0 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,0,0,0,0,0|1,1,1]=3 1 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,0,0,0,0,0|1,1,1]=3 2 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,0,0,0,0,0|1,1,1]=3 3 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,0,0,0,0,0|1,1,1]=3 4 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|1,1,1]=3 12 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|1,1,1]=3 13 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,0,0,0,0,0|1,1,0]=2 29 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,0,0,0,0,0|1,1,0]=2 30 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,0,0,0,0,0|1,1,0]=2 31 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,0,0,0,0,0|1,1,0]=2 32 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,0,0,0,0,0|1,1,2]=4 33 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,0,0,0,0,0|1,1,2]=4 34 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,0,0,0,0,0|1,0,1]=2 35 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,0,0,0,0,0|1,0,1]=2 36 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,0,0,0,0|1,1,1]=3 37 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,0,0,0,0|0,0,2]=2 38 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,0,0,0,0|0,0,2]=2 39 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|4,0,0]=4 61 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|4,0,0]=4 65 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|1,1,1]=3 72 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|1,1,1]=3 73 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|1,1,1]=3 74 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|1,1,1]=3 75 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|1,1,1]=3 76 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|1,0,1]=2 77 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|1,0,1]=2 78 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|1,0,1]=2 79 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|1,0,1]=2 80 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,0,0,0,0|2,0,0]=2 92 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,0,0,0,0|2,0,0]=2 93 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,0,0,0,0|2,0,2]=4 96 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,0,0,0,0|2,0,2]=4 97 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,0,0,0,0|2,0,2]=4 98 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,0,0,0,0|2,0,2]=4 99 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,0,0,0,0|2,0,2]=4 100 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,0,0,0,0|2,0,2]=4 101 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 102 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 103 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 104 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 105 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,0,0,0,0|2,0,2]=4 107 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|2,1,1]=4 114 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|2,1,1]=4 115 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|3,0,0]=3 117 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|3,0,0]=3 118 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|3,0,0]=3 121 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|3,0,0]=3 123 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|3,0,0]=3 124 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,0,0,0,0,0|2,0,1]=3 126 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,0,0,0,0,0|2,0,1]=3 127 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,0,0,0,0|1,0,2]=3 128 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,0,0,0,0|1,0,2]=3 129 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,0,0,0,0|1,0,2]=3 130 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,0,0,0,0|4,0,0]=4 136 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,0,0,0,0|4,0,0]=4 137 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,0,0,0,0|4,0,0]=4 138 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,0,0,0,0|4,0,0]=4 139 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,0,0,0,0|2,1,0]=3 140 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,0,0,0,0,0|2,0,1]=3 141 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,0,0,0,0|1,0,2]=3 142 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,0,0,0,0|1,0,2]=3 143 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,0,0,0,0|1,1,1]=3 145 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,0,0,0,0|0,1,2]=3 146 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,0,0,0,0|2,1,0]=3 147 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,0,0,0,0,0|2,1,1]=4 148 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,0,0,0,0,0|2,1,1]=4 149 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,0,0,0,0|4,0,0]=4 150 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,0,0,0,0|2,1,0]=3 151 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,0,0,0,0|2,1,0]=3 152 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,0,0,0,0|2,0,0]=2 153 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,0,0,0,0|2,0,0]=2 154 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,0,0,0,0|2,0,0]=2 156 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,0,0,0,0|4,0,0]=4 157 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,0,0,0,0|3,0,0]=3 158 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,0,0,0,0|2,1,0]=3 159 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,0,0,0,0|2,1,0]=3 160 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,0,0,0,0|2,1,0]=3 161 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,0,0,0,0,0|1,0,1]=2 162 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,0,0,0,0,0|1,0,1]=2 163 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,0,0,0,0|0,0,2]=2 164 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,0,0,0,0|0,0,2]=2 165 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,0,0,0,0|4,0,0]=4 166 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,0,0,0,0|4,0,0]=4 167 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,0,0,0,0,0|2,0,1]=3 168 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,0,0,0,0|4,0,0]=4 169 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,0,0,0,0|4,0,0]=4 170 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,0,0,0,0|1,0,2]=3 171 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,0,0,0,0|1,0,2]=3 172 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,1,1]=4 178 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,1,1]=4 179 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,1,1]=4 180 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|2,0,0]=3 182 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,1,0]=4 198 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,1,0]=4 199 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|2,1,0]=4 200 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|2,1,0]=4 201 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|1,0,0]=2 218 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|1,0,0]=2 219 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|2,0,1]=4 220 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|1,0,2]=4 222 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|1,0,2]=4 223 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|1,0,2]=4 224 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|1,0,2]=4 225 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|1,0,2]=4 227 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,0]=3 231 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 232 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 234 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,1,0]=4 235 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,1,0]=4 236 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,1,0]=4 237 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,1,0]=4 238 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,1,0]=4 239 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,1,0]=4 240 