0 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|1,0,0]=2 1 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|1,0,0]=2 2 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 3 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 4 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 5 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|3,0,0]=4 7 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|2,0,1]=4 8 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|2,1,0]=4 10 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|2,1,0]=4 11 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|0,0,0]=1 14 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|2,1,0]=4 18 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|2,1,0]=4 19 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 20 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 21 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 22 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 23 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 24 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 25 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|0,1,0]=3 26 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|0,1,0]=3 27 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|0,0,1]=3 28 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|0,0,1]=3 29 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|0,0,1]=3 30 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|0,0,1]=3 31 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,1,0,0,0,0|1,0,1]=4 32 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,1,0,0,0,0|2,0,0]=4 38 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,1,0,0,0,0|2,0,0]=4 39 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,1,0,0,0,0|1,0,1]=4 40 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,1,0,0,0,0|1,1,0]=4 41 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,1,0,0,0,0|1,1,0]=4 42 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|1,0,0]=3 43 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|1,0,0]=3 44 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|1,0,0]=3 45 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,1,0,0,0,0|2,0,0]=4 46 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,1,0,0,0,0|2,0,0]=4 47 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,1,0,0,0,0|2,0,0]=4 48 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,1,0,0,0,0|2,0,0]=4 49 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,1,0,0,0,0|2,0,0]=4 50 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,1,0,0,0,0|2,0,0]=4 51 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,1,0,0,0,0|2,0,0]=4 52 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 55 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,1,0,0,0,0|1,0,0]=3 56 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,1,0,0,0,0|2,0,0]=4 57 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,1,0,0,0,0|2,0,0]=4 58 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,1,0,0,0,0|2,0,0]=4 59 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,1,0,0,0,0|2,0,0]=4 60 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,1,0,0,0,0|2,0,0]=4 61 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,1,0,0,0,0|1,0,1]=4 62 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,1,0,0,0,0|1,1,0]=4 64 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,1,0,0,0,0|1,1,0]=4 65 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|0,0,0]=2 67 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,2,0,0,0,0|0,0,0]=2 87 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,2,0,0,0,0|0,0,0]=2 88 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,2,0,0,0,0|0,0,0]=2 89 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,2,0,0,0,0|0,0,0]=2