0 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [0,0,0,0,0,0|0,0,2]=2 1 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [0,0,0,0,0,0|0,0,2]=2 2 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [0,0,0,0,0,0|2,0,0]=2 6 B2R0.1 CNC 2230a_106832991635_200000210301 [1,0,0,0,0,0|1,0,0]=2 7 B2R0.1 CNC 34a_100102657272_200000210301 [1,0,0,0,0,0|1,0,0]=2 8 B2R0.1 CNC 7a_106832991635_200000210301 [1,0,0,0,0,0|1,0,0]=2 9 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [1,0,0,0,0,0|1,0,0]=2 10 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [1,0,0,0,0,0|1,0,0]=2 11 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [1,0,0,0,0,0|1,0,0]=2 12 B2R0.1 COC 34a_100138415774_200000210301 [1,0,0,0,0,0|1,0,0]=2 13 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [1,0,0,0,0,0|1,0,0]=2 14 B2R0.1 CSC 62a_200000210301_200000210301 [1,0,0,0,0,0|1,0,0]=2 15 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [1,0,0,0,0,0|1,0,0]=2 16 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [1,0,0,0,0,0|1,0,0]=2 17 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,1,0,0,0,0|0,0,3]=4 19 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,1,0,0,0,0|0,0,3]=4 20 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,1,0,0,0,0|0,0,3]=4 21 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,1,0,0,0,0|0,0,3]=4 22 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,1,0,0,0,0|0,0,2]=3 23 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,1,0,0,0,0|0,0,2]=3 24 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,1,0,0,0,0|0,0,0]=1 27 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,1,0,0,0,0|0,1,0]=2 28 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,1,0,0,0,0|0,1,0]=2 29 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,1,0,0,0,0|0,0,2]=3 30 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,1,0,0,0,0|0,0,2]=3 31 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,1,0,0,0,0|0,0,2]=3 32 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,1,0,0,0,0|2,0,0]=3 35 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,1,0,0,0,0|0,0,2]=3 40 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,1,0,0,0,0|0,0,2]=3 41 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,1,0,0,0,0|0,0,2]=3 42 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,1,0,0,0,0|0,0,2]=3 43 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,1,0,0,0,0|1,0,0]=2 44 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,1,0,0,0,0|1,0,0]=2 47 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,1,0,0,0,0|0,0,0]=1 49 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,1,0,0,0,0|0,0,0]=1 50 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,1,0,0,0,0|0,1,0]=2 51 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,1,0,0,0,0|0,1,0]=2 52 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,1,0,0,0,0|0,0,2]=3 53 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,1,0,0,0,0|0,0,0]=2 54 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,1,0,0,0,0|0,0,0]=2 55 B3R0.1 CCNC 34a_100102657272_100000210202 [1,1,0,0,0,0|0,0,0]=2 56 B3R0.1 CCNC 7a_106832991635_100000210202 [1,1,0,0,0,0|0,0,0]=2 57 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,1,0,0,0,0|0,0,0]=2 58 B3R0.1 CCOC 34a_100121572206_200000210301 [1,1,0,0,0,0|0,0,0]=2 59 B3R0.1 CCOC 34a_100138415774_100000210202 [1,1,0,0,0,0|0,0,0]=2 60 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,1,0,0,0,0|0,0,0]=2 61 B3R0.1 CCSC 62a_100000210202_200000210301 [1,1,0,0,0,0|0,0,0]=2 62 B3R0.1 CCSC 62a_200000210301_100000210202 [1,1,0,0,0,0|0,0,0]=2 63 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,1,0,0,0,0|0,0,0]=2 64 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,1,0,0,0,0|0,0,0]=2 65 B3R0.1 CNCF 34a_100102657272_100015361967 [1,1,0,0,0,0|1,0,0]=3 66 B3R0.1 CNCF 7a_106832991635_100015361967 [1,1,0,0,0,0|1,0,0]=3 67 B3R0.1 COCF 34a_100138415774_100015361967 [1,1,0,0,0,0|1,0,0]=3 68 B3R0.1 CSCF 62a_100015361967_200000210301 [1,1,0,0,0,0|1,0,0]=3 69 B3R0.1 CSCF 62a_200000210301_100015361967 [1,1,0,0,0,0|1,0,0]=3 70 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,1,0,0,0,0|1,0,0]=3 71 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,2,0,0,0,0|0,0,2]=4 74 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,2,0,0,0,0|0,0,2]=4 75 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,2,0,0,0,0|2,0,0]=4 79 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,2,0,0,0,0|1,0,1]=4 81 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,2,0,0,0,0|0,0,2]=4 84 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,2,0,0,0,0|0,0,2]=4 85 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,2,0,0,0,0|0,0,2]=4 86 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,2,0,0,0,0|1,0,1]=4 89 