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,1,0]=4 241 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,1,0]=4 242 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|2,0,0]=3 244 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|2,0,0]=3 245 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|2,1,0]=4 247 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|2,1,0]=4 252 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|2,0,0]=3 253 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|2,0,0]=3 254 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|2,1,0]=4 255 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|2,1,0]=4 256 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|2,1,0]=4 259 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|2,1,0]=4 260 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|2,1,0]=4 263 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|2,1,0]=4 264 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|1,1,1]=4 270 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|1,1,1]=4 271 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|1,1,1]=4 272 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|1,0,1]=3 273 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|1,0,1]=3 274 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|1,0,1]=3 275 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|1,0,1]=3 276 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,1,1]=4 279 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,1,1]=4 280 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,1,1]=4 281 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|1,0,1]=3 282 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|1,0,1]=3 283 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|1,0,1]=3 284 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|1,0,1]=3 285 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,0]=3 286 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,0]=3 287 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,0]=3 288 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,0]=3 289 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,0]=3 290 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|1,1,0]=3 291 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|1,1,0]=3 292 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|1,1,0]=3 293 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|1,0,0]=2 294 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|1,0,0]=2 295 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|1,0,0]=2 296 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|1,0,0]=2 297 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|3,0,0]=4 298 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|3,0,0]=4 299 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|3,0,0]=4 300 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|3,0,0]=4 301 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,0,0,0,0,0|1,0,2]=4 304 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,0,0,0,0,0|1,0,2]=4 305 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,0,0,0,0,0|1,0,2]=4 306 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,0,0,0,0,0|1,0,2]=4 307 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,1,1]=4 311 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|1,0,1]=3 314 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|1,0,1]=3 315 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,1,1]=4 323 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,1,1]=4 324 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,1,1]=4 325 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,1,1]=4 326 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,1,1]=4 327 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,0,1]=3 328 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,0,1]=3 329 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,0,1]=3 330 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,0,1]=3 331 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,0]=3 332 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,0,0]=3 334 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|2,0,1]=4 335 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|2,0,1]=4 337 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|2,0,1]=4 339 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,0]=3 340 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,0]=3 341 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 344 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 346 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 347 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,1]=4 350 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|1,0,2]=4 351 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|1,0,2]=4 352 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|1,0,2]=4 353 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|2,1,0]=4 354 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|2,1,0]=4 355 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|2,1,0]=4 356 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|2,1,0]=4 357 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|2,0,0]=3 359 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|2,0,0]=3 360 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|2,0,0]=3 361 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|1,1,1]=4 362 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|1,1,1]=4 363 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|1,1,1]=4 364 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|1,1,1]=4 365 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|1,1,1]=4 366 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|0,1,2]=4 367 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|2,1,0]=4 368 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|2,1,0]=4 369 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|2,1,0]=4 370 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|2,1,0]=4 371 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|2,1,0]=4 372 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|2,0,0]=3 373 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|2,0,0]=3 377 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|2,0,0]=3 379 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|1,0,1]=3 380 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|1,0,1]=3 381 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|1,0,1]=3 382 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|1,0,1]=3 383 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|0,0,2]=3 384 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|0,0,2]=3 385 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|2,0,0]=3 387 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|2,0,0]=3 388 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|2,0,0]=3 390 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|2,0,0]=3 392 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [1,0,0,0,0,0|2,0,1]=4 393 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [1,0,0,0,0,0|2,0,1]=4 394 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|3,0,0]=4 397 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|3,0,0]=4 398 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|1,1,1]=4 401 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|1,1,1]=4 402 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|1,1,1]=4 403 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|1,1,1]=4 404 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|2,1,0]=4 405 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|1,0,1]=3 406 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|1,0,1]=3 407 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|1,0,1]=3 408 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|1,0,1]=3 409 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|0,0,2]=3 410 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|0,0,2]=3 411 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|1,0,2]=4 