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30 20 BBED C#C[C@@H](C)N(C)CC(=O)N1CCN(C)CC1 491724707 GVAMNDGTYVEHIR-LLVKDONJSA-N 223.320 -0.286 30 20 BBED CNC(=O)CCCN1CCOC[C@H]1C#N 517387432 GJKICTRUMOSTRL-SECBINFHSA-N 211.265 -0.263 30 20 BBED CO[C@H](C)CS(=O)(=O)NC1(C#N)CC1 551204127 JGZFBGQZZJJUQU-SSDOTTSWSA-N 218.278 -0.003 30 20 BBED C[C@@H](C#N)S(=O)(=O)NC1(CCO)CC1 563434480 HOICIVSJWOVSJJ-ZETCQYMHSA-N 218.278 -0.267 30 20 BBED CCCC(=O)Cn1c(=O)[nH]cc(C#N)c1=O 568627088 PLXIMNPFKVYDDX-UHFFFAOYSA-N 221.216 -0.223 30 20 BBED Cc1ccc(NC[C@H]2CNCCN2C)nc1C#N 572826610 RYTXSDOQBHLACG-LLVKDONJSA-N 245.330 0.577 30 20 BBED CN(C)[C@H]1CN(C(=O)CSCC#N)C[C@@H]1O 577106978 QRHKWXIXZWIOHK-IUCAKERBSA-N 243.332 -0.624 30 20 BBED COC(=O)CCN1CC[C@@](O)(CC#N)C1 592147390 LFCAYILZPOYLCD-JTQLQIEISA-N 212.249 -0.100 30 20 BBED C=C[C@@H]1OCC[C@H]1C(=O)NCCn1cnnc1 615627204 VBHMTBWYMUKKPP-ZJUUUORDSA-N 236.275 -0.015 30 20 BBED C=C[C@](C)(O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 616125338 VHSPZGGTOVEADJ-RNSXUZJQSA-N 226.276 -0.306 30 20 BBED CC#CC[C@H](CO)NC(=O)Nc1cccnn1 646304102 TYLZJPAMANDCLZ-SECBINFHSA-N 234.259 0.372 30 20 BBED C=CCCS(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1 647886228 HKLKXHHHAIOFJZ-UWVGGRQHSA-N 248.348 -0.501 30 20 BBED C=CC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O 654804513 STZBBTXHZMBGST-MRVPVSSYSA-N 238.291 -0.029 30 20 BBED C=CCCNC(=O)CCNC(=O)[C@@H]1CCCN1 662625697 AEOHFLGPDWYZNE-JTQLQIEISA-N 239.319 -0.063 30 20 BBED C=CCCNC(=O)NC[C@@]1(O)CCN(C)C1 665944807 UCILFPWFWGXIJD-NSHDSACASA-N 227.308 -0.072 30 20 BBED CC(C)(C)n1nnc(C=NNC(=N)N)n1 700274734 WFFZCGYAVDFUNZ-UHFFFAOYSA-N 210.245 -0.755 30 20 BBED CC(C)[C@@H](C#N)NC(=O)CN1C(=O)CNC1=O 701268240 MZQUQKAFSRBYNZ-SSDOTTSWSA-N 238.247 -0.797 30 20 BBED C#CCCS(=O)(=O)NCc1cn(CC)nn1 711063983 FECUDZNXMSANOY-UHFFFAOYSA-N 242.304 -0.259 30 20 BBED C#CC[C@H](CO)N[C@H]1CCCS(=O)(=O)C1 717803920 XHWBSPIRBUYFFE-ZJUUUORDSA-N 231.317 -0.463 30 20 BBED CCO[C@@H](C)C(=O)OCC(=O)NCC#N 731241302 DTHHXEMKGYFRLX-ZETCQYMHSA-N 214.221 -0.406 30 20 BBED N#CCN(CC(=O)O)C(=O)CCn1cncn1 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-0.220 30 20 BBED O=C(N[C@@H]1CCCN(O)C1=O)c1cnc[nH]1 816758129 IREKPXLSERYHFK-ZCFIWIBFSA-N 224.220 -0.480 30 20 BBED CCN(C(=O)C#CC(C)C)[C@@H]1CC(=O)NC1=O 824913554 VTCYXPQZMJTZQP-SECBINFHSA-N 236.271 -0.091 30 20 BBED C=C[C@@H](O)C(=O)N(C)C[C@H](C)c1nn[nH]n1 832125305 AQOIJFFEIWMKCX-NKWVEPMBSA-N 225.252 -0.692 30 20 BBED C#C[C@@H](CC)NS(=O)(=O)N1CCCOCC1 845923066 JVBLUSRLWYYRKJ-JTQLQIEISA-N 246.332 -0.045 30 20 BBED Cn1ncc(C#N)c1NC[C@H]1CC(C(N)=O)=NO1 853513170 WXZDYPTVEAOVBD-SSDOTTSWSA-N 248.246 -0.666 30 20 BBED C=C[C@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 856276431 NQNWEIXDCKBONB-FSDSQADBSA-N 200.194 -0.685 30 20 BBED C#CCOCCNC(=O)[C@@H]1CCOC(=O)N1 860773390 RPKVJQVBODTTGP-QMMMGPOBSA-N 226.232 -0.749 30 20 BBED N#CC1(CNC(=O)N2CCOCCN2)CC1 894569584 ZZSXGZPJMARCEX-UHFFFAOYSA-N 224.264 -0.163 30 20 BBED C=C[C@](C)(O)C(=O)N1CC[C@@H](C(=O)O)C1 909422513 HGKFFSJUMBERSW-XCBNKYQSSA-N 213.233 -0.144 30 20 BBED C=C[C@@H](O)C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 909990444 DCLJJTMHYCYREF-GJMOJQLCSA-N 213.233 -0.145 30 20 BBED C#CCSCC(=O)N1CCN(C)C[C@H]1CO 912750506 DZKQVJBGNVEWKL-JTQLQIEISA-N 242.344 -0.512 30 20 BBED C[C@@H]1NC(=O)[C@H](C)N(CC(=O)NCC#N)[C@@H]1C 930829820 CIJLYYAQIOCCFG-YIZRAAEISA-N 238.291 -0.777 30 20 BBED C#CC(C)(C)NC(=O)C[C@H]1CC(=O)NC1=O 932754824 LYFKNPNQRYLDEC-SSDOTTSWSA-N 222.244 -0.433 30 20 BBED C#CC1(O)CN(CC[C@H]2CCS(=O)(=O)C2)C1 934447087 AJXVUBFRAQQBPU-JTQLQIEISA-N 243.328 -0.509 30 20 BBED C=CCN1CC[C@H](NC(=O)C(N)=O)C[C@H]1C 947668141 VJFZRVKISFJWRZ-BDAKNGLRSA-N 225.292 -0.373 30 20 BBED C#CCN1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 957783864 NIRKTGYOFPRNHT-WDEREUQCSA-N 222.288 -0.562 30 20 BBED C#CCN[C@H]1CCN(C(=O)c2cnnn2C)C1 1018791656 YJKZGEGXQGWIKB-VIFPVBQESA-N 233.275 -0.748 30 20 BBED C#CCN[C@H]1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 1022053709 SAUJDFMROZKXLI-AOOOYVTPSA-N 247.302 -0.474 30 20 BBED C#CCCN1CC(NC(=O)[C@@H]2CCC(=O)N2C)C1 1030805754 WWARZIFGOSJRJH-NSHDSACASA-N 249.314 -0.569 30 20 BBED C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 1076755662 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