N1C[C@@H](CO)[C@@H](O)C1 1120746320 OQRSKJOLFMALBM-UWVGGRQHSA-N 213.277 0.154 30 20 BCED C=CCn1c(CO)nnc1N1CCO[C@H](C)C1 1121599618 XKPMXDXBCWWCQE-SECBINFHSA-N 238.291 0.182 30 20 BCED C#CCNCC(=O)NCCN(C)CCCC 1121996659 MJSFGLUSIOTWRY-UHFFFAOYSA-N 225.336 0.057 30 20 BCED C=CCOCCNCCNC(=O)c1ccncc1 1122599918 LMIFGWROXRGKPX-UHFFFAOYSA-N 249.314 0.604 30 20 BCED C=C(CC)C(=O)NCC[S@](=O)CC 1123563785 GXRCIEIHONKZER-CYBMUJFWSA-N 203.307 0.837 30 20 BCED CC#CCNCCNC(=O)c1cnn(C)c1C 1123611734 LUIKIHHDCYZUSC-UHFFFAOYSA-N 234.303 0.071 30 20 BCED CCOCCCC(=O)NCCNCC#N 1123992926 YYZFRWDGQJFNBE-UHFFFAOYSA-N 213.281 0.032 30 20 BCED CC#CCNCCNC(=O)c1cccc(O)n1 1125308873 SGBSUMXVWWOVCI-UHFFFAOYSA-N 233.271 0.130 30 20 BCED C=CCNCCNC(=O)[C@]12CCC[C@H]1OCC2 1131223333 APMVMTRRTNHDLQ-YPMHNXCESA-N 238.331 0.837 30 20 BCED COCC#CCNCCNC(=O)C1(C)CCC1 1132451628 IAANXGZFHFFUHU-UHFFFAOYSA-N 238.331 0.532 30 20 BCED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)COC 1133413926 FQAPRCRSVOTNPG-WDEREUQCSA-N 226.320 0.529 30 20 BCED Cc1n[nH]cc1C(=O)N[C@@H](C)C[C@@H](C)NCC#N 1135157222 VEEAXZWFNWMKEJ-BDAKNGLRSA-N 249.318 0.728 30 20 BCED C#Cc1ccc(C(=O)NCCNCC#CC)nc1 1148377236 UGVLJIMVNVRCIP-UHFFFAOYSA-N 241.294 0.406 30 20 BCED CCCC(=O)NC[C@H]1CN(CC#N)CCCO1 1149014134 PIOWQGVQKJGROV-NSHDSACASA-N 239.319 0.517 30 20 BCED N#CCNCCNC(=O)[C@@H]1Cc2cccnc2C1 1149180604 FPJUDZCIKKMEAO-LLVKDONJSA-N 244.298 0.026 30 20 BCED C#CCCNCCNC(=O)[C@H](C)OCC=C 1153148425 DMUFSTZTVKQQSK-NSHDSACASA-N 224.304 0.307 30 20 BCED N#C[C@H]1CN(C(=O)c2cnn3c2CCC3)CCO1 1154050959 DEAAOTANCYQFHE-VIFPVBQESA-N 246.270 0.194 30 20 BCED C=C[C@@](C)(CC)C(=O)NCCCNCC(N)=O 1165929069 HCEXUCDIPFQBLV-LBPRGKRZSA-N 241.335 0.170 30 20 BCED C#CCNCCCNC(=O)[C@H]1C[C@]12CCOC2 1170458946 QJDBNCWTIQLXDB-YPMHNXCESA-N 236.315 0.142 30 20 BCED C=C(C)CCC(=O)N1CC[C@@H](NCCCO)C1 1182918736 MPGLHYLLGAILNG-GFCCVEGCSA-N 240.347 0.916 30 20 BCED C#C[C@@H](C)NS(=O)(=O)c1cnc(C)n1C 1198418774 GIVXMPVDONAGOT-SSDOTTSWSA-N 227.289 0.029 30 20 BCED CC[C@H](C(=O)NC[C@H](C)CNCC#N)N(C)C 1267993093 XBAHRUJIZPAEHN-GHMZBOCLSA-N 240.351 0.192 30 20 BCED Cc1nc(C(=O)O[C@H]2CCOC2=O)ccc1C#N 1317817839 AULFSRRVLUMCSU-JTQLQIEISA-N 246.222 0.734 30 20 BCED C=CCn1cnnc1SCc1cn(C)nn1 1319805734 XATWSAQRJHYLGF-UHFFFAOYSA-N 236.304 0.885 30 20 BCED C=C[C@H](COC)NC(=O)c1c[nH]c(C(N)=O)c1 1321270897 MRAIOGPPAUKWNG-MRVPVSSYSA-N 237.259 0.044 30 20 BCED CCCNC(=O)Cc1noc(CCCC#N)n1 1323996128 CLMMMIQWGCMYRH-UHFFFAOYSA-N 236.275 0.985 30 20 BCED C=CC[C@H](NC(=O)C(C)(C)CO)C(=O)OCC 1326757995 SSHVOWBRYWCDBH-VIFPVBQESA-N 243.303 0.629 30 20 BCED CCCCOCCNC(=O)C#CCOC 1330236667 HELMTKMMDZKFBT-UHFFFAOYSA-N 213.277 0.569 30 20 BCED C=C[C@@H](O)C(=O)OCC[C@H]1CCOC1 1330834557 PCALICMIXSIVMJ-RKDXNWHRSA-N 200.234 0.503 30 20 BCED C=C[C@@H](COC)NC(=O)[C@H]1CCCN1C 1332084435 OWWGLTVHBZTVFK-VHSXEESVSA-N 212.293 0.398 30 20 BCED CC(C)(C)NCC(=O)Nc1nc(C#N)c(C#N)[nH]1 1332142983 WYENFWRRFKWSCN-UHFFFAOYSA-N 246.274 0.480 30 20 BCED C#CC[C@@H](NC(=O)C1(CF)CCC1)C(=O)O 1332621322 FIVRBZXKHIMVHU-MRVPVSSYSA-N 227.235 0.719 30 20 BCED C=C[C@@H](COC)NC(=O)[C@H]1CCCC(=O)N1C 1334933384 IFEUAGWVKOISAI-VHSXEESVSA-N 240.303 0.315 30 20 BCED C=C(C)CCC(=O)N(C)CCOCCO 1336484850 KKGGJDBZLYZKAE-UHFFFAOYSA-N 215.293 0.810 30 20 BCED CCCN(C(=O)C#CCOC)[C@@H](C)C(=O)OC 1336600870 SZCUEGUOTNIKLB-JTQLQIEISA-N 241.287 0.436 30 20 BCED C#CC1(O)CN(C(=O)c2ocnc2CC)C1 1337458946 LNCYUKGBMRLMJR-UHFFFAOYSA-N 220.228 0.057 30 20 BCED C=C[C@@H](COC)NC(=O)N1CCC[C@@]1(C)CO 1338516695 HQPZVDBKPBOVGF-JQWIXIFHSA-N 242.319 0.744 30 20 BCED C#CCN(C)c1nnc(-c2cccc(O)n2)n1C 1339002737 NMCUBBYPDNIKAW-UHFFFAOYSA-N 243.270 0.652 30 20 BCED CCn1nncc1C(=O)Nc1cnn(CC#N)c1 1343895422 MLXRZCUVYLMZMR-UHFFFAOYSA-N 245.246 0.270 30 20 BCED C#CCO[C@H](C)C(=O)OCCOC1CC1 1345316880 ZXVMFPNDMPUJHI-SECBINFHSA-N 212.245 0.747 30 20 BCED CC(=O)N[C@@H](C)C(=O)N[C@H](C#N)C1CCCC1 1350850881 LIRMEDFTJQALTP-GZMMTYOYSA-N 237.303 0.710 30 20 BCED Cc1c(C#N)cccc1C(=O)N1CCOCN1 1351003276 AHUKNXOMFCTGRB-UHFFFAOYSA-N 231.255 0.801 30 20 BCED C=C[C@H](COC)NC(=O)[C@@H](CC)NC(C)=O 1351836627 QUVWIVKEHDKQHZ-NXEZZACHSA-N 228.292 0.218 30 20 BCED N#CC1(C(=O)N2CC([C@H](F)C(=O)O)C2)CCC1 1354182740 UCXHNGFIDYPMCW-QMMMGPOBSA-N 240.234 0.561 30 20 BCED CO[C@@H](CN)C(=O)NCc1ccc(C)c(C#N)c1 1354944303 TUKQSQAJAXDZPM-LBPRGKRZSA-N 247.298 0.457 30 20 BCED CC[C@H](NC(C)=O)C(=O)Nc1c[nH]nc1C#N 1438027298 VBFWRRYBZIECGA-ZETCQYMHSA-N 235.247 0.135 30 20 BCED C#CCN1CC[C@@H](NC(=O)CCCN(C)C)C1 1481705875 WCSDJFQZFMMOSN-GFCCVEGCSA-N 237.347 0.152 30 20 BCED C=C(Cl)CN1CC(NC(=O)[C@@H](C)OCC)C1 1494350015 UYSTVCGEDHXSTD-SECBINFHSA-N 246.738 0.964 30 20 BCED Cn1nncc1COC(=O)c1ccc(C#N)n1C 1515169788 XDKOAGXNBXGXMV-UHFFFAOYSA-N 245.242 0.382 30 20 BCED C#CCC[C@@H](C)OC(=O)Cn1ncnn1 1525859222 OINJPVZFKHBZFG-MRVPVSSYSA-N 208.221 0.018 30 20 BCED C[C@H]1[C@@H](O)CCN1C(=O)CC(C)(C)C#N 1556630854 MWALFJOXVZWETB-IUCAKERBSA-N 210.277 0.908 30 20 BCED N#CC1(C(=O)NCCc2ccon2)CCOCC1 1567152382 JRKNNRHJIJVWSS-UHFFFAOYSA-N 249.270 0.654 30 20 BCED C#C[C@H](CCC)NC(=O)N1CCN[C@@H]2C[C@@H]21 1574486305 MFLFCJYRRMUDKM-MXWKQRLJSA-N 221.304 0.544 30 20 BCED CC1(C)CNC[C@H]1C(=O)Nc1cnn(CC#N)c1 1576472667 DVTHCPASNOSLOE-JTQLQIEISA-N 247.302 0.591 30 20 BCED CNC[C@@H](C)CNC(=O)Nc1ccc(C#N)cn1 1578625039 HPDHBQKXJBDEBN-SECBINFHSA-N 247.302 0.930 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)CC2CNC2)C1 1580055900 AERYWHRRPJLASJ-WCBMZHEXSA-N 207.277 0.404 30 20 BCED N#CCn1cc(NC(=O)c2cccnn2)cn1 1583623285 JRNAVEGDMURVFI-UHFFFAOYSA-N 228.215 0.449 30 20 BCED C#C[C@@H](C)Nc1cc(-c2nn[nH]n2)nc(C)n1 1588326405 LGDKSPSPOLQSDT-ZCFIWIBFSA-N 229.247 0.399 30 20 BCED C#CCNc1ncc(-c2nn[nH]n2)cc1Cl 1588358581 SYDKIFPHTJKMBN-UHFFFAOYSA-N 234.650 0.960 30 20 BCED C=C[C@H](C(=O)O)N1CCOCC(F)(F)C1 1588669430 KVYXMETUAKHROB-SSDOTTSWSA-N 221.203 0.593 30 20 BCED C=C[C@@](C)(CCOC)C(=O)NC[C@H](F)C(=O)O 1588682898 RMACVADVYOEIBI-KWQFWETISA-N 247.266 0.754 30 20 BCED C=CC[C@H](NCCC1(O)CCOCC1)C(=O)O 1588746909 WQUAPIRZSHKTNI-JTQLQIEISA-N 243.303 0.537 30 20 BCED C[C@@H]1C[C@H]1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1590220249 MFFXEGZHCVPQKL-RITPCOANSA-N 244.262 0.173 30 20 BCED CC(C)(CC=NN1CCC[C@H]1CO)C(=O)O 1590654128 KLIAQABZBLKWKM-VIFPVBQESA-N 228.292 0.930 30 20 BCED C/N=C(/NC)NCc1ccccc1C(=O)O 1593788461 SXMKEBFJDROSDA-UHFFFAOYSA-N 221.260 0.680 30 20 BCED Cn1cc(C=NN[C@@H]2CCOC2)cc1C(=O)O 1600943902 DIWXMHCNWQHGCW-SECBINFHSA-N 237.259 0.436 30 20 BCED N#CCN(CC(=O)O)C(=O)Cc1cccc(O)c1 1601069573 NTBQAWORBUHSNL-UHFFFAOYSA-N 248.238 0.371 30 20 BCED N#CCN(CCC(=O)O)C(=O)c1ccccc1O 1601072571 XVQCEMPWBZVNTA-UHFFFAOYSA-N 248.238 0.833 30 20 BCED C[C@H](C#N)CN(C)c1ccncc1-c1nn[nH]n1 1602983207 GNOHXJQRYPJRKS-MRVPVSSYSA-N 243.274 0.858 30 20 BCED CC[C@H](C)OCC(=O)N(CC#N)CCC(=O)O 1604966403 YPBOTIMCGKVOOV-VIFPVBQESA-N 242.275 0.628 30 20 BCED N#CCCCC(=O)OCCCC(=O)C(=O)O 1608180578 UJISAODPJIWMEX-UHFFFAOYSA-N 227.216 0.657 30 20 BCED N#CCN1CCC[C@@](O)(C2(C(=O)O)CCC2)C1 1608188183 POFLMHIGJJDJNY-LBPRGKRZSA-N 238.287 0.592 30 20 BCED N#C[C@H]1COCCN1Cc1cccc(C(=O)O)n1 1610621173 ZBANHVLABLVCEP-JTQLQIEISA-N 247.254 0.504 30 20 BCED C#CCCN1CC[C@H](NC(=O)CCCOC)C1 1665441401 BFOQDZOHTRQTDA-LBPRGKRZSA-N 238.331 0.627 30 20 BCED C[C@H](CC(N)=O)NC(=O)Nc1ccnc(C#N)c1 1673983373 BYEMUXIRZRSBDI-SSDOTTSWSA-N 247.258 0.339 30 20 BCED C[C@@H](C#N)C(=O)N(C)[C@H](C)CNC(=O)C1CC1 1678059946 QYZVHLZAMSXDAB-DTWKUNHWSA-N 237.303 0.519 30 20 BCED C[C@@H](CCNC(=O)c1csnn1)NCC#N 1700325615 FYQYBVUDSRVWCC-ZETCQYMHSA-N 239.304 0.160 30 20 BCED C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(C(=O)C2CC2)C1 1720348630 CYGDWZJGHFXMQH-ONGXEEELSA-N 249.314 0.615 30 20 BCED C#CCN(CC)CCNC(=O)[C@H]1CO[C@@H](C)C1 1753084062 BZAXCXITMBQOOY-NWDGAFQWSA-N 238.331 0.483 30 20 BCED C#CCNC/C=C\CNC(=O)c1cc(C#N)c[nH]1 1754109887 ZTWICARONLOBLX-ARJAWSKDSA-N 242.282 0.395 30 20 BCED C#CCNC/C=C\CNC(=O)c1c(C)ncn1C 1754136883 YKNBNAUQUPTDTO-WAYWQWQTSA-N 246.314 0.237 30 20 BCED C#CCNCCCN(C)C(=O)C(C)(C)COC 1754384564 FNCDBDKFNQWDCM-UHFFFAOYSA-N 240.347 0.730 30 20 BCED CC#CCN1CC(N(C)C(=O)[C@@H](C)OCC)C1 1754568600 HOGQDOQPLQZMMD-LLVKDONJSA-N 238.331 0.577 30 20 BCED C=CCN[C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]n1 1755262097 JBYCTUNDROYCPW-DTWKUNHWSA-N 237.307 0.016 30 20 BCED Cc1cc(C(=O)N(C)C[C@@H](C)NCC#N)no1 1755576669 FTCQYXHTANRJBV-MRVPVSSYSA-N 236.275 0.557 30 20 BCED CC#CCN[C@H](C)CN(C)C(=O)CCN(C)C 1755607593 YIBTUACENGZQPE-GFCCVEGCSA-N 239.363 0.398 30 20 BCED C#CCNN=Cc1n[nH]c2cc(C(=O)O)ccc12 1776064913 MFPIWGNZFAXAGU-UHFFFAOYSA-N 242.238 0.818 30 20 BCED CC[C@@H](NN=Cc1ccccc1CO)C(=O)O 1776068189 TVRVNCBZSSJTFK-LLVKDONJSA-N 236.271 0.966 30 20 BCED C=CC[C@H](NCc1cn(CCC)nn1)C(=O)O 1776152891 LZUHEGWKXUXURK-JTQLQIEISA-N 238.291 0.807 30 20 BCED C=CCC[C@H](NCc1cc[nH]n1)C(=O)O 1776169074 QLWFOJRDLGTBBC-VIFPVBQESA-N 209.249 0.919 30 20 BCED C=CCn1cc(CNC[C@@H](OC)C(=O)O)cn1 1776190287 IEPSPPRYDKEUNW-SNVBAGLBSA-N 239.275 0.258 30 20 BCED C[C@H](NC(=O)C(C)(C)C)/C(O)=N/c1ncn[nH]1 26258710 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820064910 OTZMJJCUHRELCE-ZYHUDNBSSA-N 225.288 0.038 30 20 BCED C#C[C@H](C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 820393915 BYTRPRZWOCLFNJ-XDTLVQLUSA-N 244.294 0.966 30 20 BCED C#C[C@@H](C)NC(=O)NCCc1nccnc1C 820400956 SWHKMJYSXZSMPV-SECBINFHSA-N 232.287 0.648 30 20 BCED C#C[C@@H](C)NC(=O)N(C)CCN(C)C1CC1 820416583 HVKVPFCJYYOQAF-SNVBAGLBSA-N 223.320 0.744 30 20 BCED N#CCC1(CNC(=O)CN2CCOC2=O)CC1 822628569 UZOSHQCFTWUTAH-UHFFFAOYSA-N 237.259 0.249 30 20 BCED Cn1nncc1NC(=O)N1CCC[C@H](CC#N)C1 823220060 UEVUITKRCAHRIH-SECBINFHSA-N 248.290 0.973 30 20 BCED C#C[C@@H](C)NC(=O)NCCCCS(C)(=O)=O 823473551 AXSOOTLKNKTDDM-SECBINFHSA-N 246.332 0.132 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3C[C@H]2C(=O)O3)C1 823890937 FNQVGACMWJVDIT-JLIMGVALSA-N 249.270 0.388 30 20 BCED C=C[C@H](CC)CC(=O)NCCN1CC[C@H](O)C1 827749799 QJUABPKYZLATLC-NEPJUHHUSA-N 240.347 0.772 30 20 BCED C#Cc1cnc(NCC(F)(F)CO)nc1 827925989 WTALKOGVMMVXSG-UHFFFAOYSA-N 213.187 0.497 30 20 BCED C#CCO[C@H](C)C(=O)NCCN1CCC[C@@H]1C 828839423 BMLVOPXAGPFSRU-NWDGAFQWSA-N 238.331 0.625 30 20 BCED COC(=O)[C@]1(F)CCN(C(=O)C#CC(C)C)C1 829466789 DJSLMQYFEMPFJS-LBPRGKRZSA-N 241.262 0.759 30 20 BCED C#CC1CCN(C[C@@H](O)COCCOC)CC1 830351436 SNGXEWRDFYKJPQ-CYBMUJFWSA-N 241.331 0.356 30 20 BCED C#CC(=O)N(CCc1ccccc1)CC(=O)O 833360476 JVHQZWWDHAYTGI-UHFFFAOYSA-N 231.251 0.776 30 20 BCED CC(C)C#CC(=O)N[C@@H](C)c1nnnn1C1CC1 834369406 PVKDSKUJZHZQLJ-VIFPVBQESA-N 247.302 0.845 30 20 BCED C[C@H](O)CNN=C1CCCc2nc(N)ccc21 834982593 GOUVAWLOAVDTIH-QMMMGPOBSA-N 234.303 0.675 30 20 BCED C#CCOCCOC(=O)[C@H](CCC)OC 835226301 AIZNBTHNIWHVAK-JTQLQIEISA-N 214.261 0.995 30 20 BCED C=C(Cl)CNC(=O)N[C@@H]1CC(=O)N(CC)C1 836311410 KMMAJAZJDQFTFX-MRVPVSSYSA-N 245.710 0.659 30 20 BCED C#CCCCCNC(=O)N[C@H](C)CC(=O)NC 836359331 XEWZCAJNSZPRQH-SNVBAGLBSA-N 239.319 0.614 30 20 BCED C#C[C@H](C)NC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 836407687 RANAYUMIYHAZLD-DCAQKATOSA-N 249.314 0.461 30 20 BCED CC(=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 837307370 JYNBGENEMQWSGP-UHFFFAOYSA-N 236.315 0.727 30 20 BCED N#CCCNC(=O)NC[C@H]1CCCC[C@@H]1O 838572118 IENZGNQSGJVAET-ZJUUUORDSA-N 225.292 0.750 30 20 BCED C=CCONC(=O)N1CCC[C@@H]([C@@H](C)O)C1 838709028 MJBYEKYFXMRUGC-NXEZZACHSA-N 228.292 0.906 30 20 BCED C#CCC[C@H](C)OC(=O)CN(C)C(=O)COC 839036837 HWLDPAZYBCBARS-JTQLQIEISA-N 241.287 0.436 30 20 BCED C#CC[C@H]1NC(=O)N(C[C@@H](CC)OC)C1=O 841672311 ZPINDWGPDUAEEF-RKDXNWHRSA-N 224.260 0.355 30 20 BCED C[C@@H]1CC(=NN=c2nc3[nH][nH]cc-3c(O)n2)CO1 842527921 NBLUBIXFKGZFOA-RXMQYKEDSA-N 248.246 0.009 30 20 BCED C#CC[C@H](N[C@H]1CO[C@@H](C)C1)C(=O)OC 843411658 QNONOFPWEIRKEH-AEJSXWLSSA-N 211.261 0.318 30 20 BCED CC[C@H](C)C[C@@H](CO)NC(=O)C=NOC 844043224 ZLPMEEJDNMFDON-IUCAKERBSA-N 216.281 0.532 30 20 BCED CC#CC[C@@H](CO)NC(=O)C(=O)C(C)(C)C 844117607 FFLMUMGFPXOSJN-VIFPVBQESA-N 225.288 0.492 30 20 BCED Cc1nnsc1Cn1nc(C)c(C#N)c1N 844238281 BIWNWEPLWUTFKJ-UHFFFAOYSA-N 234.288 0.854 30 20 BCED C=C[C@H](C)ONC(=O)N[C@H](CO)CC(F)F 845625329 XOHGLYPWYPUZCE-BQBZGAKWSA-N 238.234 0.808 30 20 BCED C[C@@H]1CCC(=NNCC(=O)O)CS1 848410221 KZAJZBZIVZZAPR-ZCFIWIBFSA-N 202.279 0.932 30 20 BCED C[C@H]1CN/C(=N/CCN2Cc3ccccc3C2)N1 848996795 DCGJNTAOIVSYSG-NSHDSACASA-N 244.342 0.940 30 20 BCED C[C@H]1CN/C(=N/CCOc2cccnc2)N1 849005504 HHJMHEWLMHNIJU-VIFPVBQESA-N 220.276 0.398 30 20 BCED C#CCOCCN1CCO[C@@H](C(C)C)C1 851911525 XCLGNYBVOWKUTP-GFCCVEGCSA-N 211.305 0.993 30 20 BCED C#C[C@H](NC[C@@H]1CCC(=O)O1)[C@@H]1CCCO1 851949809 JQBKAICICCQVRK-DCAQKATOSA-N 223.272 0.462 30 20 BCED Cc1nc(C=NNc2nccn(C)c2=O)[nH]c1C 853313626 IXFJNAJGKYRHEL-UHFFFAOYSA-N 246.274 0.566 30 20 BCED CC[C@@H](NN=Cc1cnc(C)n1C)C(=O)O 853349058 RQYIRRDNZSMVIJ-SECBINFHSA-N 224.264 0.515 30 20 BCED C#CCOCCONC(=N)COC(C)(C)C 853688482 OZEQKSHKVMMJAB-UHFFFAOYSA-N 228.292 0.950 30 20 BCED C#CCOCCn1ccnc1[C@H](O)CC 853693812 POMSSGBARVRKGM-SNVBAGLBSA-N 208.261 0.976 30 20 BCED C#CCOCCn1ccc(C#N)cc1=O 853757721 ZNHSVOULAKRVAF-UHFFFAOYSA-N 202.213 0.370 30 20 BCED C#CCOCCOC(=O)Cc1cc[nH]n1 853911292 OYCWLFLUCIPJAN-UHFFFAOYSA-N 208.217 0.145 30 20 BCED CC#CC(=O)N1CCC(NC(=O)OC)CC1 856450105 REXMUFMBLHKMGE-UHFFFAOYSA-N 224.260 0.357 30 20 BCED C=C[C@H](O)C(=O)OCc1ccnc(C)c1 856937756 WRGZOPKBBWSPND-JTQLQIEISA-N 207.229 0.980 30 20 BCED CCC(C#N)(CC)C(=O)O[C@@H]1CNC(=O)C1 860611677 DVLVZKYUXZZZOO-QMMMGPOBSA-N 224.260 0.748 30 20 BCED C#CC[C@@H](NCc1nc(C)c(C)[nH]1)C(=O)OC 862390752 CFKZFHLCZORMBI-SNVBAGLBSA-N 235.287 0.681 30 20 BCED C=C[C@](C)(O)c1cn(C(C)(C)C(C)=O)nn1 864641552 CNIPIUYSEQNPTI-NSHDSACASA-N 223.276 0.996 30 20 BCED C#CCC[C@@H](O)CNC(=O)c1ncccc1OC 868036360 ACEBLQZFTSKBBQ-SNVBAGLBSA-N 248.282 0.594 30 20 BCED C=C[C@@](C)(O)C(=O)NCCC(C)(C)OC 871259222 FVNODACDNGREFZ-LLVKDONJSA-N 215.293 0.855 30 20 BCED C#CCOCCNC(=O)N1O[C@H]2C=C[C@H]1CC2 875484928 NSNRCZPTIVPLQK-QWRGUYRKSA-N 236.271 0.680 30 20 BCED N#Cc1ccc(N2CCN(C(=O)CN)CC2)cc1 877251142 YVCYYWANKWGKBR-UHFFFAOYSA-N 244.298 0.166 30 20 BCED C#CC[C@H](CO)NC(=O)Nc1cccc(C#N)n1 879927870 GSDLTPGBVZLWOL-SNVBAGLBSA-N 244.254 0.459 30 20 BCED C#CC(C)(C)NS(=O)(=O)C[C@@H](C)OC 881891245 ZZKQZVYTVYJCAB-MRVPVSSYSA-N 219.306 0.353 30 20 BCED CNC(=O)CCN(C)c1ccc(C)nc1C#N 881911017 JLZXJTLACRKHEW-UHFFFAOYSA-N 232.287 0.834 30 20 BCED Cc1nc(C#N)cc(N[C@H]2C[C@@H](O)C2)n1 882432163 CYIKIMJCAAYXLW-OTSSQURYSA-N 204.233 0.592 30 20 BCED C#C[C@@H](C)NC(=O)N1CCc2ncncc2C1 883581378 WDXXOYYIENGPLG-SECBINFHSA-N 230.271 0.566 30 20 BCED C[C@@H]1CCC(=O)CN1C(=O)CSCC#N 885097560 QOQKJLMYSKKVQF-MRVPVSSYSA-N 226.301 0.823 30 20 BCED CC[C@H](C)[C@H](NC(=O)CSCC#N)C(N)=O 895059264 UJDLXBRFOGGTAT-CBAPKCEASA-N 243.332 0.259 30 20 BCED C[C@@H]1C[C@H](N[C@@H]2CCCN(O)C2=O)CS1 895158451 IXDSOIUMSJJESC-HRDYMLBCSA-N 230.333 0.850 30 20 BCED C=CCONC(=O)NCC[C@@H](O)C1CC1 895247796 WUCZNVVGOHSYJC-SECBINFHSA-N 214.265 0.564 30 20 BCED Cn1cnc(N2CCC[C@@H](C#N)C2)cc1=O 895648502 OGQVMEVDBDXEHH-VIFPVBQESA-N 218.260 0.520 30 20 BCED C#Cc1ccc(C(=O)NCCCOCCO)cc1 897348550 IFKKELDBWAYOAQ-UHFFFAOYSA-N 247.294 0.797 30 20 BCED C#CCSCC(=O)N1CC[C@@H](O)C(C)(C)C1 897503324 WWTJMFIIXQWNDH-SNVBAGLBSA-N 241.356 0.972 30 20 BCED C=C1CN(C(=O)[C@@H](CC)C(=O)OCC)C1 898703539 RJSIUSUECOBZRG-SECBINFHSA-N 211.261 0.974 30 20 BCED C#CCCCNC(=O)c1cnc(C)n1C 900869840 HRTILAZDKGHVRC-UHFFFAOYSA-N 205.261 0.872 30 20 BCED C[C@@H]1CN=C(NN=Cc2cc(C(=O)O)co2)N1 901216075 OGERWFQXCLLFMR-ZCFIWIBFSA-N 236.231 0.249 30 20 BCED CCc1onc(C)c1C=Nn1cnn(CC)c1=O 901245388 GBYTYMORDVUURM-UHFFFAOYSA-N 249.274 0.806 30 20 BCED Cn1cncc1C=NN[C@@H]1CCC[C@H]1O 901333757 MJCSUFAMFKGQDE-NXEZZACHSA-N 208.265 0.257 30 20 BCED CC(=O)C(C)=NOCC(=O)N(C)CC1CC1 902760500 IULGGZHGHGYWEY-UHFFFAOYSA-N 226.276 0.836 30 20 BCED C#CCN(CC)C(=O)c1nc(OC)cc(OC)n1 906394812 MXCQMFHJDXKSDQ-UHFFFAOYSA-N 249.270 0.589 30 20 BCED C=C[C@H](O)C(=O)NC[C@H](CC(C)C)C(=O)O 909292422 ULYDPRUTYYBNRY-IUCAKERBSA-N 229.276 0.396 30 20 BCED C#CC[C@H](NC(=O)[C@@](C)(O)CCC)C(=O)O 910049237 UESWOYSPEKIWBK-KWQFWETISA-N 227.260 0.130 30 20 BCED C=C[C@](C)(O)C(=O)NN1CCCC[C@H]1C 912141970 QYKRLAXZVMEMPB-KOLCDFICSA-N 212.293 0.829 30 20 BCED CC#CCCCC(=O)N1CCN(C)C[C@H]1CO 912740422 XBEUFPYBLJQTLG-LBPRGKRZSA-N 238.331 0.315 30 20 BCED C#CC[C@H](CO)NC(=O)NCCCCCOC 915383797 QHNQGPPFVPFOEW-LLVKDONJSA-N 242.319 0.487 30 20 BCED CC(C)(C#N)CS(=O)(=O)N1CCCOC1 915512962 SDKZPEOLSDCUCC-UHFFFAOYSA-N 232.305 0.546 30 20 BCED N=C(N)NN=Cc1csc(C2CC2)n1 920375636 NFJABEIQAHSUOH-UHFFFAOYSA-N 209.278 0.837 30 20 BCED C#CCN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 923566862 UEAWRQHIKCJXKH-TUAOUCFPSA-N 220.316 0.856 30 20 BCED C[C@H]1CCN(C(=O)NCC#CCO)C[C@H]1C 923776797 KGVYFZMEUONIDX-WDEREUQCSA-N 224.304 0.670 30 20 BCED CC[C@@H]1COC[C@@H]1NC1CCN(CC#N)CC1 925002732 MNCDTMOIQFGRFL-YPMHNXCESA-N 237.347 0.989 30 20 BCED COCCOCCC(=O)N1CCC[C@H](C#N)C1 928227020 VYWIPCYSHPBVTM-LLVKDONJSA-N 240.303 0.802 30 20 BCED C=CCCN(C)C(=O)C(=O)N[C@H]1COC[C@H]1C 932085554 BENXFZGYSKHJKM-ZJUUUORDSA-N 240.303 0.172 30 20 BCED CCN(CCC#N)C(=O)CN1CCC[C@@H](C#N)C1 932156594 JXGOKQOGWTZNPH-LBPRGKRZSA-N 248.330 0.984 30 20 BCED C=C[C@@H](CC)CC(=O)NCCOCC(N)=O 934725470 MMNRTNVNXDTFTH-VIFPVBQESA-N 228.292 0.207 30 20 BCED C=CCN1C[C@H]2C(NC(=O)C(C)C)[C@@H]2C1 958273737 PEWMYIDBRFZCMY-NXEZZACHSA-N 208.305 0.875 30 20 BCED C=CCN1C[C@H]2C(NC(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 961471360 SGTKMTHEMGJCRE-GWOFURMSSA-N 220.316 0.875 30 20 BCED C#CCCN1C[C@@H]2C(NC(=O)[C@@H]3CCOC3)[C@H]2C1 962191554 NNFRDRWDYQTOFR-WOPDTQHZSA-N 248.326 0.093 30 20 BCED C=CCN[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 966710260 XIWHFVNWDFXZMI-GFCCVEGCSA-N 247.298 0.310 30 20 BCED C#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 969661879 YEZJQNTUWSLUIV-MROQNXINSA-N 232.327 0.856 30 20 BCED Cc1nc[nH]c1C(=O)N1CC[C@@H](NCC#N)[C@H]1C 987629331 UMDBBFOBELYCKB-NXEZZACHSA-N 247.302 0.434 30 20 BCED C#CCN[C@H]1CCN(C(=O)C(F)F)C1 1018382786 QUZYBLYTUCWKDF-ZETCQYMHSA-N 202.204 0.075 30 20 BCED C=CCN[C@H]1CCN(C(=O)c2ccnnc2)C1 1019426560 FMODPRYTGHNALV-NSHDSACASA-N 232.287 0.467 30 20 BCED Cc1nc(C(=O)N[C@H]2C[C@H](NCC#N)C2)c(C)o1 1020810414 SZSZDUREAIKCEX-MGCOHNPYSA-N 248.286 0.665 30 20 BCED 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QZRZZSLDBGVUSZ-UHFFFAOYSA-N 221.172 0.554 30 20 BCED C=CC[C@@H](NC(=O)[C@H]1CCN(C)C1)C(=O)O 227517199 VQFCKXFFSHMMCC-DTWKUNHWSA-N 226.276 0.084 30 20 BCED Cc1cnc(C(=O)NCCCC#N)cn1 230074771 NHVFDIKFPJIKGK-UHFFFAOYSA-N 204.233 0.819 30 20 BCED C=CCNC(=O)CN(CCN)Cc1ccccc1 231031820 KFZFZNAQZUSNQS-UHFFFAOYSA-N 247.342 0.750 30 20 BCED CC[C@H](CC#N)NC(=O)c1cncnc1 231034693 NPABCRZEUUZPSD-SECBINFHSA-N 204.233 0.899 30 20 BCED COCCOCCCNC(=O)CC#N 231141487 OTRTUKXKURBIKP-UHFFFAOYSA-N 200.238 0.069 30 20 BCED N#Cc1c(Cl)cccc1N1C[C@H](O)[C@H](O)C1 236613959 XJXNQMXQPNHDAQ-PHIMTYICSA-N 238.674 0.753 30 20 BCED C#CCN(CC#C)C(=O)c1ccc(C(=O)O)o1 237962626 FGSIZTGFTUDFBA-UHFFFAOYSA-N 231.207 0.686 30 20 BCED COCC/N=C(\N)NC[C@@H]1C[C@H]2CC[C@H]1C2 245396664 MBLDAMLKPVNDEN-DCAQKATOSA-N 225.336 0.973 30 20 BCED C=CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 246236648 RFVZQMFYUWCNQX-DTWKUNHWSA-N 234.321 0.116 30 20 BCED Cc1cc(CC(=O)N2CCOC[C@H]2C#N)[nH]n1 259710663 DFWNULOBTKEQGE-SNVBAGLBSA-N 234.259 0.012 30 20 BCED N/C(=N\C[C@H]1CCCCO1)NC[C@H]1CCCO1 261711264 DTCRCEMNAKTTTK-GHMZBOCLSA-N 241.335 0.639 30 20 BCED CC[C@@H](C)N/C(N)=N/CC(=O)Nc1cccnc1 262010610 WMNFLHIDRQHWKG-SECBINFHSA-N 249.318 0.723 30 20 BCED CC[C@@H](C#N)NC(=O)[C@H]1CCc2cn[nH]c2C1 266336289 ZTZOQPAVVLNKIO-WPRPVWTQSA-N 232.287 0.933 30 20 BCED C#CCNC(=O)NC[C@@]1(C)CCCC[C@@H]1O 267110430 NHBBZVCYMDBSGG-CMPLNLGQSA-N 224.304 0.860 30 20 BCED C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NC)C1 269114797 HBASEXTXQONAGG-WDEREUQCSA-N 226.320 0.788 30 20 BCED C=CCN(C(=O)CN(C)S(C)(=O)=O)C1CC1 271549329 QLIMRFBBHAOZPD-UHFFFAOYSA-N 246.332 0.055 30 20 BCED C#CCONC(=O)Cc1ccc(OC)cc1 274238319 SNVKRXGVJCCQOY-UHFFFAOYSA-N 219.240 0.919 30 20 BCED C=C[C@](C)(O)CC(=O)NC(C)(C)CO 279159369 BQBPEJFUXWJHGC-JTQLQIEISA-N 201.266 0.201 30 20 BCED C=CCN1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 279198457 FRYLIVPNCKXBNT-BDJLRTHQSA-N 239.344 0.712 30 20 BCED C#CCN(CC)S(=O)(=O)CC(=C)C 280578655 MMLCNNTUQWVSQB-UHFFFAOYSA-N 201.291 0.847 30 20 BCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN(C)C 281171445 BFNUESMSTPGXEC-PWSUYJOCSA-N 226.320 0.645 30 20 BCED C#CCN(CC#N)C(=O)c1ccc(N(C)C)nc1 281592776 UNSRCGATBYACPH-UHFFFAOYSA-N 242.282 0.747 30 20 BCED C=CCN1CC[C@@H](N(C)Cc2nc(C)n[nH]2)C1=O 282033557 QHYPIRODJOBKKB-SNVBAGLBSA-N 249.318 0.332 30 20 BCED CCN(CC#N)C(=O)[C@@H]1CC[C@H]1C(=O)OC 285068906 LCMIXDQMEDBZKW-RKDXNWHRSA-N 224.260 0.558 30 20 BCED CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCCNC1=O 285093852 ITIWHGMKILBKSZ-SKDRFNHKSA-N 237.303 0.711 30 20 BCED C=CCN1CC[C@H](N(C)Cc2cnn(C)n2)C1=O 289387636 MBVVDHNPFSAVBF-NSHDSACASA-N 249.318 0.034 30 20 BCED C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(C#N)cc1 295808027 ATEUFVREVMFDQD-OASPWFOLSA-N 232.283 0.969 30 20 BCED C#C[C@@H](NC(=O)NCC[C@H](C)O)C(C)C 297881308 GTIKGFPBAYHGQR-VHSXEESVSA-N 212.293 0.714 30 20 BCED C=CC[C@@H](CC)NC(=O)N[C@@H]1COC[C@H]1O 298345540 PAKAZHOWNPAEGZ-OPRDCNLKSA-N 228.292 0.400 30 20 BCED CC[C@](C)(C#N)C(=O)NCCOC(=O)C1CC1 298899450 KRROQYSKHHODKI-GFCCVEGCSA-N 238.287 0.996 30 20 BCED Cc1oc(C(C)C)nc1C(=O)NCC#CCO 298995512 QAJSPUZTUOISEE-UHFFFAOYSA-N 236.271 0.832 30 20 BCED CN(CC#N)[C@H](C(N)=O)c1ccccc1 299695693 VYZSNZROYLJCEA-JTQLQIEISA-N 203.245 0.668 30 20 BCED CSCCCN(C)S(=O)(=O)[C@H](C)C#N 300792056 DDMYTBROCQUUJS-MRVPVSSYSA-N 236.362 0.913 30 20 BCED CC(C)[C@H](O)Cn1cnc(C#N)c1C#N 