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,2,0,0,0,0|1,0,1]=4 90 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,2,0,0,0,0|0,0,2]=4 91 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,2,0,0,0,0|0,0,2]=4 92 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,2,0,0,0,0|0,0,2]=4 93 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,2,0,0,0,0|2,0,0]=4 98 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,2,0,0,0,0|2,0,0]=4 99 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,2,0,0,0,0|0,0,2]=4 100 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,2,0,0,0,0|0,0,2]=4 101 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,2,0,0,0,0|0,0,2]=4 102 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,2,0,0,0,0|0,0,2]=4 103 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,2,0,0,0,0|0,0,2]=4 104 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,2,0,0,0,0|0,0,2]=4 105 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,2,0,0,0,0|0,0,2]=4 106 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,2,0,0,0,0|0,0,2]=4 107 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,2,0,0,0,0|1,0,0]=3 109 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,2,0,0,0,0|1,0,0]=3 110 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,2,0,0,0,0|0,0,0]=2 111 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,2,0,0,0,0|0,1,0]=3 112 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,2,0,0,0,0|0,1,0]=3 113 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,2,0,0,0,0|1,0,0]=3 114 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,2,0,0,0,0|0,0,0]=2 115 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,2,0,0,0,0|0,1,0]=3 116 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,2,0,0,0,0|0,1,0]=3 117 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,2,0,0,0,0|0,0,0]=2 119 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|0,0,0]=2 120 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,2,0,0,0,0|0,0,0]=2 121 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,2,0,0,0,0|0,0,0]=2 122 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,2,0,0,0,0|0,0,2]=4 123 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,2,0,0,0,0|0,0,2]=4 124 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,2,0,0,0,0|0,0,2]=4 125 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,2,0,0,0,0|0,0,2]=4 126 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,2,0,0,0,0|0,0,2]=4 127 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,2,0,0,0,0|2,0,0]=4 128 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,2,0,0,0,0|2,0,0]=4 129 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,2,0,0,0,0|2,0,0]=4 130 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,2,0,0,0,0|2,0,0]=4 131 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,2,0,0,0,0|0,0,2]=4 134 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,2,0,0,0,0|0,0,2]=4 135 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,2,0,0,0,0|0,0,2]=4 136 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,2,0,0,0,0|1,0,0]=3 137 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,2,0,0,0,0|1,0,0]=3 138 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,2,0,0,0,0|1,0,0]=3 139 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,2,0,0,0,0|0,0,0]=2 140 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,2,0,0,0,0|0,0,0]=2 141 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,2,0,0,0,0|0,1,0]=3 142 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,2,0,0,0,0|0,1,0]=3 143 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,2,0,0,0,0|2,0,0]=4 144 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,2,0,0,0,0|2,0,0]=4 145 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,2,0,0,0,0|2,0,0]=4 146 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,2,0,0,0,0|1,0,1]=4 147 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,2,0,0,0,0|1,0,1]=4 148 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,2,0,0,0,0|2,0,0]=4 149 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,2,0,0,0,0|2,0,0]=4 150 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,2,0,0,0,0|1,0,0]=3 151 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,2,0,0,0,0|1,0,0]=3 152 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,2,0,0,0,0|1,0,0]=3 153 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,2,0,0,0,0|2,0,0]=4 155 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,2,0,0,0,0|1,0,0]=3 156 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,2,0,0,0,0|1,0,0]=3 157 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,2,0,0,0,0|1,0,1]=4 158 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,2,0,0,0,0|1,0,0]=3 159 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,2,0,0,0,0|1,0,0]=3 160 