414 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|1,0,2]=4 415 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|1,0,2]=4 416 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|1,0,2]=4 417 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|1,0,2]=4 418 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|0,1,2]=4 419 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|0,0,2]=3 420 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|0,0,2]=3 421 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|0,1,2]=4 422 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|0,1,2]=4 423 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|0,1,2]=4 424 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|0,1,2]=4 425 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|0,1,1]=3 426 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|0,1,1]=3 427 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|0,0,1]=2 428 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|0,0,1]=2 429 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,1]=4 430 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|1,1,1]=4 431 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|1,0,1]=3 432 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|1,0,1]=3 433 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|1,1,0]=3 434 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|1,1,0]=3 435 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,1,0]=3 436 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|0,0,1]=2 437 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|1,0,1]=3 438 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 439 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|1,0,1]=3 440 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 441 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|1,0,1]=3 442 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|0,1,1]=3 443 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|0,1,1]=3 444 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|0,1,1]=3 445 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|0,0,1]=2 446 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|0,0,1]=2 447 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|0,0,1]=2 448 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|0,0,1]=2 449 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 451 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 452 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 453 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|3,0,0]=4 455 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 456 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 457 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 458 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,1]=4 459 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,1]=4 460 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,1]=4 461 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|1,0,1]=3 462 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|1,0,1]=3 463 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|1,0,1]=3 464 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|1,0,1]=3 465 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|1,1,1]=4 466 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|1,1,0]=3 467 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|1,1,0]=3 468 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|1,1,0]=3 469 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|0,1,1]=3 470 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|1,0,1]=3 471 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|1,0,1]=3 472 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|1,0,1]=3 473 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|1,0,1]=3 474 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|1,0,1]=3 475 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|1,0,1]=3 476 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|0,0,1]=2 477 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [1,0,0,0,0,0|2,0,1]=4 479 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|0,0,1]=2 480 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|0,0,1]=2 481 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|1,0,1]=3 482 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|0,0,1]=2 483 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|0,0,1]=2 484 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [1,0,0,0,0,0|2,0,1]=4 485 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 491 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|1,0,1]=3 501 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|1,0,1]=3 502 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,1,0,0,0,0|1,1,1]=4 503 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|2,0,0]=3 504 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,1,0,0,0,0|3,0,0]=4 506 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,1,0,0,0,0|3,0,0]=4 507 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 508 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|3,0,0]=4 512 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|3,0,0]=4 513 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,0|1,0,0]=2 514 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,0|1,0,0]=2 515 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,0|1,1,1]=4 517 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,0|1,1,1]=4 518 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,0|1,0,1]=3 519 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,0|1,0,1]=3 520 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,0|2,0,0]=3 522 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|1,0,2]=4 523 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|1,0,2]=4 524 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,0]=2 529 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,0]=2 530 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,0]=2 531 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 534 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 535 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 538 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|2,0,0]=3 544 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,0|2,0,0]=3 550 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,0|2,0,0]=3 551 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|2,0,0]=3 552 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,0,0,0,0|2,0,0]=3 553 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,0]=2 556 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 557 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,1,0,0,0,0|3,0,0]=4 560 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,0|2,0,1]=4 566 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,0|2,0,1]=4 567 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|1,1,1]=4 568 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|1,1,1]=4 569 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|1,1,1]=4 570 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,1,0,0,0,0|1,1,1]=4 571 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,0|1,1,1]=4 572 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,0|1,1,1]=4 573 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,0|1,1,1]=4 574 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,0|1,0,1]=3 575 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,0|1,0,1]=3 576 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,0|2,0,0]=3 577 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,0|2,0,0]=3 578 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,0|1,0,0]=2 579 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,0|1,0,0]=2 580 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B7R0.3 C#CC(C)NCC=C 2230a_100000707721_100000210623 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.3 C#CC(C)NCC=C 34a_100000707721_100015514636 [0,1,0,0,0,0|2,0,1]=4 583 