0 B2R0.1 CNC 2230a_106832991635_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B2R0.1 CNC 34a_100102657272_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B2R0.1 CNC 7a_106832991635_200000210301 [0,0,0,0,0,0|2,0,1]=3 3 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [0,0,0,0,0,0|2,0,1]=3 6 B2R0.1 COC 34a_100138415774_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B2R0.1 CSC 62a_200000210301_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.1 CCNC 2230a_100015525214_200000210301 [0,1,0,0,0,0|2,0,1]=4 13 B3R0.1 CCNC 2230a_106832991635_100000210202 [0,1,0,0,0,0|2,0,1]=4 14 B3R0.1 CCNC 34a_100102657272_100000210202 [0,1,0,0,0,0|2,0,1]=4 15 B3R0.1 CCNC 7a_106832991635_100000210202 [0,1,0,0,0,0|2,0,1]=4 16 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [0,1,0,0,0,0|2,0,1]=4 17 B3R0.1 CCOC 34a_100121572206_200000210301 [0,1,0,0,0,0|2,0,0]=3 18 B3R0.1 CCOC 34a_100138415774_100000210202 [0,1,0,0,0,0|2,0,0]=3 19 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [0,1,0,0,0,0|2,0,0]=3 20 B3R0.1 CCSC 62a_100000210202_200000210301 [0,1,0,0,0,0|2,1,0]=4 21 B3R0.1 CCSC 62a_200000210301_100000210202 [0,1,0,0,0,0|2,1,0]=4 22 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [0,1,0,0,0,0|2,1,0]=4 23 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [0,1,0,0,0,0|2,1,0]=4 24 B3R0.1 CNCF 34a_100102657272_100015361967 [0,1,0,0,0,0|2,0,1]=4 25 B3R0.1 CNCF 7a_106832991635_100015361967 [0,1,0,0,0,0|2,0,1]=4 26 B3R0.1 COCF 34a_100138415774_100015361967 [0,1,0,0,0,0|2,0,0]=3 27 B3R0.1 CSCF 62a_100015361967_200000210301 [0,1,0,0,0,0|2,1,0]=4 28 B3R0.1 CSCF 62a_200000210301_100015361967 [0,1,0,0,0,0|2,1,0]=4 29 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [0,1,0,0,0,0|2,1,0]=4 30 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [0,1,0,0,0,0|2,1,0]=4 31 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [0,1,0,0,0,0|2,0,0]=3 32 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [0,1,0,0,0,0|2,0,0]=3 33 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [0,1,0,0,0,0|2,0,1]=4 34 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [0,1,0,0,0,0|2,0,1]=4 35 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [0,1,0,0,0,0|2,0,1]=4 36 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,2,0,0,0,0|2,0,0]=4 38 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,2,0,0,0,0|2,0,0]=4 39 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,2,0,0,0,0|2,0,0]=4 40 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,2,0,0,0,0|2,0,0]=4 41 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,2,0,0,0,0|2,0,0]=4 42 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,2,0,0,0,0|1,0,0]=3 43 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,2,0,0,0,0|2,0,0]=4 44 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,2,0,0,0,0|2,0,0]=4 45 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,2,0,0,0,0|2,0,0]=4 46 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,2,0,0,0,0|2,0,0]=4 47 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,2,0,0,0,0|1,0,1]=4 48 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,2,0,0,0,0|1,0,1]=4 49 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,2,0,0,0,0|1,0,1]=4 50 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,2,0,0,0,0|1,0,1]=4 51 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,2,0,0,0,0|2,0,0]=4 52 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,2,0,0,0,0|2,0,0]=4 53 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,2,0,0,0,0|1,0,0]=3 54 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,2,0,0,0,0|2,0,0]=4 55 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,2,0,0,0,0|2,0,0]=4 56 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,2,0,0,0,0|2,0,0]=4 57 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,2,0,0,0,0|2,0,0]=4 58 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,2,0,0,0,0|2,0,0]=4 59 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,2,0,0,0,0|2,0,0]=4 60 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,2,0,0,0,0|2,0,0]=4 61 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,2,0,0,0,0|2,0,0]=4 62 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,2,0,0,0,0|2,0,0]=4 63 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,2,0,0,0,0|2,0,0]=4 64 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,2,0,0,0,0|2,0,0]=4 65 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,2,0,0,0,0|1,0,1]=4 66 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,2,0,0,0,0|1,0,1]=4 67 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,2,0,0,0,0|1,0,1]=4 68 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,2,0,0,0,0|1,0,1]=4 69 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,2,0,0,0,0|1,0,1]=4 70 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,2,0,0,0,0|1,0,1]=4 71 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,2,0,0,0,0|1,0,1]=4 72 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,2,0,0,0,0|1,0,1]=4 73 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,2,0,0,0,0|1,0,1]=4 74 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,2,0,0,0,0|1,0,0]=3 75 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,2,0,0,0,0|2,0,0]=4 76 B4R0.2 COCCF 34a_100138415774_100011217306 [0,2,0,0,0,0|2,0,0]=4 77 B4R0.2 COCCN 34a_100000210304_200000210301 [0,2,0,0,0,0|2,0,0]=4 78 B4R0.2 COCCO 34a_100138415774_100000211926 [0,2,0,0,0,0|1,0,1]=4 79 B4R0.2 COCSC 34a_100138415774_100011218213 [0,2,0,0,0,0|1,1,0]=4 80 B4R0.2 COCSC 62a_100000766300_200000210301 [0,2,0,0,0,0|1,1,0]=4 81 B4R0.2 COCSC 62a_200000210301_100000766300 [0,2,0,0,0,0|1,1,0]=4 82 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,2,0,0,0,0|1,1,0]=4 83 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,2,0,0,0,0|1,1,0]=4 84 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,2,0,0,0,0|1,1,0]=4 85 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,2,0,0,0,0|1,1,0]=4 86 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,2,0,0,0,0|1,1,0]=4 87 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,2,0,0,0,0|1,1,0]=4 88 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,2,0,0,0,0|1,0,1]=4 89 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,2,0,0,0,0|1,0,1]=4 90 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,2,0,0,0,0|2,0,0]=4 91 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,2,0,0,0,0|2,0,0]=4 92 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,2,0,0,0,0|1,1,0]=4 93 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,2,0,0,0,0|1,1,0]=4 94 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,2,0,0,0,0|1,1,0]=4 95 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,2,0,0,0,0|1,1,0]=4