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,2,0,0,0,0|1,0,0]=3 162 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,2,0,0,0,0|1,0,0]=3 163 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,2,0,0,0,0|1,0,0]=3 164 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,2,0,0,0,0|0,0,0]=2 165 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,2,0,0,0,0|0,0,0]=2 166 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,2,0,0,0,0|0,0,0]=2 167 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,2,0,0,0,0|0,0,0]=2 168 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,2,0,0,0,0|0,0,0]=2 169 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,2,0,0,0,0|2,0,0]=4 171 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,2,0,0,0,0|2,0,0]=4 172 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,2,0,0,0,0|2,0,0]=4 173 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,2,0,0,0,0|0,0,0]=2 174 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,2,0,0,0,0|0,0,0]=2 175 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,2,0,0,0,0|0,0,0]=2 176 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,2,0,0,0,0|0,0,2]=4 177 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,2,0,0,0,0|0,0,2]=4 178 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,2,0,0,0,0|0,0,2]=4 179 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,2,0,0,0,0|0,0,2]=4 180 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,2,0,0,0,0|1,0,0]=3 181 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,2,0,0,0,0|0,0,0]=2 182 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,2,0,0,0,0|0,0,0]=2 183 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,2,0,0,0,0|1,0,0]=3 184 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,2,0,0,0,0|0,0,0]=2 185 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,2,0,0,0,0|2,0,0]=4 186 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,2,0,0,0,0|2,0,0]=4 187 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,2,0,0,0,0|1,0,0]=3 188 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,2,0,0,0,0|1,0,0]=3 189 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,2,0,0,0,0|1,0,0]=3 190 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,2,0,0,0,0|0,0,0]=2 192 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,2,0,0,0,0|0,0,2]=4 193 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,2,0,0,0,0|0,0,2]=4 194 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,2,0,0,0,0|0,1,0]=3 195 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,2,0,0,0,0|0,1,0]=3 196 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,2,0,0,0,0|0,0,0]=2 197 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,2,0,0,0,0|0,0,0]=2 198 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,2,0,0,0,0|2,0,0]=4 199 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,2,0,0,0,0|2,0,0]=4 200 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,2,0,0,0,0|1,1,0]=4 201 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,2,0,0,0,0|1,1,0]=4 202 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,2,0,0,0,0|0,0,0]=2 203 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,2,0,0,0,0|0,0,0]=2 204 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,2,0,0,0,0|1,0,0]=3 205 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,2,0,0,0,0|1,0,0]=3 206 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,2,0,0,0,0|0,0,0]=2 207 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,2,0,0,0,0|0,0,0]=2 208 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,2,0,0,0,0|0,0,2]=4 209 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,2,0,0,0,0|0,0,2]=4 210 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,2,0,0,0,0|1,0,1]=4 211 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,2,0,0,0,0|2,0,0]=4 212 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,2,0,0,0,0|2,0,0]=4 213 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,2,0,0,0,0|2,0,0]=4 214 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,2,0,0,0,0|2,0,0]=4 215 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,2,0,0,0,0|1,0,0]=3 216 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,2,0,0,0,0|1,0,0]=3 217 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,2,0,0,0,0|1,0,0]=3 219 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,2,0,0,0,0|1,0,0]=3 220 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,2,0,0,0,0|0,0,1]=3 221 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,2,0,0,0,0|1,0,0]=3 222 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,2,0,0,0,0|1,0,0]=3 223 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,2,0,0,0,0|0,0,1]=3 224 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,2,0,0,0,0|0,0,1]=3 225 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,2,0,0,0,0|0,0,1]=3 226 