300820953 ATAWFRCAJLESRO-SNVBAGLBSA-N 204.233 0.643 30 20 BCED C=C[C@H](NCc1c(C)nn(C)c1C)C(=O)OC 304189503 AWDZVGMIUDHJLU-NSHDSACASA-N 237.303 0.854 30 20 BCED Cc1nc(C#N)cc(N2CCO[C@@H]([C@H](C)N)C2)n1 308234318 CUOVNGDUQLHWTC-GZMMTYOYSA-N 247.302 0.209 30 20 BCED C=C[C@H](C)NS(=O)(=O)C[C@@H](C)OC 308294479 HHUNQOMBLAKPAL-JGVFFNPUSA-N 207.295 0.515 30 20 BCED Cc1nc(C#N)cc(N(CCO)C(C)C)n1 308355882 BFOMOVSVHOIJFN-UHFFFAOYSA-N 220.276 0.864 30 20 BCED Cc1nc(C#N)cc(N2C[C@@H](O)C(C)(C)C2)n1 308368662 JGPMEWYKCMAKSN-SNVBAGLBSA-N 232.287 0.864 30 20 BCED C#C[C@@H](NCC1(O)CCC1)[C@@H]1CCCO1 308899027 BIJKCILELJILSD-MNOVXSKESA-N 209.289 0.672 30 20 BCED N#Cc1ncn(CCNc2ccccn2)n1 309551772 GCRZXSIKTLHHMS-UHFFFAOYSA-N 214.232 0.657 30 20 BCED CCn1cnnc1CNc1ncncc1C#N 310257626 YOGRXHYIHKFEIP-UHFFFAOYSA-N 229.247 0.572 30 20 BCED C[C@H](/N=C(/O)[C@@H]1COCCN1C)c1cn[nH]c1 328981060 ROWHSZYIOZSILO-WPRPVWTQSA-N 238.291 0.758 30 20 BCED Cn1cc(N/C(O)=N/[C@@H]2C=C[C@H](CO)C2)cn1 329387628 QGDGHPPVASJFDK-DTWKUNHWSA-N 236.275 0.683 30 20 BCED CC(=O)N1CC(/C(O)=N/CC[C@@H]2CCOC2)C1 329993399 YJVNFAKSIOISGP-SNVBAGLBSA-N 240.303 0.848 30 20 BCED CN1CCO[C@@H](/C(O)=N/CCc2ccncc2)C1 330103915 IWOMLTFOCJWMOY-GFCCVEGCSA-N 249.314 0.911 30 20 BCED CCN(CC#N)C(=O)[C@H]1CCn2ccnc2C1 330547384 ZOBIJVVWAUWVCK-JTQLQIEISA-N 232.287 0.818 30 20 BCED Cc1nccc(N/C(O)=N/[C@H](C)CCO)n1 330862723 AHQZQWZHDMXMIS-SSDOTTSWSA-N 224.264 0.882 30 20 BCED N#CCCNC(=O)c1ccnc(N2CCCC2)n1 330903114 YHNQSPNNUDXHKQ-UHFFFAOYSA-N 245.286 0.720 30 20 BCED CNC(=O)C/N=C(/O)c1cc(C#N)oc1C 331232376 RDDSIQKSIUEPON-UHFFFAOYSA-N 221.216 0.510 30 20 BCED COCC/N=C(/O)Nc1ccn(C(C)C)n1 331243482 OFIFHODQTNGDJU-UHFFFAOYSA-N 226.280 1.436 30 20 BCED N#CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 332673060 JCDVCTROBOVMIL-UHFFFAOYSA-N 246.226 0.788 30 20 BCED C[C@H]1C(=O)N(CC(C)(C)C#N)C(=O)N1C 334259416 QIEAOVUSLGRFLH-ZETCQYMHSA-N 209.249 0.819 30 20 BCED CC(=O)N[C@H](C)C(=O)N[C@@]1(C#N)CC1(C)C 334662933 HSOCBNGQYAAGSE-RDDDGLTNSA-N 223.276 0.319 30 20 BCED C[C@H]1CN(C(=O)NCCCC#N)[C@@H](C)CN1 334951006 PGKNABPCMCTQFQ-UWVGGRQHSA-N 224.308 0.682 30 20 BCED C=CCNC(=O)N1CC[C@@H]2OCC[C@@H]2C1 335589904 PTTGIRUTIPNQEJ-ZJUUUORDSA-N 210.277 0.993 30 20 BCED C=C(C)CS(=O)(=O)N1CC[C@H](O)[C@H](C)C1 335843878 OXPYKEWVOYGPAH-ZJUUUORDSA-N 233.333 0.595 30 20 BCED CC#CCN1CCN(Cc2cnn(C)c2)CC1 336682368 DFPJOGPIRDQTIR-UHFFFAOYSA-N 232.331 0.561 30 20 BCED C=CCOCC(=O)N(CCC)CC(=O)N(C)C 339932815 WGKFGVBSXJQPCT-UHFFFAOYSA-N 242.319 0.516 30 20 BCED CC#CCN(C)C(=O)c1conc1COC 341045918 MXKSVKYIEUZXIP-UHFFFAOYSA-N 222.244 0.916 30 20 BCED C=C[C@](C)(CC)C(=O)N(C)[C@H]1COC[C@@H]1O 342305096 FHQDLYJKMVBTHR-JBLDHEPKSA-N 227.304 0.807 30 20 BCED C[C@@H]1COCC[C@@H]1CNC(=O)[C@H](C)C#N 342900490 IKQRCKVXZLSUSB-OPRDCNLKSA-N 210.277 0.935 30 20 BCED CNC(=O)[C@H](C)NC(=O)c1ccc(C#N)c(O)c1 346850850 RULBJHGFVVBGRV-ZETCQYMHSA-N 247.254 0.128 30 20 BCED CCS(=O)(=O)N1CCN(CCC#N)[C@H](C)C1 347323946 UHFPGIFDNOILFK-SNVBAGLBSA-N 245.348 0.256 30 20 BCED C=CCCCC(=O)N1C[C@@H](F)C[C@H]1C(N)=O 347373486 QXYDIEWVJNYYOX-IUCAKERBSA-N 228.267 0.767 30 20 BCED CN(CC(C)(C)C#N)C(=O)CCNC(N)=O 353252989 OWTSRLWYHNMLQA-UHFFFAOYSA-N 226.280 0.053 30 20 BCED C[C@H]1CN(c2cccnc2C#N)C[C@H]1O 357463806 FAAJLYVUTSFPDC-GZMMTYOYSA-N 203.245 0.770 30 20 BCED N#CCCn1cnc2cnccc2c1=O 357706378 LNRORFKFFOJFRG-UHFFFAOYSA-N 200.201 0.705 30 20 BCED CCC[C@@H](NC(=O)CCCC#N)C(N)=O 360614536 XWXFYMPIFTUSBH-MRVPVSSYSA-N 211.265 0.450 30 20 BCED CC[C@@H](C#N)NC(=O)c1conc1COC 362730096 USPJRVCVUWYRNK-ZETCQYMHSA-N 223.232 0.853 30 20 BCED N#CCC(=O)NC[C@H]1COC2(CCCC2)O1 369965011 PLKHPCVMTMCLAY-VIFPVBQESA-N 224.260 0.702 30 20 BCED C[C@@H]1CC(=NC(=O)[C@@H]2CCc3nccn3C2)NO1 375495276 MZOJQJBYYFBKCI-RKDXNWHRSA-N 248.286 0.684 30 20 BCED COCC#CCS[C@H](C)C(=O)OC 379378153 ABBFMFKPIRGOGW-MRVPVSSYSA-N 202.275 0.931 30 20 BCED CC(C)S(=O)(=O)NN=C[C@H]1C[C@H]1C 379390301 NLZVYMGXFYDGHY-HTQZYQBOSA-N 204.295 0.956 30 20 BCED C[C@H](N=c1cc[nH]c(C#N)n1)[C@@H]1CCCOC1 388882930 KEGDIOVGUNYMSP-VHSXEESVSA-N 232.287 0.997 30 20 BCED C=CCCS(=O)(=O)Nc1cnoc1 388923374 SDOVGPAJRWYKCY-UHFFFAOYSA-N 202.235 0.992 30 20 BCED C=CCCS(=O)(=O)N(CC)CC(=O)O 389210926 AGUQYFRHHXJUJN-UHFFFAOYSA-N 221.278 0.299 30 20 BCED CC/N=C(/NCC)NCC1(O)CCN(C)CC1 397529108 YGXJLEQAMFFBQA-UHFFFAOYSA-N 242.367 0.018 30 20 BCED C=C(C)CONC(=O)[C@@H]1CCN[C@H](C)C1 400818038 BUADNXXLBDHGPX-NXEZZACHSA-N 212.293 0.998 30 20 BCED N#Cc1cncc(Sc2nnnn2C2CC2)n1 401272373 VXMVIORCBIVUCV-UHFFFAOYSA-N 245.271 0.821 30 20 BCED C[C@H]1[C@H](CO)CCN1c1cncc(C#N)n1 401496088 DJPPGANANWALON-IUCAKERBSA-N 218.260 0.555 30 20 BCED N#Cc1ccc([C@@H](O)CN2CC[C@@H](N)C2)cc1 402217684 QOHAMJATSQHKGR-OLZOCXBDSA-N 231.299 0.625 30 20 BCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCCO1 407956397 KFLDUGGTJHAKHO-SECBINFHSA-N 247.320 0.350 30 20 BCED COC(=O)c1cc2n(CC#N)ccn2n1 409439361 RDPJLYQYIPIPKS-UHFFFAOYSA-N 204.189 0.446 30 20 BCED Cc1nc(NC(=O)[C@@H]2CCCO2)ccc1C#N 411063190 IJAWWPAOKXBDNN-JTQLQIEISA-N 231.255 1.379 30 20 BCED C[C@@H]1CCN(C(=O)NCCCC#N)C[C@@H]1CN 417995238 CVYFDFIMBNNWRW-MNOVXSKESA-N 238.335 0.916 30 20 BCED C=CC[C@@H](C)NC(=O)NCCN1CCNCC1 418305821 PBJYQOHNETVTLW-LLVKDONJSA-N 240.351 0.155 30 20 BCED COC(=O)[C@@H]1CCN(C(=O)NCCC#N)[C@@H]1C 426455830 UVDMGMRLKVVPIN-RKDXNWHRSA-N 239.275 0.493 30 20 BCED N#CCCNC(=O)Cc1csc2nccn12 427627667 AVPSJKAVOVLCFQ-UHFFFAOYSA-N 234.284 0.968 30 20 BCED COCC1(C#N)CCN(Cc2n[nH]c(C)n2)CC1 428971384 DCDCJSOLWVSNSE-UHFFFAOYSA-N 249.318 0.865 30 20 BCED COC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H](O)C1 439519531 UFBWLNAIKFGVRP-NHCYSSNCSA-N 240.303 0.582 30 20 BCED C[C@H](CCO)NC(=O)NCC(C)(C)CC#N 458421660 QHQKIGJJKMRRGX-SECBINFHSA-N 227.308 0.996 30 20 BCED 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30 20 BCED CNC(=O)[C@H](C#N)C(=O)C[C@@H]1CCCOC1 1341917687 ZDAFDIRCYCNKQD-DTWKUNHWSA-N 224.260 0.258 30 20 BCED C=CCNC(=O)[C@@H](C#N)C(=O)c1coc(CC)n1 1342596248 YZZFXJNQWTZXAL-QMMMGPOBSA-N 247.254 0.862 30 20 BCED C=C[C@@H](COC)NC(=O)c1n[nH]c2c1CCC2 1342763164 UNCNSRYPFJCKBA-QMMMGPOBSA-N 235.287 0.829 30 20 BCED N#Cc1ccc(COC(=O)C2(CO)COC2)cc1 1344477323 CIWJEKCGBAOLJL-UHFFFAOYSA-N 247.250 0.610 30 20 BCED C=C[C@@H](COC)NC(=O)[C@@H](C)Cc1cnc[nH]1 1346461516 FWEFGZIPYWFZPS-UWVGGRQHSA-N 237.303 0.906 30 20 BCED N#CCN1CCN(C(=O)[C@H]2C[C@H]2F)CC1 1346478467 POISLYLSLQYOOP-DTWKUNHWSA-N 211.240 0.012 30 20 BCED C=C(C)CCC(=O)Nc1nnnn1CCOC 1349866162 ZOBCVJVYFYRMOK-UHFFFAOYSA-N 239.279 0.614 30 20 BCED C#CCN(C)c1nnc(CCOCC)n1C 1355672233 YNAGLTCGMDOABZ-UHFFFAOYSA-N 222.292 0.464 30 20 BCED C[C@H](C#N)CNc1cc(=O)n(C)c(O)n1 1515510435 FMLXXADJXIJUPI-ZCFIWIBFSA-N 208.221 0.057 30 20 BCED C=C(CC)C(=O)NCCCS(C)(=O)=O 1518997877 NIAHMILEMBQTNZ-UHFFFAOYSA-N 219.306 0.504 30 20 BCED C=C(CC(C)C)C(=O)N1CC[C@H](CO)[C@@H](O)C1 1519987384 DSVSXHAHPFIHPM-NEPJUHHUSA-N 241.331 0.790 30 20 BCED C#CCN(C)c1nnc(C2CC(O)C2)n1CC=C 1520386715 SFUPZWYAAALVGI-UHFFFAOYSA-N 246.314 0.772 30 20 BCED Cn1c(C#N)ccc1C(=O)N1CCCC[C@@H]1CO 1540771304 CRAATWPPMTUIGC-LLVKDONJSA-N 247.298 0.884 30 20 BCED N#C[C@@H]1CC[C@H](N[C@H]2CCc3nnnn3CC2)C1 1560890944 URGGTKZZEKRDKF-VWYCJHECSA-N 246.318 0.660 30 20 BCED C=C(C)C[C@@H](CO)NC(=O)CCCCNC 1574830887 MFTLFBIYMWWYPL-NSHDSACASA-N 228.336 0.819 30 20 BCED CC1(C)CN(C[C@H](O)CC2(C#N)CC2)C[C@H]1N 1576457577 HNTIOOKHRZUULG-GHMZBOCLSA-N 237.347 0.710 30 20 BCED CC1(C)CNC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C#N 1576476859 OSOUVOZNIJEIGG-HLTSFMKQSA-N 207.277 0.260 30 20 BCED C[C@@H]1CC(=NC(=O)[C@]23C[C@H](N)C[C@H]2C3)NO1 1576623414 LAJRWCRAWRAYSZ-FBSDJGSXSA-N 223.276 0.352 30 20 BCED Cc1cnccc1CC(=O)N[C@@H]1CNC[C@@H]1C#N 1579824967 NJHCPYLLNNNEHK-NWDGAFQWSA-N 244.298 0.160 30 20 BCED N#Cc1ccc(F)cc1N[C@@H]1CNC[C@H]1O 1580067370 QBEXJDKSTUWWOI-GHMZBOCLSA-N 221.235 0.442 30 20 BCED C#C[C@H](CO)NCc1[nH]cc(C(=O)O)c1C1CC1 1588370825 ODMUDCNUZZIVSR-SECBINFHSA-N 248.282 0.674 30 20 BCED C#CC1(O)CN([C@@H](C(=O)O)[C@H](C)CC)C1 1588383022 WWSSVEIHKNPMMQ-RKDXNWHRSA-N 211.261 0.166 30 20 BCED C#CC[C@H](CO)NCc1ccc(C(=O)O)[nH]1 1588393691 INUKHDAHVUQNLW-SECBINFHSA-N 222.244 0.187 30 20 BCED C#CCN(CC(=O)O)Cc1cn(C2CCC2)nn1 1588425497 VTCGCQPTHLOZLC-UHFFFAOYSA-N 248.286 0.523 30 20 BCED C#CCC[C@@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1588434027 FWTNPBQFZXFCTR-KXUCPTDWSA-N 240.255 0.964 30 20 BCED C=C(CCC(=O)O)C(=O)N1CCO[C@@H](OC)C1 1588619092 KQMUSUHZOZOOLI-SNVBAGLBSA-N 243.259 0.239 30 20 BCED C=C(CN(C)C)C(=O)N[C@H](C)/C=C/C(=O)O 1588636386 FKSGNBMFUNBNAH-VUHVRTRXSA-N 226.276 0.250 30 20 BCED C=C[C@H](OC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)O 1588704621 HDGQBLSMZUULJT-HRDYMLBCSA-N 244.243 0.220 30 20 BCED C=CC[C@@H](C(=O)O)n1nnc(C(F)(F)F)n1 1588730966 AGLJENJIBKNJHP-BYPYZUCNSA-N 236.153 0.894 30 20 BCED C=CC[C@H](NCC(C)(C)C(=O)O)C(=O)OC 1588746755 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BIISBMGLEPPXPJ-SECBINFHSA-N 222.244 0.819 30 20 BCED CC[C@@H](O)CNN=Cc1ccc(C(=O)O)n1C 1609936915 UKAZKJZPOFIRAB-SECBINFHSA-N 239.275 0.418 30 20 BCED C[C@H](C#N)CNC(=O)C1(CO)CCOCC1 1633787421 HKZOQQMHDYVYEP-SECBINFHSA-N 226.276 0.051 30 20 BCED CC(C)[C@H](CO)NC(=O)c1ccc(C#N)[nH]1 1640901802 GFPYBPZXZMKHQF-JTQLQIEISA-N 221.260 0.633 30 20 BCED Cc1cc(NCc2nnc(N)o2)ncc1C#N 1651050232 JYJQEWGYNRNCGJ-UHFFFAOYSA-N 230.231 0.839 30 20 BCED C[C@@H](C#N)C(=O)NC[C@@H](C)NC(=O)C1(C)CC1 1704055325 UWXJYBBKYSIQJU-DTWKUNHWSA-N 237.303 0.567 30 20 BCED CC[C@H](CNC(=O)C(C)C)NC(=O)[C@@H](C)C#N 1721452280 ZROFCCLWSDOWEN-VHSXEESVSA-N 239.319 0.813 30 20 BCED CCCC(=O)NC[C@H]1CCN1C(=O)[C@H](C)C#N 1721990819 WRVMZOBKKUUIOY-NXEZZACHSA-N 237.303 0.663 30 20 BCED C#CCNC[C@@H](C)NC(=O)Cc1cnc(C)o1 1754228775 NVBRSGBXEPBYEL-SECBINFHSA-N 235.287 0.253 30 20 BCED C=CCN[C@H](C)[C@H](C)NC(=O)CCOC 1755223763 NOZMWHCHSHZLQY-ZJUUUORDSA-N 214.309 0.692 30 20 BCED CC(C)CCC(=O)NC[C@@H](CO)NCC#N 1755621865 XFDKGYAZFOUWHX-JTQLQIEISA-N 227.308 0.013 30 20 BCED C=C(CO)CN1CC[C@@H](C(=O)O)C[C@H]1C 1776141656 MDMYGXQJZXLILN-NXEZZACHSA-N 213.277 0.720 30 20 BCED C=C1C[C@@H](C(=O)O)N(Cc2nc(C)cn2C)C1 1776147221 HYDNGGOMGFTRAR-JTQLQIEISA-N 235.287 0.944 30 20 BCED C=CCN(CCCn1cnnn1)CCC(=O)O 1776179054 DZHXKZTXBCBQEM-UHFFFAOYSA-N 239.279 0.026 30 20 BCED CC#CC(=O)NCc1cc2c(cn1)OCCO2 1887504654 APLNJFXDMWKDMS-UHFFFAOYSA-N 232.239 0.492 30 20 BCED N#Cc1ccc(F)c(CNCCC(N)=O)c1 36747342 BLQRJEHIIBQNIO-UHFFFAOYSA-N 221.235 0.662 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](C)c1nncn1C 50419765 WISGSBNASUHJHQ-JGVFFNPUSA-N 221.264 0.542 30 20 BCED C=CCN(CC=C)C(=O)CN1CCO[C@H](C)C1 54172104 YLBRJUFULFCBGY-GFCCVEGCSA-N 238.331 0.908 30 20 BCED N#Cc1nccnc1NCCCc1nc[nH]n1 80588352 PCJHDARZDZQIRK-UHFFFAOYSA-N 229.247 0.511 30 20 BCED COCCN(CCOC)C(=O)C1(C#N)CCC1 83795471 CVKXDVPSKYOECA-UHFFFAOYSA-N 240.303 0.802 30 20 BCED N#CCCCCN1CCOC[C@@H]1C(=O)O 83877211 WKFKFCKGRAMDPY-SECBINFHSA-N 212.249 0.466 30 20 BCED CC[C@@H](C#N)OC(=O)CCCNC(=O)OC 84710159 PZMMKLJCRWCVQL-QMMMGPOBSA-N 228.248 0.968 30 20 BCED C#CCNCC(=O)N(C)Cc1cc(C)on1 86156810 YXYTWJWUCHREPL-UHFFFAOYSA-N 221.260 0.164 30 20 BCED CCOC(=O)[C@@]1(CC)O[C@@]12CCOC2 86166190 PIQDUADJGMXUFB-NXEZZACHSA-N 200.234 0.888 30 20 BCED CNC(=O)CN(C)Cc1ccc(OC)c(C#N)c1 87833153 DPTKANNKQGOVKB-UHFFFAOYSA-N 247.298 0.745 30 20 BCED C=CCCC(=O)N[C@@H](COC)C(=O)O 88000084 YUMQQHICUQXSPS-ZETCQYMHSA-N 201.222 0.168 30 20 BCED C[C@H](C#N)S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 88485413 MOXMKALOJBCEMN-NXEZZACHSA-N 245.348 0.254 30 20 BCED C[C@H](CN1CCOCC1)N(C)CCC#N 91513282 FQTHHKIPJKMSPF-LLVKDONJSA-N 211.309 0.553 30 20 BCED CC[C@@H](C#N)C(=O)NCCCC(=O)NC1CC1 92997519 WAZOJJDRETWXSN-VIFPVBQESA-N 237.303 0.711 30 20 BCED N#Cc1ccc(CC(=O)NCCO)cc1 110506718 PIIVWRPECAADIK-UHFFFAOYSA-N 204.229 0.209 30 20 BCED CCCNC(=O)CCC(=O)N[C@H](C)C#N 110666736 UECFNGSZHHVXFE-MRVPVSSYSA-N 211.265 0.321 30 20 BCED C=CCNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 119529889 PGCUGQDFELPZBH-VHSXEESVSA-N 227.308 0.191 30 20 BCED CO[C@H](C)C(=O)[C@@H](C#N)C(=O)NC1CCCC1 120287285 OSSVAOHGHVODRY-PSASIEDQSA-N 238.287 0.789 30 20 BCED C=CCCOCCNC(=O)N[C@H](CO)C(C)C 122429530 QGBFNGRXUXCTKB-LLVKDONJSA-N 244.335 0.895 30 20 BCED C=CCCC(=O)N(CCOC)CCC(=O)O 123741513 IUTODCRIUMZQDD-UHFFFAOYSA-N 229.276 0.902 30 20 BCED C=C(C)CN(CC)C(=O)[C@H](C)NS(C)(=O)=O 123990123 DLJVGKYFCLZLJX-VIFPVBQESA-N 248.348 0.349 30 20 BCED C=CCOC(=O)c1c([N+](=O)[O-])c(C)nn1C 127981882 QBYOHNUHIBZGOF-UHFFFAOYSA-N 225.204 0.980 30 20 BCED C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(C#N)c[nH]1 130060862 ZKQIVVFVELZYEV-WCBMZHEXSA-N 249.270 0.108 30 20 BCED C=CCN(C)S(=O)(=O)c1ncn(C)c1Cl 131115140 LXWCJOFTQWPFHI-UHFFFAOYSA-N 249.723 0.880 30 20 BCED C=C(C)COCCNC(=O)[C@@H]1CCCN1C 132642849 OYEGOQAMDBUCAZ-NSHDSACASA-N 226.320 0.790 30 20 BCED C#CCNC(=O)N[C@@H]1CCc2[nH]ncc2C1 151118001 IDYCFYKCDLPPPF-SECBINFHSA-N 218.260 0.199 30 20 BCED C#CCNC1(CC(=O)OC)CCOCC1 154514766 KYAOBDHZVSBIQI-UHFFFAOYSA-N 211.261 0.322 30 20 BCED C=CC[C@H](C)NC(=O)CNCCOC 158395205 GCZNILUHISGXCK-VIFPVBQESA-N 200.282 0.303 30 20 BCED C=CCCO[C@@H](C)C(=O)Nc1nncn1C 159024051 MINVJDTUOILMOT-QMMMGPOBSA-N 224.264 0.735 30 20 BCED CN(c1ccc(C#N)nn1)[C@@H]1CCOC1 159594401 YOIPWTMOBGPDDS-SECBINFHSA-N 204.233 0.573 30 20 BCED C[C@@H]1CN(C(=O)C(C)(C)C#N)CC[C@H]1O 166247082 UEFWGHIGKSEIRZ-RKDXNWHRSA-N 210.277 0.765 30 20 BCED C[C@@H](C(=O)NCC(C)(C)C#N)S(C)(=O)=O 167193813 BEICANOYHZEVAM-ZETCQYMHSA-N 232.305 0.085 30 20 BCED C=CCCNC(=O)[C@H](C)S(C)(=O)=O 168939424 URWFAZQYPFLQLZ-ZETCQYMHSA-N 205.279 0.112 30 20 BCED C=CCSCCNC(=O)CN(C)C 170757342 JJOFBACSQPLOGA-UHFFFAOYSA-N 202.323 0.583 30 20 BCED C[C@H](CC#N)N(C)C(=O)CCn1ccnn1 170904384 APCSKPFCNYASQY-SECBINFHSA-N 221.264 0.429 30 20 BCED COCCCC/N=C(\N)N1CCOCC1 170913779 QXYVWLICMPFOTH-UHFFFAOYSA-N 215.297 0.060 30 20 BCED C=CCNC(=O)CN1CCSC[C@@H]1C 172592790 HLCMJDOHUCXYRV-VIFPVBQESA-N 214.334 0.726 30 20 BCED C=CCNC(=O)CN1CC[C@H](N(CC)CC)C1 174297571 ZHTUCHWSCXWSNB-LBPRGKRZSA-N 239.363 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248.286 0.564 30 20 BCED CC(C)(C#N)CNC(=O)c1cc2n(n1)CCCO2 360266383 QHJKUKUWKAGVSH-UHFFFAOYSA-N 248.286 0.945 30 20 BCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H]1CCC 360766800 VRHPPAKMFNFWJW-VHSXEESVSA-N 224.304 0.841 30 20 BCED Cc1nsc(N2CC(n3cncn3)C2)c1C#N 365799195 MTUWWJBKZZISBO-UHFFFAOYSA-N 246.299 0.976 30 20 BCED C[C@H](C#N)OCCSc1nc(=N)[nH][nH]1 379497617 HCNPZPTVXSTQLP-RXMQYKEDSA-N 213.266 0.238 30 20 BCED CS(=O)(=O)CCN[C@H]1CC[C@@H](C#N)C1 379577350 QLIVDKKUQTWNKM-BDAKNGLRSA-N 216.306 0.313 30 20 BCED CN(C)CC(C)(C)CN=c1nc[nH]cc1C#N 380153811 SOMYYBILGPVTJE-UHFFFAOYSA-N 233.319 0.770 30 20 BCED CN(CCCCCO)c1cc(C#N)ncn1 380725786 PJAXNHRJVHZAIR-UHFFFAOYSA-N 220.276 0.947 30 20 BCED C[C@@H](C#N)OCCN1CCC(CO)CC1 393729010 DOGVAGUUZLITOL-JTQLQIEISA-N 212.293 0.619 30 20 BCED C[S@@](=O)CCN1CCC[C@H](CC#N)C1 400542785 AWKJNUGUVYAALT-QMTHXVAHSA-N 214.334 0.991 30 20 BCED C#CCN(C)CCCN[C@@H]1CNC[C@@H](C)C1 401745247 UOYUUIFGTZXROB-STQMWFEESA-N 223.364 0.529 30 20 BCED CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2C#N)O1 408247341 UJEDEOLGLNPVTN-GMTAPVOTSA-N 238.287 0.695 30 20 BCED CCCN1C[C@H](C(=O)N[C@@H](C#N)CC)CC1=O 413309221 LFDKHEQHNMPKAA-NXEZZACHSA-N 237.303 0.663 30 20 BCED CNC[C@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 424213790 AVXJLXQUVXOJQC-LPEHRKFASA-N 209.293 0.650 30 20 BCED C=CCn1cc(CNC(=O)c2cncn2C)nn1 424908019 MUAYERHSUXBHTE-UHFFFAOYSA-N 246.274 0.128 30 20 BCED C=CCn1cc(CNC(=O)NCC(F)F)nn1 425446017 ALSDVRAIJOLNOH-UHFFFAOYSA-N 245.233 0.528 30 20 BCED C=C[C@H](CO)NC(=O)c1ccc2nccnc2n1 426859302 OPSVEAQXMYQJLC-MRVPVSSYSA-N 244.254 0.302 30 20 BCED C[C@H]1C[C@@]1(C#N)C(=O)NCCN(C)C1CC1 448792910 FCSWOGSMWDRTOI-CABZTGNLSA-N 221.304 0.747 30 20 BCED C=CCCS(=O)(=O)NCC[C@H](C)CCO 451622553 GMSPLYIRQCJPMF-JTQLQIEISA-N 235.349 0.891 30 20 BCED CCN1C[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)CC1=O 452955197 NWFZFPOEQFZIAR-SBMIAAHKSA-N 235.287 0.273 30 20 BCED C=CC(C)(C)CNC(=O)C(=O)NC1CC1 454298607 GLTYPZBMXYLYAH-UHFFFAOYSA-N 210.277 0.593 30 20 BCED 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C[C@H](C(=O)N1CC[C@](O)(CC#N)C1)n1cccn1 592839659 QNORXKIZSWNDJF-ZYHUDNBSSA-N 248.286 0.321 30 20 BCED C[C@@H](C#N)N(Cc1nncn1C)C1CC1 595713311 SHLVHUVYPSMICZ-QMMMGPOBSA-N 205.265 0.692 30 20 BCED COC[C@@H](Nc1cc(C#N)cnn1)[C@@H]1CCCO1 596214946 NPEVQNNVWCIQKX-MNOVXSKESA-N 248.286 0.954 30 20 BCED CN(C[C@@H]1COCCO1)c1ccc(C#N)nc1 596457369 NKWDLJNCRZJKFC-GFCCVEGCSA-N 233.271 0.805 30 20 BCED Cc1ccncc1CC(=O)N1CCO[C@H](C#N)C1 597166689 GAYNYFIXOZDMDW-GFCCVEGCSA-N 245.282 0.684 30 20 BCED CC[S@](=O)CC(=O)N(C)[C@H]1CCC[C@H]1C#N 603223398 ZFZTZRCNLMGBHX-PUTJDCORSA-N 242.344 0.906 30 20 BCED N#CCCSc1cc(C(N)=O)ncn1 603401043 MYAVALOBUZVCRA-UHFFFAOYSA-N 208.246 0.581 30 20 BCED CC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN1C 609619465 AHVPNCISGHICLR-ONGXEEELSA-N 209.293 0.889 30 20 BCED C[C@H](C#N)C(=O)Nc1nc2ccccn2n1 611192069 VADBOOVEBIEPEA-SSDOTTSWSA-N 215.216 0.827 30 20 BCED C=C[C@@](C)(O)C(=O)NCC[C@@H](O)CC 612481086 ZYKQFCGPKMOKLQ-WCBMZHEXSA-N 201.266 0.201 30 20 BCED 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C[C@@H](CC#N)N=c1cc[nH]c(-c2nn[nH]n2)c1 1589788060 SMMFAUKREQBLJR-ZETCQYMHSA-N 229.247 0.398 30 20 BCED Cc1nc(NCCC#N)ccc1-c1nn[nH]n1 1592387438 MDAXKJYHNXINRF-UHFFFAOYSA-N 229.247 0.896 30 20 BCED C[C@@H](O)CN(C)N=CC[C@@H](C)C(=O)O 1593456583 JSAJPKWVIXMNDH-HTQZYQBOSA-N 202.254 0.396 30 20 BCED Cc1[nH]nc(NC(=O)C2(C(=O)O)CCC2)c1C#N 1594441545 KHBQTOYHIUFYTN-UHFFFAOYSA-N 248.242 0.783 30 20 BCED CCN(Cc1cnc(C(=O)O)cn1)[C@@H](C)C#N 1596377969 GXIZTHUSCHMYTQ-QMMMGPOBSA-N 234.259 0.909 30 20 BCED CN1CCN/C1=N/CCc1cccc(C(=O)O)c1 1598626465 XMERNAVWEMCHCZ-UHFFFAOYSA-N 247.298 0.818 30 20 BCED C#CCNC(=O)c1cc(-c2nn[nH]n2)oc1C 1602722188 FUCVLLFBESZJJO-UHFFFAOYSA-N 231.215 0.131 30 20 BCED CC(C)C#CC(=O)N[C@H](C(=O)O)c1cccnc1 1603700353 STJWOUBXRJIUAD-LBPRGKRZSA-N 246.266 0.983 30 20 BCED COCC#CC(=O)NCc1ccc(C(=O)O)cn1 1606770320 MFDCONNLIOYANY-UHFFFAOYSA-N 248.238 0.046 30 20 BCED N#Cc1ccc(CN[C@H]2CCO[C@H]2C(=O)O)cc1 1608207104 BSCSRTNYMJFTON-NWDGAFQWSA-N 246.266 0.890 30 20 BCED C#CCCCN=c1cc(C)[nH]cc1-c1nn[nH]n1 1609020545 QHYNUCFSOYHOCB-UHFFFAOYSA-N 242.286 0.817 30 20 BCED N#CCC[C@@H](C#N)CN[C@H]1C[C@@H](C(=O)O)C1 1610621649 NZDRRZBCNLHFOG-LPEHRKFASA-N 221.260 0.883 30 20 BCED CCc1nc(C#N)cc(N[C@@H]2C[C@H](O)[C@H](O)C2)n1 1612920573 ZAWFKXVSCDQGBA-LETLQTKMSA-N 248.286 0.207 30 20 BCED CC1=NO[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 1627863939 WLEDAEPRWDPOIS-MRVPVSSYSA-N 244.214 0.256 30 20 BCED Cn1c(C#N)ccc1C(=O)NCc1cnc[nH]1 1634074475 SKLQCYUNJKHVOZ-UHFFFAOYSA-N 229.243 0.550 30 20 BCED CCC[C@H](OC)C(=O)Nc1nc(C#N)c(C#N)[nH]1 1640270656 HIYQLHCKRHKKSE-VIFPVBQESA-N 247.258 0.907 30 20 BCED CC(=O)N(C)[C@H](CNC(=O)[C@H](C)C#N)C1CC1 1718497796 JZSLNNSZJSKVTF-LDYMZIIASA-N 237.303 0.519 30 20 BCED C=CCN[C@H]1C[C@@H](NC(=O)COCC=C)C1 1752720176 OXGUAERXOYENOX-PHIMTYICSA-N 224.304 0.612 30 20 BCED COCCCNC[C@@H](C)NC(=O)[C@@H](C)C#N 1754219887 WETZNBRJZNKVQI-VHSXEESVSA-N 227.308 0.277 30 20 BCED C=CCCNC[C@H](C)NC(=O)[C@@H](C)NC(C)=O 1754259171 MWMYZFMJEAFADO-VHSXEESVSA-N 241.335 0.181 30 20 BCED C#CCNCCCN(C)C(=O)c1nocc1C 1754414421 FSZUUTFOJFEMAK-UHFFFAOYSA-N 235.287 0.668 30 20 BCED NC(=O)CON=Cc1ccc(CCC(=O)O)o1 1776053472 XYBHAYAXBVEFHK-UHFFFAOYSA-N 240.215 0.133 30 20 BCED CCCn1ncc(C=NNCC(=O)O)c1C 1776079184 LJGSXWXBNUGZIV-UHFFFAOYSA-N 224.264 0.610 30 20 BCED C=CCCC[C@H](NCc1cnnn1C)C(=O)O 1776172620 LLYUKJUIDYTVNN-JTQLQIEISA-N 238.291 0.714 30 20 BCED OCCCC#Cc1ccc(N2CCNCC2)nc1 1898220842 XFPMHRXJUREHRY-UHFFFAOYSA-N 245.326 0.615 30 20 BCED CC(C)(C)OC(=O)N1CCO[C@H](C#CCO)C1 2298025094 FESIZJIQDOTNRN-SNVBAGLBSA-N 241.287 0.618 30 20 BCED Cc1cccc2c1N=C(O)/C2=N\NC(=N)N 16045249 FABHGZGZVAZDTK-UHFFFAOYSA-N 217.232 0.784 30 20 BCED CC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 22109386 JCXDGAOPRCXMKJ-LDYMZIIASA-N 226.276 0.992 30 20 BCED CN(C)C(=O)CNc1ccc(C#N)cc1[N+](=O)[O-] 35121402 YASDMURWUABYKK-UHFFFAOYSA-N 248.242 0.967 30 20 BCED N#CCCNC(=O)COc1ccccc1O 36804035 IWBYMTWOPYETGS-UHFFFAOYSA-N 220.228 0.801 30 20 BCED COC(=O)CCCN(C)C(=O)C(C)(C)C#N 44351271 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CC#CCNC(=O)c1ccc2[nH]nnc2c1 154420076 VSGAGGWWLYDYQX-UHFFFAOYSA-N 214.228 0.711 30 20 BCED CC#CCNC(=O)CCCC(=O)NCC#CC 154454310 YVEAIIDBALWDDK-UHFFFAOYSA-N 234.299 0.436 30 20 BCED C=C(C)COCCNC[C@@H](O)Cn1cccn1 163833065 QNIKZUCIZLHRSR-GFCCVEGCSA-N 239.319 0.426 30 20 BCED CCN(CCC(=O)OC)C(=O)C(C)(C)C#N 171158015 JRGOWUZAUAZJFS-UHFFFAOYSA-N 226.276 0.948 30 20 BCED C#CCCCNC(=O)CCCS(C)(=O)=O 172940063 BUVLPNWPTAPIRJ-UHFFFAOYSA-N 231.317 0.341 30 20 BCED N#C[C@H]1CN(C(=O)CCc2ccoc2)CCO1 175386275 NBZIFOBQAIPGNX-NSHDSACASA-N 234.255 0.963 30 20 BCED COCC(=O)Nc1cc(C#N)ccc1O 176821647 RDIDZDMAHWWFOB-UHFFFAOYSA-N 206.201 0.849 30 20 BCED C[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1O 179457779 NWQHBPDRAXZXJV-LURJTMIESA-N 235.199 0.942 30 20 BCED C=C(C)CN(C)CN1CC(=O)N(C)C1=O 182625098 PODDSIGLAGDCBY-UHFFFAOYSA-N 211.265 0.346 30 20 BCED CC(C)OCCCC(=O)N1CCOC[C@H]1C#N 182888867 NUHFLTZUZXPNCV-LLVKDONJSA-N 240.303 0.943 30 20 BCED CC#CCCCC(=O)N[C@H]1CCS(=O)(=O)C1 184926313 SOMJCOGZPFWNON-JTQLQIEISA-N 243.328 0.483 30 20 BCED C#C[C@H](C)NC(=O)NCCC(=O)NC(C)C 186013044 RAZGWUUQRDSDNK-VIFPVBQESA-N 225.292 0.222 30 20 BCED C[C@@H](C#N)NC(=O)c1cn(C(C)(C)C)nn1 190401945 FUUITSXLGSSLHI-ZETCQYMHSA-N 221.264 0.675 30 20 BCED C=CC[C@@H](C)NS(=O)(=O)[C@H](C)C(=O)N(C)C 193928443 IRKURIXFAAMUBG-RKDXNWHRSA-N 248.348 0.347 30 20 BCED CC[C@H](C#N)NC(=O)Cn1ccc(C)cc1=O 194512419 ASSSGFXDUYTRPN-SNVBAGLBSA-N 233.271 0.575 30 20 BCED