0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,0,0,0,0|1,0,1]=2 16 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,0,0,0,0|1,0,1]=2 17 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,0,0,0,0|1,0,1]=2 18 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,0,0,0,0|1,0,1]=2 19 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|4,0,0]=4 22 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|2,0,1]=4 45 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|1,0,1]=3 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|1,0,1]=3 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|1,0,0]=2 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|1,0,0]=2 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|0,0,1]=2 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|0,0,1]=2 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|0,0,1]=2 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|0,0,1]=2 60 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,1,0,0,0,0|1,0,1]=3 63 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|1,0,0]=2 71 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|1,0,0]=2 74 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|1,0,2]=4 80 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|1,1,1]=4 81 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|1,1,1]=4 82 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|1,0,1]=3 91 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|0,0,0]=1 105 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|0,0,0]=1 106 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|0,0,2]=3 109 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|0,0,2]=3 110 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|0,0,2]=3 111 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|0,0,2]=3 112 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|0,0,2]=3 114 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|0,0,2]=3 115 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|1,0,2]=4 122 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|1,0,2]=4 123 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|0,0,2]=3 124 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|0,0,2]=3 125 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|1,1,1]=4 126 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|1,1,1]=4 127 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|0,1,1]=3 128 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|0,1,1]=3 129 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|3,0,0]=4 145 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|3,0,0]=4 148 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|1,0,2]=4 160 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|1,0,1]=3 174 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|1,0,1]=3 175 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|1,0,1]=3 176 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|1,0,1]=3 177 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|1,0,1]=3 178 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 185 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|1,0,2]=4 186 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 187 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|1,0,2]=4 188 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|2,0,1]=4 190 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|1,0,2]=4 193 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|3,0,0]=4 194 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|3,0,0]=4 195 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|3,0,0]=4 196 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|3,0,0]=4 197 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|1,0,2]=4 200 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|1,0,2]=4 201 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|1,0,2]=4 202 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|1,0,2]=4 203 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|1,0,2]=4 204 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|3,0,0]=4 210 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|3,0,0]=4 211 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|3,0,0]=4 213 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|3,0,0]=4 214 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|3,0,0]=4 215 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|3,0,0]=4 216 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|3,0,0]=4 217 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|1,0,1]=3 218 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|1,0,0]=2 220 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|0,0,0]=1 224 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|0,0,0]=1 225 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|0,0,0]=1 226 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|0,0,0]=1 227 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|1,0,1]=3 231 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|1,0,1]=3 232 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|1,0,1]=3 233 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|2,0,0]=3 235 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|2,0,0]=3 237 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|1,0,1]=3 239 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|1,0,1]=3 240 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|3,0,0]=4 241 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|3,0,0]=4 242 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|3,0,0]=4 243 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|3,0,0]=4 244 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|3,0,0]=4 245 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|3,0,0]=4 246 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|0,0,0]=2 247 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|0,0,0]=2 248 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|0,0,0]=2 249 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|0,0,0]=2 250 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|0,0,0]=2 251 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|0,0,0]=2 252 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 253 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 254 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 255 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 256 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 257 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 259 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|1,0,1]=4 260 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|1,0,1]=4 261 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 262 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|1,0,1]=4 263 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,0]=3 264 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,0]=3 265 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,0]=3 266 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,0]=3 267 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,0]=3 268 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|2,0,0]=4 269 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|2,0,0]=4 270 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|2,0,0]=4 271 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|2,0,0]=4 272 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|2,0,0]=4 273 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|2,0,0]=4 274 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|2,0,0]=4 275 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 276 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|1,0,1]=4 277 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 278 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,1]=4 279 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 280 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|1,0,1]=4 281 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 282 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|0,0,0]=2 283 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 284 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 285 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,1]=4 286 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,1]=4 287 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 288 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|0,0,2]=4 289 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 290 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|0,0,2]=4 291 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|0,0,2]=4 292 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 293 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|0,0,2]=4 294 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|0,1,1]=4 295 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|0,1,1]=4 296 