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,2,0,0,0,0|0,0,1]=3 227 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,2,0,0,0,0|0,0,1]=3 228 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,2,0,0,0,0|0,0,1]=3 229 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,2,0,0,0,0|1,0,0]=3 230 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,2,0,0,0,0|1,0,0]=3 231 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,2,0,0,0,0|1,0,0]=3 232 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,2,0,0,0,0|0,0,1]=3 233 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,2,0,0,0,0|1,0,0]=3 234 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,2,0,0,0,0|1,0,0]=3 235 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,2,0,0,0,0|0,0,0]=2 236 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,2,0,0,0,0|0,0,0]=2 237 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,2,0,0,0,0|0,0,0]=2 238 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,2,0,0,0,0|0,0,0]=2 239 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,2,0,0,0,0|0,0,2]=4 240 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,2,0,0,0,0|0,0,2]=4 241 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,2,0,0,0,0|0,0,2]=4 242 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,2,0,0,0,0|0,0,2]=4 243 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,2,0,0,0,0|0,0,2]=4 244 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,2,0,0,0,0|0,0,2]=4 245 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,2,0,0,0,0|0,0,2]=4 246 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,2,0,0,0,0|1,0,0]=3 247 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,2,0,0,0,0|1,0,0]=3 248 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,2,0,0,0,0|1,0,0]=3 249 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,2,0,0,0,0|1,0,0]=3 250 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,2,0,0,0,0|1,0,0]=3 251 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,2,0,0,0,0|0,0,0]=2 252 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,2,0,0,0,0|0,0,0]=2 253 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,2,0,0,0,0|0,0,0]=2 254 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,2,0,0,0,0|0,1,0]=3 255 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,2,0,0,0,0|0,1,0]=3 256 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,2,0,0,0,0|0,1,0]=3 257 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,2,0,0,0,0|0,1,0]=3 258 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,2,0,0,0,0|2,0,0]=4 259 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,2,0,0,0,0|2,0,0]=4 260 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,2,0,0,0,0|2,0,0]=4 261 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,2,0,0,0,0|2,0,0]=4 262 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,2,0,0,0,0|2,0,0]=4 263 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,2,0,0,0,0|2,0,0]=4 264 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,2,0,0,0,0|2,0,0]=4 265 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,2,0,0,0,0|2,0,0]=4 266 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,2,0,0,0,0|2,0,0]=4 267 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,2,0,0,0,0|0,0,2]=4 268 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,2,0,0,0,0|0,0,2]=4 269 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,2,0,0,0,0|0,0,2]=4 270 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,2,0,0,0,0|0,0,2]=4 271 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,2,0,0,0,0|0,0,2]=4 272 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,2,0,0,0,0|1,0,0]=3 273 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,2,0,0,0,0|1,0,0]=3 274 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,2,0,0,0,0|1,0,0]=3 275 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,2,0,0,0,0|0,0,0]=2 276 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,2,0,0,0,0|0,0,0]=2 277 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,2,0,0,0,0|0,0,0]=2 278 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,2,0,0,0,0|0,0,0]=2 279 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,2,0,0,0,0|0,0,1]=3 280 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,2,0,0,0,0|0,0,0]=2 281 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,2,0,0,0,0|0,0,0]=2 282 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,2,0,0,0,0|0,0,0]=2 283 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,2,0,0,0,0|0,0,0]=2 284 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,2,0,0,0,0|0,0,0]=2 285 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,2,0,0,0,0|0,0,0]=2 286 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,2,0,0,0,0|0,0,0]=2 287 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,2,0,0,0,0|0,0,0]=2 288 