CN/C(N)=N/Cc1ccc(N2CCCC2=O)cc1 195522136 DGVOIKRBUXAZAO-UHFFFAOYSA-N 246.314 0.848 30 20 BCED C[C@H](C#N)S(=O)(=O)NC[C@@H]1CCC[C@@H](O)C1 227636447 MWLREKOXHRUIFD-OPRDCNLKSA-N 246.332 0.369 30 20 BCED CC[C@@](C)(C#N)C(=O)N[C@H](CO)COC 229130473 ZPOJLFLKGWVVRT-SCZZXKLOSA-N 214.265 0.050 30 20 BCED C#CCCCCNC(=O)N(C)[C@H](C)C(=O)O 229755825 PXRWVCFNQFXKTO-SECBINFHSA-N 226.276 0.904 30 20 BCED C=CCN(CC(=O)OCC)C(=O)C(F)F 233683433 LZNGXAZNWKBYHW-UHFFFAOYSA-N 221.203 0.829 30 20 BCED C[C@H](C#N)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 252661355 IPVRERSAVYLMQX-OUAUKWLOSA-N 237.303 0.125 30 20 BCED Cc1coc(C(=O)N2CCOC[C@H]2C#N)c1 259739180 FZGAFXBOIXDHEP-SECBINFHSA-N 220.228 0.953 30 20 BCED Cc1cc(C(=O)N2CCO[C@H](C#N)C2)[nH]n1 260024033 VWRDQISRWCGPNB-MRVPVSSYSA-N 220.232 0.083 30 20 BCED C[C@H]1CCCN(/C(N)=N/Cc2ccn(C)n2)C1 263038537 SMQLQZQVWRKSCW-JTQLQIEISA-N 235.335 0.967 30 20 BCED Oc1ccc(C=NN2CCOCC2)c(O)c1 263629830 JTRITFLEVNBQEG-UHFFFAOYSA-N 222.244 0.764 30 20 BCED COc1ccccc1[C@@H](O)C/N=C(\N)NC1CC1 264104549 PCZJKPKMQBIFJJ-NSHDSACASA-N 249.314 0.795 30 20 BCED C#CCN(CC)C(=O)CCCC(=O)N(C)C 266880016 SOCYODCSRXMOOD-UHFFFAOYSA-N 224.304 0.727 30 20 BCED C=C(C)CCN1CCO[C@H](CNC(C)=O)C1 274795141 PHOHSCLFWWCAEN-GFCCVEGCSA-N 226.320 0.790 30 20 BCED C=C[C@@](C)(CC)C(=O)N[C@H](CO)COC 279977321 KVHDLNQLEPGAPZ-KOLCDFICSA-N 215.293 0.712 30 20 BCED C#CCN(CC)C(=O)NCC1([S@@](C)=O)CC1 281985508 PCRXVZUACDMVEE-MRXNPFEDSA-N 242.344 0.562 30 20 BCED C#C[C@@H](NC(=O)c1csnn1)C(C)C 282024680 LFZLJHDCWHDBIR-SSDOTTSWSA-N 209.274 0.926 30 20 BCED C=CCCON1C(=O)N[C@@]2(CCOC2)C1=O 287824915 VQKIGFOFZRRWJF-SNVBAGLBSA-N 226.232 0.205 30 20 BCED C=C[C@@](C)(O)CC(=O)NCc1cc(C)no1 289976619 XQMFTRUXMCUZMQ-LLVKDONJSA-N 224.260 0.926 30 20 BCED C=C[C@H](CO)NC(=O)NCCn1cc(C)cn1 290983005 KCMWGJDQWTTZDZ-SNVBAGLBSA-N 238.291 0.038 30 20 BCED C#CCONC(=O)[C@@H]1OCCc2ccccc21 291236772 KVWVYBZALCJXBY-GFCCVEGCSA-N 231.251 0.981 30 20 BCED C#CCN(C)C(=O)NCCCC(=O)NC1CC1 292226603 DOFKYWYPXBUKHK-UHFFFAOYSA-N 237.303 0.320 30 20 BCED C=CCN(CCC#N)C(=O)[C@H]1CCC(=O)N1 292291448 IJAWWPRPNLUNPQ-SECBINFHSA-N 221.260 0.193 30 20 BCED N#Cc1ccc(CNC[C@H]2CC[C@@H](CO)O2)o1 292629254 JKRPFASRAXXCGZ-NEPJUHHUSA-N 236.271 0.781 30 20 BCED CCc1ccc(C#CC(=O)N[C@H](C)C(N)=O)cc1 292671596 JTPDZKIYLFSPNY-SNVBAGLBSA-N 244.294 0.591 30 20 BCED C#CCN(CC#N)C(=O)c1cncc(O)c1 300905903 XBYWURWLPBUIFV-UHFFFAOYSA-N 215.212 0.386 30 20 BCED C[C@@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)nn1 301954565 KEZMXLXGQQRFFK-GXSJLCMTSA-N 248.286 0.954 30 20 BCED C[C@H](CC#N)N(C)C[C@H](O)CN1CCCC1=O 303372670 LYIKXIAIXMKYMC-MNOVXSKESA-N 239.319 0.204 30 20 BCED Cc1nc(SCC(N)=O)ccc1C#N 306203593 CPXPYVMWAKDUDX-UHFFFAOYSA-N 207.258 0.839 30 20 BCED C[C@@H]1CN(CCC#N)C[C@@H](C)S1=O 306672988 MPCWRKFJFORHRM-RKDXNWHRSA-N 200.307 0.741 30 20 BCED C=C[C@H](C)NC(=O)c1c(C)nn(C)c1N 308838304 MGPWRPVCXDFBCF-LURJTMIESA-N 208.265 0.615 30 20 BCED COC[C@H](O)CNc1cccc(CC#N)n1 309956933 IUASMPMNASQMQO-SNVBAGLBSA-N 221.260 0.567 30 20 BCED Cc1ccc(C#N)c(N2CCC(O)(CO)CC2)n1 313630154 FDUGCEKKBONFIS-UHFFFAOYSA-N 247.298 0.585 30 20 BCED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCCO1 329543515 FMOFQDFLQSEODE-SECBINFHSA-N 241.291 0.549 30 20 BCED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCOC3)CCO1 329741754 OXSXLRHVNILEKQ-JFGNBEQYSA-N 236.271 0.164 30 20 BCED CC1(CN/C(O)=N/C[C@@H]2CC[C@H](O)C2)COC1 329914045 CGSIIWSXJLKLIW-ZJUUUORDSA-N 242.319 0.688 30 20 BCED CC(=O)N1CC(/C(O)=N/[C@@H]2CCOC[C@@H]2C)C1 330347566 HUHHAKHPMPQRBY-GZMMTYOYSA-N 240.303 0.846 30 20 BCED Cc1nn(C)cc1[C@@H](C)N/C(O)=N/CCO 330536482 VQXDZBAAOHZSOC-SSDOTTSWSA-N 226.280 0.285 30 20 BCED CCOCCN1CCN(C(=O)CC#N)CC1 331069884 RRQXHYFJAMEYSZ-UHFFFAOYSA-N 225.292 0.081 30 20 BCED CCC(=O)N1CCN(c2nccnc2C#N)C1 333422975 JMWZVMNRQQJISM-UHFFFAOYSA-N 231.259 0.364 30 20 BCED C[C@H]1[C@@H](C(=O)N(CC#N)CC#N)C1(F)F 334594469 KTLPYFBDTYEGRP-BQBZGAKWSA-N 213.187 0.763 30 20 BCED C[C@@H]1CN(C)CCN1C(=O)c1cc(C#N)c[nH]1 335294963 CUKBXGZYHMRQEP-SECBINFHSA-N 232.287 0.662 30 20 BCED CC[C@H]1C[C@@H](C(=O)N(C)CC#N)CC(=O)N1 335903549 VBAPDIFNPOSLLR-BDAKNGLRSA-N 223.276 0.273 30 20 BCED N#CCC(=O)N1CC[C@@H](O)C12CCCC2 335970603 PQNIEPOKULEPDN-SECBINFHSA-N 208.261 0.806 30 20 BCED CC#CCN1CCC[C@H](CNS(C)(=O)=O)C1 336660699 BAHWIQUSQOPMFL-LLVKDONJSA-N 244.360 0.271 30 20 BCED C=CCOC[C@@H](N[C@H](C)COC)C(=O)OC 336767252 PQFSEHYTDZLRIL-NXEZZACHSA-N 231.292 0.355 30 20 BCED COc1cnc(C(=O)N[C@@H](C)C#N)nc1 339323509 MDGYUVWGXNMUEP-LURJTMIESA-N 206.205 0.127 30 20 BCED C=CCNC(=O)NCc1ccnc(N(C)C)n1 342704800 MWKJNRXUOHEGMB-UHFFFAOYSA-N 235.291 0.528 30 20 BCED N#CCNC(=O)Cn1cnc2sccc2c1=O 342762818 YFSWQALSEAIWMU-UHFFFAOYSA-N 248.267 0.098 30 20 BCED CC[C@@H](C#N)NC(=O)CCCNC(=O)C1CC1 343432380 LLODNWXANQICTN-JTQLQIEISA-N 237.303 0.711 30 20 BCED CO[C@@H](C)CNC(=O)c1cnccc1C#N 345317243 AKJDCTSGGTZBBQ-QMMMGPOBSA-N 219.244 0.718 30 20 BCED CC(C)(C#N)CCN1C[C@H](O)C[C@@H]1CO 346974752 FTPVVKCHERZRHF-NXEZZACHSA-N 212.293 0.354 30 20 BCED CC(C)(C#N)CC(=O)NC[C@@H]1CC[C@@H](CO)O1 349701513 HASIHTZGKLBLHM-UWVGGRQHSA-N 240.303 0.582 30 20 BCED CC#CCCNC(=O)CS(=O)(=O)CCC 354112931 OHDGHKUHEVAVRB-UHFFFAOYSA-N 231.317 0.341 30 20 BCED C=C[C@](C)(O)CC(=O)N1CC(C)(OC)C1 355555338 CPXROSAMDSRTDP-JTQLQIEISA-N 213.277 0.561 30 20 BCED N#CCC1(O)CN(C(=O)c2c[nH]nc2C2CC2)C1 356556560 QEAIVMYXVLNIIX-UHFFFAOYSA-N 246.270 0.388 30 20 BCED C=C[C@@H](CO)NC(=O)CCCn1cccc1 356851865 VGNZNAAPVZRFQC-NSHDSACASA-N 222.288 0.931 30 20 BCED C=C[C@@H](CO)NC(=O)c1c(CC)noc1C 356859978 KQKLOMHTKWXBGS-QMMMGPOBSA-N 224.260 0.822 30 20 BCED C[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@H](CO)O1 356981579 NCWTXCWDVAKZEU-NXEZZACHSA-N 240.303 0.534 30 20 BCED C=CCCN(CCNS(C)(=O)=O)C1CC1 361376957 HNKIUARKOYIIER-UHFFFAOYSA-N 232.349 0.576 30 20 BCED C#CCCCC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 365220308 GHMKDCMDMAPTAE-GVXVVHGQSA-N 248.326 0.902 30 20 BCED C[C@@H]1CC(=NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)NO1 366933728 MFPKMAUIUXWJOU-FKTZTGRPSA-N 248.286 0.762 30 20 BCED C[C@@H]1CN/C(=N/CCCN2CCCC2)N1 379835451 ZQDUHLATAPPMAL-SNVBAGLBSA-N 210.325 0.410 30 20 BCED C[C@H](CNCc1ccc(C#N)o1)S(C)(=O)=O 381035148 BDXILYIZCQYEEY-MRVPVSSYSA-N 242.300 0.674 30 20 BCED C=C[C@@H](NCCCOC(F)F)C(=O)O 398118267 GRUPSXYKYYSHMZ-ZCFIWIBFSA-N 209.192 0.845 30 20 BCED CNC(=O)[C@H]1CCCN(c2cncc(C#N)n2)C1 401321723 JRCHZDJQCKXPGO-VIFPVBQESA-N 245.286 0.311 30 20 BCED N#Cc1ccc(CNCCC(N)=O)cc1F 404166168 SOGYAWSOXUEKTQ-UHFFFAOYSA-N 221.235 0.662 30 20 BCED N#CC1CCN(c2ccc(C(=O)O)nn2)CC1 409431306 NBSZVJWESNLMPG-UHFFFAOYSA-N 232.243 0.915 30 20 BCED C=CCC[C@@H](CO)NC(=O)N[C@H](CN)C1CC1 418397733 JQQVAIUOFIAQLF-WDEREUQCSA-N 241.335 0.350 30 20 BCED C=CCC[C@H](CO)NC(=O)NC[C@@H](C)CNC 418402862 ZNLVPGSLRCVYEP-WDEREUQCSA-N 243.351 0.468 30 20 BCED C=C[C@@H](CO)NC(=O)NC[C@@H](CC(C)C)OC 419551046 XDDRACKVWLKTNN-WDEREUQCSA-N 244.335 0.894 30 20 BCED CO[C@@H](C)CS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 425189021 LFDSQDSGRCHJPX-LPEHRKFASA-N 246.332 0.633 30 20 BCED C[C@@H](Nc1ncc2c(c1C#N)CCC2)C(N)=O 425206416 JUFKZRPXBMRJDD-SSDOTTSWSA-N 230.271 0.728 30 20 BCED Cc1nc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)nn1C 425687912 VXHYTHSWCZQAMQ-DTWKUNHWSA-N 248.290 0.937 30 20 BCED C=CCOCC(=O)N[C@@H](C)[C@H]1CCCNC1 428943514 PNEPPIAOYNNHBP-QWRGUYRKSA-N 226.320 0.693 30 20 BCED C=CC[C@H](CO)CNS(=O)(=O)C1(C)CC1 451378898 SHOAZHRSACKBSK-VIFPVBQESA-N 233.333 0.643 30 20 BCED C=C[C@@](C)(O)CC(=O)N[C@@H]1CC(=O)N(CC)C1 452951174 LCDLAEKXFHCARI-BXKDBHETSA-N 240.303 0.051 30 20 BCED C#CCN(CC#CC)C(=O)c1cc(C)n(C)n1 490687975 GGTXPCPJBYICFH-UHFFFAOYSA-N 229.283 0.827 30 20 BCED C#CC(C)(C)NC(=O)[C@@H]1C[C@@]12CCOC2 490947566 AAZQXRFSKQYGAN-JOYOIKCWSA-N 207.273 0.941 30 20 BCED C#CCN(C)CCCNC1CCN(C=O)CC1 491072713 VDTIJNZLHYBTMK-UHFFFAOYSA-N 237.347 0.152 30 20 BCED C#C[C@H](CC)NC(=O)[C@@H]1NC(=O)O[C@@H]1C 491340208 WFCVHUOYSYCRMF-BWZBUEFSSA-N 210.233 0.011 30 20 BCED C#CCNC(=O)N1CCOC[C@@H]1C1CCC1 491438401 CEAUTHOYIYPYTR-LLVKDONJSA-N 222.288 0.830 30 20 BCED C#C[C@H](NC(=O)c1ccc(O)nn1)C(C)(C)C 491734616 LNRCFSJZJKRICU-VIFPVBQESA-N 233.271 0.960 30 20 BCED C#C[C@@H](CC)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 491756929 AWGLLCUONBBMOU-WDEREUQCSA-N 246.314 0.978 30 20 BCED C#C[C@H](CC)NC(=O)NCCC(=O)NCCC 491774037 SLZGRROIYOZYTI-SNVBAGLBSA-N 239.319 0.614 30 20 BCED C[C@H](C#N)CN(C)C(=O)[C@H]1NC(=O)O[C@H]1C 496913512 STYNXFMKZIZFPE-CSMHCCOUSA-N 225.248 0.101 30 20 BCED N#Cc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)ncn1 530517097 WNOOLNRVDNMPDD-VHSXEESVSA-N 245.286 0.804 30 20 BCED C[C@@H](C#N)CNC(=O)COC[C@@H]1CCOC1 530882584 XQPALUBJSDLZBL-VHSXEESVSA-N 226.276 0.315 30 20 BCED Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](C)C#N 531850993 CYFRBUOPZCRISO-MRVPVSSYSA-N 248.286 0.975 30 20 BCED CC(C)n1cc([C@@H](C)NCC(=O)NCC#N)cn1 542573351 OQNCRHQJOSGUQO-SNVBAGLBSA-N 249.318 0.754 30 20 BCED C=CCNC(=O)[C@@H](C)N1CCN(C)C(C)(C)C1 551046735 MWLVEHLATLSEHK-LLVKDONJSA-N 239.363 0.703 30 20 BCED C=CCN(CCC#N)C(=O)[C@@H]1CC[C@@H]1C(N)=O 563401756 FBYROYMUQMALHK-VHSXEESVSA-N 235.287 0.426 30 20 BCED N#CCCCS(=O)(=O)NCCC1(CO)CC1 569002015 TYDSWOKPQPEVNK-UHFFFAOYSA-N 246.332 0.372 30 20 BCED C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCNC1 573506125 GUBQILHBGFBODZ-IUCAKERBSA-N 210.281 0.149 30 20 BCED CN(CCC#N)C[C@H](O)CN[C@@H]1CC[C@H](F)C1 577502734 CWKAVVFPJSPGQZ-QJPTWQEYSA-N 243.326 0.673 30 20 BCED C=CCCCCN1CCO[C@H](C(N)=O)C1 584820348 QVJBCZSSTXOETP-JTQLQIEISA-N 212.293 0.529 30 20 BCED COC(=O)C#Cc1nc[nH]c2nccc1-2 585143714 IIXWWZKWDMXGEC-UHFFFAOYSA-N 201.185 0.434 30 20 BCED N#CC1(C(=O)NC[C@H]2CCCNC2=O)CCC1 588810092 FFEMFSJLTFLRED-SECBINFHSA-N 235.287 0.323 30 20 BCED CCOC(=O)CNC(=O)c1cccc(C#N)n1 589325813 WCSINPKFPZINPB-UHFFFAOYSA-N 233.227 0.246 30 20 BCED CC(C)OC(=O)[C@H](C)CN=c1nc[nH]cc1C#N 591917506 REFVYVBMOKHBML-SECBINFHSA-N 248.286 0.770 30 20 BCED N#CC[C@@]1(O)CCN(Cc2cscn2)C1 592147377 KRADYLYFSAWFJN-SNVBAGLBSA-N 223.301 0.994 30 20 BCED COCCCCN1CC[C@@](O)(CC#N)C1 592151394 ODTPDUQSJUZNLZ-NSHDSACASA-N 212.293 0.763 30 20 BCED CSC[C@@H](O)CN1CC[C@](O)(CC#N)C1 592155149 YSTBUWYSKZHRKS-VHSXEESVSA-N 230.333 0.061 30 20 BCED Cc1n[nH]c(C)c1CN1CC[C@@](O)(CC#N)C1 592524082 VBVZNJGBGIAJCO-LBPRGKRZSA-N 234.303 0.877 30 20 BCED C[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)n2)CO1 592725805 QWCUSAIFANGGFP-PSASIEDQSA-N 231.255 0.860 30 20 BCED CC#CC[C@H](CO)NC(=O)C1(C#N)CCCC1 592922121 KUXNIGXTARFVLM-LLVKDONJSA-N 234.299 0.961 30 20 BCED CC[C@H](C#N)C(=O)N[C@H](C)CN1CCCC1=O 593413716 VPLSSQASDOAOSN-NXEZZACHSA-N 237.303 0.663 30 20 BCED COC(=O)[C@H]1CN(C)CCN(CCCC#N)C1 595533570 BIMIMFBROUXYQB-NSHDSACASA-N 239.319 0.327 30 20 BCED COC[C@@H](OC)C(=O)N(CCC#N)CCC#N 596895750 XXPAERYYTCEKDF-SNVBAGLBSA-N 239.275 0.304 30 20 BCED CN1C(=O)CC[C@H]1CC(=O)N(CC#N)C1CC1 596916473 OQFIQCSNPVVMBG-JTQLQIEISA-N 235.287 0.512 30 20 BCED N#C[C@]1(NC(=O)c2ncc[nH]2)CCSC1 597029592 FXOSZRLRRDPDJE-SECBINFHSA-N 222.273 0.539 30 20 BCED C[C@H](C#N)CNC(=O)C[C@H]1CCC(=O)N1C 597201276 NANLMBRATQLTSI-RKDXNWHRSA-N 223.276 0.273 30 20 BCED Cc1nc(CC(=O)N2CCC[C@@](C)(C#N)C2)n[nH]1 597503297 TXIBNAZHEWGQRJ-LBPRGKRZSA-N 247.302 0.808 30 20 BCED CO[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)CCO1 597539739 KCEXJPFEKQQGHD-LLVKDONJSA-N 249.270 0.640 30 20 BCED CC#CCCCC(=O)NC[C@H](O)CC(=O)OC 600460320 TXBDLBMDXGRBDE-SNVBAGLBSA-N 241.287 0.220 30 20 BCED N#CCCCNC(=O)c1nc(C2CC2)no1 601202585 DAAXCJVPXOOJER-UHFFFAOYSA-N 220.232 0.981 30 20 BCED C[C@H](C#N)CNC(=O)CCN1CCCC1=O 609492408 VTQDJJQXCBAVTG-SECBINFHSA-N 223.276 0.275 30 20 BCED C=C[C@H](O)C(=O)NCc1cccc(CO)c1 612139615 NINBYGPTPIYRES-NSHDSACASA-N 221.256 0.342 30 20 BCED C=C[C@@H](O)C(=O)NC(C)(C)C(C)(C)O 613207264 VHPMOUZXFKCNCR-SSDOTTSWSA-N 201.266 0.199 30 20 BCED Cn1cnnc1CN1CC[C@](F)(C#N)C1 615647333 UVLPTQUQKWPYEP-VIFPVBQESA-N 209.228 0.253 30 20 BCED COc1coc(C(=O)NCC2(C#N)CC2)cc1=O 619617573 JNNSPJDJFDBBFE-UHFFFAOYSA-N 248.238 0.682 30 20 BCED C=C[C@@H](Nc1ccn(CCOC)n1)C(=O)OC 619701471 JTKGEVOPYVGQIQ-SECBINFHSA-N 239.275 0.669 30 20 BCED C=C[C@](C)(O)C(=O)N1C[C@H](C)[C@](C)(CO)C1 620438454 WLMFQZFFHUGUNH-DLOVCJGASA-N 227.304 0.400 30 20 BCED CC#CCN(C)C(=O)c1cnc(O)n1C 633213639 BMCBOFLINKNMBH-UHFFFAOYSA-N 207.233 0.221 30 20 BCED C=CCOCCNC[C@@H](C)S(C)(=O)=O 644618036 VVQYTUIPZBFULP-SECBINFHSA-N 221.322 0.212 30 20 BCED C=C[C@@H](O)C(=O)NCc1ccc(OC)c(O)c1 646774001 QZLZFBIMZYBWIX-SECBINFHSA-N 237.255 0.564 30 20 BCED C=CCn1cc(C(=O)NCc2cc(C)on2)nn1 648258340 KJWITTUPZQZTNH-UHFFFAOYSA-N 247.258 0.691 30 20 BCED C=CCNC(=O)NCc1ccnn1CC 660205554 CYJRNDCKIYILMV-UHFFFAOYSA-N 208.265 0.888 30 20 BCED C=CCCOCC(=O)NCc1cc(C)ncn1 677465364 LHSHEXFVKOGIFU-UHFFFAOYSA-N 235.287 0.994 30 20 BCED CC#CCCNC(=O)NCCCn1cncn1 681508480 HUQAUDCOEVYLJK-UHFFFAOYSA-N 235.291 0.381 30 20 BCED C=CCN(C)C(=O)NCCOC[C@H]1CCOC1 681649195 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237.230 0.645 30 20 BCED C#CC[C@H](CO)NC(=O)[C@@H]1CCSC1 717783386 KEVJOXWWHFCXHB-RKDXNWHRSA-N 213.302 0.240 30 20 BCED C#CC[C@@H](CO)NC(=O)C1(OC)CCCCC1 717824819 UVYZWSGOQOPUOH-NSHDSACASA-N 239.315 0.836 30 20 BCED C#CCNC(=O)CN(Cc1ccoc1)C1CC1 723725238 OCKURRAQHBLPHS-UHFFFAOYSA-N 232.283 0.993 30 20 BCED CCN1CCCN(CC(=O)NCCC#N)CC1 726870827 OUBODXWDTVGNBI-UHFFFAOYSA-N 238.335 0.044 30 20 BCED C#Cc1ccc(C(=O)OCCn2cncn2)nc1 729012786 UWWVQDBNPLTHCO-UHFFFAOYSA-N 242.238 0.511 30 20 BCED C#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2C)nc1 729532663 GJKOXCCCMSNUOI-VIFPVBQESA-N 243.266 0.023 30 20 BCED C#CCN1CCC[C@H]1C(=O)NCC(C)C 730095393 GVTSOLUJMJAFHX-NSHDSACASA-N 208.305 0.856 30 20 BCED C[C@@H](OC(=O)c1cc(C#N)c[nH]1)C(=O)NC1CC1 748222847 KJSDRHQVMMLUQC-SSDOTTSWSA-N 247.254 0.710 30 20 BCED C#CCNC(=O)CNc1ccc(F)c(C(N)=O)c1 749261564 IPQZFAZYVREVQQ-UHFFFAOYSA-N 249.245 0.086 30 20 BCED N#CCN(CC[C@H]1CCOC1=O)C1CC1 753843019 AMPLFYFXHMGLDX-VIFPVBQESA-N 208.261 0.928 30 20 BCED 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JLTPTBBQVYZJPP-JTQLQIEISA-N 231.317 0.779 30 20 BCED N#Cc1ccc(C(=O)NC[C@@H](CO)C2CC2)cn1 358313437 UWTYAFVLNISZSI-NSHDSACASA-N 245.282 0.702 30 20 BCED N#CCNC(=O)CNc1cccc2c1CCO2 359671565 GDOIBHVTPBHCHB-UHFFFAOYSA-N 231.255 0.673 30 20 BCED CC#CCCN1CCN(C(C)(C)C(N)=O)CC1 360456187 QMOHGHDGXYQNNR-UHFFFAOYSA-N 237.347 0.281 30 20 BCED COCCn1cc(NC(=O)NCCC#N)cn1 362461965 ZZNQJQVDROYMDU-UHFFFAOYSA-N 237.263 0.565 30 20 BCED C[C@@H]1CN(C)C[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N 362876004 OBOCXRPKXISZIZ-RHYQMDGZSA-N 235.331 0.993 30 20 BCED C=CCC(CC=C)C(=O)N1C[C@H](O)C[C@H]1CO 371513664 GYAIQGUBWODCLL-NWDGAFQWSA-N 239.315 0.709 30 20 BCED C[C@@H](C#N)OCCn1nc2ccccn2c1=O 379740501 KJGRHAQJOHKTAH-VIFPVBQESA-N 232.243 0.425 30 20 BCED C#CCN(CC#CC)C(=O)CSCC(=O)O 381475031 NSNBZWINHAQEBP-UHFFFAOYSA-N 239.296 0.289 30 20 BCED C=CCN1CC[C@@H](N[C@@H](CO)C2CC2)C1=O 381509100 VDGBZBBKBCBGDI-MNOVXSKESA-N 224.304 0.134 30 20 BCED N#C[C@@H]1CC[C@@H](NC[C@@H]2CCCC(=O)N2)C1 381628197 NGQBVDIERBLYCF-MXWKQRLJSA-N 221.304 0.937 30 20 BCED CCC(CC)[C@@H](O)CN/C(=N/C)NC 386361851 ZNBXUYCNNWOHPN-VIFPVBQESA-N 201.314 0.578 30 20 BCED C#CCNC(=S)NCCC[C@H](C)O 388593599 MTRUWRVZRBOUBH-QMMMGPOBSA-N 200.307 0.245 30 20 BCED C=CCNC(=O)CNC(=O)OCCC 393819754 OCXQMRQVXYOTLZ-UHFFFAOYSA-N 200.238 0.425 30 20 BCED C#CCNC(=O)Cn1cc(C(C)C)cn1 402012128 MMSKEWMRQDIHSY-UHFFFAOYSA-N 205.261 0.756 30 20 BCED N#Cc1ccncc1NCCN1CCCC1=O 405483403 KVIDWGDQRYSXJP-UHFFFAOYSA-N 230.271 0.988 30 20 BCED N#CCCNC(=O)N[C@@H]1CCN(C2CC2)C1 408367894 ZMMZTHBWBWYLPG-SECBINFHSA-N 222.292 0.436 30 20 BCED C=CCN(C)C(=O)[C@@H](CC(C)C)C(N)=O 412262598 RQGJBNWOMMGWQQ-VIFPVBQESA-N 212.293 0.778 30 20 BCED C=C(C)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 412263508 SZVAGCLAGZKLMR-SNVBAGLBSA-N 224.304 0.937 30 20 BCED C=CCn1cc(CNC(=O)NCCC#CC)nn1 425749508 YRAOGDCPEPJIKF-UHFFFAOYSA-N 247.302 0.677 30 20 BCED C=CC[C@H](C)NC(=O)N[C@@H](C)CC(=O)NC 454531671 RSBPNGIZJVQXKL-IUCAKERBSA-N 227.308 0.775 30 20 BCED C=C(CC)CNC(=O)N[C@@H](CO)[C@@H]1CCCO1 455527926 WGYLVISOLAGZJV-QWRGUYRKSA-N 242.319 0.792 30 20 BCED C#CCNC(=O)CCN[C@@H](C)C1CCOCC1 491202227 MUUPTGZIRGDYDX-NSHDSACASA-N 238.331 0.531 30 20 BCED C#C[C@@H](C)N(C)C(=O)[C@@H](C)CN1CCOCC1 491384119 NNHHESIJOMJQCJ-NWDGAFQWSA-N 238.331 0.435 30 20 BCED C#CCN(C)C(=O)Cn1nnc2c1CCCC2 491464708 SEYXECIKJOQYAI-UHFFFAOYSA-N 232.287 0.249 30 20 BCED C#CCN(C)C(=O)NC[C@@]1(C)CCOC1 491553505 ANACQPQYMZWNRX-LLVKDONJSA-N 210.277 0.688 30 20 BCED C#CCNC(=O)c1cc(C(F)(F)F)nn1C 491555025 OEBUXBQKTCSTMH-UHFFFAOYSA-N 231.177 0.802 30 20 BCED C#C[C@H](CC)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 491555573 RSGBHLSANHALIG-GWOFURMSSA-N 207.273 0.939 30 20 BCED C#CCNC(=O)N[C@@H]1Cc2cccc(O)c2C1 491645693 PZKINMKOSAJALE-SNVBAGLBSA-N 230.267 0.792 30 20 BCED C#CCNC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 491660484 JVEARAPZTAHTRS-GMTAPVOTSA-N 222.288 0.876 30 20 BCED C#C[C@H](NC(=O)NC[C@H]1CCCNC1)C(C)C 491708664 NPMVBPMYCJDNSA-RYUDHWBXSA-N 237.347 0.943 30 20 BCED C#CCNS(=O)(=O)CCOCC(F)(F)F 491780259 JZGPMLPXOCODHJ-UHFFFAOYSA-N 245.222 0.118 30 20 BCED C#CCN(C(=O)c1cccc[n+]1[O-])C1CC1 491806989 RZURSFBMXLLLPU-UHFFFAOYSA-N 216.240 0.558 30 20 BCED N#CCCNCCCCN1CCC[C@H]1CO 516771069 YGQHSYQZXFQDMC-LBPRGKRZSA-N 225.336 0.727 30 20 BCED CCC[C@H](C#N)NC(=O)CN1CSCC1=O 522587339 KRRGLHXUFMHQHD-MRVPVSSYSA-N 241.316 0.328 30 20 BCED C=CC[S@](=O)CC(=O)NCC(C)C 526864042 BPJTVHDVEKSDPT-ZDUSSCGKSA-N 203.307 0.693 30 20 BCED Cc1cc(C#N)cnc1C(=O)NCCOCCO 549284962 FPRMLGLYIXJQKF-UHFFFAOYSA-N 249.270 0.000 30 20 BCED COC(=O)CNC(=O)c1ncc(C#N)cc1C 549299936 NVRKNPUTDBCWKX-UHFFFAOYSA-N 233.227 0.165 30 20 BCED O=C(CCOc1ccccc1)NCC#CCO 550101421 NAXAWBLQIWGSPC-UHFFFAOYSA-N 233.267 0.567 30 20 BCED CC(C)(O)C1CN(c2cc(C#N)ncn2)C1 562420053 QQNDZAIKMGXLBC-UHFFFAOYSA-N 218.260 0.555 30 20 BCED CN1CCC[C@@H](Nc2cc(C#N)ncn2)C1=O 562437190 AUSXAWVPKSJXJA-SECBINFHSA-N 231.259 0.381 30 20 BCED C[C@@](C#N)(NC(=O)CO)C1CCCCC1 564288171 ZWNZUCSJTNBWLA-NSHDSACASA-N 210.277 0.957 30 20 BCED C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H](CO)[C@H]1C 566493660 UVCCSRVDLARGDZ-AEJSXWLSSA-N 246.332 0.321 30 20 BCED CC1(CN=c2nc[nH]cc2C#N)COC1 568818387 MARPITBMFXBERD-UHFFFAOYSA-N 204.233 0.219 30 20 BCED CC(CO)(CO)CNC[C@@H](C#N)CCC#N 568983503 KDLKVKWWMVVVCY-SNVBAGLBSA-N 225.292 0.010 30 20 BCED C[C@@H](CCC#N)N(C)CCNC(=O)N(C)C 571885565 RPUAZZHETQDZND-JTQLQIEISA-N 226.324 0.882 30 20 BCED C=CCNC(=O)[C@H](C)SCCC(=O)NC 574577232 PBIWRSIELBOETD-QMMMGPOBSA-N 230.333 0.546 30 20 BCED N#Cc1ccc(CN2CC[C@H](CO)[C@H](O)C2)nc1 577289956 XVSBLBJQSKDSCU-DGCLKSJQSA-N 247.298 0.128 30 20 BCED CN(C[C@H](O)C(F)(F)F)c1cncc(C#N)n1 579230937 HODLPTQHGAGFIN-ZETCQYMHSA-N 246.192 0.708 30 20 BCED C[C@@H]1C[C@@H]1CNC[C@H](O)CN(C)CCC#N 580184763 SNIFVGAKKRFQOH-UTUOFQBUSA-N 225.336 0.438 30 20 BCED O=C(CCNCC#CCO)Nc1ccccc1 582666330 NXGKWTDUBNAJCV-UHFFFAOYSA-N 232.283 0.601 30 20 BCED C[C@@H]1CCCN1S(=O)(=O)N1CC(C#N)C1 590089345 FISNXZKNHWILSJ-MRVPVSSYSA-N 229.305 0.171 30 20 BCED N#Cc1cccc(C(=O)N2CC(C#N)C2)n1 590484033 DSGQRGIVCBHFSQ-UHFFFAOYSA-N 212.212 0.549 30 20 BCED N#CC1CN(C(=O)[C@@H]2C[C@]23CCOC3)C1 590488071 FJNANPCDEFJDTO-ONGXEEELSA-N 206.245 0.395 30 20 BCED Cn1ccc(S(=O)(=O)NCC(C)(C)C#N)n1 592042296 DPJUUABGTFOTOR-UHFFFAOYSA-N 242.304 0.248 30 20 BCED N#CC[C@]1(O)CCN(C(=O)CC2CC2)C1 592841154 YHURULOTFRLWKT-NSHDSACASA-N 208.261 0.664 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H](C)CO[C@H]1CCOC1 593518664 LCKMOKSYJWVABJ-AXFHLTTASA-N 240.303 0.846 30 20 BCED CC[C@H](C#N)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 593521042 UOGROVGJDXPBSC-OUAUKWLOSA-N 249.314 0.806 30 20 BCED CC[C@@H](C#N)N(C)C(=O)C1(C(=O)OC)CC1 594084570 CCPVEJZCNGTNAL-QMMMGPOBSA-N 224.260 0.700 30 20 BCED CN(CCC#N)S(=O)(=O)N[C@]12CCC[C@H]1C2 594802409 JGIHWMCFIMCNBS-UWVGGRQHSA-N 243.332 0.609 30 20 BCED CC(C)CNC(=O)CCCN(C)CC#N 595304864 HHGDOTLFKBNWNM-UHFFFAOYSA-N 211.309 0.994 30 20 BCED CCN(C)C[C@H](O)CN(C1CC1)[C@H](C)C#N 595710503 RZLMEALPDMMTPG-PWSUYJOCSA-N 225.336 0.675 30 20 BCED CO[C@H](C)CNC(=O)N1CC[C@](F)(C#N)C1 595763455 DOSSGAGIYNVGGA-SCZZXKLOSA-N 229.255 0.668 30 20 BCED N#Cc1c(NC/C=C\CO)ncc2c1CCC2 596425287 XPBDYWXYJZUQRL-UPHRSURJSA-N 229.283 1.402 30 20 BCED C[C@@H](C(=O)N(C1CC1)[C@@H](C)C#N)N(C)C 598131877 NTVLZFDRGRNPAW-IUCAKERBSA-N 209.293 0.840 30 20 BCED CCN(CC(N)=O)C[C@@H](O)CC(C)(C)C#N 598615858 LTFLASXENDXPFE-VIFPVBQESA-N 227.308 0.094 30 20 BCED C[C@H](O)CCc1cn(CCCC#N)nn1 600968137 NOVVVIAPZVGLHR-VIFPVBQESA-N 208.265 0.895 30 20 BCED COC(=O)C(C)(C)Cc1cn(CC#N)nn1 600972985 QIFCGQIPQVGFSK-UHFFFAOYSA-N 222.248 0.543 30 20 BCED CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)C#N 601142313 XZUWHWWPQRMAAK-VXNVDRBHSA-N 211.265 0.177 30 20 BCED CCN1CCOC[C@H]1C(=O)N[C@H](C#N)C(C)C 602300478 YRDRATBDGFSOAO-MNOVXSKESA-N 239.319 0.371 30 20 BCED COc1cc(C(=O)N(C)[C@H](C)C#N)on1 602422544 LASGCPCHPGZQRT-ZCFIWIBFSA-N 209.205 0.667 30 20 BCED C[C@H]1CN(Cc2cccc(C#N)n2)C[C@@H](CO)O1 602629964 NNLRJBJHDPLZGE-GWCFXTLKSA-N 247.298 0.535 30 20 BCED COC(=O)[C@@H](C)N(C)Cc1cccc(C#N)n1 602639644 XOLJEERXEUJJMA-SECBINFHSA-N 233.271 0.947 30 20 BCED C[C@@H](CCC#N)CN[C@H](C)C(=O)NCCF 602653287 OHNYBSVDDHILEA-VHSXEESVSA-N 229.299 0.990 30 20 BCED CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)CC#N 602863047 NBIRMSGVLVZRJI-MNOVXSKESA-N 236.319 0.886 30 20 BCED CC(C)[C@H](C#N)N1CCN([C@@H](C)C(N)=O)CC1 609485105 JFHQUQNDHZUWOR-QWRGUYRKSA-N 238.335 0.026 30 20 BCED C=C[C@H](O)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 612520362 XWCILOQHYGBGLM-WOPDTQHZSA-N 238.331 0.476 30 20 BCED C=C[C@](C)(O)C(=O)N1C[C@@H](C)N(C)C[C@H]1C 