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,1,0,0,0,0|1,0,1]=3 584 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,1,0,0,0,0|1,0,1]=3 585 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,1,0,0,0,0|1,0,1]=3 588 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.3 C#CCSC(C)OC 62a_100000038162_100009879195 [0,1,0,0,0,0|1,1,1]=4 594 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,1,0,0,0,0|1,0,1]=3 597 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,1,0,0,0,0|1,0,1]=3 598 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,0,0,0,0|1,0,1]=3 600 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,1,0,0,0,0|1,0,1]=3 601 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|2,0,0]=3 602 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|1,1,0]=3 603 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|1,1,0]=3 604 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|1,1,0]=3 605 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|1,1,0]=3 606 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,1,0,0,0,0|3,0,0]=4 607 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,1,0,0,0,0|3,0,0]=4 608 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,1,0,0,0,0|3,0,0]=4 609 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.3 C=CCNC(C)C#N 2230a_100000737613_100000210623 [0,1,0,0,0,0|3,0,0]=4 611 B7R0.3 C=CCNC(C)C#N 2230a_100020586998_100000184139 [0,1,0,0,0,0|3,0,0]=4 612 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|2,0,0]=3 613 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|2,0,0]=3 614 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,0,0,0,0|3,0,0]=4 615 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,0,0,0,0|3,0,0]=4 616 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,1,0,0,0,0|3,0,0]=4 617 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|2,0,0]=3 619 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|2,0,0]=3 620 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,1,0,0,0,0|3,0,0]=4 621 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,1,0,0,0,0|3,0,0]=4 622 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,1,0,0,0,0|3,0,0]=4 623 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,1,0,0,0,0|3,0,0]=4 624 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [0,1,0,0,0,0|3,0,0]=4 625 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,1,0,0,0,0|2,0,1]=4 627 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|2,0,0]=3 629 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,1,0,0,0,0|1,1,0]=3 631 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,1,0,0,0,0|1,1,0]=3 632 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|1,1,1]=4 639 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|1,1,1]=4 640 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|2,0,0]=3 643 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,0,0,0,0|3,0,0]=4 646 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|1,0,2]=4 649 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|1,0,2]=4 650 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,0,0,0,0|2,0,1]=4 653 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|1,0,0]=2 654 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,1]=4 656 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|1,0,2]=4 657 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|1,0,2]=4 659 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|3,0,0]=4 660 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|3,0,0]=4 661 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|1,0,0]=2 663 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|1,0,2]=4 667 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,1,0,0,0,0|2,0,1]=4 669 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|1,0,0]=2 670 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|1,0,0]=2 671 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|2,0,1]=4 672 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|2,0,1]=4 673 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|1,0,2]=4 674 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|1,0,2]=4 675 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|3,0,0]=4 677 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|3,0,0]=4 679 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 681 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|1,1,1]=4 686 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|1,1,1]=4 687 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|1,1,1]=4 688 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|1,1,1]=4 689 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|1,1,1]=4 690 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|1,0,1]=3 691 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|1,0,1]=3 692 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|1,0,1]=3 693 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|1,0,1]=3 694 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|1,1,1]=4 700 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|1,1,1]=4 701 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|2,0,1]=4 703 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|1,1,1]=4 706 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|2,0,1]=4 707 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|1,1,1]=4 708 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|1,1,1]=4 709 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|1,1,1]=4 710 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|1,1,1]=4 711 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|1,1,1]=4 712 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|1,0,2]=4 723 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|1,1,1]=4 724 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|1,1,1]=4 725 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|1,1,1]=4 726 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|0,1,2]=4 727 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,1,0,0,0,0|1,1,1]=4 728 B7R0.3 COC(C)SCC#N 62a_100009879195_100011215382 [0,1,0,0,0,0|1,1,1]=4 729 B7R0.3 COC(C)SCC#N 62a_100011215382_100009879195 [0,1,0,0,0,0|1,1,1]=4 730 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|0,1,0]=2 731 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|0,1,0]=2 732 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,0,0,0,0|1,1,1]=4 733 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,0,0,0,0|1,1,1]=4 734 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|0,1,2]=4 735 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|0,1,2]=4 736 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,0,0,0,0|2,1,0]=4 737 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,0,0,0,0|2,1,0]=4 738 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|0,1,2]=4 739 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,1,0,0,0,0|2,1,0]=4 740 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,1,0,0,0,0|2,1,0]=4 741 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|2,0,0]=3 742 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|2,0,0]=3 744 B7R0.3 N#CC(F)SCC=O 62a_200000117898_200015260668 [0,1,0,0,0,0|3,0,0]=4 745 B7R0.3 N#CC(F)SCC=O 62a_200015260668_200000117898 [0,1,0,0,0,0|3,0,0]=4 746 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|2,0,0]=3 748 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,0,0,0,0|3,0,0]=4 749 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,0,0,0,0|3,0,0]=4 750 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,0,0,0,0|3,0,0]=4 751 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,0,0,0,0|3,0,0]=4 752 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,1,0,0,0,0|3,0,0]=4 753 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,1,0,0,0,0|3,0,0]=4 755 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,1,0,0,0,0|3,0,0]=4 756 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,1,0,0,0,0|3,0,0]=4 757 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,1,0,0,0,0|3,0,0]=4 758 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|2,0,1]=4 760 