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|1,0,0]=3 297 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|1,0,0]=3 298 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|1,0,0]=3 299 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,1]=4 300 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|0,0,2]=4 301 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|0,0,2]=4 302 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|1,0,0]=3 303 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,2,0,0,0,0|1,0,1]=4 306 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,2,0,0,0,0|1,0,1]=4 307 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.1 C#CCN(C)CF 34a_100000225692_100015361967 [0,2,0,0,0,0|1,0,1]=4 310 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|2,0,0]=4 314 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|2,0,0]=4 316 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|2,0,0]=4 317 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|2,0,0]=4 319 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|2,0,0]=4 320 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|2,0,0]=4 321 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,2,0,0,0,0|1,0,1]=4 333 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,2,0,0,0,0|1,0,1]=4 334 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,2,0,0,0,0|1,0,1]=4 337 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,2,0,0,0,0|1,0,1]=4 339 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|0,0,0]=2 344 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,2,0,0,0,0|0,0,2]=4 348 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,2,0,0,0,0|0,0,2]=4 349 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,2,0,0,0,0|0,0,2]=4 350 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,2,0,0,0,0|0,0,2]=4 351 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,2,0,0,0,0|0,0,2]=4 352 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,2,0,0,0,0|0,0,2]=4 353 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|0,0,2]=4 354 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|0,0,2]=4 355 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,2,0,0,0,0|0,1,1]=4 356 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,2,0,0,0,0|0,1,1]=4 357 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,2,0,0,0,0|0,0,2]=4 358 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,2,0,0,0,0|0,0,2]=4 359 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,2,0,0,0,0|0,0,2]=4 360 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|1,0,1]=4 361 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,2,0,0,0,0|1,0,0]=3 368 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|2,0,0]=4 372 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|1,0,0]=3 373 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|1,0,0]=3 379 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|1,0,0]=3 380 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|0,0,0]=2 382 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,2,0,0,0,0|1,0,1]=4 390 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,2,0,0,0,0|1,0,1]=4 391 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,2,0,0,0,0|1,0,1]=4 393 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,2,0,0,0,0|1,0,1]=4 394 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,2,0,0,0,0|1,0,1]=4 395 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,2,0,0,0,0|1,0,1]=4 396 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|0,0,2]=4 397 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|0,0,2]=4 398 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|0,0,2]=4 399 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|0,0,2]=4 400 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|0,0,2]=4 401 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|0,0,2]=4 402 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|0,0,0]=2 403 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|0,0,0]=2 404 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|0,0,0]=2 405 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|0,0,0]=2 406 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|0,0,0]=2 407 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|0,0,0]=2 408 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,2,0,0,0,0|1,0,1]=4 409 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,2,0,0,0,0|0,0,1]=3 411 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|0,0,0]=2 412 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|0,0,0]=2 413 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|2,0,0]=4 414 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|0,0,2]=4 415 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|0,0,2]=4 416 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|1,0,0]=3 417 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|1,0,1]=4 420 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|1,0,1]=4 424 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,0]=3 428 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|0,0,0]=2 429 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|0,0,0]=2 430 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|1,0,1]=4 432 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|1,0,0]=3 436 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|1,0,0]=3 437 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|1,0,0]=3 438 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|2,0,0]=4 439 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|1,0,0]=3 443 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|1,0,0]=3 444 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|0,0,2]=4 446 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|0,0,2]=4 447 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|0,0,2]=4 448 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|0,0,2]=4 449 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|0,0,2]=4 450 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|2,0,0]=4 451 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|1,0,0]=3 452 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|1,0,0]=3 453 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|1,0,0]=3 454 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|1,0,0]=3 455 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|2,0,0]=4 456 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 457 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 458 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 459 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 460 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|2,0,0]=4 461 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|2,0,0]=4 462 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,0]=3 463 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|2,0,0]=4 472 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|2,0,0]=4 473 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|0,0,0]=2 474 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|0,0,0]=2 475 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|0,0,0]=2 476 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|0,0,0]=2 477 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|0,0,0]=2 485 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|0,0,0]=2 486 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|2,0,0]=4 487 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|2,0,0]=4 488 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|2,0,0]=4 489 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|1,0,0]=3 490 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 491 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 492 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 493 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|2,0,0]=4 497 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|0,0,0]=2 498 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|2,0,0]=4 499 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|2,0,0]=4 500 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|2,0,0]=4 501 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,0]=3 503 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 504 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,0]=3 505 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 507 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|2,0,0]=4 508 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 509 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|2,0,0]=4 510 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 512 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|1,0,0]=3 514 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|1,0,0]=3 515 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|1,0,0]=3 517 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|0,0,2]=4 518 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|2,0,0]=4 