613192464 XEGZHDFGQBYYRI-FOGDFJRCSA-N 226.320 0.474 30 20 BCED CCc1cc(C)nc(N2CCN(CC#N)CC2)n1 613273647 POSVWUJFUDMXHQ-UHFFFAOYSA-N 245.330 0.993 30 20 BCED C=C(C)CNC(=O)Cc1nnn(C(C)(C)C)n1 613670023 KHNMAHQOHZSTBY-UHFFFAOYSA-N 237.307 0.663 30 20 BCED Cc1cnn(CC(=O)N2CC[C@](F)(C#N)C2)c1 615588668 SOTURCOFURWHAY-NSHDSACASA-N 236.250 0.656 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H](C)[C@H](OC)C1CC1 615985218 LVTBSOXWPOZDSV-PEXQALLHSA-N 227.304 0.853 30 20 BCED C=CCN(C(=O)CC(=O)NCC)[C@@H](C)COC 617581285 OTHACACNVUSGIQ-JTQLQIEISA-N 242.319 0.562 30 20 BCED CCNC(=O)CCC(=O)N1CC(C)(C#N)C1 619544125 UEHPBMSNLZGPQA-UHFFFAOYSA-N 223.276 0.275 30 20 BCED C[C@H](C#N)C(=O)N[C@H]1CCC(=O)NC12CCC2 619820092 DLGGVWYQNKGZJX-BDAKNGLRSA-N 235.287 0.464 30 20 BCED C=C[C@H](O)C(=O)N(CCO)Cc1ccc(C)cc1 646957128 YRRYVTLYMUOBPL-ZDUSSCGKSA-N 249.310 0.863 30 20 BCED C=CCC[C@@H](O)CN1CC2CC1(C(=O)O)C2 656759649 CLWGRHBDKLAIQA-SQLBVSGCSA-N 225.288 0.863 30 20 BCED C=C[C@H](CO)N[C@@H]1CCCn2nccc21 658334606 OGBZQOGDDLPOAA-NXEZZACHSA-N 207.277 0.855 30 20 BCED C=C[C@H](CO)NC(=O)NCc1csc(C)n1 660380268 KUTJRWZKVIDJBX-MRVPVSSYSA-N 241.316 0.798 30 20 BCED C=CC[C@@H]1CCCN(C(=O)[C@@H](N)COC)C1 662636906 SRMGBBSASZJKQE-MNOVXSKESA-N 226.320 0.775 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@@H]1CCCOC1 666882894 PODHOJFXNDVYAP-GXSJLCMTSA-N 213.277 0.466 30 20 BCED O=C(Cn1cnc2ccc(F)cc2c1=O)NO 671997983 WBGCIDLOHYKUGA-UHFFFAOYSA-N 237.190 0.041 30 20 BCED C[C@@H](CN(C)C(=O)[C@H](N)CCCC#N)C(=O)O 691594367 UTHHOAAPMQZLPY-DTWKUNHWSA-N 241.291 0.187 30 20 BCED CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(=O)O 691597817 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0.648 30 20 BCED CC(C)(C#N)CC(=O)N1CC(=O)NCC1(C)C 282608313 ICVJKWZMLAJZGQ-UHFFFAOYSA-N 237.303 0.663 30 20 BCED COc1ccccc1CC(=O)NCC#CCO 282857528 HCLAMCCILZUOFL-UHFFFAOYSA-N 233.267 0.350 30 20 BCED CC(C)[C@@H](O)C(=O)N(CCC#N)CCC#N 285207821 VQTPPPHAPGQEHE-SNVBAGLBSA-N 223.276 0.659 30 20 BCED C#Cc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 289985098 ZWOMRNCAOBLRSF-ZIAGYGMSSA-N 231.295 0.859 30 20 BCED C=C[C@@H](CO)NC(=O)c1ccc(C(=O)OC)o1 290551027 JGHXNYZEFIMPKF-ZETCQYMHSA-N 239.227 0.343 30 20 BCED C=C[C@@H](CO)NC(=O)C[C@H]1CSCCS1 290671874 SOEYXWUPRLXDKL-IUCAKERBSA-N 247.385 0.888 30 20 BCED C#C[C@H](C)NC(=O)[C@H]1CCn2c(cnc2C)C1 290762520 OUOQJSAIKDYBEF-ONGXEEELSA-N 231.299 0.892 30 20 BCED C=C[C@H](CO)NC(=O)N[C@H](C)CSC 291118254 VMIRQUWESQTCMW-HTQZYQBOSA-N 218.322 0.584 30 20 BCED C=CCN(C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 291799588 KYJGTEYLGOKELI-DTWKUNHWSA-N 246.332 0.247 30 20 BCED Cc1nc(N2CCO[C@H](C#N)C2)ccc1C#N 291860542 HVZIXTFWRCJUNT-LLVKDONJSA-N 228.255 0.990 30 20 BCED CC1(C)C[C@@]1(C#N)NC(=O)c1nccnc1N 291941222 CWWYAPYFIIIWMT-NSHDSACASA-N 231.259 0.481 30 20 BCED C=CCN(CCC#N)C(=O)COCCCOC 292457271 OLLRMDPYBBBXAA-UHFFFAOYSA-N 240.303 0.968 30 20 BCED CC#CCN(C)C(=O)c1ccc(C=O)[nH]1 294542887 MFSZCVKUXCMIMH-UHFFFAOYSA-N 204.229 0.923 30 20 BCED C#CCO[C@H](C)C(=O)NC[C@@](C)(O)CSC 294988535 OKOIMXRBBRNDQN-MWLCHTKSSA-N 245.344 0.255 30 20 BCED C=CCCCS(=O)(=O)N1CC(=O)N[C@@H](C)C1 295925081 FODIASPOZKMWHL-VIFPVBQESA-N 246.332 0.103 30 20 BCED O=C1CC[C@@H](C(=O)NCC#Cc2ccccc2)N1 298213323 QIWQEIXMHKNYLV-LBPRGKRZSA-N 242.278 0.433 30 20 BCED C=C[C@H](C(=O)O)N(C)C[C@H]1CCCOC1 301011051 GENCASPFIXLZFY-NXEZZACHSA-N 213.277 0.984 30 20 BCED C=C[C@H](N[C@@H]1CCC[C@H]1OC)C(=O)OC 301048950 RBZLMXRJYMLTNE-IVZWLZJFSA-N 213.277 0.871 30 20 BCED C=C(C)CN(C)c1ccc(C(N)=O)nn1 302067119 UOOHVJZWMHIUCE-UHFFFAOYSA-N 206.249 0.588 30 20 BCED N#Cc1ccc(N(CCO)C2CCC2)nn1 302602031 YQRMJGXOGKLOFS-UHFFFAOYSA-N 218.260 0.699 30 20 BCED COc1ccc([N+](=O)[O-])cc1CN=C(N)N 303252020 AWVZJSBGXVLLQP-UHFFFAOYSA-N 224.220 0.377 30 20 BCED CC/N=C(/NCC)NCCCN(C)C 303268988 ZJLOQIPNQJRGSW-UHFFFAOYSA-N 200.330 0.513 30 20 BCED COC(=O)[C@H](C)C/N=C(\N)NC(C)C 303973465 GXVFKTHAWDOZDC-SSDOTTSWSA-N 201.270 0.108 30 20 BCED CC[C@@H](C)N(C)CC/N=C(/N)N1CCOCC1 303977067 KVFUTAVFRHPZNY-LLVKDONJSA-N 242.367 0.364 30 20 BCED COC[C@@H](O)CCNc1ncncc1C#N 304487954 PLPWIWMZIIFKHS-VIFPVBQESA-N 222.248 0.158 30 20 BCED CN(/C(N)=N/CCN1CCCCC1)C1CC1 305818089 NGYAJTOTGGMHGT-UHFFFAOYSA-N 224.352 0.881 30 20 BCED N#Cc1cncnc1N1CCC2(C1)OCCO2 306607429 ICOGQLCNSSKGAL-UHFFFAOYSA-N 232.243 0.301 30 20 BCED CC[C@@H](C)CS(=O)(=O)NCCC#N 308285780 DFGOXIKPKVQQBP-MRVPVSSYSA-N 204.295 0.866 30 20 BCED Cc1nc(C#N)cc(N2CC[C@@](C)(O)C2)n1 308381072 QLAIKAOLHATCJT-LLVKDONJSA-N 218.260 0.618 30 20 BCED CN(CC1CC(O)C1)c1cc(C#N)ncn1 309294215 KJQJSMYIGDGPIZ-UHFFFAOYSA-N 218.260 0.555 30 20 BCED C=C1CCN(C(=O)CN2CCNCC2)CC1 309304899 XFHMTNYLRACZKG-UHFFFAOYSA-N 223.320 0.070 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@H](N)CCSC 321072649 AINCBVDBLUJPNY-NXEZZACHSA-N 246.376 0.510 30 20 BCED CC1(C)C[C@@H]1/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2 328787710 JQDAFORJSBHLMG-AEJSXWLSSA-N 240.303 0.799 30 20 BCED C[C@@H]1CC[C@H](/C(O)=N/Cc2nnn(C)n2)O1 330185972 RQSWUQAOEMUBFF-RNFRBKRXSA-N 225.252 0.234 30 20 BCED C[C@@H](C#N)NC(=O)CCc1nc(N(C)C)no1 331097074 ATKHSZRISMEHTH-ZETCQYMHSA-N 237.263 0.096 30 20 BCED COC[C@@H]1NC(=O)N([C@H]2CCC[C@H]2C#N)C1=O 332390947 HXHWSYYKSPWAEK-CIUDSAMLSA-N 237.259 0.245 30 20 BCED N#CCCN(CCC#N)S(=O)(=O)CCC#N 332446857 FUERVILTEVXRFR-UHFFFAOYSA-N 240.288 0.359 30 20 BCED C[C@@H]1CN(CC2(C#N)CC2)CC[S@]1=O 334223295 ZKCGPKLRMLFAAS-YMTOWFKASA-N 212.318 0.743 30 20 BCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC(=O)N2)c1 334613112 FQCHNHQXQIDNKK-VIFPVBQESA-N 246.270 0.285 30 20 BCED C=C(C)CCN1C(=O)[C@H]2COCCN2C1=O 334974460 JTRAUOIWKAMGTK-SECBINFHSA-N 224.260 0.616 30 20 BCED C=C[C@H](C)NC(=O)N[C@H]1CCCCNC1=O 335309483 SYVXPJXFDCCCAD-IUCAKERBSA-N 225.292 0.529 30 20 BCED Cn1cc(CN2C[C@H](F)C[C@H]2CO)cc1C#N 336089707 NZENSYJTFDXBKH-PWSUYJOCSA-N 237.278 0.801 30 20 BCED C=CC(C)(C)C(=O)N1C[C@@H](CO)O[C@H](C)C1 336260323 IIPMANVASKAELU-ZJUUUORDSA-N 227.304 0.807 30 20 BCED N#CCNC(=O)CN1CCc2cccc(F)c21 336349478 XZKCJACUQRAXNC-UHFFFAOYSA-N 233.246 0.828 30 20 BCED COC(=O)[C@H](C)CC(=O)NCCCC#N 342646247 GDLGRWPDHNHXPW-MRVPVSSYSA-N 212.249 0.606 30 20 BCED CCN(CC)[C@@H](C)CNC(=O)[C@@H](C)C#N 345816992 ONZJJSQSIHQRNG-UWVGGRQHSA-N 211.309 0.993 30 20 BCED C=CCOCCCN[C@H](CO)C1CCOCC1 348046008 DAZYPOCBBOUPFI-CYBMUJFWSA-N 243.347 0.956 30 20 BCED CC#CCCN1C(=O)[C@@H]2C[C@H](F)CN2C1=O 348614717 HPJOASZWABDYSR-IUCAKERBSA-N 224.235 0.774 30 20 BCED C=C[C@@H](CO)NC(=O)Nc1ccnn1CC 350595534 FDCRPWRWCALWCT-QMMMGPOBSA-N 224.264 0.571 30 20 BCED N#Cc1cn(CCO)c2ccccc2c1=O 350678605 VWAFVQWLUFEIKJ-UHFFFAOYSA-N 214.224 0.865 30 20 BCED CC(C)(CF)NS(=O)(=O)CCCC#N 351779549 YGACDKNKOOGOQS-UHFFFAOYSA-N 222.285 0.958 30 20 BCED CC#CCCNC(=O)c1ccc2nncn2c1 354112438 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N#Cc1c[nH]nc1NC(=O)C[C@H]1CCOC1 401340743 JZNIIXUNRFNDSJ-SSDOTTSWSA-N 220.232 0.646 30 20 BCED CC[C@@H]1COCCN1c1cncc(C#N)n1 401353092 ZESNQVLRPFWVRZ-SNVBAGLBSA-N 218.260 0.963 30 20 BCED N#Cc1ccncc1N1C[C@@H](O)C[C@H](C(=O)O)C1 401888702 RCIQSJWXODZAGC-UWVGGRQHSA-N 247.254 0.225 30 20 BCED CN[C@H]1CCN(C[C@@H](O)c2cccc(C#N)c2)C1 402393330 UWJLFDNAWCYKOY-UONOGXRCSA-N 245.326 0.885 30 20 BCED N#Cc1cnc(NC[C@@H]2COCCO2)c(F)c1 413062882 CJONIPUQRPOTLN-SECBINFHSA-N 237.234 0.920 30 20 BCED C=CCCOCCNc1ccc(=O)n(C)n1 413214415 VISYGHPJOLXRMK-UHFFFAOYSA-N 223.276 0.785 30 20 BCED C[C@@H](NC(=O)NCCN)c1ccc(C#N)cc1 417110450 KPDHWIAIIRNLKN-SECBINFHSA-N 232.287 0.877 30 20 BCED C[C@H](Cn1cccn1)NC(=O)[C@H](N)CCCC#N 424137486 ASWWEPYXVSIXLW-GHMZBOCLSA-N 249.318 0.409 30 20 BCED C=CCn1cc(CNC(=O)[C@H](N)C2CCC2)nn1 424207090 IKVICGDJKFUEHS-LLVKDONJSA-N 249.318 0.208 30 20 BCED C=CCn1cc(CNC(=O)[C@@H](C)OC)nn1 424909356 SZSMMGJAALWVSH-MRVPVSSYSA-N 224.264 0.115 30 20 BCED C=C[C@@H](CO)NC(=O)Cn1cnc2ccccc21 426851419 PXJOASAMRBBDAU-JTQLQIEISA-N 245.282 0.699 30 20 BCED C=CCN(CCC#N)CC(=O)N1CCOCC1 428846431 BSRSCPXQFHNVAL-UHFFFAOYSA-N 237.303 0.247 30 20 BCED N#CCCCNC(=O)N[C@@H](CO)CC(F)F 428982173 SKIVCFRMGYHEMV-SSDOTTSWSA-N 235.234 0.605 30 20 BCED C=CCN1C(=O)C(=O)N(C[C@H](F)CC)C1=O 440575692 GOIRYHPCIVWIQM-SSDOTTSWSA-N 228.223 0.711 30 20 BCED C=CCNC(=O)[C@H](C)N1CC[C@H](CCCO)C1 452133992 TWDXWMUQORGODD-RYUDHWBXSA-N 240.347 0.772 30 20 BCED C=CCCC(=O)N[C@H]1CCCN(CCCO)C1 452377932 SOLITQBWGWWEBM-LBPRGKRZSA-N 240.347 0.916 30 20 BCED C=CCN(C)C(=O)C(=O)N1CCOC[C@@H]1CC 460038452 PYMSHJKOEHFSKG-JTQLQIEISA-N 240.303 0.268 30 20 BCED C#CCNC(=O)c1ccnc(N2CCCCC2)n1 490671726 UNQNGUJIARYSHW-UHFFFAOYSA-N 244.298 0.830 30 20 BCED C#CCN(CC)C(=O)N[C@H]1CCc2c[nH]nc2C1 490804157 UEQFFULWXXQVNH-NSHDSACASA-N 246.314 0.932 30 20 BCED C#CCNC(=O)[C@H](C)N(C)Cc1ccoc1 490840232 MZKYLKAYWDVSRK-JTQLQIEISA-N 220.272 0.849 30 20 BCED C#CCNC(=O)CCN[C@H]1CN(C2CC2)C[C@@H]1C 491229498 HOQNJEQNSACXAI-AAEUAGOBSA-N 249.358 0.198 30 20 BCED C#C[C@H](C)N(C)C(=O)[C@@H](C)CC(=O)OC 491567906 NIXLZBXNZZVKHO-IUCAKERBSA-N 211.261 0.666 30 20 BCED C#C[C@@H](C)N(C)S(=O)(=O)CCC(=O)OCC 491741630 URAWZPMPBLPNEV-SECBINFHSA-N 247.316 0.223 30 20 BCED C#C[C@H](C)N(C)S(=O)(=O)N1CC[C@H](C)C1 491769219 KAEWWIPOSFAFCA-UWVGGRQHSA-N 230.333 0.527 30 20 BCED C#CCN(C)C(=O)N[C@@H]1CCCC[C@@H]1CN 491802873 HLGNMXOZLOLCHV-GHMZBOCLSA-N 223.320 0.779 30 20 BCED C#C[C@H](CC)NC(=O)NCCc1cn[nH]c1 491815938 QXKRSUGFNRVKKA-SNVBAGLBSA-N 220.276 0.663 30 20 BCED C[C@H](C#N)CNC(=O)NCCc1cnccn1 525919935 ZPOOOGRPFQKABL-SECBINFHSA-N 233.275 0.478 30 20 BCED CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCOC1 527128451 FNIIRQQENVCLIE-JTQLQIEISA-N 237.303 0.270 30 20 BCED C[C@H](C#N)CNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 527290537 LDAFNSOYIRCSGI-BBBLOLIVSA-N 237.303 0.554 30 20 BCED CC[C@@H](C#N)NC(=O)c1noc2c1COCC2 527603361 VQLHXIOOLBJNOG-ZETCQYMHSA-N 235.243 0.779 30 20 BCED C=CCNC(=O)c1cnn(CCCOC)c1 527642207 BUSOUPHMQZUUGE-UHFFFAOYSA-N 223.276 0.835 30 20 BCED 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CC(C)(C#N)CC(=O)NCc1ccc(O)nn1 1636159444 ZDBDITSDWVDJLI-UHFFFAOYSA-N 234.259 0.738 30 20 BCED Cc1ccc(C#N)cc1C(=O)Nn1ccnn1 1637179348 UIENNJXKTPSBRH-UHFFFAOYSA-N 227.227 0.842 30 20 BCED CC(=O)N1CCC[C@@H](CCNCC#N)C1 1753537983 UZTXSYNCJGRZCB-NSHDSACASA-N 209.293 0.748 30 20 BCED C#CCCNC/C=C/CNC(=O)Cc1cnc[nH]1 1754175287 KDJKZGKFJGBAJE-SNAWJCMRSA-N 246.314 0.238 30 20 BCED C/C(=C\C(=O)N[C@H](C)CNCC#N)C1CC1 1754220849 SSRLINXRFIEEJB-TTZKWOQHSA-N 221.304 0.961 30 20 BCED C=C(Cl)CNC[C@H]1CN(C(C)=O)CCO1 1754997059 VTBGUUOOSYXBLI-JTQLQIEISA-N 232.711 0.576 30 20 BCED C[C@@H](C#N)C(=O)N(C)CCNC(=O)C1=CCCC1 1758923140 NARAKDCLDAYPGR-JTQLQIEISA-N 249.314 0.831 30 20 BCED C=C[C@@H](CCC(=O)O)NCc1cn(C)nn1 1776148773 KAGQHAVCUCGONE-QMMMGPOBSA-N 224.264 0.324 30 20 BCED C=C[C@@H](O)C(=O)N[C@H](CC(=O)O)c1ccccc1 1776149518 AOWFHVHHSIAKTB-GHMZBOCLSA-N 249.266 0.866 30 20 BCED C=CC[C@]1(C(=O)O)CCN(CC(=C)CO)C1 1776159557 IEHJCGPCSPOINP-LBPRGKRZSA-N 225.288 0.888 30 20 BCED N#CCCNC(=O)COC(=O)/C=C/c1ccco1 6012136 ZQKJPSGMIMUXPD-SNAWJCMRSA-N 248.238 0.866 30 20 BCED C=CCNC(=O)[C@H](C)N1CCC[C@H](CNC)C1 40601392 NKYNCBNACWRRLN-NWDGAFQWSA-N 239.363 0.609 30 20 BCED C=C(C)CN1C(=O)NC2(CCNCC2)C1=O 41599025 ONTRDAULJOQEGS-UHFFFAOYSA-N 223.276 0.237 30 20 BCED N#CCC(=O)N[C@H]1CCN2CCCC[C@@H]12 42323498 JAFDWYDAEMTNSJ-UWVGGRQHSA-N 207.277 0.643 30 20 BCED Cc1cc(C(=O)NC2CCN(CC#N)CC2)no1 49442221 QHVLLDSPHWOFDD-UHFFFAOYSA-N 248.286 0.701 30 20 BCED C#CCNC(=O)CN1CCC(CC)CC1 52279399 JWGZSRPVRQWHOM-UHFFFAOYSA-N 208.305 0.858 30 20 BCED N#Cc1cccnc1Nc1cnn(CCO)c1 60031540 PEAWVPYZBGJCFD-UHFFFAOYSA-N 229.243 0.886 30 20 BCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)O 61948892 XEPJVLYYCRMFIJ-UHFFFAOYSA-N 218.212 0.601 30 20 BCED CN(Cc1cccc(C#N)c1)C[C@H](O)CN 61950768 QPXAKGZXNNMEIY-GFCCVEGCSA-N 219.288 0.310 30 20 BCED C/N=C(\NCC(=O)NC)NCc1cccs1 73653995 YNTIOFKTVOGSER-UHFFFAOYSA-N 240.332 0.159 30 20 BCED CO[C@H](CNS(=O)(=O)CCCC#N)C(C)C 74972437 NSSLSBKJFOMNRT-SNVBAGLBSA-N 248.348 0.881 30 20 BCED CNC(=O)[C@H]1CCCN(c2nccnc2C#N)C1 78619680 WVLPRHLTVHOWHJ-VIFPVBQESA-N 245.286 0.311 30 20 BCED C=CCn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O 78760253 ASOVBDPKPTYREH-UHFFFAOYSA-N 238.199 0.729 30 20 BCED C[C@@H](CC#N)N(C)c1nccn2cnnc12 79455237 BCRNIXGGLLFJPM-QMMMGPOBSA-N 216.248 0.863 30 20 BCED C=CCN(CC(=O)O)S(=O)(=O)CCCC 86138139 NMAJKFSBTYJYCE-UHFFFAOYSA-N 235.305 0.689 30 20 BCED C=C[C@@H](CC(=O)NOCC(N)=O)c1ccccc1 89465400 RPGLSXOSCNTCIH-JTQLQIEISA-N 248.282 0.879 30 20 BCED C#CCNC(=O)[C@H](C)N(C)Cc1cc(C)on1 97286977 MBTHVQPZXYPHIX-JTQLQIEISA-N 235.287 0.553 30 20 BCED C#CCCCCC(=O)NCC(=O)NC1CC1 119504262 KQUSVPBYCJBFLH-UHFFFAOYSA-N 222.288 0.575 30 20 BCED C=CCNC(=O)c1cc(S(N)(=O)=O)c(C)o1 120566553 YOHBKFZVLJEPQU-UHFFFAOYSA-N 244.272 0.151 30 20 BCED C=CCNC(=O)C(=O)c1cnn(CC)c1 121857196 WURWOSZMNFRLGI-UHFFFAOYSA-N 207.233 0.388 30 20 BCED C[C@@]1(CNC(=O)CSCC#N)CCCO1 124587603 SEGFDUVBHWCUNO-JTQLQIEISA-N 228.317 0.928 30 20 BCED C=C(Cl)CNS(=O)(=O)N(CC)CC 124825885 NWTOAQUQCKYLPU-UHFFFAOYSA-N 226.729 0.915 30 20 BCED C=C[C@H](C)NC(=O)NCCC(=O)NC(C)C 128372536 SXERUKWMCYEZJE-VIFPVBQESA-N 227.308 0.775 30 20 BCED C[C@@H](NCc1ccc(C#N)o1)[C@H]1CN(C)CCO1 129102874 SKGYOXUORBLTKT-ZWNOBZJWSA-N 249.314 0.960 30 20 BCED C#CCOCCC(=O)NC[C@@H](O)C(CC)CC 157359916 SGICLIAENVGWMY-GFCCVEGCSA-N 241.331 0.940 30 20 BCED C=C(C)COCCNC[C@H](O)COCC 168694731 WZIHDFPKOTWJBN-NSHDSACASA-N 217.309 0.566 30 20 BCED C[C@@H](O)[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 169187054 NLRCZEZMRFQANE-ZJUUUORDSA-N 222.288 0.910 30 20 BCED COC(=O)NCCC(=O)OCCCC#N 172185114 LKKRMYBBTCQWJX-UHFFFAOYSA-N 214.221 0.579 30 20 BCED C#CCCCNC(=O)N1CCN(CC)CC1 173331689 CNDMIVGSNHFBPE-UHFFFAOYSA-N 223.320 0.747 30 20 BCED N#Cc1c[nH]c(C(=O)N2CCC[C@H](C(N)=O)C2)c1 177471368 DIHFECREOSATDO-VIFPVBQESA-N 246.270 0.224 30 20 BCED CC1(C)C[C@@H]1C(=O)N1CCOC[C@H]1C#N 178934909 JXOONFWEOHWZQV-RKDXNWHRSA-N 208.261 0.783 30 20 BCED CC[C@@H](O)CCNC(=O)NC[C@H](C)C#N 182835012 MTKXIHRRYVITNV-RKDXNWHRSA-N 213.281 0.606 30 20 BCED CC(=O)N(C)CC(=O)OCC1(C#N)CCC1 183918741 IAUBXIJYVHBTFL-UHFFFAOYSA-N 224.260 0.702 30 20 BCED C#CCC(C)(C)C(=O)N1CCS(=O)(=O)CC1 185573969 JYEFMEVMHQJBCU-UHFFFAOYSA-N 243.328 0.293 30 20 BCED C#C[C@@H](C)NC(=O)N1CCC[C@@H](CC(N)=O)C1 186058726 RRAHOCFFRRISOS-ZJUUUORDSA-N 237.303 0.305 30 20 BCED C[C@H]1CCN(S(=O)(=O)CCCC#N)[C@@H]1CO 190691553 PDSNNIHIUXEFHJ-VHSXEESVSA-N 246.332 0.323 30 20 BCED C#CCN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C 191067536 DFLPSXONHOYCLK-SECBINFHSA-N 224.304 0.629 30 20 BCED COCCNC(=O)[C@H](C#N)C(=O)C=C(C)C 193412530 VMLSTRYFPXSYLY-SECBINFHSA-N 224.260 0.424 30 20 BCED CCC[C@H](C#N)NC(=O)[C@@H](C)n1cncn1 226655815 ASFABAFHMMZGOX-RKDXNWHRSA-N 221.264 0.648 30 20 BCED C#C[C@H](CC)NC(=O)CCn1ccnn1 234038201 KPYGBCAZPABANL-SECBINFHSA-N 206.249 0.196 30 20 BCED C#C[C@H](CC)NC(=O)[C@H]1CCC(=O)NC1 234044660 IXJUDJZNZXDLCL-DTWKUNHWSA-N 208.261 0.041 30 20 BCED Cn1cc(CN2CCC[C@@H](C#N)C2)nn1 236104003 MONITKOKFCOHOI-VIFPVBQESA-N 205.265 0.551 30 20 BCED COC(=O)c1ccc(C=NOCC(N)=O)cc1 255554059 FKGUZJZBIDHFPM-UHFFFAOYSA-N 236.227 0.309 30 20 BCED C=CCCS(=O)(=O)N[C@H](C(=O)O)[C@@H](C)CC 261568107 FIISPGRRHHMBNH-IUCAKERBSA-N 249.332 0.981 30 20 BCED CC(C)(C)C(=O)C(=O)N1CCOC[C@H]1C#N 268119693 QQQFVBIGXXAOOI-MRVPVSSYSA-N 224.260 0.353 30 20 BCED C=CCN1CCN(CC=C)[C@H](C(=O)N(C)C)C1 268485278 MJUSOLHXFKLXPT-LBPRGKRZSA-N 237.347 0.433 30 20 BCED Cc1cc(C(=O)N2CCOC[C@H]2C#N)cc(O)n1 271944664 HJDGTQWFEOEHEZ-SNVBAGLBSA-N 247.254 0.460 30 20 BCED C#CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 274130733 IKIXFBHNXAIDOM-CQSZACIVSA-N 245.326 0.892 30 20 BCED CC#CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 278911897 QUMRRJNFWCGXSU-WDEREUQCSA-N 236.315 0.915 30 20 BCED Cn1c(N2CCO[C@H](C#N)C2)nnc1C(C)(C)C 282116521 AZTAEKDHCASQJC-SECBINFHSA-N 249.318 0.841 30 20 BCED C=CCCN(C)C(=O)C(=O)N[C@H]1CCSC1 287008462 QNZQSEGXOMVCSI-VIFPVBQESA-N 242.344 0.643 30 20 BCED C=C[C@H](CO)NC(=O)NC[C@H]1CCCO1 290746109 XPPURGDETYVVRG-RKDXNWHRSA-N 214.265 0.012 30 20 BCED C=C[C@](C)(O)CC(=O)N1CCC[C@](C)(O)C1 290949394 AZDPAWFWZQGQBG-RYUDHWBXSA-N 227.304 0.687 30 20 BCED C#CCN(C)C(=O)NCCc1cccnc1OC 291052412 IEOSKZGGEZUFRL-UHFFFAOYSA-N 247.298 0.907 30 20 BCED C#CCON1C(=O)CN([C@H](C)CC)C1=O 291179901 RTYXXCASECJCMQ-MRVPVSSYSA-N 210.233 0.614 30 20 BCED C=CCOCCn1cnc(C(=O)OC)n1 292632042 KTKDXQOKQATQGA-UHFFFAOYSA-N 211.221 0.267 30 20 BCED C#CCN(C)CCCNC(=O)[C@@H]1CCOC1 294020119 QJPVISPCUJBQHJ-LLVKDONJSA-N 224.304 0.094 30 20 BCED C=C[C@@H](CO)NC(=O)NCCC1(OC)CCC1 297366270 PEBCATJWPLCKNB-JTQLQIEISA-N 242.319 0.792 30 20 BCED CN1C[C@H](Nc2ncccc2C#N)CC1=O 299685890 SPDCHASEFLPGOF-SECBINFHSA-N 216.244 0.596 30 20 BCED CN(CCC#N)C[C@@H](O)COC[C@H]1CCCO1 302964624 WCNDKYTUTWBLKF-VXGBXAGGSA-N 242.319 0.388 30 20 BCED CNC(=O)[C@@H](C)CN(C)CCO[C@H](C)C#N 304254587 RSIJVCMEGWSIKN-VHSXEESVSA-N 227.308 0.229 30 20 BCED C=C(C)CN(CCO)CCN1CCOCC1 304729199 QPYMDZPHZDYIOD-UHFFFAOYSA-N 228.336 0.189 30 20 BCED C=CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 306291145 SFWMJODQAIGWAA-DTWKUNHWSA-N 201.291 0.291 30 20 BCED COC1(C)CN(c2cc(C#N)nc(C)n2)C1 308194572 QZHQNXGTOYFEAU-UHFFFAOYSA-N 218.260 0.882 30 20 BCED CSCCON=C1CCS(=O)(=O)C1 308304127 MOIPGFRWGBSBTH-UHFFFAOYSA-N 223.319 0.541 30 20 BCED C[C@H](C#N)C(=O)NC(C)(C)CN1CCOCC1 308704844 KMTXJWPHJTTZHL-SNVBAGLBSA-N 239.319 0.373 30 20 BCED C=CCS(=O)(=O)CCNC1CC(OCC)C1 309676838 YAUKXOBRROAYHQ-UHFFFAOYSA-N 247.360 0.744 30 20 BCED CCNC(=O)CN(C)c1ccc(C#N)c(C)n1 310323301 XVTWZIKFWXWTNK-UHFFFAOYSA-N 232.287 0.834 30 20 BCED COCCN(CC#N)C(=O)C(C)(F)F 317095054 DWROWNLHPRHYSB-UHFFFAOYSA-N 206.192 0.640 30 20 BCED O/C(=N/[C@H]1CCn2ccnc2C1)N1CCCO1 329610561 DBTHWNGISMRAMK-VIFPVBQESA-N 236.275 0.749 30 20 BCED OC1=NCCC[C@H]1/N=C(/O)Nc1cnns1 330205363 CJAQNFMJHAWXAS-RXMQYKEDSA-N 241.276 0.983 30 20 BCED C[C@@H](C(=O)NCCCCC#N)N1CCOCC1 330574892 LVXVMLLMYJRZSV-NSHDSACASA-N 239.319 0.517 30 20 BCED Cc1nccc(N/C(O)=N/CCCO)n1 330888914 UVSPXHJRGCXRQK-UHFFFAOYSA-N 210.237 0.493 30 20 BCED Cc1nc(=NC(=O)CCCC#N)n(C)[nH]1 330895484 MSEFDPAGVCTBOF-UHFFFAOYSA-N 207.237 0.178 30 20 BCED CNC(=O)[C@H]1CCCN(C(=O)CCCC#N)C1 330898469 PCHLWORWYUAOBQ-JTQLQIEISA-N 237.303 0.665 30 20 BCED C[C@@H](CCO)C/N=C(/O)NCc1nccn1C 330935235 MEYSLEDPPXTYRB-VIFPVBQESA-N 240.307 0.442 30 20 BCED Cn1cc(/C(O)=N/[C@]2(CCO)CCOC2)cn1 331341700 NXEMIXFKLAIOBN-LLVKDONJSA-N 239.275 0.266 30 20 BCED CN(CCF)S(=O)(=O)CC1(C#N)CC1 331739052 DRAFLQZVBMCGIT-UHFFFAOYSA-N 220.269 0.521 30 20 BCED COC(=O)c1ccc(C(=O)N2CC(C)(C#N)C2)[nH]1 334220021 UYESRECRJYMZCP-UHFFFAOYSA-N 247.254 0.787 30 20 BCED CC#CCNC(=O)[C@H]1CCCc2nn(C)cc21 334301519 XOOXYKIXMRRTJW-JTQLQIEISA-N 231.299 0.980 30 20 BCED C[C@@H]1CN(C)CCN1C(=O)c1ccc(C#N)[nH]1 334975998 ZXYYGWBETPUVFU-SECBINFHSA-N 232.287 0.662 30 20 BCED CCOC1CN(C(=O)c2c[nH]c(C#N)c2)C1 335672878 RJXZWVMYFKLXBF-UHFFFAOYSA-N 219.244 0.747 30 20 BCED C=C[C@H](CO)N[C@@H]1CCN2CCC[C@@H]2C1 336734857 NPQHSVVZHWVYKZ-IJLUTSLNSA-N 210.321 0.750 30 20 BCED C[C@H](O)CS(=O)(=O)c1ccc(C#N)cc1F 337649549 BZNPUBYCILYATC-ZETCQYMHSA-N 243.259 0.852 30 20 BCED Cc1c(C#N)cccc1C(=O)NC1(C(N)=O)CC1 337980841 NDXSFFJJQKULKS-UHFFFAOYSA-N 243.266 0.614 30 20 BCED Cn1cc([C@H](CO)N[C@H]2CC[C@H](C#N)C2)cn1 339086273 ZCNOUGXEWQPEGP-DLOVCJGASA-N 234.303 0.735 30 20 BCED C=CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C 342207881 UPBXNABUAVPOLY-NXEZZACHSA-N 211.309 0.954 30 20 BCED C=CCOCC(=O)Nc1nc2ccccn2n1 342656294 DSPZHOAQGDMMRL-UHFFFAOYSA-N 232.243 0.870 30 20 BCED C=CCN(CCOC)C(=O)c1cn(C)nn1 344060876 MHNJRGBOYFHDTL-UHFFFAOYSA-N 224.264 0.090 30 20 BCED C[C@H](CC#N)NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O 346364083 SFTJDIAZYPPNGP-HRDYMLBCSA-N 246.332 0.474 30 20 BCED CO[C@H](CNS(=O)(=O)[C@@H](C)C#N)C1CC1 356446150 QZEHVMCAPPHNRV-IONNQARKSA-N 232.305 0.243 30 20 BCED C=C[C@@H](CO)NC(=O)c1c[nH]c(C#N)c1 356845728 HZGDOJUOSBZYMM-QMMMGPOBSA-N 205.217 0.163 30 20 BCED N#CC1CCN(CCCN2CCOCC2)CC1 358498611 LRFIKECRSSZTOL-UHFFFAOYSA-N 237.347 0.944 30 20 BCED C[C@@H](C(=O)NCCC(N)=O)c1cccc(C#N)c1 360020209 ZXZQTRPYICEZRF-SECBINFHSA-N 245.282 0.653 30 20 BCED COC[C@](C)(C#N)NC(=O)CC[C@H](C)OC 360040239 BZNGTCAIHFKVSU-ONGXEEELSA-N 228.292 0.846 30 20 BCED CCOCCO[C@@H](C)C(=O)N1CC(C)(C#N)C1 361246748 USDAOQJZPFRVGV-JTQLQIEISA-N 240.303 0.800 30 20 BCED COC[C@](C)(C#N)NC(=O)c1ccc(OC)cn1 361960661 XAIUQIGSVQUGEA-LBPRGKRZSA-N 249.270 0.749 30 20 BCED N#Cc1cnn(C(=O)[C@@H]2CC23CCOCC3)c1N 364380196 VYUKYMWONIBCJN-VIFPVBQESA-N 246.270 0.794 30 20 BCED C=C[C@@H](C(=O)O)N1CCN(C2CCC2)CC1 378703972 HFNHFTSPTAQVHE-NSHDSACASA-N 224.304 0.796 30 20 BCED CC(C)[C@H](NCC#N)C(=O)N1CCCC1 380149824 XMYOMQBORVHRDG-JTQLQIEISA-N 209.293 0.747 30 20 BCED C[C@@H]1C[C@@H](O)CN1c1ccc(C#N)nc1 384820696 MIWQKVKLEQVXQC-LDYMZIIASA-N 203.245 0.913 30 20 BCED COC[C@H](N=c1cc[nH]c(C#N)n1)C1CC1 397272539 XSOYLFFAWOTWCX-VIFPVBQESA-N 218.260 0.607 30 20 BCED C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)n1cncn1 397671462 QJLMOIDQXQPQDR-WDEREUQCSA-N 247.302 0.991 30 20 BCED C[C@@H](NCc1nnn(C)n1)c1cccc(C#N)c1 398034441 LYTULORRDHWGML-SECBINFHSA-N 242.286 0.933 30 20 BCED N#Cc1cncc(NCCCCCO)n1 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224.260 0.309 30 20 BCED C#C[C@H](CCC)NC(=O)Cn1ccccc1=O 491618560 ALEBOIQNBPNHSB-LLVKDONJSA-N 232.283 0.766 30 20 BCED C#CCN(C)C(=O)NC[C@@H]1CC[C@H](C)O1 491619956 DZVCBWGUNANTGN-UWVGGRQHSA-N 210.277 0.829 30 20 BCED C#C[C@@H](CCC)NC(=O)[C@H]1CCCC(=O)N1 491642047 VELDMTXMEPZZPQ-VHSXEESVSA-N 222.288 0.573 30 20 BCED C#CCNC(=O)CCNCc1cnccc1C 491728072 ACJXMFAJDSLNAB-UHFFFAOYSA-N 231.299 0.619 30 20 BCED COC[C@@H](C#N)OC(=O)CCCNC(=O)OC 495297091 NJFOQRIJBANWCS-MRVPVSSYSA-N 244.247 0.204 30 20 BCED