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,2,0,0,0,0|1,0,0]=3 289 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,2,0,0,0,0|1,0,0]=3 290 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,2,0,0,0,0|0,0,0]=2 291 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,2,0,0,0,0|1,0,1]=4 292 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,2,0,0,0,0|1,0,1]=4 293 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,2,0,0,0,0|0,0,0]=2 294 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,2,0,0,0,0|0,0,0]=2 295 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,2,0,0,0,0|0,0,0]=2 296 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,2,0,0,0,0|0,0,0]=2 297 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,2,0,0,0,0|0,0,0]=2 298 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,2,0,0,0,0|0,0,2]=4 299 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,2,0,0,0,0|1,0,1]=4 300 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,2,0,0,0,0|1,0,1]=4 301 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,2,0,0,0,0|1,0,0]=3 302 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,2,0,0,0,0|0,0,0]=2 303 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,2,0,0,0,0|0,0,0]=2 304 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,2,0,0,0,0|0,1,0]=3 305 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,2,0,0,0,0|0,1,0]=3 306 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,2,0,0,0,0|1,0,0]=3 307 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,2,0,0,0,0|1,0,0]=3 308 B5R0.4 CNC(F)(F)F 34a_100102657272_200103152311 [0,2,0,0,0,0|2,0,0]=4 309 B5R0.4 CNC(F)(F)F 7a_106832991635_200000243211 [0,2,0,0,0,0|2,0,0]=4 310 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,2,0,0,0,0|1,0,1]=4 311 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,2,0,0,0,0|0,0,0]=2 312 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,2,0,0,0,0|0,0,0]=2 313 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,2,0,0,0,0|0,0,0]=2 314 B5R0.4 COC(F)(F)F 34a_100138415774_200103152311 [0,2,0,0,0,0|2,0,0]=4 315 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,2,0,0,0,0|0,1,0]=3 316 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,2,0,0,0,0|0,1,0]=3 317 B5R0.4 CSC(F)(F)F 62a_200000210301_200103152311 [0,2,0,0,0,0|2,0,0]=4 318 B5R0.4 CSC(F)(F)F 62a_200000243211_200000210301 [0,2,0,0,0,0|2,0,0]=4 319 B5R0.4 [13CH3]SC(F)(F)F 62a_200000243211_200025704644 [0,2,0,0,0,0|2,0,0]=4 320 B5R0.4 [13CH3]SC(F)(F)F 62a_200025704644_200103152311 [0,2,0,0,0,0|2,0,0]=4 321 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,2,0,0,0,0|0,0,2]=4 322 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,2,0,0,0,0|0,0,2]=4 323 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,2,0,0,0,0|0,0,1]=3 324 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,2,0,0,0,0|0,0,1]=3 325 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,2,0,0,0,0|1,0,0]=3 326 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,2,0,0,0,0|1,0,0]=3 327 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,2,0,0,0,0|0,0,2]=4 328 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,2,0,0,0,0|0,0,2]=4 329 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,2,0,0,0,0|0,0,2]=4 330 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,2,0,0,0,0|0,0,2]=4 331 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,2,0,0,0,0|0,0,0]=2 332 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,2,0,0,0,0|0,0,0]=2 333 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,2,0,0,0,0|0,0,1]=3 334 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,2,0,0,0,0|1,0,0]=3 335 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,2,0,0,0,0|1,0,0]=3 336 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,2,0,0,0,0|1,0,0]=3 337 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,2,0,0,0,0|1,0,0]=3 338 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,2,0,0,0,0|1,0,0]=3 339 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,2,0,0,0,0|0,0,0]=2 340 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,2,0,0,0,0|0,0,0]=2 341 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,2,0,0,0,0|1,0,0]=3 342 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,1,0,1,0,0|2,0,0]=4 343 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,1,0,1,0,0|2,0,0]=4 344 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,1,0,1,0,0|1,0,0]=3 345 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,1,0,1,0,0|1,0,0]=3 346 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,1,0,1,0,0|0,0,0]=2 347 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,1,0,1,0,0|0,1,0]=3 348 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,1,0,1,0,0|1,0,0]=3 349 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,1,0,1,0,0|0,1,0]=3