519 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|2,0,0]=4 520 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 522 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|1,0,0]=3 524 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|1,0,0]=3 525 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|1,0,0]=3 526 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|1,0,0]=3 527 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|1,0,0]=3 528 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|1,0,0]=3 529 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|2,0,0]=4 530 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|2,0,0]=4 533 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 535 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|2,0,0]=4 536 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 537 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 538 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|0,0,2]=4 539 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,0]=3 540 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|2,0,0]=4 541 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|2,0,0]=4 545 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|2,0,0]=4 546 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|2,0,0]=4 547 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,2,0,0,0,0|1,0,1]=4 549 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,2,0,0,0,0|1,0,0]=3 550 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,2,0,0,0,0|1,0,0]=3 551 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,2,0,0,0,0|1,0,0]=3 553 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,2,0,0,0,0|2,0,0]=4 557 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|2,0,0]=4 561 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,2,0,0,0,0|2,0,0]=4 563 B6R0.4 CC#CCN(C)C 2230a_100102631434_100000748600 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|2,0,0]=4 565 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|1,0,1]=4 566 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|1,1,0]=4 567 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|1,1,0]=4 568 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|1,0,0]=3 570 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,2,0,0,0,0|2,0,0]=4 575 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,2,0,0,0,0|1,0,1]=4 580 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,2,0,0,0,0|1,0,1]=4 581 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,2,0,0,0,0|0,0,2]=4 582 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,2,0,0,0,0|1,0,1]=4 583 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,2,0,0,0,0|1,0,1]=4 584 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,2,0,0,0,0|1,0,1]=4 585 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,2,0,0,0,0|1,0,1]=4 586 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,2,0,0,0,0|1,0,1]=4 587 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,2,0,0,0,0|0,0,2]=4 589 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,2,0,0,0,0|0,0,2]=4 590 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,2,0,0,0,0|0,0,2]=4 591 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,2,0,0,0,0|0,1,1]=4 592 B6R0.4 CN(C)CSC#N 269982a_100102631434_100000211825 [0,2,0,0,0,0|0,1,1]=4 593 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,2,0,0,0,0|0,0,2]=4 595 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,2,0,0,0,0|0,0,2]=4 596 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 597 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|2,0,0]=4 598 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,2,0,0,0,0|0,0,2]=4 604 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,2,0,0,0,0|0,0,2]=4 605 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,2,0,0,0,0|0,0,2]=4 606 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,2,0,0,0,0|0,0,2]=4 607 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,2,0,0,0,0|0,0,2]=4 608 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,2,0,0,0,0|0,0,2]=4 609 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|1,1,0]=4 610 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|1,1,0]=4 611 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,2,0,0,0,0|0,1,1]=4 612 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,2,0,0,0,0|0,1,1]=4 613 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,2,0,0,0,0|0,1,1]=4 614 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,2,0,0,0,0|0,1,1]=4 615 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,2,0,0,0,0|0,1,1]=4 616 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,2,0,0,0,0|0,1,1]=4 617 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,2,0,0,0,0|0,1,1]=4 618 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|2,0,0]=4 622 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|2,0,0]=4 624 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|2,0,0]=4 625 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|2,0,0]=4 626 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 627 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 628 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 629 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 630 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [0,2,0,0,0,0|1,0,1]=4 631 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [0,2,0,0,0,0|1,0,1]=4 632 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [0,2,0,0,0,0|1,0,1]=4 634 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [0,2,0,0,0,0|1,0,1]=4 635 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,2,0,0,0,0|1,0,1]=4 637 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|1,0,1]=4 638 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,2,0,0,0,0|1,0,1]=4 641 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,2,0,0,0,0|1,0,1]=4 642 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|1,0,0]=3 645 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.7 CN(C)C(F)(F)F 269982a_100102631434_200000243211 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,2,0,0,0,0|1,0,1]=4 653 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,1,0,1,0,0|1,0,0]=3 654 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,1,0,1,0,0|1,0,1]=4 655 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,1,0,1,0,0|1,0,1]=4 656 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,1,0,1,0,0|0,1,1]=4 657 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,1,0,1,0,0|0,1,1]=4 658 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,1,0,1,0,0|1,0,0]=3 659 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,1,0,1,0,0|1,0,1]=4 660 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,1,0,1,0,0|1,0,1]=4 661 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,1,0,1,0,0|0,1,1]=4 662 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,1,0,1,0,0|0,1,1]=4 663 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 664 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 665 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,1,0,1,0,0|1,0,1]=4 666 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 667 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 668 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,1,0,1,0,0|1,0,1]=4 669 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,1,0,1,0,0|1,0,1]=4 670 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,1,0,1,0,0|1,0,1]=4 671 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,1,0,1,0,0|1,0,1]=4 672 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|0,0,2]=4 673 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,1,0,1,0,0|1,0,1]=4 674 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,1,0,1,0,0|1,0,1]=4 675 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,1,0,1,0,0|1,0,1]=4 676 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|0,0,2]=4 677 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|1,0,0]=3 678 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|2,0,0]=4 679 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,1,0,1,0,0|1,0,1]=4 680 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,1,0,1,0,0|1,0,1]=4 681 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,1,0,1,0,0|1,0,1]=4 682 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,1,0,1,0,0|1,0,1]=4 683 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,1,0,1,0,0|1,0,1]=4 684 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|1,0,0]=3 685 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|2,0,0]=4 686 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 687 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 688 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 689 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 690 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,1,0,1,0,0|1,0,1]=4 691 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,1,0,1,0,0|1,0,1]=4