C[C@H](C#N)S(=O)(=O)N(C)CC1(O)CCC1 515499268 DOMSPOCPROOCQU-MRVPVSSYSA-N 232.305 0.075 30 20 BCED N#CCN(C(=O)c1cnn2cccnc12)C1CC1 516765855 VPHAMYKHJXYLTN-UHFFFAOYSA-N 241.254 0.857 30 20 BCED C=CCN(C)C(=O)[C@@]1(C)CCN(C(C)=O)C1 547963968 ITLTUUWMIQISLE-LBPRGKRZSA-N 224.304 0.889 30 20 BCED Cc1ncc(C(=O)NCC#CCO)c(C(C)C)n1 559250051 IWQQIUKEZLWHMS-UHFFFAOYSA-N 247.298 0.634 30 20 BCED CC[C@](C)(C#N)NC(=O)C[C@H]1CCCC(=O)N1 564144354 MUGOWELRPPUENG-BXKDBHETSA-N 237.303 0.854 30 20 BCED 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HAPJSDWYPIRDKN-QWRGUYRKSA-N 240.372 0.904 30 20 BCED C#CCN(CC#N)CCCC(=O)NCCC 491811735 MDDRGTKBWCCVRS-UHFFFAOYSA-N 221.304 0.752 30 20 BCED C#C[C@H](CC)NC(=O)C1CCN(C)CC1 491815781 LSGKDJMNJHAQCH-LLVKDONJSA-N 208.305 0.856 30 20 BCED C#C[C@@H](C)N(C)C(=O)c1ccn(CCN(C)C)n1 491819447 TYPMSAMQENPOJK-LLVKDONJSA-N 248.330 0.538 30 20 BCED C[C@@H]1OC(=O)N[C@H]1C(=O)OCCCCC#N 496002431 APDDHEIWHUADDP-JGVFFNPUSA-N 226.232 0.720 30 20 BCED C=CCN(C(=O)[C@@H]1NC(=O)O[C@@H]1C)C1CC1 496893157 MMLNIMKGSXWBLO-VXNVDRBHSA-N 224.260 0.660 30 20 BCED C=CCN(CCOC)c1cc(=O)n(C)cn1 516491577 BSZRCPCREHOFRC-UHFFFAOYSA-N 223.276 0.419 30 20 BCED C=CCOCC(=O)N(C)c1ccc(C)nn1 516875655 UVZFKYMHYGDLFG-UHFFFAOYSA-N 221.260 0.950 30 20 BCED CCn1ncc2c(=O)n(CC3(C#N)CC3)cnc21 518074296 QMUKNCQWCDTXSK-UHFFFAOYSA-N 243.270 0.917 30 20 BCED C=CC[S@@](=O)CC(=O)N(CC)CC 526842878 KTRPYELWXAPTNR-CYBMUJFWSA-N 203.307 0.790 30 20 BCED CN(CC1(O)CCC1)C(=O)c1ccc(C#N)cn1 546118086 IRMMYJFEAGDUCK-UHFFFAOYSA-N 245.282 0.940 30 20 BCED COc1cnc(C(=O)NCC2(C#N)CC2)nc1 552134305 HLRHKOYAGVCXCN-UHFFFAOYSA-N 232.243 0.519 30 20 BCED COC[C@@H](C)CS(=O)(=O)N[C@@H](C)CC#N 554891757 GYNVGDGLWKSRLE-BDAKNGLRSA-N 234.321 0.490 30 20 BCED C=CCN(CCC#N)C(=O)CNC(=O)C1CC1 561016010 IZXSOZSBLMDTJH-UHFFFAOYSA-N 235.287 0.441 30 20 BCED CCC(=O)N1CC[C@@H](N=c2cc[nH]c(C#N)n2)C1 562131809 BXCBSDQFWYJHPW-SECBINFHSA-N 245.286 0.193 30 20 BCED C[C@H]1[C@@H](C)N(c2ccnc(C#N)n2)CCN1C 566485345 GSDUGZCWMNNKEV-VHSXEESVSA-N 231.303 0.877 30 20 BCED CC[C@H](C)C(=O)N[C@](C)(C#N)CN(C)C 567324339 LKGHHLPNVBTMJA-GXSJLCMTSA-N 211.309 0.993 30 20 BCED N#CCC[C@H](C#N)CNCc1cc[nH]n1 581721167 IULYLVJOHFWKCM-SECBINFHSA-N 203.249 0.943 30 20 BCED C[C@@H]1CCN(C(=O)c2cccc(C#N)n2)[C@@H]1CO 589848750 DLLPEXWNJIYGAD-BXKDBHETSA-N 245.282 0.796 30 20 BCED Cc1[nH]nc2ncc(C(=O)N3CC(C#N)C3)cc12 590486380 BBQLHHDYTACNJR-UHFFFAOYSA-N 241.254 0.862 30 20 BCED CC(C)(CC#N)CNC[C@@H](O)Cn1cccn1 591770232 NQSSUPURYSPWCS-LLVKDONJSA-N 236.319 0.773 30 20 BCED CSC[C@H](O)CN1CC[C@@](O)(CC#N)C1 592155213 YSTBUWYSKZHRKS-ZJUUUORDSA-N 230.333 0.061 30 20 BCED CC[C@@H](C#N)C(=O)N(C)[C@@H](CO)COC(C)C 593659066 SDWVACXKYBZVAY-QWRGUYRKSA-N 242.319 0.780 30 20 BCED CCN1C[C@@H](CN=c2cc[nH]c(C#N)n2)CC1=O 594586569 VIOPDWHVSCREFY-SECBINFHSA-N 245.286 0.050 30 20 BCED CC[C@H](CC#N)N[C@H]1CCN(CC)C1=O 595530836 UUWSFHWXUWDSEA-ZJUUUORDSA-N 209.293 0.889 30 20 BCED N#CC1(NC(=O)CN2CC[C@H]3C[C@@H]3C2)CCC1 595809107 GKSBXPJHBCWHTB-WDEREUQCSA-N 233.315 0.891 30 20 BCED C[C@@H](O)[C@H]1CCCN(c2cc(C#N)cnn2)C1 596170989 ZWODWKGCAMXXHV-KOLCDFICSA-N 232.287 0.945 30 20 BCED CC[C@@](C)(C#N)NC(=O)c1cc(O)n(C)n1 597036021 FMJOXIINWCHIIJ-JTQLQIEISA-N 222.248 0.548 30 20 BCED Cn1c(C(=O)NC2(C#N)CCC2)cnc1O 601017405 FZWLPCXHFBZQKM-UHFFFAOYSA-N 220.232 0.302 30 20 BCED C[C@H](CC#N)NC(=O)C1(CN(C)C)CC1 602085444 MVMNLPTUWVGJPV-SECBINFHSA-N 209.293 0.747 30 20 BCED C[C@@H](C#N)CNC(=O)C1(CN(C)C)CC1 602095340 ATPBPHFDBHVSKQ-VIFPVBQESA-N 209.293 0.604 30 20 BCED Cc1nc[nH]c1C(=O)NC1(C#N)CCN(C)CC1 602096416 JFPFTSLZMHKMSD-UHFFFAOYSA-N 247.302 0.436 30 20 BCED N#Cc1ccc([C@H](SCCO)C(N)=O)cc1 603309511 BZPOXMXFPAJVMZ-JTQLQIEISA-N 236.296 0.810 30 20 BCED C[C@@H](CO)CNCc1cnc2c(C#N)cnn2c1 604417939 SNKAKVLQIVZGQG-SECBINFHSA-N 245.286 0.319 30 20 BCED CC(C)[C@H](C#N)NC(=O)c1c[nH]c(C(N)=O)c1 609522337 XMAIHRUPGWFOKH-VIFPVBQESA-N 234.259 0.392 30 20 BCED COC(=O)c1cc(C(=O)NC[C@@H](C)C#N)on1 611487941 OXEZORAGTJVCKE-LURJTMIESA-N 237.215 0.351 30 20 BCED C=C[C@@](C)(O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 612326121 FGGDQNYSVITAGP-BXKDBHETSA-N 235.287 0.320 30 20 BCED C[C@]1(C#N)CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 612366954 JGKIDZYWMKQZKR-ZWNOBZJWSA-N 249.314 0.807 30 20 BCED C=C[C@](C)(O)C(=O)NCCC[C@@H](C)CO 613047959 NRMRVWXYGCSADS-KOLCDFICSA-N 215.293 0.448 30 20 BCED COC(=O)C1(C(=O)N[C@@H](C#N)CC(C)C)CC1 613361329 WUXOZQFRMJRJSN-SECBINFHSA-N 238.287 0.994 30 20 BCED C=C[C@](C)(O)C(=O)N1CCC[C@H](OC)CC1 613422538 KUVZBKYNBWIWEP-JQWIXIFHSA-N 227.304 0.951 30 20 BCED N#C[C@@]1(F)CCN(C(=O)CCn2cccn2)C1 615591071 OZZSXYAOGAWDNY-NSHDSACASA-N 236.250 0.737 30 20 BCED C=C[C@H](O)C(=O)NCCC(C)(C)CO 615669633 NHTHBGQYYJWXSF-QMMMGPOBSA-N 201.266 0.058 30 20 BCED C=C[C@](C)(O)C(=O)N(C)CCN1CCCCC1 616566220 JPDFSAKCLBWLNT-ZDUSSCGKSA-N 240.347 0.868 30 20 BCED Cc1nnc(N2CC[C@@](F)(C#N)C2)nc1C 617468666 MVCDGCZXKMBPRH-SNVBAGLBSA-N 221.239 0.930 30 20 BCED N#Cc1cc(Nc2cnn(CCO)c2)ncn1 617941697 NKNHQFBYGAYDAE-UHFFFAOYSA-N 230.231 0.281 30 20 BCED Cc1cc(CNC(=O)NCC2(C#N)CC2)n[nH]1 619529406 ZCZRYZPIXLZYNK-UHFFFAOYSA-N 233.275 0.821 30 20 BCED CC(C)C[C@@H](C#N)NC(=O)c1cnnn1C 619598476 BDQUNRLEUUUGTC-QMMMGPOBSA-N 221.264 0.483 30 20 BCED C=C[C@H](C)NC(=O)[C@H](C)[C@H]1CCC(=O)N1 626066583 LPRQYJHSYXMYJB-DJLDLDEBSA-N 210.277 0.592 30 20 BCED C=CCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 628058203 CBTPFNGVLGSDBT-DTWKUNHWSA-N 210.277 0.593 30 20 BCED CC#CCNCc1cn(CCN2CCCC2)nn1 630618234 RVCYRWDUBPSQTC-UHFFFAOYSA-N 247.346 0.487 30 20 BCED C=C(C)COCCNC(=O)CCc1cnn[nH]1 631820562 WERRSDRPAPNDGD-UHFFFAOYSA-N 238.291 0.446 30 20 BCED C=C[C@@H](C)NS(=O)(=O)CC1(N(C)C)CC1 632093713 XQAAKUVCUBILSS-SECBINFHSA-N 232.349 0.575 30 20 BCED CC#CCNC(=O)C(C)(C)CN1CCOCC1 635747384 QNHWNVFWMPKNTK-UHFFFAOYSA-N 238.331 0.484 30 20 BCED C[C@H](C#N)N(C)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 637792235 QMCIMHOOKGRTPD-RGOKHQFPSA-N 220.272 0.972 30 20 BCED C=CCCCS(=O)(=O)N[C@H](CO)CCF 651893935 LPZKABZFQQFYLV-VIFPVBQESA-N 239.312 0.593 30 20 BCED C=CCCNS(=O)(=O)c1ccc(OC)nc1 657077254 NATCKZFWVMTBDM-UHFFFAOYSA-N 242.300 0.945 30 20 BCED C=CCCn1cc(CNC[C@H]2CCOC2)nn1 657309463 NVKZAZWEEMXZHZ-LLVKDONJSA-N 236.319 0.980 30 20 BCED C=CCCNC(=O)NCc1nnc2n1CCCC2 660571727 PWBULNSLSLUVTD-UHFFFAOYSA-N 249.318 0.990 30 20 BCED C=CCC1(NC(=O)CNC(=O)CN)CCCC1 662889115 SHLGZBALYHMGFK-UHFFFAOYSA-N 239.319 0.066 30 20 BCED C=C[C@H](O)C(=O)NCc1csc(C)n1 666715632 GPAIXUHSRKJPOU-QMMMGPOBSA-N 212.274 0.615 30 20 BCED C=CCCO[C@H](C)C(=O)NCCn1ccnn1 679857223 OCVRNNRMESBCMU-SNVBAGLBSA-N 238.291 0.376 30 20 BCED CN(C)C(=O)OCCN=c1cc[nH]cc1C#N 689073870 PHEXNWZKHKZFMO-UHFFFAOYSA-N 234.259 0.485 30 20 BCED N#CCCC[C@@H](N)C(=O)NCc1ccno1 691526324 NLJSUGFVTUQSLS-SECBINFHSA-N 222.248 0.312 30 20 BCED C#CC(=O)N1CCN(Cc2csc(C)n2)CC1 692867946 TYAZXPWCDANABW-UHFFFAOYSA-N 249.339 0.729 30 20 BCED N#C[C@H]1CCCN(C[C@H]2COCCO2)C1 694050247 CPSLEWFHPVYVAB-MNOVXSKESA-N 210.277 0.637 30 20 BCED CC#CCCNC(=O)/C=C\c1cnn(C)c1 700602807 OKHOGSYVFKEKJO-SREVYHEPSA-N 217.272 0.963 30 20 BCED Cc1cc(=O)c(C(=O)N2CCOC[C@H]2C#N)c[nH]1 703944728 LROKQWJDKVJWIA-SECBINFHSA-N 247.254 0.048 30 20 BCED Cc1nc(C#N)cc(NCC#CCN(C)C)n1 717595351 OSIGDYBIBPEJIR-UHFFFAOYSA-N 229.287 0.634 30 20 BCED C#CC[C@H](CO)NC[C@@H](O)c1ccccc1 717734475 ZBTXUERSBWKQQE-CHWSQXEVSA-N 219.284 0.694 30 20 BCED CC#CC[C@H](CO)NC(=O)c1cccnc1F 717760344 INANOEKFXDJWNP-SECBINFHSA-N 236.246 0.725 30 20 BCED C#CC[C@H](CO)Nc1nnc(CC)c(CC)n1 717822995 OCFBRTAPQVCAGJ-SECBINFHSA-N 234.303 0.793 30 20 BCED N#CCSCC(=O)OC[C@H]1CCCO1 728762766 BCAPRKVJEWPUAD-MRVPVSSYSA-N 215.274 0.965 30 20 BCED C=C(C)CNC(=S)N[C@H]1CCN(C)C1=O 737461253 LFRRGVWXLSVDLK-QMMMGPOBSA-N 227.333 0.257 30 20 BCED N#Cc1cnc(NC2CCN(C(=O)O)CC2)cn1 739142304 KAZLWFOTKQZADA-UHFFFAOYSA-N 247.258 0.903 30 20 BCED O=C(O)CCCCCN=C1NCCCN1 739668272 KJBBIACZJCDAOI-UHFFFAOYSA-N 213.281 0.570 30 20 BCED C#CCSCCNC(=O)/C=C\c1cnn(C)c1 739826540 XRMXPYOESXQOOG-PLNGDYQASA-N 249.339 0.916 30 20 BCED CC#CCOC(=O)[C@@H](CC)N1CCCC1=O 745696658 IIKROMPYYKVOGD-SNVBAGLBSA-N 223.272 0.954 30 20 BCED COC(=O)c1ccc(C=NN[C@@H](C)CO)cc1 749822613 WPLGJMNDIIWBBT-VIFPVBQESA-N 236.271 0.778 30 20 BCED COC(=O)c1cc(C=NNCC(F)F)c[nH]1 753166774 NOXYBUFLUFAASL-UHFFFAOYSA-N 231.202 0.990 30 20 BCED C#CCOCCNC(=O)NC[C@@H](C)C[C@@H](C)O 753383370 NUZKURATLXJDLJ-WDEREUQCSA-N 242.319 0.342 30 20 BCED C=CCNC(=O)COC(=O)c1ccnnc1C 753524397 GWGQCPNTKAYIEP-UHFFFAOYSA-N 235.243 0.244 30 20 BCED CCC(=NNC(=S)NC)c1nccn1C 755472165 PIRSBCSMVQXSKS-UHFFFAOYSA-N 225.321 0.628 30 20 BCED C#CCNC(=S)NC[C@]1(C)CCOC1 758231978 WOPSIQKFEAWYMY-JTQLQIEISA-N 212.318 0.510 30 20 BCED CCC(=CC(=O)OCC(=O)NCC#N)CC 759464917 GYFLNNZXKUGANI-UHFFFAOYSA-N 224.260 0.916 30 20 BCED C#Cc1ccc(C(=O)N2CCC[C@@H]2CO)cn1 759687071 PTTRREGAXSEPON-GFCCVEGCSA-N 230.267 0.660 30 20 BCED CC#CCCOC(=O)c1ccc(=O)n(C)n1 760282810 DXKHUDXEATXURL-UHFFFAOYSA-N 220.228 0.351 30 20 BCED C=C(C)COC(=O)CNS(=O)(=O)CCCC 760690279 JBDAZAHTRFUEJE-UHFFFAOYSA-N 249.332 0.825 30 20 BCED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](CC)C2)cn1 760966016 ALFTZJOEYADBGK-MFKMUULPSA-N 244.294 0.906 30 20 BCED Cn1cc(NN=Cc2cncn2C)cn1 761868038 UVQSLMVMYXXKSX-UHFFFAOYSA-N 204.237 0.600 30 20 BCED CC(=NNC(=N)N)c1ccc(C#N)s1 762445950 BVJIKJRZRTVINW-UHFFFAOYSA-N 207.262 0.827 30 20 BCED C=C(CN(C)C)C(=O)NCc1cccnc1 763899914 VFGDHBQVPRGIQK-UHFFFAOYSA-N 219.288 0.816 30 20 BCED CC#CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 764121015 OATWMIXXALHIIC-VIFPVBQESA-N 229.301 0.045 30 20 BCED CC#CCCCC(=O)O[C@@H]1CCN(C)C1=O 767673679 BNMSYNKLOODRTC-SNVBAGLBSA-N 223.272 0.954 30 20 BCED C#CCNC(=O)COC(=O)c1cc(C)c(C)o1 768134377 WYDNAUJMQRTHIH-UHFFFAOYSA-N 235.239 0.803 30 20 BCED C#C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCCO1 772885766 ZADYTNPVURIMKB-ZYHUDNBSSA-N 243.266 0.797 30 20 BCED CC(=NOCC(N)=O)c1ccc(Cl)cn1 774398018 CSIGKSSOFBZGGT-UHFFFAOYSA-N 227.651 0.961 30 20 BCED C#CCOCCNC(=O)NCc1ccncc1C 777633568 ZTNQRIFWVPLZKF-UHFFFAOYSA-N 247.298 0.839 30 20 BCED C=CCS(=O)(=O)CC(=O)NCC(F)(F)F 779367879 ZVMHBEKTDJIWDZ-UHFFFAOYSA-N 245.222 0.266 30 20 BCED Cc1nn(CC(F)F)c(C)c1C(=O)NO 782171574 JRTDQLCPBGNBOZ-UHFFFAOYSA-N 219.191 0.884 30 20 BCED N#CCNC(=O)COC(=O)[C@H]1CCCCS1 783228000 WBYMMFPWPJHWGS-MRVPVSSYSA-N 242.300 0.455 30 20 BCED COCC#CCN1CC[C@@H](C(=O)OC)[C@@H]1C 787324288 IHFMXWQVYLUYGU-WDEREUQCSA-N 225.288 0.520 30 20 BCED N#CCCNC(=O)NCCOC[C@@H]1CCOC1 787352992 YOLOVTDNCCHPGK-SNVBAGLBSA-N 241.291 0.252 30 20 BCED Fc1ccc(C=NN[C@H]2CCOC2)cn1 788445474 GWBKCNASXPIGLX-VIFPVBQESA-N 209.224 0.933 30 20 BCED COC(=O)c1cc(C=NNC2CC2)cn1C 790175151 DJCYPUTURIOSHS-UHFFFAOYSA-N 221.260 0.898 30 20 BCED COc1coc(C(=O)O[C@H](C)C#N)cc1=O 798672680 XDJZCSNVABXHKU-ZCFIWIBFSA-N 223.184 0.717 30 20 BCED CC#CC(=O)NCC1CCN(CC#N)CC1 801160745 OKGAYJWJCCDUDI-UHFFFAOYSA-N 219.288 0.361 30 20 BCED C#C[C@H](NC(=O)[C@H](O)C(C)C)[C@@H]1CCCO1 803119431 AWFYUDAMFLTWIV-GARJFASQSA-N 225.288 0.300 30 20 BCED C#CCOCCNC(=O)Cc1ccc(F)cn1 807241920 MTBOZIFQQJIIHQ-UHFFFAOYSA-N 236.246 0.529 30 20 BCED CCCCCN(CCO)C[C@H](O)CC#N 809575349 ZMKVCOZTWOMNET-LLVKDONJSA-N 214.309 0.745 30 20 BCED C#CCONC(=O)c1ccnc(-n2ccnc2)c1 812784814 JREUJDNTBPMRMP-UHFFFAOYSA-N 242.238 0.562 30 20 BCED Oc1nnc(O)n1N=Cc1c(F)cccc1F 814233998 OBSIEYMXVBYFQI-UHFFFAOYSA-N 240.169 0.850 30 20 BCED CCc1ccc2c(c1)C(=NNCCO)C(=O)N2 814943766 UBOMBPKRBOVXJZ-UHFFFAOYSA-N 233.271 0.487 30 20 BCED C[C@@H](O)CNN=C1COCc2ccccc21 814961816 SSHKQGWIGGUIAF-SECBINFHSA-N 220.272 0.891 30 20 BCED Cc1ocnc1C(=O)N[C@H]1CCCN(O)C1=O 816754961 PYSHMESDZLYDEM-ZETCQYMHSA-N 239.231 0.093 30 20 BCED CN(CCC(=O)O)C(=O)NCCCCC#N 818432386 ZPDCYVXVBZVDQZ-UHFFFAOYSA-N 227.264 0.796 30 20 BCED C#CCNC(=S)NCc1cccc(C(=O)O)c1 819706071 LZSZAUCDTUFRHB-UHFFFAOYSA-N 248.307 0.982 30 20 BCED C[C@@](C#N)(CC(=O)O)C(=O)OCc1ccon1 819874852 RPBUFQBZJOMHRJ-JTQLQIEISA-N 238.199 0.722 30 20 BCED C#C[C@H](C)NC(=O)N1CC[C@H]([C@@H](C)O)C1 820416427 FSJPTHGCPIQXMP-AEJSXWLSSA-N 210.277 0.420 30 20 BCED C#C[C@H](C)NC(=O)N1CCC(CCO)CC1 820435797 OBYIRUFXQZAXPH-JTQLQIEISA-N 224.304 0.812 30 20 BCED CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](O)C1 820792370 VROJDEAYKWVELS-VIFPVBQESA-N 246.332 0.323 30 20 BCED N#CCNC(=O)c1ccc(C(=O)O)cc1 821324819 RGEFNCUJFPGXRH-UHFFFAOYSA-N 204.185 0.638 30 20 BCED C#CCNC(=O)COC(=O)C(C)(C)C(=C)C 821439604 KJZWARCGYIQRAH-UHFFFAOYSA-N 223.272 0.881 30 20 BCED C#CC[C@H](OC(=O)[C@H](C)NC(=O)O)C1CC1 823440833 JWDIPWRAGZJOCQ-CBAPKCEASA-N 225.244 0.988 30 20 BCED CC(C)C#CC(=O)NCCCC(=O)N(C)C 823492373 VAPAMNPBVGVUSF-UHFFFAOYSA-N 224.304 0.630 30 20 BCED CCc1nocc1C(=O)NCC#CCN(C)C 823570581 SAGOHFQBYWHBJK-UHFFFAOYSA-N 235.287 0.532 30 20 BCED C=C[C@@](C)(O)C(=O)NC[C@H]1COC(C)(C)O1 830116148 WBZRTRNATUDVOX-GZMMTYOYSA-N 229.276 0.191 30 20 BCED C#CC1CCN(CCC(=O)N(C)OC)CC1 830345523 HAWRXJWZPPQXHK-UHFFFAOYSA-N 224.304 0.742 30 20 BCED C=C[C@](C)(O)C(=O)N1CCOC[C@H](C)C1 831142792 SZVLTXWEBRELEP-KOLCDFICSA-N 213.277 0.418 30 20 BCED CC#CCCNC(=O)[C@H]1CCCN1C=O 831823868 KVDJGFGZXSAAPA-SNVBAGLBSA-N 208.261 0.137 30 20 BCED N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(N)c1 834485131 SAFXOJOHLFKRFV-ONGXEEELSA-N 230.271 0.110 30 20 BCED CC[C@@H](O)CNN=C1CCN(OC)CC1 834978911 DFVNAOJZMUTDSE-SNVBAGLBSA-N 215.297 0.360 30 20 BCED CC[C@@H](O)CNN=C1C[C@H](C)n2ccnc21 834980702 SUAGLNSBARUYTR-DTWKUNHWSA-N 222.292 0.912 30 20 BCED C=C(CC)CNC(=O)NOCCOC 836432897 GIVYATMBOYXVNX-UHFFFAOYSA-N 202.254 0.830 30 20 BCED CON=CC(=O)N1CCC[C@@H]2COC[C@@H]21 838231847 BIGSQOOIQQTXHM-BDAKNGLRSA-N 212.249 0.256 30 20 BCED C[C@@H]1CN(CCOC(=O)C#CC2CC2)CCO1 838366051 GUPFLSRNEHXZQU-LLVKDONJSA-N 237.299 0.664 30 20 BCED CC(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840333950 XTZGJTNMQYXCJP-GJMOJQLCSA-N 211.221 0.316 30 20 BCED C#CCSCCNC(=O)N(C)[C@H](C)CN 841833045 YJVWTCUFBKDVCQ-SECBINFHSA-N 229.349 0.341 30 20 BCED C[C@@H](CO)N(C)N=Cc1ccc(O)c(O)c1 842544539 IWVCMAAZHSEEBF-QMMMGPOBSA-N 224.260 0.744 30 20 BCED C#CCNC(=O)[C@H](C)N1CCCC(F)(F)C1 844375275 OFMJGRZKBYYPGF-VIFPVBQESA-N 230.258 0.855 30 20 BCED C#CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 846762654 ITWRHURGQXZULF-RYUDHWBXSA-N 235.331 0.936 30 20 BCED C[C@@H](Cc1cnc[nH]1)C(=O)N=C1C[C@@H](C)ON1 847624481 RKQWFQQSABCJJX-JGVFFNPUSA-N 236.275 0.827 30 20 BCED CC#CCOC(=O)c1cnc(N(C)C)cn1 847673133 AAKHDJOWCQGQPE-UHFFFAOYSA-N 219.244 0.723 30 20 BCED CCCn1nccc1C=NN(C)C[C@H](C)O 853356209 BSFANZQIUSEMSH-JTQLQIEISA-N 224.308 0.940 30 20 BCED C#CCOCCOC(=O)c1ccc(C=O)n1C 853921735 FFCXNPNFFTWMQW-UHFFFAOYSA-N 235.239 0.644 30 20 BCED C#Cc1cnc(N2C[C@@H](C)[C@](C)(CO)C2)nc1 853963759 GKLZOHIPMUHBOO-MFKMUULPSA-N 231.299 0.913 30 20 BCED C#CC[C@@H](CO)NC(=O)c1ccnn1CC 854541539 HGYDXHRHITZMRC-VIFPVBQESA-N 221.260 0.017 30 20 BCED C#CC[C@H](CO)NC(=O)[C@H](C)OCC(C)C 854546735 LHSPHCIEHPNUBI-WDEREUQCSA-N 227.304 0.548 30 20 BCED C=C[C@](C)(O)C(=O)NCC1SCCS1 856160423 QSYCOYQOVHYCOE-VIFPVBQESA-N 233.358 0.846 30 20 BCED C[C@@H]1C(=O)N(N=C[C@@H]2CCCOC2)C(=O)N1C 857216672 ZSYJFBGPDZFRRZ-BDAKNGLRSA-N 239.275 0.681 30 20 BCED C#CCN(CC)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 858747454 GLQGSSDKPGFOHR-UWVGGRQHSA-N 222.288 0.383 30 20 BCED C[C@H](CC#N)N(C)C(=O)[C@@H]1CCOC(=O)N1 859195047 WSPJGHRJEYKQRY-SFYZADRCSA-N 225.248 0.245 30 20 BCED C#CC[C@@H](CCOC)NC(=O)Cc1cnn(C)c1 863787915 ILPIBEPRZXVQAN-LBPRGKRZSA-N 249.314 0.507 30 20 BCED C#Cc1ccc(C(=O)NCC2(NC)CCC2)cn1 863923366 PTXCDAINSVQLFO-UHFFFAOYSA-N 243.310 0.935 30 20 BCED C=C[C@@](C)(O)c1cn(CC(C)(C)[N+](=O)[O-])nn1 864642805 WGVQXCKOBSBKOU-SNVBAGLBSA-N 240.263 0.727 30 20 BCED C#CCCN(CCOC)C[C@@]1(OC)CCOC1 877640899 HQNZHNSCVBQZLM-ZDUSSCGKSA-N 241.331 0.764 30 20 BCED CC(C)(C)C#CC(=O)NCCO[C@H]1CCOC1 885717882 RKHZVPSCUINTAT-NSHDSACASA-N 239.315 0.958 30 20 BCED C=C1CCC(C(=O)N=c2nc[nH]n2C)CC1 889523542 KHCWJNQRCPAFJS-UHFFFAOYSA-N 220.276 0.922 30 20 BCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCF 892862883 GGURUQVYVPUWBV-ZETCQYMHSA-N 223.207 0.671 30 20 BCED CC#CCNC(=O)N[C@H]1C[C@H](C)OC1=O 895680747 HEAZFQDTDRBLDU-YUMQZZPRSA-N 210.233 0.013 30 20 BCED C#CCSCC(=O)N[C@@H]1CCN(C2CC2)C1 895874008 DIVJEQUOJNJWGO-SNVBAGLBSA-N 238.356 0.706 30 20 BCED CC/N=C(/NCC)NCCO[C@H]1CCOC1 899261929 CPZWLOPETYZZHT-JTQLQIEISA-N 229.324 0.367 30 20 BCED CN(CC#N)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 900452016 KMQZAUGLLYARBZ-LLVKDONJSA-N 247.302 0.772 30 20 BCED C=C(C)C[C@H](NC(=O)c1ccc(C)nn1)C(=O)O 910292940 TZEICUXDZDZAHI-JTQLQIEISA-N 249.270 0.934 30 20 BCED C=CCCC[C@@H](N)C(=O)N[C@@](C)(CN)C1CC1 911802355 JECCBAGPXGJFPX-YPMHNXCESA-N 239.363 0.914 30 20 BCED C#CCNCC(=O)N(C)CC[C@H](N)C(C)C 911871074 RDOFDYMSYSTRQT-NSHDSACASA-N 225.336 0.041 30 20 BCED C=C[C@@](C)(CCOC)C(=O)NCCN(C)OC 912161937 GDBXDMRFIDBQIX-LBPRGKRZSA-N 244.335 0.825 30 20 BCED CN1C[C@H](C(=O)OCCCCC#N)CC1=O 914922623 WZGQFXHZSNCOGP-SECBINFHSA-N 224.260 0.702 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)[C@H](C)OCC 915501237 KUNRKXMGRJSMCE-IUCAKERBSA-N 227.260 0.093 30 20 BCED C#CC[C@@H](CO)NC(=O)N[C@@H](COC)C1CC1 921589296 KSKOIVCMRYMFIE-QWRGUYRKSA-N 240.303 0.095 30 20 BCED C[C@@H](C#N)CNC(=O)NC[C@@H]1CCN1C 921881720 UTIUHDGLSZDQJY-IUCAKERBSA-N 210.281 0.149 30 20 BCED C#CCN1CCC[C@@H](NC(=O)[C@@](C)(O)C=C)C1 923556754 IFIYXSXWRDQWEB-YPMHNXCESA-N 236.315 0.137 30 20 BCED C[C@@H](Cc1ccccn1)NC(=O)NCC#CCO 923765190 VGCCKCPPYKEKPZ-NSHDSACASA-N 247.298 0.308 30 20 BCED COCCCCCNC(=O)NCC#CCO 923782328 OWUAPRLBRBYRKF-UHFFFAOYSA-N 228.292 0.098 30 20 BCED C#C[C@H](NC(=O)NC[C@@H]1COCO1)C(C)(C)C 923843953 LZQWTDHRHCUMOM-ZJUUUORDSA-N 240.303 0.706 30 20 BCED C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](C#N)C1 928216032 AQCYFZIWIYSMGB-IUCAKERBSA-N 223.276 0.260 30 20 BCED COc1ccc(C(=O)N2CCC[C@H](C#N)C2)nn1 928221549 OMLYSQBQARRCOU-SECBINFHSA-N 246.270 0.861 30 20 BCED N#CC[C@@H](O)CN1CC[C@H](O)C12CCCC2 930571057 JVBAKJFAKORYHW-MNOVXSKESA-N 224.304 0.640 30 20 BCED C=C[C@@H](CC)CC(=O)N1CCO[C@H](C(N)=O)C1 931218977 FQQASSHEXAMIOY-UWVGGRQHSA-N 240.303 0.301 30 20 BCED N#CCNC(=O)CN1CCC(c2ncco2)CC1 931448402 CRCLRPQDJFNINT-UHFFFAOYSA-N 248.286 0.494 30 20 BCED C=CCN1CCN(C(=O)Cc2cnc[nH]2)CC1 950787493 PYFTWJDURBEJTR-UHFFFAOYSA-N 234.303 0.282 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2ccncc2)C1 966187633 ZGSIWPLCGCZOBR-GFCCVEGCSA-N 229.283 0.519 30 20 BCED N#CCN[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 969041390 LFLXLFGMCBLEDX-RKDXNWHRSA-N 243.257 0.746 30 20 BCED C#CCN[C@@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C 986027786 XXWNYZOTTXCSKR-VHSXEESVSA-N 232.287 0.236 30 20 BCED Cc1c[nH]nc1C(=O)N1CC[C@@H](NCC#N)[C@H]1C 986278022 KEFLWDWNJSOVQZ-NXEZZACHSA-N 247.302 0.434 30 20 BCED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2)C1 987987914 XIIYKWLDDUVQFZ-PWSUYJOCSA-N 246.314 0.246 30 20 BCED C[C@@H]1C[C@@H](NCC#N)CN1C(=O)Cc1ccco1 989581352 BDBGTBFQORVCOK-GHMZBOCLSA-N 247.298 0.925 30 20 BCED Cn1nccc1C(=O)N1CCC[C@H](NCC#N)C1 998720797 GRHJEVTXDNJICY-JTQLQIEISA-N 247.302 0.138 30 20 BCED C=CCN1CC[C@@H](NC(=O)c2nccc(C)n2)C1 1010787699 XNMCCSDBWXTAPE-LLVKDONJSA-N 246.314 0.775 30 20 BCED C#CCN1CC[C@@H](NC(=O)c2nn(C)cc2C)C1 1014394505 NHXPCNJZZZZPCK-LLVKDONJSA-N 246.314 0.166 30 20 BCED N#CCN1CC[C@H](NC(=O)CC2=CCOCC2)C1 1015660535 CJZIIBIAVMNSKL-LBPRGKRZSA-N 249.314 0.437 30 20 BCED C=CCN[C@H]1CCN(C(=O)Cn2nccc2C)C1 1019448706 KWXCROFSBOBPKA-LBPRGKRZSA-N 248.330 0.568 30 20 BCED C#CCN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCO1)C2 1029203354 OGEQICKYHMLDMO-AVGNSLFASA-N 248.326 0.474 30 20 BCED C#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)C1CC=CC1 1037335416 MIJBCOPXGGSASX-FRRDWIJNSA-N 230.311 0.775 30 20 BCED N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)C1=CCOCC1 1037381182 NGPAUMAOFCNBNN-WOPDTQHZSA-N 247.298 0.046 30 20 BCED C[C@]1(NC(=O)c2ncc[nH]2)CCN(CC#N)C1 1046300129 CYXLXRACWITVPR-NSHDSACASA-N 233.275 0.127 30 20 BCED C#CCN1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 1052801094 RFUBWYIAPOMOET-SNVBAGLBSA-N 247.302 0.022 30 20 BCED C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 1084236854 RXRATWIJZWOPAH-JHJVBQTASA-N 245.326 0.702 30 20 BCED CN(C[C@H]1CCN1CC#N)C(=O)c1ccncc1 1085455467 LGALIHHGAFXAPD-GFCCVEGCSA-N 244.298 0.751 30 20 BCED C#CCN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 1086295671 XRVNOCXSTCWTSJ-DDHJBXDOSA-N 220.316 0.760 30 20 BCED C#CCN[C@H]1CCCCCN(C(=O)COC)C1 1088244622 ZRYYNOLHORXDCX-LBPRGKRZSA-N 238.331 0.627 30 20 BCED C[C@@H]1C[C@@H]1C(=O)NCCNc1cnc(C#N)cn1 1093464488 CKEVFPWQGLBSDV-SCZZXKLOSA-N 245.286 0.532 30 20 BCED CC[C@H](C)C(=O)NCCN=c1cc[nH]c(C#N)n1 1093482840 RNSSYMGIIFGIFG-VIFPVBQESA-N 247.302 0.344 30 20 BCED C[C@H](C#N)C(=O)NCCNc1cncc(C#N)n1 1093528397 CRDNNYRVPGBXTO-MRVPVSSYSA-N 244.258 0.036 30 20 BCED CCC(=O)NCCCN(C)c1cnc(C#N)cn1 1095456723 RWMQXLMXJGHARZ-UHFFFAOYSA-N 247.302 0.701 30 20 BCED C#CCN1CC[C@@H](NC(=O)C=C(C)C)[C@H](O)C1 1099656908 LYIMJXZIVLZQPM-VXGBXAGGSA-N 236.315 0.137 30 20 BCED C[C@H](CNc1nccnc1C#N)NC(=O)C1CC1 1107604810 JGRKADPFKAXIAA-MRVPVSSYSA-N 245.286 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30 20 BCED C=CCOCC(=O)N1CCNCC1(C)C 381508400 MQWFNLACCSHHLX-UHFFFAOYSA-N 212.293 0.399 30 20 BCED Cc1nc(CN=c2nc[nH]cc2C#N)oc1C 383869878 POUISQRGQAHFLA-UHFFFAOYSA-N 229.243 0.987 30 20 BCED C#CCNS(=O)(=O)C[C@H](C)CCC 388783939 KFHRIJSXZYBKRN-SECBINFHSA-N 203.307 0.975 30 20 BCED CC[C@@H](CC#N)N[C@H]1CCNC(=O)CC1 396710797 ZSTOISYLACHFPH-VHSXEESVSA-N 209.293 0.937 30 20 BCED C=CCC[C@H](CO)NC(=O)[C@H]1CC[C@H]1C(=O)O 397064303 SJKSLAOZDBVJEF-KXUCPTDWSA-N 241.287 0.541 30 20 BCED CN(CCC#N)C(=O)[C@H]1CC[C@H]1C(=O)O 397146469 KGBLRBSRBPULFP-JGVFFNPUSA-N 210.233 0.469 30 20 BCED C=C[C@@H](SCCC(N)=O)C(=O)OC 399311495 RFSNKFWPLQCTQI-ZCFIWIBFSA-N 203.263 0.323 30 20 BCED N#CCC1(CNC(=O)c2cnccn2)CC1 404159582 YCQHHKPFTTUUIV-UHFFFAOYSA-N 216.244 0.900 30 20 BCED N#CCN1CCC(N2CCCNC2=O)CC1 407948044 GESMTAKPTVIAGU-UHFFFAOYSA-N 222.292 0.390 30 20 BCED CC1(O)CN(S(=O)(=O)CC2(CC#N)CC2)C1 408462236 YJZVEILRSYATOR-UHFFFAOYSA-N 244.316 0.077 30 20 BCED N#CCn1c(-c2cccnc2)cc(O)nc1=O 409438830 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221.304 0.966 30 20 BCED C#CCNC(=O)CCN[C@@H](C)C1=CCN(C)CC1 491419418 URIVREIWSDGSHN-LBPRGKRZSA-N 249.358 0.366 30 20 BCED C#CCN(CC#N)C(=O)C[C@@H](C)n1ccnc1 491757338 DCUYXQSRTVJMDZ-LLVKDONJSA-N 230.271 0.820 30 20 BCED C#CC[C@@H](NC(=O)/C=C\OCC)C(=O)OC 493220880 IDJBTFYNWVDXFE-UFGYOYAJSA-N 225.244 0.218 30 20 BCED COCCCNC(=O)NCC1(C#N)CC1 521239953 LCAKYSQUGWKANH-UHFFFAOYSA-N 211.265 0.626 30 20 BCED C[C@@]1(CO)CCCN1S(=O)(=O)CCCC#N 527136359 CHBDOMCVFQPKKB-JTQLQIEISA-N 246.332 0.467 30 20 BCED CCC[C@H](C#N)NC(=O)[C@H]1CCN(C(C)=O)C1 531392653 PIADVANSHRLTFF-WDEREUQCSA-N 237.303 0.663 30 20 BCED C[C@H](C#N)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 541017260 DCZXAXMQQNOTME-MXWKQRLJSA-N 238.335 0.928 30 20 BCED CC[C@H](CC#N)NC(=O)C1(C(N)=O)CCC1 545879458 DYBJLXDMARZVME-MRVPVSSYSA-N 223.276 0.450 30 20 BCED CC[C@H](C#N)NC(=O)c1cccc(C(N)=O)n1 546657983 WPHXQTQJAFOMCN-SSDOTTSWSA-N 232.243 0.212 30 20 BCED C[C@H](C#N)CNC(=O)c1cc([N+](=O)[O-])nn1C 547842887 OIGGPMFULMXZPJ-ZCFIWIBFSA-N 237.219 0.218 30 20 BCED CCN(CCO)Cc1ccc(C#N)cn1 550711538 YQKFTJQYPLJVJG-UHFFFAOYSA-N 205.261 0.767 30 20 BCED Cc1ccc(C#N)c(Nc2ccn(CCO)n2)n1 553074605 QLRLKFITPIVACA-UHFFFAOYSA-N 243.270 1.194 30 20 BCED CCO[C@@H]1C[C@@H]1NC(=O)c1ccc(C#N)n1C 560260066 KEECHNDBJVXBJZ-GXSJLCMTSA-N 233.271 0.804 30 20 BCED C=C(C)CS(=O)(=O)NCC[C@@H](CC)C(=O)O 566312262 QBDQIKDTGGLMGQ-SECBINFHSA-N 249.332 0.983 30 20 BCED C[C@@H](CCC#N)N1CCn2ncnc2C1 567988317 AFQSHJBXBUAFFL-VIFPVBQESA-N 205.265 0.786 30 20 BCED N#CC1(CNS(=O)(=O)C[C@@H]2CCOC2)CC1 569300344 PZLIUWUCKFIRCF-SECBINFHSA-N 244.316 0.246 30 20 BCED COc1cncc(NC(=O)NC[C@@H](C)C#N)n1 570805714 MKIPTJJJRKXROA-ZETCQYMHSA-N 235.247 0.766 30 20 BCED CCOCCOC1CN(c2cc(C#N)ncn2)C1 571620679 YBHZPAAZVDJKHV-UHFFFAOYSA-N 248.286 0.590 30 20 BCED CC(F)(F)CNS(=O)(=O)CC1(C#N)CC1 579863920 DNWWHNKJJJUGHC-UHFFFAOYSA-N 238.259 0.865 30 20 BCED C=C[C@H]1CCCCN1C(=O)c1n[nH]c(O)n1 580307732 RAFXUPQKQCPUBO-ZETCQYMHSA-N 222.248 0.691 30 20 BCED CO[C@H]1CN(C(=O)NC[C@H](C)C#N)C[C@H]1OC 580690207 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30 20 BCED Cc1ccc(C#N)nc1N1C[C@@H](C)O[C@@H](CO)C1 596206495 SHENRTQDMSNGRQ-ZYHUDNBSSA-N 247.298 0.848 30 20 BCED Cc1ccc(C#N)nc1N1C[C@@H](CO)[C@@H](O)C1 596265186 RCJFQDJFVWBXLQ-ONGXEEELSA-N 233.271 0.051 30 20 BCED N#Cc1ccccc1OCCn1cc(CO)nn1 596298360 ZHXNJKNKDINDGJ-UHFFFAOYSA-N 244.254 0.721 30 20 BCED C=CCSCCNC(=O)[C@@H](O)C1CC1 596972517 CCCJWRUMUFIRJZ-VIFPVBQESA-N 215.318 0.793 30 20 BCED C=C[C@@H](O)C(=O)N(CC)CCSC 597809934 ZZMNRXDANQHJFR-MRVPVSSYSA-N 203.307 0.745 30 20 BCED C[C@H](C#N)N(C(=O)[C@H]1COCCO1)C1CC1 598131925 LHVKAKDBHMWYHK-PSASIEDQSA-N 224.260 0.305 30 20 BCED N#C[C@@H]1CSCCN1C(=O)CCCCO 601408058 KIJKQBDNAYIWDW-SECBINFHSA-N 228.317 0.617 30 20 BCED CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 601647056 JSVWQPOLTDFBST-HBNTYKKESA-N 237.303 0.710 30 20 BCED CC(C)(C#N)CNC(=O)N1C[C@H]2COC[C@H]2C1 602291754 XQMQOSQRGHLZAE-AOOOYVTPSA-N 237.303 0.824 30 20 BCED CCNC(=O)[C@H](C)NCc1cccc(C#N)n1 602586195 KJNZDABWGDXYJV-VIFPVBQESA-N 232.287 0.567 30 20 BCED 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BCED CC[S@](=O)CC(=O)N(C1CC1)[C@H](C)C#N 598770100 JAIUXDNNBILSFR-GLEZIHRCSA-N 228.317 0.658 30 20 BCED CC(C)C[C@H](C#N)NC(=O)C1(n2cnnn2)CC1 598826268 LOZBTPULTVNBNC-SECBINFHSA-N 248.290 0.217 30 20 BCED CO[C@H]1C[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 599189541 GYQBRTRWGAGSNN-DTORHVGOSA-N 248.242 1.451 30 20 BCED CC[C@@H](C#N)NC(=O)c1cn(C2CC2)nn1 599236306 ACJUTVSHSMWJDA-ZETCQYMHSA-N 219.248 0.645 30 20 BCED C[C@@H](CCC#N)CN(C)CCOCCO 602659475 QRIIZCQVFFXBPJ-NSHDSACASA-N 214.309 0.867 30 20 BCED N#C[C@@]1(NC(=O)c2cc[nH]n2)CCSC1 603886967 VPIDKZQUMYSDCE-VIFPVBQESA-N 222.273 0.539 30 20 BCED N#C[C@]1(NC(=O)[C@H]2CCCOC2)CCSC1 609024880 UBILXIJTQACRTB-GXSJLCMTSA-N 240.328 0.928 30 20 BCED CCNC(=O)CCC(=O)NC1(C#N)CCC1 609157237 SGQOPGFZZBYLLL-UHFFFAOYSA-N 223.276 0.465 30 20 BCED C[C@H](O)CN(C)C(=O)Nc1nn(C)cc1C#N 610562931 LFPOYTFLZNCNSZ-ZETCQYMHSA-N 237.263 0.136 30 20 BCED Cc1[nH]nc(C(=O)NCC(C)(C)C#N)c1O 611690894 ZOQFCFVFBJLUIS-UHFFFAOYSA-N 222.248 0.703 30 20 BCED C=C[C@H](O)C(=O)N[C@@H](COC)c1ccc(C)o1 611802381 ANOZWHIHQUZJJX-UWVGGRQHSA-N 239.271 0.939 30 20 BCED C=C[C@](C)(O)C(=O)N1C[C@H](CC)[C@@H](O)C1 613097066 LROABDLPWBIABA-QXEWZRGKSA-N 213.277 0.153 30 20 BCED C=C[C@](C)(O)C(=O)N1CCN(C)[C@@H](C)[C@H]1C 613227243 QQUZOVVTVWGMDI-UMNHJUIQSA-N 226.320 0.474 30 20 BCED C=C[C@H](O)C(=O)N1CCO[C@H](C(C)C)C1 613309448 CTMAUEYEBKWWMK-UWVGGRQHSA-N 213.277 0.417 30 20 BCED C=CCCCNC(=O)C1(n2cnnn2)CC1 614208993 CTRNBRHXYYDXFI-UHFFFAOYSA-N 221.264 0.245 30 20 BCED N#C[C@@]1(F)CCN(C(=O)NC2CCOCC2)C1 615534578 DVVBQLMSAWKCBM-NSHDSACASA-N 241.266 0.813 30 20 BCED C=C[C@H](N[C@H](C)[C@H]1CN(C)CCO1)C(=O)OC 619702984 CGYQGNCTNNDQPY-OUAUKWLOSA-N 242.319 0.023 30 20 BCED C=C[C@H](CO)NC(=O)c1ccc(C)nn1 620592117 KWTWFISBCFREQO-MRVPVSSYSA-N 207.233 0.062 30 20 BCED CC#CCNCc1cn(Cc2cc[nH]n2)nn1 641049543 NZIYDAXXYKOEBR-UHFFFAOYSA-N 230.275 0.162 30 20 BCED C=CCn1cc(CNC(=O)[C@H](C)N(C)C)nn1 644785908 PDIFHNMEVUZZAF-VIFPVBQESA-N 237.307 0.030 30 20 BCED CC#CC[C@@H](CO)NC(=O)NCCC(C)(C)O 645451467 BBAUGPDNOKFCOS-JTQLQIEISA-N 242.319 0.221 30 20 BCED C=CCCNC(=O)N1CCCN(CC)C(=O)C1 661569066 FZXYLFXXANCBOS-UHFFFAOYSA-N 239.319 0.826 30 20 BCED C=C(CC)CN1CCCN(C)S1(=O)=O 664061935 AREQCLBBUSVIAH-UHFFFAOYSA-N 218.322 0.835 30 20 BCED C=C[C@](C)(O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 667876289 HONQUIWYIORVMT-SKDRFNHKSA-N 240.303 0.049 30 20 BCED C=C[C@H](O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 669194026 LNVHECDNLCLCDP-LMLFDSFASA-N 239.315 0.853 30 20 BCED C=CCCOCCNC(=O)C(=O)NC1CCC1 671087717 XMZUXMVIPLGMCA-UHFFFAOYSA-N 240.303 0.364 30 20 BCED CCCN(CC#CCOC)CC(=O)N(C)C 677477659 QMUAKHAFXVVSHA-UHFFFAOYSA-N 226.320 0.436 30 20 BCED COCC#CCN(C)CCNC(=O)C(C)C 678087710 XELPAAPXQZPKMA-UHFFFAOYSA-N 226.320 0.340 30 20 BCED COCC#CCN1C(=O)CC(C)(C)C1=O 678822284 AOTAOCJCHLUQPL-UHFFFAOYSA-N 209.245 0.421 30 20 BCED C#C[C@](C)(CC)NC(=O)[C@H]1CCCS1(=O)=O 694692986 MZHHMSIBCQIMNL-MWLCHTKSSA-N 243.328 0.482 30 20 BCED C[C@@H]1COC[C@H]1N=c1cc[nH]c(C#N)n1 699865733 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0.612 30 20 BCED CCC(=NNCCS(C)(=O)=O)[C@H]1CCOC1 741842260 IDPKHJPCMKJBJJ-VIFPVBQESA-N 248.348 0.423 30 20 BCED CN(CC#N)C(=O)c1ccc(NC=O)cc1 742248044 MSRHTWHODMDHMG-UHFFFAOYSA-N 217.228 0.850 30 20 BCED CC#CCOC(=O)/C=C/c1cnn(C)c1 744580796 LSGWONIGAMMHRK-AATRIKPKSA-N 204.229 1.000 30 20 BCED C=C(C)COC(=O)c1ccc(C(N)=O)cn1 748890742 HIOGGDDOLXUWGF-UHFFFAOYSA-N 220.228 0.913 30 20 BCED C#CCOCCC(=O)N(CCO)CC1CC1 757121421 AGEAMIFTLLUJPW-UHFFFAOYSA-N 225.288 0.257 30 20 BCED C#CCOCCN1C(=O)[C@@H]2CCCCN2C1=O 761348637 DMEYVWXCPODNQT-JTQLQIEISA-N 236.271 0.453 30 20 BCED C#CCOCCOC(=O)c1cnc(OC)nc1 762718733 OYMKQNNMODSKEX-UHFFFAOYSA-N 236.227 0.292 30 20 BCED COCC#CCOC(=O)[C@@H]1CCc2n[nH]cc2C1 762868030 ZJZHWDBTCDHNCO-SNVBAGLBSA-N 248.282 0.708 30 20 BCED N#C[C@H]1CN(C[C@@H]2CC3(CC3)C(=O)O2)CCO1 763687660 FUJONIYJLDYDBH-UWVGGRQHSA-N 236.271 0.306 30 20 BCED C#CCNC(=O)[C@@H](C)N(CC)C[C@H]1CCOC1 764198428 YETZFFNOUJXSOZ-VXGBXAGGSA-N 238.331 0.483 30 20 BCED CC(C)[C@H](C#N)NC(=O)[C@@H](O)c1cccnc1 765018582 VRQCRCPXFURSAZ-QWRGUYRKSA-N 233.271 0.779 30 20 BCED C=CCOCC(=O)N1CCC[C@@H](OC(C)=O)C1 765077185 GHSJBMPCNHULCN-LLVKDONJSA-N 241.287 0.743 30 20 BCED CCO[C@@H]1CCCC1=NNC1=NC[C@H](C)N1 766455961 VTPQXVBNVNQBSX-WCBMZHEXSA-N 224.308 0.869 30 20 BCED COc1nc(O)cc(C(=O)O[C@H](C)C#N)n1 770515125 FVNPNGROIGJTAM-RXMQYKEDSA-N 223.188 0.260 30 20 BCED C#CCNC(=O)[C@H](C)OC(=O)CCCC(C)=O 772367571 JVSKAHZVJPQZEA-JTQLQIEISA-N 239.271 0.427 30 20 BCED C#C[C@@H](NC(=O)Cc1cc(C)[nH]n1)[C@@H]1CCCO1 772893191 SHVLZRDIVWKSKH-NEPJUHHUSA-N 247.298 0.558 30 20 BCED CNC(=O)CCCC(=O)N=C1C[C@@H](C)ON1 780974868 DIYFVBNPBGMHDM-SSDOTTSWSA-N 227.264 0.141 30 20 BCED CNC(=O)CCCC(=O)OCC1(C#N)CC1 781232993 WFHDQHGGJYLXPS-UHFFFAOYSA-N 224.260 0.750 30 20 BCED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C=C 783012219 NVVKBFIFRKFFLY-SECBINFHSA-N 246.332 0.461 30 20 BCED COC[C@H](C#N)OC(=O)[C@H]1CSCCS1 785107647 SUAWIEQAMMPMGC-JGVFFNPUSA-N 247.341 0.917 30 20 BCED CCN(C[C@H]1CCOC1)C(=O)NCCC#N 787359428 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30 20 BCED CC#CC(=O)N[C@](C)(CC)CC(=O)OC 801165127 OSDONHYALBRYFN-LLVKDONJSA-N 211.261 0.858 30 20 BCED CC#CC(=O)NCCC(OCC)OCC 801222285 VBPXCGPIJVDPOT-UHFFFAOYSA-N 213.277 0.915 30 20 BCED C#CCOCCNC(=O)N1CCCCO1 802288870 WZEMBZOTNMTYGI-UHFFFAOYSA-N 212.249 0.373 30 20 BCED CCc1[nH]ccc1C(=O)OCC(=O)NCC#N 803776936 KDSQDOUHPSNTQM-UHFFFAOYSA-N 235.243 0.374 30 20 BCED C#Cc1cncc(C(=O)N[C@@H](C)CN(C)C)c1 805427113 NYNYZZTXCUBOSI-JTQLQIEISA-N 231.299 0.743 30 20 BCED C[C@H]1Oc2ccccc2N(CC(=O)NO)C1=O 812042186 WDZNWBKFCJGHDI-SSDOTTSWSA-N 236.227 0.306 30 20 BCED COC[C@@H](C)[C@H](C)C(=O)OCC(=O)NCC#N 812626595 OTTVLGHOQZWPGC-BDAKNGLRSA-N 242.275 0.088 30 20 BCED C#CCONC(=O)[C@H]1Cc2ccccc2C(=O)O1 812782568 YGIWAJMEUVBFLF-LLVKDONJSA-N 245.234 0.449 30 20 BCED CCn1nc(C)c(C(=O)N(C)CC#N)n1 815166165 ZOQVOMLPJAYZBQ-UHFFFAOYSA-N 207.237 0.202 30 20 BCED C=CCC(F)(F)C(=O)N[C@H]1CNC(=O)C1 815980924 BPWUDPALVCBWKZ-ZCFIWIBFSA-N 218.203 0.203 30 20 BCED CCc1ccc(C#CC(=O)NOCCO)cc1 816175225 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20 BCED C=C(Cl)CN[C@@H]1CCN(C(=O)COC)[C@H]1C 985833458 RFZJNAAFWXGOGB-VHSXEESVSA-N 246.738 0.964 30 20 BCED C=CCN[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1C 986191730 MTJAVMORILZZOG-PWSUYJOCSA-N 246.314 0.855 30 20 BCED C[C@H]1C[C@@H](NCC#N)CN1C(=O)C(F)F 987696588 PTUFXWWKPCMFOT-NKWVEPMBSA-N 217.219 0.354 30 20 BCED C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccnc2)C1 987804354 UYVHAHZPDDWANS-YPMHNXCESA-N 243.310 0.907 30 20 BCED C=C(C)CN[C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 988424970 WGFYPTZXOSMNDJ-ZJUUUORDSA-N 239.319 0.017 30 20 BCED N#CCN1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 1002758116 BTFXCCMRRIDHAB-VIFPVBQESA-N 243.257 0.746 30 20 BCED CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCC#N)C1 1019999605 WNPNUWJDTCKJRZ-GWOFURMSSA-N 237.303 0.172 30 20 BCED N#CCN[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 1021968566 VWDDBAWKAYMQEP-OUAUKWLOSA-N 237.303 0.316 30 20 BCED C#CCN1CCC[C@H]1CNC(=O)c1coc(C)n1 1027834496 HWOXQYVNMJEDJS-NSHDSACASA-N 247.298 0.810 30 20 BCED Cc1cc(C(=O)N(C)[C@@H]2CCN(CC#N)C2)on1 1032908683 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0.579 30 20 BCED C#CCCN(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 1189401425 WLZMZLAZQAKFBS-NWDGAFQWSA-N 233.315 0.702 30 20 BCED C=CC(C)(C)C(=O)N[C@@H]1CN(CC)C[C@H]1O 1195312296 LIKVTSZZAAMBPD-NXEZZACHSA-N 226.320 0.380 30 20 BCED C#CCCCC(=O)N1CCC[C@H](NCC#N)C1 1207945266 YZGIIJWFFMTRRR-LBPRGKRZSA-N 233.315 0.894 30 20 BCED C=C(CC)CNC(=O)C(=O)NC[C@H](C)SC 1261401798 YODHRYFPYPTTKT-VIFPVBQESA-N 244.360 0.937 30 20 BCED C=C[C@H](CO)NC(=O)[C@H](C)n1cccc1 1261757000 ZMMDMBUPWRRLCP-VHSXEESVSA-N 208.261 0.712 30 20 BCED CCN(CCC#N)C(=O)c1cc(=O)n(C)cn1 1261907155 VPSFFDCXZYOOPB-UHFFFAOYSA-N 234.259 0.156 30 20 BCED C=CCC[C@@H](N[C@H](C)Cn1cncn1)C(=O)O 1262157658 LJWPYIVEHVFCLY-NXEZZACHSA-N 238.291 0.676 30 20 BCED CCN1CCCN(C(=O)C#CCOC)[C@H](C)C1 1262178732 OQTOMFPQHINYIH-GFCCVEGCSA-N 238.331 0.579 30 20 BCED CC#CCN(C)c1nnnn1C[C@H]1C[C@@H]1C 1262398938 GMXSZUIYKCGTSK-VHSXEESVSA-N 219.292 0.789 30 20 BCED C=C(CC)C(=O)NCCc1n[nH]c(C)n1 1263728399 QNWZYFMGGZMHAJ-UHFFFAOYSA-N 208.265 0.738 30 20 BCED 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0.990 30 20 BCED N#CCCC[C@@H](N)C(=O)NCCCCCO 691596100 WMTUHDMGAGLUFS-SNVBAGLBSA-N 227.308 0.286 30 20 BCED C[C@H](C(=O)NC1(C#N)CC1)n1cncn1 695229195 JEFVUABWFQRFHL-SSDOTTSWSA-N 205.221 0.011 30 20 BCED C#CCN(CC#CC)C(=O)[C@@H]1CC[C@@H](C(=O)O)O1 708448132 YISJOLGTARXWMH-QWRGUYRKSA-N 249.266 0.104 30 20 BCED C[C@H]1CN(c2ccnc(C#N)n2)C[C@]1(C)C(=O)O 710202600 FWXGOAWJSCCZMY-UFBFGSQYSA-N 246.270 0.895 30 20 BCED CC[C@@H](CC#N)NC(=O)c1cn(C)c(=O)n1C 710466716 BSAZPGRGHNINBJ-QMMMGPOBSA-N 236.275 0.146 30 20 BCED C#CC[C@H](COC)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 716962376 JJWWVFBNHJAJIC-BBBLOLIVSA-N 239.271 0.252 30 20 BCED C#CC[C@@H](CO)NC(=O)c1ccsn1 717783731 MVCUYJSTCFEJSA-ZETCQYMHSA-N 210.258 0.257 30 20 BCED C#CC[C@H](CO)NC(=O)C[C@@H]1C=CCC1 717784938 UHCQMKAKGUNFSH-GHMZBOCLSA-N 207.273 0.843 30 20 BCED C#CC[C@@H](CO)NC(=O)Cc1ccc(C#N)cc1 717831444 UXFZGZRHGFAOFT-ZDUSSCGKSA-N 242.278 0.601 30 20 BCED Cn1nnc2cc(C(=O)OCC#N)ccc21 729732821 SGBIHRZHJNCRGP-UHFFFAOYSA-N 216.200 0.649 30 20 BCED C[C@@H](C#N)C(=O)Nc1nc(CC(=O)O)cs1 736200210 AIGFYGSJTNNVTF-YFKPBYRVSA-N 239.256 0.868 30 20 BCED C#Cc1ccc(C(=O)N(CC(=O)O)C2CC2)nc1 737496494 WKUITSGNJMBHRK-UHFFFAOYSA-N 244.250 0.752 30 20 BCED N#CCC1(COC(=O)[C@@H]2CCC(=O)NC2)CC1 744279341 HTNZCZMBORXIRJ-SECBINFHSA-N 236.271 0.750 30 20 BCED CC[C@](C)(C#N)NC(=O)c1nonc1C 746191241 SOOWUDSIIKXHND-SECBINFHSA-N 208.221 0.800 30 20 BCED COCCON=Cc1ccc(C(=O)N(C)C)[nH]1 752168694 OYSVEXWZEXYGIN-UHFFFAOYSA-N 239.275 0.713 30 20 BCED C#Cc1ccc(C(=O)N2CC(F)C2)cn1 753071510 ORTZQPXMVDICHJ-UHFFFAOYSA-N 204.204 0.857 30 20 BCED C#CCCCC(=O)OCC(=O)[C@H]1CCOC1 759175517 DZGPHRAPMRAHLV-JTQLQIEISA-N 224.256 0.939 30 20 BCED N#CCNC(=O)COC(=O)c1cncc(F)c1 759431835 VGZLIRDWJQRPOI-UHFFFAOYSA-N 237.190 0.017 30 20 BCED COCC#CCOC(=O)C(C)(C)COC 762864741 NJESLFDQFDWNAJ-UHFFFAOYSA-N 214.261 0.852 30 20 BCED C#Cc1ccc(C(=O)NCC[C@H](O)CC)cn1 763837416 XEWYRWLZFYLHEA-GFCCVEGCSA-N 232.283 0.954 30 20 BCED CN(CC#N)CN1C[C@@H](c2cccnc2)CC1=O 765683343 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BCED C#CCNC(=S)N1CC[C@@]2(CCN(C)C2)C1 793323853 XEYHJWPJGONIGP-GFCCVEGCSA-N 237.372 0.522 30 20 BCED C[C@H]1CSCC1=NN[C@@H]1CCS(=O)(=O)C1 794855962 CENZFQKSWNIOIR-JGVFFNPUSA-N 248.373 0.502 30 20 BCED COc1ccnc(NN=C2C(=O)OC[C@H]2C)n1 794891708 SWUMVBXJNZSRFW-ZCFIWIBFSA-N 236.231 0.446 30 20 BCED C#Cc1cncc(C(=O)N2CCS(=O)CC2)c1 798168484 JKFWVXVXHINDDB-UHFFFAOYSA-N 248.307 0.267 30 20 BCED C#CCC[C@@H](O)CNC(=O)N=c1cc[nH]c(C)c1 799223931 MJNAJZRWBVYFGM-GFCCVEGCSA-N 247.298 0.708 30 20 BCED CC#CC(=O)NCC1(C(=O)OC)CCCC1 801164389 LBPJIMGFHSQXIA-UHFFFAOYSA-N 223.272 0.859 30 20 BCED Cc1nccc(C(=O)OCCO[C@H](C)C#N)n1 801825649 GDGPGPLXBRSFRC-MRVPVSSYSA-N 235.243 0.871 30 20 BCED CO[C@@H](C)CC(=O)OCCO[C@@H](C)C#N 801833693 FYXOAKOAKYQUIM-IUCAKERBSA-N 215.249 0.883 30 20 BCED CON=CC(=O)NC[C@@H]1CCCCN1C1CC1 809798068 IEYAUACTWNWFIE-NSHDSACASA-N 239.319 0.752 30 20 BCED C=C[C@](C)(O)CC(=O)NC[C@H]1COC(C)(C)O1 810532802 XXPDYXOWLBSISU-CABZTGNLSA-N 243.303 0.581 30 20 BCED CC#CCCOC(=O)c1cc2n(n1)CCO2 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221.260 0.231 30 20 BCED C=C[C@H](O)C(=O)N1CCCC[C@H]1CNC(C)=O 629858112 PIINDXYROHRUGF-QWRGUYRKSA-N 240.303 0.051 30 20 BCED C=C(C)CNC(=O)Cn1cc(C(=O)O)cn1 630289247 RAOQQWQTFDCXCO-UHFFFAOYSA-N 223.232 0.274 30 20 BCED C=CCN(CC=C)C(=O)c1cc(CO)on1 630406224 PGRFWCLNLVVFMU-UHFFFAOYSA-N 222.244 0.981 30 20 BCED C=C[C@@](C)(O)CC(=O)NCc1conc1C 633279238 QOHSBQLDIOGRHK-LLVKDONJSA-N 224.260 0.926 30 20 BCED Cc1cnc(NC(=O)NCC#CCO)s1 639455199 OTVASXSVANSJSL-UHFFFAOYSA-N 225.273 0.569 30 20 BCED CC#CC[C@@H](CO)NC(=O)[C@](C)(OC)C1CC1 649181155 UQLYTSGUIXTTFK-WCQYABFASA-N 239.315 0.692 30 20 BCED CC#CC[C@@H](CO)NC(=O)CCc1cccnc1 649192877 RPBXYNQLIFSZCX-ZDUSSCGKSA-N 246.310 0.905 30 20 BCED C=C(C)CN(CC)C(=O)Cn1ccc(C)nc1=O 663967640 RVJKLXWAYCAHQQ-UHFFFAOYSA-N 249.314 0.976 30 20 BCED C=C[C@](C)(O)C(=O)N(C)C[C@H]1CCCN(C)C1 668800602 UZZDVTQLIMTIAD-AAEUAGOBSA-N 240.347 0.724 30 20 BCED C=C(C)COCCNC(=O)[C@H](C)NC(=O)CC 675577934 VLSBXAYNFOHBTK-JTQLQIEISA-N 242.319 0.610 30 20 BCED C=CCCOCC(=O)NC[C@H]1CCCC(=O)N1 684076977 BBXVKSRLXGWNLU-SNVBAGLBSA-N 240.303 0.364 30 20 BCED C#CCCS(=O)(=O)NC[C@@](C)(O)C(C)C 710939104 RUPBLWGGMUJTDQ-SNVBAGLBSA-N 233.333 0.336 30 20 BCED C#CCCS(=O)(=O)N[C@@H](C)[C@@H](OC)C1CC1 711175147 PVQFPBNGPMIUJE-GXSJLCMTSA-N 245.344 0.743 30 20 BCED C#CC[C@H](CO)NC(=O)c1snnc1CC 717702871 MBLATKHYLXLNQF-SSDOTTSWSA-N 239.300 0.215 30 20 BCED CC(C)(C#N)C(=O)N1CC[C@@H](c2nn[nH]n2)C1 720463958 SGYLLLHYBHDNHG-SSDOTTSWSA-N 234.263 0.065 30 20 BCED Cn1ncc(C(=O)N2CCC[C@@H](C#N)C2)c1N 725163511 QQVXNEXOAAAYES-QMMMGPOBSA-N 233.275 0.378 30 20 BCED C#CCOC(=O)c1ccc(S(N)(=O)=O)s1 728339238 SKBQKVKZVRWNPO-UHFFFAOYSA-N 245.281 0.186 30 20 BCED C=CC[C@H](C)C(C)=NNC(=S)NCC(N)=O 731929688 ITGZNJQNPMTGEV-ZETCQYMHSA-N 242.348 0.524 30 20 BCED C=CCNC(=S)N1CCC[C@H](C(=O)NC)C1 731945259 TWWYVXKFXGYJSC-VIFPVBQESA-N 241.360 0.505 30 20 BCED C=CCCOCC(=O)O[C@H]1CCN(C)C1=O 734892395 AHNOZQPTLYIOOA-VIFPVBQESA-N 227.260 0.353 30 20 BCED CC(C)C[C@H](NC(=O)O)C(=O)N(C)CC#N 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0.154 30 20 BCED COc1ccsc1C(C)=NNC(=N)N 769775106 PXUDMURWRCRLLN-UHFFFAOYSA-N 212.278 0.964 30 20 BCED C#C[C@@H](C)NC(=O)CCCn1cccn1 772967992 BCJCGVBDIBEJTP-SNVBAGLBSA-N 205.261 0.801 30 20 BCED CN1CC[C@@H](C(=O)OCC2(C#N)CC2)CC1=O 775840962 OPWUKTRGXKMMMZ-SECBINFHSA-N 236.271 0.702 30 20 BCED C=C(C)CN(C)C(=S)NCC(=O)N(C)C 777918327 LYXHEIOYKJNJHP-UHFFFAOYSA-N 229.349 0.457 30 20 BCED Cc1nn(C)c(C)c1C=NNC1=NC[C@@H](C)N1 779801255 STOGANLBKDGRII-SSDOTTSWSA-N 234.307 0.308 30 20 BCED C#CCOCCC(=O)OCCC1OCCO1 781194831 OUKJSEMLEBZFPT-UHFFFAOYSA-N 228.244 0.333 30 20 BCED CC(=NN1CC(=O)N(C)C1=O)[C@]1(C)CCCO1 782266534 KIFLZAKSARCHFY-NSHDSACASA-N 239.275 0.825 30 20 BCED C#CCOCCNC(=O)CC(F)(F)F 784607647 WFTDUXREPLTYIT-UHFFFAOYSA-N 209.167 0.705 30 20 BCED CCCS(=O)(=O)CCN1CC[C@@](F)(C#N)C1 786440079 FSOIQEHEONUGII-SNVBAGLBSA-N 248.323 0.749 30 20 BCED C#CCCOC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 786929806 IWAIZDPWSPPKHC-VHSXEESVSA-N 223.272 0.845 30 20 BCED COc1ccc(CNC(=O)[C@H](C)O)cc1C#N 787136643 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CC[C@@H](C)[C@](C)(O)CNC(=O)C=NOC 809690079 ZUGGYOGWDZQVCD-PSASIEDQSA-N 216.281 0.532 30 20 BCED CON=CC(=O)Nc1nc2cnccc2[nH]1 809740072 ZFPJPSZFOZDPOJ-UHFFFAOYSA-N 219.204 0.529 30 20 BCED C=CCC1(S(=O)(=O)NC(=O)CC)CC1 810988999 VWHAMGLETDUXBG-UHFFFAOYSA-N 217.290 0.951 30 20 BCED C=C[C@@H](O)C(=O)O[C@H](C)C(=O)OCCCC 814550258 KLJBRQNQBFPRKF-RKDXNWHRSA-N 230.260 0.808 30 20 BCED C=C[C@@H](O)C(=O)O[C@H](C)C(=O)NC1CCCC1 814551677 VXIBXUWKODRZNW-PSASIEDQSA-N 241.287 0.524 30 20 BCED Cc1cc(O)nc(NN=Cc2cnn(C)c2N)n1 814681733 ZYHDQPGBCUQAND-UHFFFAOYSA-N 247.262 0.252 30 20 BCED COc1ccc2c(c1)OCC2=NNC[C@@H](C)O 814961777 RWROKBWGZLSSHF-MRVPVSSYSA-N 236.271 0.762 30 20 BCED C[C@H](O)CNN=C1CCC[C@H](S(C)(=O)=O)C1 814966191 RDVHUQLTGFDPFE-WPRPVWTQSA-N 248.348 0.300 30 20 BCED CON=CC(=O)N1C[C@@H](CO)Cc2ccccc21 816784373 MGTMPDDBLSQZAR-JTQLQIEISA-N 248.282 0.816 30 20 BCED C[C@H](C#N)C(=O)N(C)[C@H]1CC(C)(C)OC1=O 817074164 MEWPYFUJMOOZEJ-SFYZADRCSA-N 224.260 0.699 30 20 BCED Cc1nnc(NN=C2CCn3cccc32)nc1O 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C[C@](O)(CNc1cc(C#N)cnn1)C(F)(F)F 596177745 HLQMXURGBIJYHC-QMMMGPOBSA-N 246.192 1.073 30 20 BCED CCc1nc(C#N)cc(N2CC[C@@H](O)[C@H]2C)n1 596258643 LSSGVKJWXVLSKZ-PSASIEDQSA-N 232.287 0.870 30 20 BCED N#CCCN(CC1CC1)C(=O)[C@@H](O)C1CC1 597145681 ARTYDIAKZNGPKS-NSHDSACASA-N 222.288 0.910 30 20 BCED N#CCN(C(=O)C[C@H]1CC(=O)N1)C1CCCC1 597276510 KPCRGPBVNRJSFD-SECBINFHSA-N 235.287 0.560 30 20 BCED CN(C(=O)c1ccc(C#N)cn1)C1(CO)CC1 597640390 AIDTUOQBIKMMKJ-UHFFFAOYSA-N 231.255 0.550 30 20 BCED CN(CC(C)(C)C#N)C(=O)[C@H]1CCNC1=O 597694649 HVYFMJIXANVLOS-QMMMGPOBSA-N 223.276 0.131 30 20 BCED N#Cc1ccsc1C(=O)N1CCOCCN1 597708009 VQNGHSJNMILZEW-UHFFFAOYSA-N 237.284 0.597 30 20 BCED C[C@@H](O)C(=O)NCCc1ccc(C#N)cc1 597889816 NHISVOYPSRIQQX-SECBINFHSA-N 218.256 0.598 30 20 BCED CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCC[C@H]1O 598730342 UEAJRDCYCAMHES-GMTAPVOTSA-N 226.320 0.790 30 20 BCED Cc1onc(CC(=O)N2N[C@H]3CC[C@H]2C3)c1C#N 600380812 GRTYVEUZTYQUEW-IUCAKERBSA-N 246.270 0.665 30 20 BCED 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648737783 HXWRNSWJPXVOPD-UHFFFAOYSA-N 238.316 0.653 30 20 BCED CC#CC[C@H](CO)NC(=O)[C@H]1C[C@]12CCOC2 649183705 YNIHKCJHDYWAHT-WZRBSPASSA-N 237.299 0.304 30 20 BCED CC#CC[C@H](CO)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 649187416 PSUMURPKLKFDQL-DDHJBXDOSA-N 237.299 0.444 30 20 BCED C=CCCNS(=O)(=O)Cc1cc(C)no1 657077122 LXQVFWVBWNJORQ-UHFFFAOYSA-N 230.289 0.979 30 20 BCED C=CCN(C(=O)[C@H](C)NC)[C@@H](C)COC 659340765 XLLVIYFDWBTRPG-UWVGGRQHSA-N 214.309 0.644 30 20 BCED C=C(C)CNC(=O)NCCOCCF 661045573 MOKTWVMDGHVHKJ-UHFFFAOYSA-N 204.245 0.848 30 20 BCED C=CCCNC(=O)N1CC[C@@H](n2cncn2)C1 661570520 OHGJVFDYVMYWRU-SNVBAGLBSA-N 235.291 0.811 30 20 BCED C=CCOCCCNC(=O)[C@@H]1COCCN1C 663217809 NNMXYMHFESNQRE-NSHDSACASA-N 242.319 0.026 30 20 BCED C=CCCOCCNC(=O)c1cnco1 677588484 ZRRLRAGKEJNOIG-UHFFFAOYSA-N 210.233 0.997 30 20 BCED N#C[C@H]1CCCN(C(=O)c2ccnc(CN)c2)C1 693981149 AESSQKNETHWLQO-SNVBAGLBSA-N 244.298 0.916 30 20 BCED CC[C@H](NC(=O)C1(C#N)CC(C)C1)C(=O)NC 697419342 PENRAXRNYKJAJW-XEVUQIKYSA-N 237.303 0.567 30 20 BCED N#CCNC(=O)c1cccc(-c2nn[nH]n2)c1 701307327 YZNNUNGIOXLYQM-UHFFFAOYSA-N 228.215 0.120 30 20 BCED C#CCCCNC(=O)c1ccnnc1C 701784785 WZSLKPVPNOLXNU-UHFFFAOYSA-N 203.245 0.928 30 20 BCED C#CCCCS(=O)(=O)NCc1cocn1 710227765 ZEHTYSBVHNUNOQ-UHFFFAOYSA-N 228.273 0.507 30 20 BCED Cc1cc(C#N)cc(N2CCN[C@H](CCO)C2)n1 710576145 KAJQYNAZEVKGBJ-GFCCVEGCSA-N 246.314 0.422 30 20 BCED C#CCCCS(=O)(=O)N[C@H](CO)CC#CC 711175365 KRJSCOAVEVRWEU-NSHDSACASA-N 243.328 0.094 30 20 BCED C[C@H](NC[C@H](O)[C@H](C)O)c1cccc(C#N)c1 717378094 XFGAMZSQTKDRFA-KWBADKCTSA-N 234.299 0.951 30 20 BCED C#CC[C@H](CO)N[C@@H](C)c1cnccn1 717778189 YLVBRBPCXBCHME-VHSXEESVSA-N 205.261 0.511 30 20 BCED C#CCC[C@@H](O)CNc1cc(N)ncn1 717957471 QEEKCDFDCULELK-MRVPVSSYSA-N 206.249 0.245 30 20 BCED C=CCCC(=O)OCCN1C(=O)CCC1=O 726654691 FLIUDYQXWOEIAH-UHFFFAOYSA-N 225.244 0.645 30 20 BCED COCCC(=O)Nc1cnn(CC#N)c1 727102955 BPKHIVFIVOGAFV-UHFFFAOYSA-N 208.221 0.382 30 20 BCED C#Cc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)nc1 730509202 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N#CCCNC(=O)C(F)(F)C1(O)CCCC1 803239849 FTILEEHDIBLQJZ-UHFFFAOYSA-N 232.230 0.957 30 20 BCED C#CCCCOC(=O)COCC(=O)OC 803804571 XVDSQOJRNPKIKO-UHFFFAOYSA-N 214.217 0.133 30 20 BCED CCc1nncn1CCN=c1cc[nH]c(C#N)c1 804522333 XYENSVZAPFOBGK-UHFFFAOYSA-N 242.286 0.641 30 20 BCED C#CCCCCCC(=O)N(C)CCC(N)=O 804743768 ODULJRSLZZRZDM-UHFFFAOYSA-N 224.304 0.904 30 20 BCED C#CCCS(=O)(=O)NCCC(O)(CC)CC 808309315 JBPSXVWQVJJEFT-UHFFFAOYSA-N 247.360 0.870 30 20 BCED CON=CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C 809744030 RDZZSXNVNBPGMS-BDAKNGLRSA-N 213.281 0.170 30 20 BCED CCn1ncn(N=Cc2ccccc2OC)c1=O 814234486 DOAGELMWBSGAGL-UHFFFAOYSA-N 246.270 0.956 30 20 BCED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)N[C@H](C)CC 814544360 LBPGSLZLDOTBHP-VGMNWLOBSA-N 229.276 0.380 30 20 BCED C[C@H](O)CNN=C1CCCC[C@H]1S(C)(=O)=O 814963006 ZZCLPZXHUDNTTC-WCBMZHEXSA-N 248.348 0.300 30 20 BCED Cn1nncc1NN=Cc1ccncc1 814982300 VMTIDQNBCAQSST-UHFFFAOYSA-N 202.221 0.656 30 20 BCED C#CCNC(=O)CCN1CCCOC[C@@H]1C 815074539 WFNQNWLKMCDIAK-NSHDSACASA-N 224.304 0.237 30 20 BCED C=CCCC(=O)Nn1cnn(CC)c1=O 816738029 MNAFLYIMHXUNLJ-UHFFFAOYSA-N 210.237 0.101 30 20 BCED CC#CC(=O)NCCCc1nnc(S)n1C 818232355 APEWEWURXCZQTD-UHFFFAOYSA-N 238.316 0.176 30 20 BCED CN1N=C(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCC1=O 819631510 MFXZRDDCDYNHSW-DTWKUNHWSA-N 248.286 0.403 30 20 BCED C#CCNC(=O)N[C@H]1C[C@H](C)n2ccnc21 820208620 QFMBCMVQWIWSGW-IUCAKERBSA-N 218.260 0.821 30 20 BCED C#CC[C@H](CO)NC(=O)[C@@H]1CCN1C(C)(C)C 820353015 ZPVZCZFEBGISFI-MNOVXSKESA-N 238.331 0.360 30 20 BCED C[C@H](CC#N)NC(=O)/C=C\c1ccc(C(N)=O)o1 824688778 IFPSYCFAJNTKHB-QIUOEGRZSA-N 247.254 0.810 30 20 BCED CN(C)c1ccnc(N2CC[C@](O)(CC#N)C2)n1 826618951 TYMZROODJIGDRO-GFCCVEGCSA-N 247.302 0.397 30 20 BCED C#Cc1cnc(N2CCN(CCOC)CC2)nc1 827331961 IHYJPPILLWAVQA-UHFFFAOYSA-N 246.314 0.226 30 20 BCED C=CC[C@@H](C)NC(=O)[C@H]1CCCN1C=O 828040955 RIOOPUUCVQBEHB-NXEZZACHSA-N 210.277 0.688 30 20 BCED C#CCOC(=O)[C@H]1CCc2ncncc2C1 829945366 OCUQLFLOCQGETJ-VIFPVBQESA-N 216.240 0.758 30 20 BCED 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C=CCN1CC(NC(=O)[C@H](C)c2cnn(C)c2)C1 1031507603 XHRLKGZULPVWGP-SNVBAGLBSA-N 248.330 0.510 30 20 BCED C#CCCN1CC(CNC(=O)c2cn[nH]c2)C1 1031558617 FFZIULPBCQQICX-UHFFFAOYSA-N 232.287 0.095 30 20 BCED C#CCN1CC(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 1032115726 PCTFKHJICSMJLR-GXTWGEPZSA-N 248.326 0.094 30 20 BCED CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cocn1 1037340960 UCPLPACZIHKHLL-ADEWGFFLSA-N 245.282 0.500 30 20 BCED C#CCN1CC(N(C)C(=O)[C@H]2CC23CC3)C1 1043968320 LNEDSFHGOXZHHD-LLVKDONJSA-N 218.300 0.562 30 20 BCED C#CCN1CC[C@](C)(NC(=O)c2cc[nH]n2)C1 1046162506 JVEPBNKRCQWIIS-LBPRGKRZSA-N 232.287 0.237 30 20 BCED CC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 1057553823 OZCHQAYFNHXAHI-JTQLQIEISA-N 245.286 0.771 30 20 BCED CC(=O)NC[C@@H]1CCN(c2ccc(C#N)nc2)C1 1061495880 XFZOURACXVSJQR-NSHDSACASA-N 244.298 0.916 30 20 BCED C#CCN1CCC2(C1)CN(C(=O)[C@@H]1CC13CC3)C2 1073012423 QGLYNVJYYOEZJJ-LBPRGKRZSA-N 244.338 0.954 30 20 BCED C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)C1CC1 1078131079 VKMRTPQNWPMLRU-BDAKNGLRSA-N 237.303 0.567 30 20 BCED C=C(C)CN1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](C)C1 1080018733 JHBIVVARTKPHSJ-MWLCHTKSSA-N 249.318 0.431 30 20 BCED C=CCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C 1085511574 WIWMFYOPQCBLEO-LLVKDONJSA-N 248.330 0.752 30 20 BCED Cc1cc[nH]c1C(=O)N(C)C[C@H]1CCN1CC#N 1085573942 JZQQAXMKIWBJNH-LLVKDONJSA-N 246.314 0.993 30 20 BCED N#CCN[C@H]1C[C@H](CNC(=O)c2ccon2)C1 1086314244 YHSVWVLAOLKNNM-KYZUINATSA-N 234.259 0.296 30 20 BCED Cc1ccnc(N[C@H](C)CNC(=O)[C@H](C)C#N)n1 1097731096 ATMRSNHMZSNETM-PSASIEDQSA-N 247.302 0.861 30 20 BCED CC(=O)N[C@@H](C)[C@H](C)N=c1cc[nH]cc1C#N 1112913920 NYWKJEAAIOFMJA-IUCAKERBSA-N 232.287 0.700 30 20 BCED C=C[C@H](COC)N1C(=O)N[C@@](C)(CC)C1=O 1116789212 SVPFZZAADXQSCH-KCJUWKMLSA-N 226.276 0.908 30 20 BCED C=C[C@H](COC)NC(=O)c1cnccc1C#N 1117501984 GIHFYQNROHPGLS-SNVBAGLBSA-N 231.255 0.884 30 20 BCED C=C[C@H](COC)NS(=O)(=O)C1(C)CC1 1117804273 KANXSFBNXIOTIB-MRVPVSSYSA-N 219.306 0.659 30 20 BCED C#CCN(CC1CC1)C(=O)N[C@@H](CN)C1CC1 1117967038 QSLIPDUNVOGANI-LBPRGKRZSA-N 235.331 0.779 30 20 BCED COCC#CC(=O)NCCCOCC(C)C 1118607190 GROOJZXIXXOANM-UHFFFAOYSA-N 227.304 0.815 30 20 BCED CNC(=O)CC1CCN(C[C@H](O)CC#N)CC1 1119759197 KMFDKIBDWLMKQO-LLVKDONJSA-N 239.319 0.109 30 20 BCED C#C[C@H](C)N(C)c1nnc(C(N)=O)n1CC=C 1121613435 ZKEHCBNALRRDQS-QMMMGPOBSA-N 233.275 0.021 30 20 BCED C=CCN(CC(=O)O)C(=O)[C@H]1C[C@H]1F 1123279827 MMJFKVHTDINDNQ-NKWVEPMBSA-N 201.197 0.444 30 20 BCED C#C[C@@H](C)N(C)C(=O)N[C@@]1(C)CCOC1=O 1123767940 WEKQMWHHZUBYFI-KCJUWKMLSA-N 224.260 0.355 30 20 BCED C=C(C)CNCCNC(=O)C[C@H](C)OC 1124594929 QGSSACUIJVAGAN-JTQLQIEISA-N 214.309 0.693 30 20 BCED C=CCCNCCNC(=O)c1conc1C 1133237227 ZLEBWYQKVHDHOW-UHFFFAOYSA-N 223.276 0.879 30 20 BCED CC#CCN[C@@H](C)C[C@@H](C)NC(=O)c1nc[nH]n1 1135736114 VYAMKNWGYGXXRB-VHSXEESVSA-N 249.318 0.315 30 20 BCED CCc1nc(C)c(C(=O)NCCNCC#N)o1 1146694389 JTECEWXTKHGFLC-UHFFFAOYSA-N 236.275 0.388 30 20 BCED C=CCNCCCNC(=O)CCc1ncccn1 1168855316 CLIGYFMNFVJSSF-UHFFFAOYSA-N 248.330 0.691 30 20 BCED C=CCNCCCNC(=O)c1ncccn1 1168942828 MMYHHHBGFQFPSZ-UHFFFAOYSA-N 220.276 0.372 30 20 BCED CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1181734765 OUGGODXJDWTRMG-UTINFBMNSA-N 208.261 0.972 30 20 BCED C[C@@H]1CN(CC#N)C[C@H]1NC(=O)CC(C)(F)F 1208523605 NFUMMRZGGRRTSO-RKDXNWHRSA-N 245.273 0.992 30 20 BCED C=CCN1C[C@H](O)[C@H](NC(=O)C(C)(C)C=C)C1 1220139504 OEKRPQVTTCVLIV-MNOVXSKESA-N 238.331 0.546 30 20 BCED CS(=O)(=O)CCCn1ccc(C#N)cc1=O 1261656931 OGBUCDHNRBZWHU-UHFFFAOYSA-N 240.284 0.155 30 20 BCED CCC[C@H](CCO)NC(=O)C#CCOC 1261880297 WFFMBBIQIZZHFE-SNVBAGLBSA-N 213.277 0.304 30 20 BCED N#CCCN1CCN(C(=O)[C@@H]2C[C@@H]2F)CC1 1263885328 TZRHWVZUTXZUFD-ZJUUUORDSA-N 225.267 0.402 30 20 BCED C[C@@H](CC#N)NC(=O)[C@@H]1CCn2cncc2C1 1319596178 GPLORGNHGXSZJZ-VHSXEESVSA-N 232.287 0.864 30 20 BCED CC(C)(C#N)CS(=O)(=O)NC[C@H]1CCOC1 1319877445 FWTXUWLKVYMPEK-SECBINFHSA-N 246.332 0.492 30 20 BCED C=CC[C@@H]1NC(=O)N([C@H](C)c2nncn2C)C1=O 1321073930 OBBLRWHJRVTUSX-SFYZADRCSA-N 249.274 0.373 30 20 BCED C#C[C@@H](C)NC(=O)C(=O)Nc1cnc(CC)nc1 1321668095 VERDOHYJEYFZJK-MRVPVSSYSA-N 246.270 0.115 30 20 BCED C#CCONC(=O)[C@H]1CCn2ccnc2C1 1325194532 RGJFRPWNQGPGMH-VIFPVBQESA-N 219.244 0.127 30 20 BCED C[C@@H](C#N)C(=O)N1CCC[C@H]1c1ncon1 1327640612 VOQZVHGDPCMVRO-YUMQZZPRSA-N 220.232 0.893 30 20 BCED CC[C@@H](C#N)C(=O)NC1(C#N)CCN(C)CC1 1329634847 BRVGZQTVKMSAGU-JTQLQIEISA-N 234.303 0.640 30 20 BCED C=CCNC(=O)Cn1cc(CNCC2CC2)nn1 1329693395 UZQCNYABEWZJNG-UHFFFAOYSA-N 249.318 0.080 30 20 BCED C=C(C)CN(C)C(=O)C(=O)N1CCCOCC1 1331101369 XVHGOCGGBZBXJZ-UHFFFAOYSA-N 240.303 0.270 30 20 BCED C#CCCN[C@H](CO)CNC(=O)[C@H]1CC1(C)C 1331698572 WWWKBGHSQJGECQ-WDEREUQCSA-N 238.331 0.123 30 20 BCED N#Cc1cc(=O)n(CC2CCNCC2)cn1 1332136355 NSUXVLCTIBUHEO-UHFFFAOYSA-N 218.260 0.115 30 20 BCED C=CCn1nnnc1N(CC)C[C@H]1CCCO1 1333659172 FSSBPSWXMXMVCH-SNVBAGLBSA-N 237.307 0.864 30 20 BCED C=C[C@H](CO)NC(=O)CCc1cnc[nH]1 1334575543 FDNDHLFMMFMCBK-MRVPVSSYSA-N 209.249 0.005 30 20 BCED CC(=O)c1cn(CC(=O)N(C)[C@H](C)CC#N)nn1 1337669754 DGLKKLFRUHDOJC-MRVPVSSYSA-N 249.274 0.241 30 20 BCED N#CCCC[C@@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1342246732 DLPJMUWGUAOZNT-LNFKQOIKSA-N 237.303 0.444 30 20 BCED C[C@H](C#N)CNC(=O)c1coc(C(N)=O)c1 1342465393 LRRQGCLBYSJGIX-ZCFIWIBFSA-N 221.216 0.268 30 20 BCED C#CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 1345525901 IKGLSPZCWCFQSF-WDEREUQCSA-N 200.241 0.935 30 20 BCED C=CCCCNC(=O)Cc1nnc(N)s1 1348588976 KMZINQGYVDBUMC-UHFFFAOYSA-N 226.305 0.745 30 20 BCED CC(C)[C@@H](C#N)NC(=O)c1cnn(CCO)c1 1349444155 KHRAPLYCJNPNKY-SNVBAGLBSA-N 236.275 0.153 30 20 BCED C=C[C@@](C)(O)c1cn([C@H](C)c2nnc(C)o2)nn1 1349745597 RTARMYPDAFZRSA-RDDDGLTNSA-N 249.274 0.972 30 20 BCED CC[C@@H](C#N)C(=O)NCC1(C#N)CCOCC1 1514977658 IZXTUEWRZZLRET-JTQLQIEISA-N 235.287 0.973 30 20 BCED Cc1cnn(C)c1C(=O)[C@@H](C#N)C(=O)NC(C)C 1515373149 WWHDOYZURVTZIA-SECBINFHSA-N 248.286 0.576 30 20 BCED CCN(CC(=O)OC)C(=O)c1ccc(C#N)n1C 1520491471 RHXCDCMJLFRHPV-UHFFFAOYSA-N 249.270 0.532 30 20 BCED N#C[C@@H]1CC[C@@H](N[C@H]2CCc3nnnn3CC2)C1 1560890943 URGGTKZZEKRDKF-OUAUKWLOSA-N 246.318 0.660 30 20 BCED C[C@@H](CNc1cnc(C#N)c(C#N)n1)C(=O)O 1573601930 QTFZMXLFJISOJP-LURJTMIESA-N 231.215 0.353 30 20 BCED N#CC1(CNC(=O)NCCN)CCCC1 1574241124 HDLAVOVSQWWFLA-UHFFFAOYSA-N 210.281 0.328 30 20 BCED Cn1nc(N)cc1C(=O)NCC1(C#N)CCC1 1579994433 SSBHINSZXYDYPA-UHFFFAOYSA-N 233.275 0.426 30 20 BCED N#C[C@H]1C[C@H]1C(=O)Nc1ccnn1C1CNC1 1580057479 WTZQSFYLQNMPJS-VXNVDRBHSA-N 231.259 0.126 30 20 BCED N#Cc1ncn(CCN[C@@H]2CCNC23CCC3)n1 1580084893 XKEVGYSDTOYBLG-SNVBAGLBSA-N 246.318 0.024 30 20 BCED N#Cc1nc(=NCc2cc(N)ccn2)cc[nH]1 1580084942 ZGVLQNSIOUOFEF-UHFFFAOYSA-N 226.243 0.359 30 20 BCED Cn1c(C(=O)Nc2cnn(CC#N)c2)cnc1O 1583623405 NGYDQMLTCMTKKE-UHFFFAOYSA-N 246.230 0.098 30 20 BCED C#CC[C@@H](NC(=O)[C@H](C)n1cccc1)C(=O)O 1588399072 QDEFBDOYFNHYKK-VHSXEESVSA-N 234.255 0.642 30 20 BCED C=C[C@](C)(O)C(=O)N[C@H]1CC[C@@H](CC(=O)O)C1 1588682369 MLBAEZXZEHZWOF-PTRXPTGYSA-N 241.287 0.683 30 20 BCED C=CC[C@@H](NCCc1cnccn1)C(=O)O 1588750341 WEXIBTCXKHZGRJ-SNVBAGLBSA-N 221.260 0.638 30 20 BCED C=CC[C@H](SCCc1nn[nH]n1)C(=O)O 1588759409 SXVGAEATCZDTSB-LURJTMIESA-N 228.277 0.505 30 20 BCED C=CCNC(=O)[C@H](C)OC(=O)C1(C(=O)O)CC1 1588839188 ONINEMJBKUYEMP-ZETCQYMHSA-N 241.243 0.085 30 20 BCED CON=CC(=O)NCCCCCC(=O)O 1594042302 JAZNEGAQODZCDK-UHFFFAOYSA-N 216.237 0.380 30 20 BCED Cn1cc(C#N)cc1C(=O)NC1(C(=O)O)CCC1 1600927298 AUHPNIFWXBYMIL-UHFFFAOYSA-N 247.254 0.634 30 20 BCED N#Cc1cccc(C(=O)NC[C@H]2C[C@H]2C(=O)O)n1 1601116798 OSEUNOZSBRCGJN-VXNVDRBHSA-N 245.238 0.404 30 20 BCED C#C[C@H](CCC)NC(=O)[C@@](C)(C#N)CC(=O)O 1602672593 OMFCODWTUXJRSC-BXKDBHETSA-N 236.271 0.909 30 20 BCED C#CCONC(=O)/C=C/c1ccc(C(=O)O)o1 1602730345 CGGHPZWNFHFXEG-GQCTYLIASA-N 235.195 0.672 30 20 BCED C=C[C@@H](COC)Nc1ccc(-c2nn[nH]n2)cn1 1602804115 RSMZVESWMGKQMP-VIFPVBQESA-N 246.274 0.875 30 20 BCED C[C@H](CNC(=O)c1cccc(C#N)n1)C(=O)O 1603190959 AXDGCAUSZKUAPT-SSDOTTSWSA-N 233.227 0.404 30 20 BCED N#CC[C@]1(O)CCN(c2cc(C(=O)O)ccn2)C1 1608182165 WAVOANFZJRVQMH-LBPRGKRZSA-N 247.254 0.635 30 20 BCED N#Cc1ccc(F)c(C(=O)Nc2nn[nH]n2)c1 1618459933 LWXHBLOEGGCBPK-UHFFFAOYSA-N 232.178 0.463 30 20 BCED C#CCCN[C@H](C)CCNC(=O)c1cocn1 1753003260 WOGBYKLFPDGOGS-SNVBAGLBSA-N 235.287 0.796 30 20 BCED C#CCNC[C@@H](C)NC(=O)CCCOCC 1754218811 OOFUNWRZEOKWDV-LLVKDONJSA-N 226.320 0.531 30 20 BCED CC#CCNC[C@@H](NC(=O)C1CC1)C1CC1 1754432565 NRTKNKGREDQZRR-GFCCVEGCSA-N 220.316 0.904 30 20 BCED CC[C@@H](NN=Cc1cnn(C)c1OC)C(=O)O 1776066868 IHNXQPNEFHGXQP-MRVPVSSYSA-N 240.263 0.215 30 20 BCED COC(=O)CNC(=O)COc1ccccc1C#N 4959070 AMBJIMNEBLTBAI-UHFFFAOYSA-N 248.238 0.226 30 20 BCED N#Cc1ncn(CC(=O)NC2(C#N)CCCC2)n1 14143721 WVJBVELLDLWDQB-UHFFFAOYSA-N 244.258 0.102 30 20 BCED Cc1nnc(NCC(=O)NC(C)C)c(C#N)c1C 29426969 JFYRSQNUEAOACM-UHFFFAOYSA-N 247.302 0.902 30 20 BCED CCN(CCS(=O)(=O)CC)C[C@@H](C)C#N 42449737 CGOYBROXBALLSV-JTQLQIEISA-N 232.349 0.903 30 20 BCED CNC(=O)[C@H](C)NC(=O)C1(C#N)CCCCC1 44386025 HWNJIVVFVQQGNX-VIFPVBQESA-N 237.303 0.711 30 20 BCED 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N#Cc1cnnc(N[C@@H]2CCN(CC3CC3)C2)c1 596118715 BKIVBAMQVRLCKP-GFCCVEGCSA-N 243.314 1.244 30 20 BCED C=C[C@H](CO)NC(=O)NCC1(C#N)CCC1 596633665 OIKGNEJFYULPBG-SECBINFHSA-N 223.276 0.526 30 20 BCED CCN(CC#N)C(=O)c1ccn(COC)n1 596918557 HEAKVHVGMCLWKQ-UHFFFAOYSA-N 222.248 0.473 30 20 BCED CCOC1(C(=O)N2CC(C#N)C2)CCOCC1 597699874 SUDTVGMKVAEVBT-UHFFFAOYSA-N 238.287 0.554 30 20 BCED Cc1n[nH]c(C)c1CCNC(=O)[C@@H](C)C#N 597737630 VPMDKRWIEVPKFD-ZETCQYMHSA-N 220.276 0.845 30 20 BCED C[C@@H](O)[C@H]1CCCN1C(=O)c1ccc(C#N)cn1 598238894 SJJGDGUMUHWZLO-BXKDBHETSA-N 245.282 0.939 30 20 BCED CCN(CC#N)S(=O)(=O)c1conc1C 601315072 DLVNFYLUHVTZMD-UHFFFAOYSA-N 229.261 0.517 30 20 BCED CC1(NC(=O)COc2ccc(C#N)cc2)COC1 601796278 KIRYEQZVVYAORF-UHFFFAOYSA-N 246.266 0.842 30 20 BCED N#CC1(CNC(=O)N2C[C@H]3COC[C@H]3C2)CCC1 602325686 DKJPDOQGHCUSPT-PHIMTYICSA-N 249.314 0.968 30 20 BCED C[C@@H]1C[C@H](C(=O)Nc2c[nH]nc2C#N)CO1 602360407 WBOGHWQLLVSXIR-RQJHMYQMSA-N 220.232 0.645 30 20 BCED COC(=O)C1(CNCc2cccc(C#N)n2)CC1 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O=C(COC(=O)C#CC1CC1)NCC1CCC1 838367527 MVQIUCLUNJUIMR-UHFFFAOYSA-N 235.283 0.859 30 20 BCED C#CCC[C@@H](C)OC(=O)[C@@H]1CCNC(=O)C1 839036687 GQCLLKQDXUPOER-NXEZZACHSA-N 223.272 0.858 30 20 BCED C#CCN(CC#CC)C(=O)N[C@@H]1CCNC1 841939627 RGTVTDONBVBMAE-LLVKDONJSA-N 219.288 0.016 30 20 BCED CON=CC(=O)N1CCN2CC(F)(F)C[C@H]2C1 843917866 ZBQRBUXVKXGODQ-QMMMGPOBSA-N 247.245 0.170 30 20 BCED CC#CC(=O)N(CCC)[C@@H]1CCN(C)C1 843986476 AVOBLNUCQPTEQE-LLVKDONJSA-N 208.305 0.952 30 20 BCED CC#CC[C@H](CO)NC(=O)[C@@H]1CCC=CO1 844113373 RICOGMMJPPUKQJ-MNOVXSKESA-N 223.272 0.570 30 20 BCED C=C[C@@H](C)ONC(=O)NC[C@@H]1CCCO1 844281712 PDAAQTVSMVZMSF-BDAKNGLRSA-N 214.265 0.971 30 20 BCED CC[C@H](C#N)NC(=O)Cc1nonc1C 845367801 OZJORDCEIDGCQP-SSDOTTSWSA-N 208.221 0.339 30 20 BCED C=C(C)CONC(=O)NC[C@@]1(C)CCC(=O)N1 845611264 LADGMMMBTBCCBD-LLVKDONJSA-N 241.291 0.462 30 20 BCED CCONC(=O)CNc1ccc(C#N)nc1 845713021 ASKWTSBLRHVRES-UHFFFAOYSA-N 220.232 0.433 30 20 BCED CC[C@H](C#N)C(=O)NCCC1(C)OCCO1 845943064 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BCED C=C[C@](C)(O)CC(=O)N1CCN(OC)CC1 854856572 LEYFYVGUBVFWLD-NSHDSACASA-N 228.292 0.019 30 20 BCED C[C@H](C#N)N(C(=O)C1=COCCO1)C1CC1 855584352 QHBQYXRVWIYCFN-MRVPVSSYSA-N 222.244 0.778 30 20 BCED O=C(C#CC1CC1)Nc1ccnc(OCCO)c1 856284771 GAMQPYBSGNSYOH-UHFFFAOYSA-N 246.266 0.805 30 20 BCED C#Cc1ccc(C(=O)NO[C@@H](CO)C(C)C)cn1 857287337 OHIKQFVOVGSYOR-LBPRGKRZSA-N 248.282 0.741 30 20 BCED C#CCCOC(=O)NCC(=O)N1CCCCC1 858900986 FTDVDOADTAUKOE-UHFFFAOYSA-N 238.287 0.748 30 20 BCED C#CC[C@H](CCOC)NC(=O)NOC 859023057 SRFYVCUIVDBVJC-MRVPVSSYSA-N 200.238 0.275 30 20 BCED C#CCCOC(=O)N1CCN2CCOC[C@H]2C1 859106824 QCSJXTZPUUURMQ-LLVKDONJSA-N 238.287 0.163 30 20 BCED C#CCCOC(=O)NC[C@@]1(OC)CCOC1 859108954 MBWYSIZEXWNFAU-NSHDSACASA-N 227.260 0.541 30 20 BCED C#CCCOC(=O)N1C[C@H](OC)[C@H](OC)C1 859132447 VFJVRIMAJNKUKB-AOOOYVTPSA-N 227.260 0.492 30 20 BCED C#CCN(CC#N)CC(=O)NCC(C)(C)C 859293401 XQNWWPHGCAVTES-UHFFFAOYSA-N 221.304 0.607 30 20 BCED CCC(C#N)(CC)C(=O)OCC(=O)NC 860195133 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C#CCN1CCC[C@@H](NC(=O)NCCC)C1 884022414 HDZVTKGUIKDGGT-LLVKDONJSA-N 223.320 0.793 30 20 BCED C#CCN1CCC[C@H](NS(=O)(=O)CCC)C1 885511241 DDCKKCWYZIKOFW-NSHDSACASA-N 244.360 0.413 30 20 BCED CC#CCN1CCN(CC#CC)[C@@H](CO)C1 886371271 IETVBCJACVDGPA-CYBMUJFWSA-N 220.316 0.012 30 20 BCED C#CC1(O)CN(C(=O)c2cccn2C(C)C)C1 890521933 ANTNUGGDMGEOGK-UHFFFAOYSA-N 232.283 0.889 30 20 BCED C#CC1(O)CN(C(=O)[C@@](C)(C#N)CC)C1 890525804 KKDNZCXIUCBWKD-SNVBAGLBSA-N 206.245 0.133 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2CN3)C1 892196520 MEXPCCVWBAYQDP-VLEAKVRGSA-N 234.303 0.434 30 20 BCED C#CCSCC(=O)Nc1cncc(OC)n1 892290352 QODQCWPPZCIYKB-UHFFFAOYSA-N 237.284 0.790 30 20 BCED C#CCSCC(=O)O[C@H]1CCC(=O)NC1 893021833 BYSDGOMYOJGYEC-QMMMGPOBSA-N 227.285 0.175 30 20 BCED C#CC1(O)CN(C(=O)N[C@H]2CCCSC2)C1 893428242 RXCHOUYILRBLSC-VIFPVBQESA-N 240.328 0.272 30 20 BCED C[C@H](N[C@H]1CCCN(O)C1=O)[C@H]1CCCOC1 895161406 RGVYYXICXCCYBN-DCAQKATOSA-N 242.319 0.771 30 20 BCED CCOC[C@@H](C)N[C@@H]1CCCN(O)C1=O 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20 BCED C#CCNC(=O)CCN(C)Cc1ccccn1 295142967 LGFCRVDQFANUAJ-UHFFFAOYSA-N 231.299 0.653 30 20 BCED C=CCNC(=O)NC(=O)[C@@H](C)SC[C@@H](C)O 298266326 OWZBKWYYJOKBIY-HTQZYQBOSA-N 246.332 0.501 30 20 BCED C=CCN(C(=O)CCC)[C@@H]1CCS(=O)(=O)C1 299137052 GLIXUQYBIMAOER-SNVBAGLBSA-N 245.344 0.988 30 20 BCED C#CCOc1ccc([C@H]2NC(=O)CN2C)cc1 299251321 BKGVQYDFUJFSMC-ZDUSSCGKSA-N 230.267 0.759 30 20 BCED CCN(CC#N)CC(=O)N[C@](C)(C#N)C(C)C 299324478 DFZDYPCWAYTFMT-GFCCVEGCSA-N 236.319 0.886 30 20 BCED N#Cc1ccc(NCCCO[C@H]2CCOC2)nn1 301952303 JIWKYOSZKKLHFQ-NSHDSACASA-N 248.286 0.956 30 20 BCED CN/C(N)=N/CCCOc1cccc(OC)c1 304262535 GCEVGMZMUJXBSX-UHFFFAOYSA-N 237.303 0.998 30 20 BCED C#Cc1cccc(NC(=O)CN(C)C(=O)CO)c1 305702346 GSDYYICJNXTGHH-UHFFFAOYSA-N 246.266 0.057 30 20 BCED C=C[C@@H](CO)Nc1cn[nH]c(=O)c1Cl 306373017 RQZIBFLMIOONJA-YFKPBYRVSA-N 215.640 0.382 30 20 BCED C[C@@H](Sc1ccc(C#N)nn1)C(=O)O 307643731 PVUNZPBSQMDGPJ-RXMQYKEDSA-N 209.230 0.913 30 20 BCED CNC(=S)NN=CC[C@H]1CCOC1 308381209 UTEZGMNNJVVUBS-ZETCQYMHSA-N 201.295 0.493 30 20 BCED C[C@H](C#N)OCCN1CCC[C@@H](CO)C1 308839037 XVOXFUNWJHNONJ-GHMZBOCLSA-N 212.293 0.619 30 20 BCED C[C@H](N)CN(C)C(=O)c1cccc(C#N)c1 309365027 AGEXDQGGEHZITG-VIFPVBQESA-N 217.272 0.977 30 20 BCED COCCS(=O)(=O)NCC(C)(C)CC#N 316236895 GHCRECVUKFSOOA-UHFFFAOYSA-N 234.321 0.492 30 20 BCED N#Cc1cc(=N[C@H]2CC[S@](=O)C2)cc[nH]1 328681920 VHMSEUAFOQFILS-VFZGTOFNSA-N 221.285 0.308 30 20 BCED CN1CCOC[C@@H]1/C(O)=N/CC1=CCCOC1 329314212 DLABUTWYBKADAY-LLVKDONJSA-N 240.303 0.620 30 20 BCED N#C[C@@H]1CC[C@@H](N2CCN3C(O)=NC[C@H]3C2)C1 330263721 WXVHGBFSUXBUBN-MXWKQRLJSA-N 234.303 0.592 30 20 BCED COC(=O)C(C)(C)/N=C(/O)c1cnnn1C 330704299 QYAZYRWXUZOZHC-UHFFFAOYSA-N 226.236 0.071 30 20 BCED C[C@H](C#N)NC(=O)Cc1ccc2c(c1)NC(=O)C2 330836070 KLMBBSMULSCCDV-MRVPVSSYSA-N 243.266 0.752 30 20 BCED Cc1cnn(C[C@@H]2CN(C(=O)CC#N)CCO2)c1 331057986 MDUQXCLLMMPWKS-NSHDSACASA-N 248.286 0.333 30 20 BCED C[C@H](O)CCN(C)/C(O)=N/Cc1nccn1C 331148053 MWKYNWVHQDDMIR-VIFPVBQESA-N 240.307 0.537 30 20 BCED CO[C@H](C)C/N=C(/O)NC[C@H]1CCCN1C 331287445 NAEOMHGUUGXKDV-NXEZZACHSA-N 229.324 0.619 30 20 BCED N#C[C@H]1CC[C@@H](NC(=O)CC2(CN)CC2)C1 331980201 XNMYDKFXFVJXBW-VHSXEESVSA-N 221.304 0.924 30 20 BCED CCC[C@@H](C(=O)N1CC(O)(CC#N)C1)N(C)C 332076933 XHGBTZBGPHHSNI-JTQLQIEISA-N 239.319 0.204 30 20 BCED CN(CC#N)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 332410006 NHVPBHXTZBFXIH-WDEREUQCSA-N 248.286 0.480 30 20 BCED CCc1nnc(Cn2cc(C#N)cn2)o1 332739639 YLQRFIOKDMRCQM-UHFFFAOYSA-N 203.205 0.748 30 20 BCED CN(C(=O)c1cc[nH]n1)C1(C#N)CCC1 334202179 PLWWDQNLWPBTMR-UHFFFAOYSA-N 204.233 0.928 30 20 BCED CN1CC[C@H](C(=O)N2CC(C)(C#N)C2)CC1=O 336412295 RFPKENSJTQLZBJ-VIFPVBQESA-N 235.287 0.227 30 20 BCED CC#CCCNS(=O)(=O)N(C)CC 336667629 ZMSRTFIWZJXLEJ-UHFFFAOYSA-N 204.295 0.186 30 20 BCED C=CCN(CCOC)C[C@H](O)CN(C)C1CC1 336713964 OTAXCZLGSITWEF-CYBMUJFWSA-N 242.363 0.576 30 20 BCED Cc1c(C#N)cccc1C(=O)N1CCNC(=O)C1 338079086 KVIBHVLHMNJJJK-UHFFFAOYSA-N 243.266 0.439 30 20 BCED C=CCOCCN(C)CC1(O)CCOCC1 339112561 XOOVNLRXTNZRKP-UHFFFAOYSA-N 229.320 0.662 30 20 BCED C=CCOCC(=O)N[C@@H]1CCO[C@H]1C1CC1 340665168 FIQCFNBAZHVIHF-PWSUYJOCSA-N 225.288 0.873 30 20 BCED N#CCCNS(=O)(=O)CCC(F)(F)F 341049871 WCPZXKIBDHONMV-UHFFFAOYSA-N 230.211 0.772 30 20 BCED C=CC[C@@H](CO)CNC(=O)c1ccnn1C 342190623 CMOCFIMTVLDIPH-SECBINFHSA-N 223.276 0.335 30 20 BCED C=CCCC[C@@H](C)NC(=O)CS(=O)(=O)NC 343522278 IJUKOMIYPYZHRJ-SECBINFHSA-N 248.348 0.397 30 20 BCED C[C@H](C#N)C(=O)N(CCC#N)CCCN(C)C 343680869 QVCKAQFCYFBWBF-LLVKDONJSA-N 236.319 0.840 30 20 BCED N#Cc1c[nH]c(C(=O)N[C@H](CO)[C@H]2CCCO2)c1 344880271 WGPLKWCRHYZKCN-GHMZBOCLSA-N 249.270 0.156 30 20 BCED C[C@@H](Nc1cnn(C)c1)C(=O)NC1(C#N)CCC1 345039236 WSDIRHCSSHNYOB-SECBINFHSA-N 247.302 0.783 30 20 BCED CCC[C@@H](NC(N)=O)C(=O)NCCCCC#N 346440907 WZBLGJWHUFSAEA-SECBINFHSA-N 240.307 0.633 30 20 BCED Cc1ccc(NCCCNC(=O)[C@@H](C)C#N)nc1 347096282 XRWUXTRIQSNAJQ-NSHDSACASA-N 246.314 1.468 30 20 BCED C=CCOCCCN(C)[C@H]1CCS(=O)(=O)C1 347967643 PXMPPNNOCBVKDX-NSHDSACASA-N 247.360 0.698 30 20 BCED C=CCOC[C@@H]1NC(=O)N(CCC#N)C1=O 348567294 XCUGHAJJGVIBCI-QMMMGPOBSA-N 223.232 0.023 30 20 BCED C=C[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 349800568 NBEONSNORYQSBC-JTQLQIEISA-N 241.312 0.820 30 20 BCED CCN(C[C@@H](C)C#N)C(=O)COCC(=O)OC 352020764 KEMLRRZJMJSVPD-VIFPVBQESA-N 242.275 0.184 30 20 BCED CN(Cc1ccnn1C)C(=O)c1ccc(C#N)[nH]1 352542407 NPSSIUYTFWPGCA-UHFFFAOYSA-N 243.270 0.892 30 20 BCED N#Cc1cc(C(=O)NC[C@H]2CC[C@H](CO)O2)c[nH]1 356505888 NEZCZYFSZSUPAB-GHMZBOCLSA-N 249.270 0.156 30 20 BCED C=C[C@H](CO)NC(=O)COCc1cccnc1 356863592 RHPVOCCSSXEBGJ-LLVKDONJSA-N 236.271 0.261 30 20 BCED C=CCN(CCC#N)C(=O)C1(NC(N)=O)CC1 359434118 GVWOVWNBGVSLKD-UHFFFAOYSA-N 236.275 0.116 30 20 BCED C[C@@H]1OCC[C@@H]1N(CCO)c1ccc(C#N)cn1 360258815 QXLSSNXQGSPSAN-JQWIXIFHSA-N 247.298 0.929 30 20 BCED C[C@@H](C[S@@](C)=O)N(C)C(=O)CCCC#N 360783304 QWLXIJZVPIGMQX-BJOHPYRUSA-N 230.333 0.906 30 20 BCED C[C@@](O)(C(=O)N1CCO[C@@H](C#N)C1)C1CCC1 362785952 QCHNCMYTFDKWJD-JQWIXIFHSA-N 238.287 0.288 30 20 BCED Cc1cc(CNCc2nnn(C)n2)ccc1C#N 362964321 TUUBNOGXFHSUQL-UHFFFAOYSA-N 242.286 0.680 30 20 BCED CNC(=S)NN=C[C@H]1CCSC1 379329071 SIZQSQJJRFZMMK-ZCFIWIBFSA-N 203.336 0.819 30 20 BCED CC(C)(C)NCC(=O)N1CCSC[C@H]1C#N 381118611 HYTSQHKUDYITJG-SECBINFHSA-N 241.360 0.842 30 20 BCED CC(=O)N[C@@H]1CCN(c2ncncc2C#N)C1 383881181 RQJGGTJBEFWFDM-SNVBAGLBSA-N 231.259 0.063 30 20 BCED CC[C@H](CC#N)NCC(=O)NCC1CC1 393066978 WUFHWUSWTJDNDE-SNVBAGLBSA-N 209.293 0.794 30 20 BCED CC(C)(C)CC(=O)N[C@@H]1CNC[C@H]1C#N 393737167 AMSQXZOXCMQJLM-RKDXNWHRSA-N 209.293 0.650 30 20 BCED C=CCNC(=O)CNc1cccnc1[N+](=O)[O-] 393830819 LTNMSUWWQMLBDT-UHFFFAOYSA-N 236.231 0.704 30 20 BCED CC[C@H](CC#N)NC(=O)[C@@H]1CC[C@H]1C(=O)O 397120870 ANJQLTFHVXYIBM-IWSPIJDZSA-N 224.260 0.906 30 20 BCED CN(c1cncc(C#N)n1)[C@H]1CCOC1 401412014 WAEAHRDLVMBYHY-VIFPVBQESA-N 204.233 0.573 30 20 BCED Cc1cc(C(=O)N2CC(O)(CC#N)C2)cc(O)n1 408161083 ZDZDNLFDJXXRCD-UHFFFAOYSA-N 247.254 0.196 30 20 BCED N#CCCS(=O)(=O)N1CCOCC12CCC2 408460443 OGBGJEUMRNVLLF-UHFFFAOYSA-N 244.316 0.485 30 20 BCED C=CCC[C@@H](O)CN1CC[C@@](C)(C(=O)NC)C1 430248498 JSPOAHKBLNGBIJ-DGCLKSJQSA-N 240.347 0.772 30 20 BCED Cc1oc(C#N)cc1C(=O)NCCC(N)=O 435446295 AZRJABKQIWXHSW-UHFFFAOYSA-N 221.216 0.065 30 20 BCED N#C[C@@H]1CC[C@H](NCCCN2CCOCC2)C1 442630941 RWNOLEXKSPTKGY-OLZOCXBDSA-N 237.347 0.991 30 20 BCED C=C(CC)CNS(=O)(=O)C[C@@H]1CCOC1 452040832 LAXLJYSZPWUUCP-SNVBAGLBSA-N 233.333 0.909 30 20 BCED C=CC[C@H](CO)NC(=O)[C@@H]1CN(C)C[C@@H]1C 487122069 XWSKXFBBNSFDOP-HBNTYKKESA-N 226.320 0.237 30 20 BCED C#CCNC(=O)NC[C@@H]1CCCN(CC)C1 490840228 MYQIPJPWRWOZIV-NSHDSACASA-N 223.320 0.651 30 20 BCED C#CCN1CCC(C(=O)NC(C)(C)C#N)CC1 490933242 DEKRAKOXHIEBSI-UHFFFAOYSA-N 233.315 0.750 30 20 BCED C#CCNC(=O)N[C@H](C)[C@H]1CCCOC1 490934535 JCOGWONHUOYIRW-ZJUUUORDSA-N 210.277 0.734 30 20 BCED C#CCN1C[C@H](C(=O)OCC)C2(COC2)C1 491255148 WESBIAKBVYTQBG-SNVBAGLBSA-N 223.272 0.131 30 20 BCED C#C[C@H](C)N(C)C(=O)c1ccc(C(N)=O)o1 491753713 PHSVNPIVYPGYGH-ZETCQYMHSA-N 220.228 0.472 30 20 BCED C#C[C@H](CCC)NC(=O)NC1CCNCC1 491808487 VUPUBVDZTYHXPM-SNVBAGLBSA-N 223.320 0.840 30 20 BCED COC1CCN(C(=O)NC[C@H](C)C#N)CC1 527314786 YLESUQVNOLABJL-SECBINFHSA-N 225.292 0.966 30 20 BCED C=CCCCC(=O)NC[C@](C)(O)COC 531357572 CWVIKVNDUJNUKU-NSHDSACASA-N 215.293 0.856 30 20 BCED C[C@H](C#N)CN(C)[C@@H]1CCCN(C)C1=O 537609848 WBJMLYNUQIZAOO-NXEZZACHSA-N 209.293 0.699 30 20 BCED CCc1nc(COc2cnc(C#N)nc2)no1 548283833 AFYBPRRMAJBJKI-UHFFFAOYSA-N 231.215 0.873 30 20 BCED CC(C)(C#N)NC(=O)CCn1ccnn1 548930918 VVUNMDFVGWQIJA-UHFFFAOYSA-N 207.237 0.087 30 20 BCED CC(C)(C#N)NC(=O)C[C@H]1CCCC(=O)N1 554735867 PSONVJVPJAFEER-MRVPVSSYSA-N 223.276 0.464 30 20 BCED CO[C@@H]1COCC[C@H]1CN=c1cc[nH]c(C#N)n1 563423358 FJCVFFCHLDQFAY-VHSXEESVSA-N 248.286 0.234 30 20 BCED Cc1cc(C#N)cnc1C(=O)N(C)CCO 566691829 OUHRZELWZGTMDM-UHFFFAOYSA-N 219.244 0.326 30 20 BCED CN1CC[C@@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1 575372868 ZSBRKLIYSKWVNF-MNOVXSKESA-N 243.314 0.879 30 20 BCED CCNC(=O)[C@H](C)NC(=O)NCC1(C#N)CC1 577811226 RVWXBJADIDWLSG-QMMMGPOBSA-N 238.291 0.114 30 20 BCED C[C@H](O)CN(Cc1ccc(C#N)cn1)[C@H](C)CO 581455300 CZBXHKWGQCENJO-MNOVXSKESA-N 249.314 0.517 30 20 BCED C[C@@H](C#N)CNC(=O)N(C)[C@@H]1CCC[C@H]1O 588650858 ZGPBQDGIDCQIFQ-IVZWLZJFSA-N 225.292 0.701 30 20 BCED COC[C@@H](C)NC(=O)N1CC[C@@](O)(CC#N)C1 591894916 WTVHBQTVYLVCEL-KOLCDFICSA-N 241.291 0.081 30 20 BCED CC[C@H](C#N)C(=O)N(C)[C@H]1CCN(C)C1=O 593481193 YEDWTDORQNANNI-BDAKNGLRSA-N 223.276 0.225 30 20 BCED CC[C@@H](C#N)N(C)C(=O)[C@H](NC(C)=O)C(C)C 594098672 XSYMRCDMTAJJBL-WDEREUQCSA-N 239.319 0.908 30 20 BCED CC(C)(C#N)CNC(=O)[C@@H]1CCCS1(=O)=O 594341397 KSCQLJQWMWTDEC-QMMMGPOBSA-N 244.316 0.230 30 20 BCED C=C[C@@H](NCC[C@H](C)N(C)C)C(=O)OC 594709114 CCZQLTADDJMNIP-VHSXEESVSA-N 214.309 0.644 30 20 BCED CO[C@@H](C)CNC(=O)N1CC[C@](F)(C#N)C1 595757977 DOSSGAGIYNVGGA-WPRPVWTQSA-N 229.255 0.668 30 20 BCED CCN(CC(=O)Nc1cc(C)nn1C)[C@H](C)C#N 595813572 VQCOIHNULZAGPC-SNVBAGLBSA-N 249.318 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VAWGVNDXSLSIBR-UHFFFAOYSA-N 224.304 0.190 30 20 BCED C=CCN(C(=O)c1cn(C)c(=O)nc1O)C1CC1 271351049 DWECLWLGSCUFGJ-UHFFFAOYSA-N 249.270 0.277 30 20 BCED C=CCNC(=O)NC[C@@H](COC)OC 272677883 YDKQOEDYRWBXCU-QMMMGPOBSA-N 202.254 0.133 30 20 BCED C[C@H](CO)Nc1nc2ccccn2c1C#N 272889161 JFPNMYXQXBKCHV-MRVPVSSYSA-N 216.244 0.999 30 20 BCED C#CCN(C(=O)NCCNC(=O)C1CC1)C1CC1 274075008 GBGPAZQCQLUSDW-UHFFFAOYSA-N 249.314 0.320 30 20 BCED C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC1 274365603 UBBZGLCSGMGDTR-NXEZZACHSA-N 224.304 0.984 30 20 BCED CC1CCN(C(=O)C(=O)N(C)CC#N)CC1 274491220 ODKNEVUUFCFOPP-UHFFFAOYSA-N 223.276 0.227 30 20 BCED C=CCCCCNC(=O)NCCS(C)(=O)=O 274530034 DFOJYZFNFWQCPF-UHFFFAOYSA-N 248.348 0.687 30 20 BCED C=C(C)CNC(=O)NCCCS(C)(=O)=O 275062619 ZWSQLSRIFWQQKV-UHFFFAOYSA-N 234.321 0.296 30 20 BCED C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)C(=O)OC 275752534 WZDYBJPBVWDQHZ-CABZTGNLSA-N 243.303 0.893 30 20 BCED C=CCCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O 276350754 HNNLCUSJVAEKLU-QMMMGPOBSA-N 239.275 0.009 30 20 BCED CC#CCNC(=O)[C@H]1CC[C@H]1C(=O)OC 285913654 WDJAPKDSFMPIGK-DTWKUNHWSA-N 209.245 0.325 30 20 BCED CC#CCNC(=O)[C@H]1CC[C@@H]1C(=O)OC 285913658 WDJAPKDSFMPIGK-IUCAKERBSA-N 209.245 0.325 30 20 BCED CCN1CCN(C(=O)[C@](C)(C#N)CC)CC1=O 286204538 WKTJUEKNNHVJJA-LBPRGKRZSA-N 237.303 0.617 30 20 BCED C[C@@H](CN(C)C)NC(=O)c1ccc(C#N)[nH]1 286868018 CVDYYAFSRBKQCD-QMMMGPOBSA-N 220.276 0.566 30 20 BCED C=CC[C@H](CO)NC(=O)NOCCCOC 287791539 BIZZVHDCZWTEIN-SECBINFHSA-N 232.280 0.191 30 20 BCED C=CCNC(=O)[C@H](C)N(C)CCOCCOC 288595341 DQGSBQSSDACNCL-NSHDSACASA-N 244.335 0.272 30 20 BCED C=C[C@H](CO)NS(=O)(=O)c1cc(C)oc1C 290074944 CTGXPAFYPFNADV-SECBINFHSA-N 245.300 0.722 30 20 BCED C=C[C@@H](CO)NC(=O)NC[C@@H]1CCCSC1 291519600 JLBNQFCYFYNPHX-UWVGGRQHSA-N 244.360 0.976 30 20 BCED C#CCN(C)C(=O)NC[C@@H]1CCOC[C@H]1C 292248687 OPBPWENXECERNM-MNOVXSKESA-N 224.304 0.934 30 20 BCED C=C[C@H](CO)NC(=O)[C@](C)(O)CCC 292607163 IGDZTJDILPERQR-PSASIEDQSA-N 201.266 0.201 30 20 BCED CC#CCN(C)C(=O)[C@H](O)c1cccnc1 294049487 AAMSPRPCPQDETP-LLVKDONJSA-N 218.256 0.597 30 20 BCED CC#CCN(C)C(=O)[C@H]1CCN(C(=O)CC)C1 294454400 HLEOUGWZXYHSEX-NSHDSACASA-N 236.315 0.727 30 20 BCED C#CCO[C@@H](C)C(=O)N(CCO)C1CCC1 295673453 BMXQUEDHHYOUMF-JTQLQIEISA-N 225.288 0.398 30 20 BCED C#Cc1ccc(CN2CC(O)(COC)C2)cc1 297387572 BAJRAMBQVIPEKK-UHFFFAOYSA-N 231.295 0.861 30 20 BCED CC1(C)[C@H](O)C[C@H]1Nc1ccc(C#N)nn1 302474271 WLKRCZRMUPBNAC-RKDXNWHRSA-N 218.260 0.920 30 20 BCED CCCN(CC#N)C[C@@H](O)CN1CCCC1=O 304247184 OSHCTENVCXJMQY-LLVKDONJSA-N 239.319 0.205 30 20 BCED Cc1cc(C#N)cc(NC(=O)COCC(=O)O)c1 308091771 NSUSOKNIDSPTSL-UHFFFAOYSA-N 248.238 0.906 30 20 BCED CN1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)CC1=O 309969495 OSCKFOGLOWSARD-HBNTYKKESA-N 221.304 0.889 30 20 BCED N#Cc1nccc(N2CCC(C(N)=O)CC2)n1 310341650 DYYGNFMRRGPIIT-UHFFFAOYSA-N 231.259 0.050 30 20 BCED C=C[C@H](NC1C[C@@H]2CC[C@H](C1)N2C)C(=O)OC 322392975 QZWYZJQPFPXPQV-YATPEIPISA-N 238.331 0.929 30 20 BCED C#CCN(C)CCCNC(=O)[C@@H]1CO[C@H](C)C1 328184062 OCYPFLXFGPOEBX-NEPJUHHUSA-N 238.331 0.483 30 20 BCED Cc1nc(CC/N=C(/O)[C@@H]2CCCO2)n[nH]1 328989283 RVWYAEYQFPVEFK-QMMMGPOBSA-N 224.264 0.791 30 20 BCED CCn1cnnc1N=C(O)[C@@H]1COCCN1C 329107000 FDZFSNHRAVQQNY-QMMMGPOBSA-N 239.279 0.217 30 20 BCED CO[C@@]1(/C(O)=N/[C@H]2CCCOC2)CCOC1 329482377 WDVWGQPVHVAYJF-ONGXEEELSA-N 229.276 0.927 30 20 BCED C[C@@H]1C[C@H]1/N=C(/O)CN1CCOCC1=O 329878104 KGNTZLKQDXRYRV-HTQZYQBOSA-N 212.249 0.210 30 20 BCED CN1CCO[C@H](/C(O)=N/C[C@@H]2CCCC2=O)C1 329962073 SNAMNKBCIPTFRJ-ONGXEEELSA-N 240.303 0.643 30 20 BCED CNC(=O)[C@@H]1CCC[C@@H]1NCCCC#N 330363377 AIXSCTTZEYWSKL-ZJUUUORDSA-N 209.293 0.794 30 20 BCED Cn1ncc2c1C[C@H](C(=O)NCCCC#N)CC2 330406354 WOBSFFJTRGWMIT-SNVBAGLBSA-N 246.314 0.945 30 20 BCED CC(C)OCC/N=C(/O)N[C@H]1CC(=O)N(C)C1 330816106 CCBVUYVOKWPDQG-VIFPVBQESA-N 243.307 0.146 30 20 BCED CC(C)(C)n1cc(/C(O)=N/CC#N)nn1 331091723 WXOZOHYMKAUSQY-UHFFFAOYSA-N 207.237 0.861 30 20 BCED COCCN1CC[C@@H](N/C(O)=N/CCC#N)C1 331152597 OIVOCRLBILVRKL-SNVBAGLBSA-N 240.307 0.124 30 20 BCED Cc1nccc(N/C(O)=N/C[C@@H](C)CO)n1 331190828 WLUORSZTNDMMAC-SSDOTTSWSA-N 224.264 0.739 30 20 BCED Cc1cc(N/C(O)=N/C[C@H](C)N(C)C)nn1C 331266440 QJLNWQZHOCMWMA-VIFPVBQESA-N 239.323 1.005 30 20 BCED CC(=O)NCC(=O)Nc1n[nH]c(C2CC2)c1C#N 331790747 SHSGNKASCISPCC-UHFFFAOYSA-N 247.258 0.233 30 20 BCED CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC(=O)N1C 334346333 QAGLZSWFVNNTQX-VIFPVBQESA-N 237.303 0.615 30 20 BCED C[C@H]1CN(C)CCN1C(=O)c1ccc(C#N)[nH]1 334976000 ZXYYGWBETPUVFU-VIFPVBQESA-N 232.287 0.662 30 20 BCED CC#CCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 335314925 CZYQQMJTWSPLRS-CYBMUJFWSA-N 249.314 0.321 30 20 BCED Cc1nn([C@@H]2CCN(C)C2=O)cc1C#N 335687551 GKQBACGUOBYNTQ-SECBINFHSA-N 204.233 0.466 30 20 BCED CC[C@@H](O)CCCNc1nccnc1C#N 336740316 QAXFNTKKADPPRB-SECBINFHSA-N 220.276 1.311 30 20 BCED C=CCOCCN1CCC[C@]2(CNC(=O)C2)C1 339040465 NWEKSDOKLLPLME-ZDUSSCGKSA-N 238.331 0.791 30 20 BCED CN(CCC(N)=O)c1ccc([N+](=O)[O-])c(C#N)c1 343944712 LAZLBKFFMCREDF-UHFFFAOYSA-N 248.242 0.778 30 20 BCED C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[C@H](O)C1 344225973 ZIXKRSKAEVOSOZ-BBBLOLIVSA-N 210.277 0.908 30 20 BCED C[C@H]1[C@@H](NC(=O)[C@H](C)C#N)CCCN1C 345318917 LYPMHTTWLSTUMF-UTLUCORTSA-N 209.293 0.745 30 20 BCED C=CCOCCCN1CCO[C@@H](C(=O)OC)C1 348045336 IFHUSWNCUPJOPS-LLVKDONJSA-N 243.303 0.453 30 20 BCED N#C[C@@H]1CCC[C@H]1N1C(=O)N[C@]2(CCOC2)C1=O 349168920 PXUZFPGCXKKHTE-SBMIAAHKSA-N 249.270 0.390 30 20 BCED C=C[C@H](CO)NC(=O)Nc1cccnc1 349933620 LQYOTBKBTYANQG-MRVPVSSYSA-N 207.233 0.750 30 20 BCED CC#CCCNC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 349972925 URHSXVVUWLJHLR-UHFFFAOYSA-N 248.242 0.947 30 20 BCED CO[C@@H](C)CN(C)S(=O)(=O)CCCC#N 352394437 OGXXXDYEUXKCPA-VIFPVBQESA-N 234.321 0.587 30 20 BCED CC(=O)c1c[nH]c(C(=O)NCCC#N)c1 353996438 DGGAZTRHRFCBEO-UHFFFAOYSA-N 205.217 0.861 30 20 BCED C=C[C@@](C)(O)CC(=O)NCC[C@H](O)C(C)C 354921886 ZUECSHAWWSOFEW-CMPLNLGQSA-N 229.320 0.837 30 20 BCED C=CCN(CCOC)C(=O)C[C@@](C)(O)C=C 355976227 AEYZKBYWMHEJAD-LBPRGKRZSA-N 227.304 0.975 30 20 BCED C=CCOCCCn1cnnc1[S@](C)=O 356057219 JBQAQJHLHRETSI-HNNXBMFYSA-N 229.305 0.608 30 20 BCED C=C[C@H](C)NC(=O)c1cnc2c(c1)NC(=O)CO2 356155432 BUDAEKPXWUHPRO-ZETCQYMHSA-N 247.254 0.717 30 20 BCED N#CCC(=O)NCCCCN1CCC[C@@H]1CO 357118098 NUNKZFOGMJLHHZ-LLVKDONJSA-N 239.319 0.253 30 20 BCED N#Cc1c[nH]c(-c2nc(Cn3cncn3)no2)c1 359094701 SMCBKGVWXVNNIL-UHFFFAOYSA-N 241.214 0.576 30 20 BCED C[C@@H](CC#N)NC(=O)c1cc([N+](=O)[O-])cnc1N 359791707 KEKIMJVTTOCPCD-LURJTMIESA-N 249.230 0.604 30 20 BCED C#CCCCS(=O)(=O)N1CCCO[C@H](C)C1 376263496 CKBFYWUKCGTILA-LLVKDONJSA-N 245.344 0.840 30 20 BCED C#CCOCCN[C@H](C)c1nc(C)no1 380361140 YMZDJBBINKDSAG-MRVPVSSYSA-N 209.249 0.678 30 20 BCED C=C(C)CCNC(=O)N[C@@H](COC)C(=O)O 386706637 OIMXHKMLKHGEQF-QMMMGPOBSA-N 230.264 0.351 30 20 BCED C=C[C@@H](NC[C@H](OC)C1CC1)C(=O)OC 393430773 IKNVKZGRSRQCQU-ZJUUUORDSA-N 213.277 0.729 30 20 BCED N#CC[C@@H]1CCCN(C[C@@H]2CCC(=O)N2)C1 397592758 JGIYDFWYBTZVPS-QWRGUYRKSA-N 221.304 0.891 30 20 BCED CC[C@H](C#N)C(=O)N[C@H](C)c1ncon1 398332932 AHSACYRUPWGFPN-RNFRBKRXSA-N 208.221 0.797 30 20 BCED CC1(C)CN(c2ccncc2C#N)C[C@@H](CO)O1 398975670 CPXWUWSQFRSQTE-NSHDSACASA-N 247.298 0.929 30 20 BCED Cc1noc(C)c1C(=O)N1CC(O)(CC#N)C1 408299070 RMKTWCYPGHXAGH-UHFFFAOYSA-N 235.243 0.392 30 20 BCED CC[C@@H]1[C@@H](C)CCN1C(=O)Cn1cnc(C#N)n1 408329599 NQRIAFXNWLYRDP-VHSXEESVSA-N 247.302 0.797 30 20 BCED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)[C@H](C)O 420097890 WNZAHOXXARDTLJ-MMWGEVLESA-N 227.304 0.853 30 20 BCED C=CCN1CC[C@@H](N(C)[C@H](CN)C2CC2)C1=O 420317861 OYNNLCBKCXCJSQ-VXGBXAGGSA-N 237.347 0.442 30 20 BCED N#Cc1ccc(C(=O)N[C@H](CO)CC(F)F)[nH]1 430541396 HWRWRYCDTBGRHN-ZETCQYMHSA-N 243.213 0.632 30 20 BCED COC(=O)C(C)(C)CNC(=O)[C@@]1(C#N)C[C@@H]1C 450097998 SBSYBNFCSSQGKC-QPUJVOFHSA-N 238.287 0.852 30 20 BCED C=CCOCC(=O)NC[C@@H]1CC[C@H](C)O1 457363580 KOQCKIIFGHILFT-UWVGGRQHSA-N 213.277 0.873 30 20 BCED CC#CCNC(=O)NC[C@H]1CC[C@H](C)O1 459218469 REXMOSAHRLRHIX-VHSXEESVSA-N 210.277 0.876 30 20 BCED C=CCCCS(=O)(=O)NC[C@H](O)C(F)F 489518827 SXKUWHWWTPZBOE-ZETCQYMHSA-N 243.275 0.498 30 20 BCED C#C[C@@H](CC)NC(=O)CN1CCCCCC1=O 491287085 KTNNVBHMSGHODX-NSHDSACASA-N 236.315 0.917 30 20 BCED C#CCNC(=O)[C@@H]1CCn2ccnc2C1 491554666 LEMSTVDUHMHESP-SECBINFHSA-N 203.245 0.195 30 20 BCED C#C[C@H](CCC)NC(=O)[C@H](C)NC(C)=O 491634397 VAPHSYODJGYOFW-WCBMZHEXSA-N 210.277 0.429 30 20 BCED C#C[C@@H](CC)NC(=O)CS(=O)(=O)C(C)(C)C 491733746 AVIHSTVSGFLTRP-VIFPVBQESA-N 245.344 0.728 30 20 BCED C#CCNC(=O)CCNC[C@@H]1CCOC[C@@H]1C 491801495 CQJLCNHXFMNRKW-RYUDHWBXSA-N 238.331 0.388 30 20 BCED N#Cc1nc(F)ccc1OC[C@H]1CNC(=O)O1 495946745 NGFNBXWGHCRTIW-ZCFIWIBFSA-N 237.190 0.580 30 20 BCED CNC(=O)OC[C@H]1CCCCN1CC#N 496674857 XHOIFASYUQBEMM-SECBINFHSA-N 211.265 0.720 30 20 BCED COC(=O)[C@H]1CC[C@@H](C(=O)NC(C)(C)C#N)O1 519855882 GNBJWYDAMMODSJ-JGVFFNPUSA-N 240.259 0.125 30 20 BCED N#Cc1ccncc1C(=O)NCc1cc[nH]n1 520870300 QILPKTHJCALGGT-UHFFFAOYSA-N 227.227 0.606 30 20 BCED CC(C)N(CCC#N)C(=O)CCn1cncn1 522584977 BPGUBTNXQPRYIG-UHFFFAOYSA-N 235.291 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1054639269 SNVPLJYMYTZTNT-ZYHUDNBSSA-N 231.299 0.360 30 20 BCED C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCN1CC#N 1088941335 SIGSOEAYFGSNSX-ZJUUUORDSA-N 247.302 0.055 30 20 BCED CN(CCNC(=O)C1CC1)c1ncccc1C#N 1099892459 QOFOOXNTHSEWMF-UHFFFAOYSA-N 244.298 0.916 30 20 BCED C#CCCN1C[C@H]2C(NC(=O)[C@H](C)OC)[C@@H]2C1 1113962860 NSJAOMHWGQIJHH-HBNTYKKESA-N 236.315 0.091 30 20 BCED C=CC[C@H](NC(=O)[C@H]1CCCO1)C(=O)OCC 1116568688 ZULICRFRHGQVDR-VHSXEESVSA-N 241.287 0.789 30 20 BCED C#CCN(C)c1nnnn1[C@@H]1CCO[C@@H](C)C1 1120157517 ZERJPBUYCCIPDT-VHSXEESVSA-N 235.291 0.483 30 20 BCED C#CCCn1nnnc1N1CCOC[C@@H](C)C1 1120236459 UZEIKQSBYGSBJW-JTQLQIEISA-N 235.291 0.169 30 20 BCED C[C@H](C#N)CN(C)c1nnc(C2CC(O)C2)n1C 1121471227 NMDVJGCVYVYPPN-XNWIYYODSA-N 249.318 0.649 30 20 BCED C#CCCNCCNC(=O)C(C)(C)F 1122517341 XWIAXWSOXDVIFI-UHFFFAOYSA-N 200.257 0.464 30 20 BCED N#C[C@@H](C(=O)[C@@H]1CC1(F)F)C(=O)N1CCCC1 1122533214 KBPLTEXUVPYDPN-YUMQZZPRSA-N 242.225 0.973 30 20 BCED C#CCN(CC)c1nnnn1[C@@H]1C[C@@H]2CC[C@H]1O2 1123465010 MMSFWJRNMGUOTR-HBNTYKKESA-N 247.302 0.625 30 20 BCED C#CCNCCNC(=O)c1cc(Cl)c[nH]1 1123466606 JNRVAESHHRWSHK-UHFFFAOYSA-N 225.679 0.621 30 20 BCED C=CCONC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1123654417 YIKFKDBNSCZUPZ-DJLDLDEBSA-N 212.249 0.723 30 20 BCED C#CCO[C@@H](C)C(=O)NCCNCC(=C)C 1127046483 SLWVELWQDBOSBG-NSHDSACASA-N 224.304 0.307 30 20 BCED C#CCN[C@H](C)C[C@@H](C)NC(=O)C(F)F 1133438373 SBOVVLIVSVSECF-HTQZYQBOSA-N 218.247 0.758 30 20 BCED C=CCNCCNC(=O)c1cn(C)nc1Cl 1147490297 JQNNTHSYDGGTKD-UHFFFAOYSA-N 242.710 0.579 30 20 BCED COCC#CCNCCCNC(=O)[C@@H]1C[C@@H]1C 1154307896 GIVMTUQKMFLCOA-NWDGAFQWSA-N 238.331 0.388 30 20 BCED CCCCOCC(=O)NCCCNCC#N 1155994786 ZLIFWRIYAXZNET-UHFFFAOYSA-N 227.308 0.423 30 20 BCED C#CCN(C)C[C@H]1CCCCN1C(C)=O 1157401146 YFWIIHPUKHEPND-GFCCVEGCSA-N 208.305 0.952 30 20 BCED N#CCNCCCNC(=O)c1c[nH]nc1C1CC1 1169994702 VPCCHRXNRMUFIV-UHFFFAOYSA-N 247.302 0.520 30 20 BCED C#CCN1CCCN(C(=O)CCCOC)CC1 1194999258 BTSHRYVTYBMBEH-UHFFFAOYSA-N 238.331 0.581 30 20 BCED C#CCN[C@H]1CCCN(C(=O)CCCOC)C1 1207524288 WVSMDXAEHDLIRN-LBPRGKRZSA-N 238.331 0.627 30 20 BCED C#CCCN1CCC(CNC(=O)[C@@H](C)C#N)CC1 1222657639 BCMBLPIHVFPGPW-LBPRGKRZSA-N 247.342 0.998 30 20 BCED C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC#C 1234216638 ZMXVACLWQRLBSQ-CHWSQXEVSA-N 248.326 0.191 30 20 BCED CN1CCN(C[C@@H](C#N)CCC#N)CC1 1248462573 ODVFNMPHWFYKJZ-LLVKDONJSA-N 206.293 0.677 30 20 BCED C=C[C@H](COC)NC(=O)CCC(=O)NCCC 1255036786 UYXNDGZPCBTQQB-SNVBAGLBSA-N 242.319 0.610 30 20 BCED N#C[C@@H]1COCCN1C(=O)CCc1cncnc1 1261299140 GHXZMOAVXYLAQM-LLVKDONJSA-N 246.270 0.160 30 20 BCED C[C@@H](CC#N)Nc1cc(=O)n(C)c(O)n1 1262682426 YICRZVLQMBPMPC-LURJTMIESA-N 208.221 0.200 30 20 BCED C=CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](CN)C1 1263110478 XDYCSCGHGFXCIO-SRVKXCTJSA-N 239.363 0.914 30 20 BCED C=C(CC)C(=O)NCc1nnc(O)n1C 1263859528 PVVQGNMVVGBBSJ-UHFFFAOYSA-N 210.237 0.103 30 20 BCED CCCN1CCCC[C@@H]1C(=O)NCC#N 1318146092 PFQQEVLABXDQMH-SNVBAGLBSA-N 209.293 0.891 30 20 BCED CCn1cnnc1CCNC(=O)C1(C#N)CCC1 1318727435 MZVBSUUITXBYOE-UHFFFAOYSA-N 247.302 0.651 30 20 BCED N#CCCCCOC(=O)CCc1nc[nH]n1 1319185479 CDEMRRRMIJNBJN-UHFFFAOYSA-N 222.248 0.974 30 20 BCED N#CCC(=O)N1CCC[C@H]1c1ncc[nH]1 1320391461 WZZSMGNTGKMRSG-QMMMGPOBSA-N 204.233 0.987 30 20 BCED C#CCN(CC1CC1)C(=O)c1coc(C(N)=O)c1 1321048824 NHVGHYVRTILBSC-UHFFFAOYSA-N 246.266 0.864 30 20 BCED C=CC[C@@H]1NC(=O)N(CCCC#N)C1=O 1321236955 UDGLXYAAQMNGLY-QMMMGPOBSA-N 207.233 0.787 30 20 BCED O=C(NO)C(=O)c1cnn(-c2ccccc2)c1 1321591235 KKHDCHCEIAOJME-UHFFFAOYSA-N 231.211 0.560 30 20 BCED CC(=O)N[C@@H](C)C(=O)NCc1ccc(C#N)cn1 1329360571 RDULVLHTMGAMCI-QMMMGPOBSA-N 246.270 0.094 30 20 BCED C=C(CO)C(=O)N1CCO[C@H](C(F)F)C1 1330302434 YOMWRVBGJDIIIR-ZETCQYMHSA-N 221.203 0.027 30 20 BCED C#CCCN(CCOC)C(=O)c1cnnc(O)c1 1331295661 ZJGJLAMCAMIBSZ-UHFFFAOYSA-N 249.270 0.294 30 20 BCED COC[C@H](C#N)OC(=O)c1cc(OC)ncn1 1332816213 QGVATNNFRBOSGO-ZETCQYMHSA-N 237.215 0.181 30 20 BCED C=CCN(c1nnnn1CC)[C@@H](C)COC 1332945443 YXGRZVOPTZYASA-VIFPVBQESA-N 225.296 0.720 30 20 BCED N#CCCN(CC1CC1)C(=O)CCn1cnnn1 1333254948 YPAFQQALIMITBZ-UHFFFAOYSA-N 248.290 0.215 30 20 BCED COCC#CC(=O)N(C)[C@H](CO)CC(C)(C)C 1334435540 LRMOJGNGXGOCFI-NSHDSACASA-N 241.331 0.892 30 20 BCED Cc1c(C#N)cccc1C(=O)NN1CCOC1=O 1335329346 ICOMUXMBMMUIEF-UHFFFAOYSA-N 245.238 0.964 30 20 BCED C#CCCN(CCOC)c1nnnn1CC1CC1 1335367779 OBJMZYGWFIVLLW-UHFFFAOYSA-N 249.318 0.559 30 20 BCED C#CCN1CCC(OC(=O)[C@@H]2C[C@@H]2F)CC1 1346161309 NXSRICVYWDRRRF-MNOVXSKESA-N 225.263 0.985 30 20 BCED C=CCCOCCNC(=O)c1cc(N)ccn1 1346710884 MHNVWDZKAZCJRU-UHFFFAOYSA-N 235.287 0.986 30 20 BCED C#CCC(C)(C)C(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1347718749 TVOZMPVROYGRQX-URLYPYJESA-N 221.300 0.733 30 20 BCED COCC#CC(=O)N[C@H](C)[C@](C)(OC)C1CC1 1351033250 OHPWWLOCJIWNCN-MFKMUULPSA-N 239.315 0.956 30 20 BCED C#CCN(CC#N)C(=O)[C@@H]1CCC[C@@H]1OC 1354900184 WKXYFDLZZIXINV-MNOVXSKESA-N 220.272 0.787 30 20 BCED CN1C[C@@H](OC(=O)c2ccc(C#N)[nH]2)CCC1=O 1514759284 JUAQSUBQIGVMGD-VIFPVBQESA-N 247.254 0.664 30 20 BCED N#Cc1cccc(N2CC(OCCO)C2)n1 1548524007 SEBUNSGNCQIDEW-UHFFFAOYSA-N 219.244 0.151 30 20 BCED C#Cc1cccc(NC(=O)[C@@H](N)C(C)(C)O)c1 1574067351 OTRYSRRBMGHFHH-LLVKDONJSA-N 232.283 0.705 30 20 BCED C#CC[C@H]1CCN(C(=O)NC[C@@H]2CNC[C@H]2C)C1 1574545489 QHIOOUYGXKTENT-AGIUHOORSA-N 249.358 0.897 30 20 BCED C[C@@H](C#N)CNC(=O)N[C@H]1CCN[C@@H]1C 1575052014 VULBXBFAUNYYHJ-YIZRAAEISA-N 210.281 0.196 30 20 BCED CC(C)[C@@H](C#N)NC(=O)[C@]12C[C@H](N)C[C@H]1C2 1575821115 QWDALWCDBUXMPW-BTQIBKBOSA-N 221.304 0.778 30 20 BCED CN(C[C@H](C#N)CCC#N)[C@H]1[C@@H]2CNC[C@@H]21 1578436871 BKOASERFBGUVFM-NNYUYHANSA-N 218.304 0.580 30 20 BCED N#C[C@H](NC(=O)[C@H]1[C@@H](CN)C1(F)F)C1CC1 1580036033 MGZBVXLJPWZQHY-GJMOJQLCSA-N 229.230 0.245 30 20 BCED N#CC1(CNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)CC1 1580038491 NXVRNSNZUHYKRN-XHNCKOQMSA-N 205.261 0.014 30 20 BCED C=CCNC(=S)N(C)[C@H](CC)C(=O)O 1588465407 IQYZGVODINDJGA-SSDOTTSWSA-N 216.306 0.842 30 20 BCED C=C(C)C[C@H](C)C(=O)NC[C@](C)(O)C(=O)O 1588535690 KJYXDJZTJSYZBV-KWQFWETISA-N 229.276 0.541 30 20 BCED C=C(CCN(C)C)C(=O)N[C@@H](CCC)C(=O)O 1588636559 LLDGBBZVSKMCJG-JTQLQIEISA-N 242.319 0.864 30 20 BCED C=CC(C)(C)C(=O)O[C@H]1C[C@@H](C(=O)O)N(C)C1 1588671766 IIQSMHZAWMVWAW-IUCAKERBSA-N 241.287 0.899 30 20 BCED CC#CCOC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1C(=O)O 1588931996 IATHGAOEUGATED-QEYWKRMJSA-N 238.239 0.431 30 20 BCED CON=CC(=O)NC1(C(=O)O)CCCCC1 1594042053 CFPOBYAOUANRNI-UHFFFAOYSA-N 228.248 0.522 30 20 BCED N#CC1(COC(=O)COCC(=O)O)CCCC1 1594601464 CGYGRFZTDCODTO-UHFFFAOYSA-N 241.243 0.715 30 20 BCED C#CCN(CC(=O)O)C(=O)[C@H](C)c1cnn(C)c1 1602678574 BUBFFFPAXPVMGV-SECBINFHSA-N 249.270 0.070 30 20 BCED C[C@@H](C#N)NC(=O)C1(CC(=O)O)CCC1 1604979094 NQAXMHJUJSIKMN-ZETCQYMHSA-N 210.233 0.660 30 20 BCED COC[C@@H](C#N)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1606777270 NKBRRIKHJMCCPM-DJLDLDEBSA-N 241.243 0.569 30 20 BCED N#CCN(CC(=O)O)Cc1ccc(CO)cc1 1608184250 VNBNSUYAWGVICV-UHFFFAOYSA-N 234.255 0.589 30 20 BCED CCN(CC#N)C(=O)c1ccc(C(=O)O)nc1 1609995886 NJONDQXZWVDWGG-UHFFFAOYSA-N 233.227 0.765 30 20 BCED CN1CCN(N=Cc2ccoc2C(=O)O)CC1 1610138388 TWMNBNNNFLVIOU-UHFFFAOYSA-N 237.259 0.559 30 20 BCED CC(=O)N[C@H](C(=O)N[C@@H](C)CC#N)C(C)(C)C 1627653689 QXYQKSGEGOUDCC-WCBMZHEXSA-N 239.319 0.956 30 20 BCED C[C@@H]1OCC[C@@H]1Cn1c(N)nc(C#N)c1C#N 1640850299 KRHHXRGCJNJZBS-JGVFFNPUSA-N 231.259 0.634 30 20 BCED N#Cc1cc(=O)n(CCc2cnoc2)cn1 1652919077 JMGMPIZEPOJFHL-UHFFFAOYSA-N 216.200 0.346 30 20 BCED C=CCN[C@@H](C)CN(C)C(=O)[C@@H](CC)N(C)C 1700774576 DMWGUAHHPJNKJP-NWDGAFQWSA-N 241.379 0.949 30 20 BCED CC(=O)NC[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 1738229045 NGEAEERZLZMLFQ-MRVPVSSYSA-N 248.286 0.388 30 20 BCED C=CCN[C@@H](CNC(=O)Cc1cnc[nH]1)C1CC1 1752484761 RVLAOCBHIHVIIN-LBPRGKRZSA-N 248.330 0.623 30 20 BCED C=C(C)CN1CC(NC(=O)C[C@H](C)OC)C1 1753372573 UQIZLWNGKMBQET-JTQLQIEISA-N 226.320 0.788 30 20 BCED C=CCCCC(=O)NC1CN([C@@H](C)C(N)=O)C1 1753385763 FUWYXYYCGWPBAM-VIFPVBQESA-N 239.319 0.017 30 20 BCED C#CCNC[C@H](C)N(C)C(=O)CCCN(C)C 1753709604 BNRSQQUTNUOMPP-LBPRGKRZSA-N 239.363 0.398 30 20 BCED C=CCNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 1753929132 VAELWGNSZTXHDZ-UWVGGRQHSA-N 224.304 0.039 30 20 BCED C#CCCNC/C=C\CNC(=O)Cc1cnc[nH]1 1754175286 KDJKZGKFJGBAJE-PLNGDYQASA-N 246.314 0.238 30 20 BCED CC#CC[C@H](NCc1nc(C)cn1C)C(=O)O 1776194965 NBJIPOYKRKWHBY-JTQLQIEISA-N 235.287 0.685 30 20 BCED