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,2]=4 761 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|3,0,0]=4 762 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|3,0,0]=4 763 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,1,0,0,0,0|2,0,0]=3 764 B7R0.5 CC(CC#N)N(C)C 2230a_100102631434_100009813641 [0,1,0,0,0,0|2,0,1]=4 765 B7R0.5 CC(CC#N)N(C)C 269982a_100102631434_100009813641 [0,1,0,0,0,0|2,0,1]=4 766 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|1,0,2]=4 767 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|1,0,2]=4 768 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|1,0,2]=4 769 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|1,0,2]=4 770 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|1,0,2]=4 771 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|1,0,2]=4 772 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|2,0,1]=4 774 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|2,0,1]=4 775 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|2,0,1]=4 776 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|3,0,0]=4 779 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|3,0,0]=4 783 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 784 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 785 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|3,0,0]=4 786 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|3,0,0]=4 787 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|3,0,0]=4 788 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|3,0,0]=4 789 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,0,0,0,0|1,1,1]=4 790 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,0,0,0,0|1,1,1]=4 791 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,1,0,0,0,0|1,1,1]=4 792 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,1,0,0,0,0|1,1,1]=4 793 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,1,0,0,0,0|2,0,1]=4 795 B7R0.7 C#CCN(C)CSC 2230a_100000225692_100011218213 [0,1,0,0,0,0|2,0,1]=4 796 B7R0.7 C#CCN(C)CSC 34a_100000225692_100011218213 [0,1,0,0,0,0|2,0,1]=4 797 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|1,1,1]=4 798 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,1,0,0,0,0|1,1,1]=4 799 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|1,1,0]=3 801 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|1,1,0]=3 802 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|1,1,0]=3 803 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|1,1,0]=3 804 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|3,0,0]=4 807 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|3,0,0]=4 808 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|3,0,0]=4 809 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|3,0,0]=4 810 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,1,0,0,0,0|3,0,0]=4 811 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,1,0,0,0,0|3,0,0]=4 812 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,1,0,0,0,0|3,0,0]=4 813 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,1,0,0,0,0|3,0,0]=4 814 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,1,0,0,0,0|3,0,0]=4 815 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,1,0,0,0,0|3,0,0]=4 816 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,1,0,0,0,0|2,1,0]=4 817 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,1,0,0,0,0|2,1,0]=4 818 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,1,0,0,0,0|2,0,0]=3 819 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,1,0,0,0,0|2,0,0]=3 820 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|1,1,0]=3 821 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|1,1,0]=3 822 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,1,0,0,0,0|1,1,0]=3 823 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,1,0,0,0,0|1,1,0]=3 824 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,0,0,0,0|2,1,0]=4 825 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,0,0,0,0|2,1,0]=4 826 B7R0.7 CC(CC#N)SCF 62a_100009813641_100015361967 [0,1,0,0,0,0|1,0,1]=3 827 B7R0.7 CC(CC#N)SCF 62a_100015361967_100009813641 [0,1,0,0,0,0|1,0,1]=3 828 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,0,0,0,0|1,1,1]=4 829 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|1,1,1]=4 830 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|0,0,2]=3 831 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|0,0,2]=3 832 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|1,1,1]=4 837 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|1,1,1]=4 838 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|1,1,1]=4 839 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|1,1,1]=4 840 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|1,1,1]=4 841 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|1,0,1]=3 842 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|1,0,1]=3 843 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|1,0,1]=3 844 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|1,0,1]=3 845 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|2,0,1]=4 846 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|2,0,1]=4 847 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|2,0,1]=4 848 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|1,1,1]=4 849 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|1,1,1]=4 850 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|1,1,1]=4 851 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|1,1,1]=4 852 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|1,1,1]=4 853 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|1,0,1]=3 854 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|1,0,1]=3 855 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|1,0,1]=3 856 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|1,0,1]=3 857 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|2,0,0]=3 858 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|2,0,0]=3 859 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|2,0,1]=4 861 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,0,0,0,0|2,0,1]=4 862 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|1,0,2]=4 863 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|3,0,0]=4 864 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|3,0,0]=4 865 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|2,0,1]=4 866 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|1,0,2]=4 868 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|1,0,2]=4 869 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|3,0,0]=4 870 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,0,0,0,0|1,1,1]=4 871 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|0,1,2]=4 872 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|2,1,0]=4 873 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|2,1,0]=4 874 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,0,0,0,0|1,0,1]=3 875 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,0,0,0,0|1,0,1]=3 876 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|0,0,2]=3 877 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|0,0,2]=3 878 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|2,0,0]=3 879 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|2,0,0]=3 880 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,1,0,0,0,0|2,0,1]=4 881 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|2,0,0]=3 882 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|2,0,0]=3 883 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,0,0,0,0|1,1,1]=4 884 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,0,0,0,0|2,0,0]=3 885 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,0,0,0,0|2,0,0]=3 886 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,0,0,0,0|3,0,0]=4 887 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,0,0,0,0|3,0,0]=4 888 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,0,0,0,0|3,0,0]=4 889 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,0,0,0,0|3,0,0]=4 890 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,0,0,0,0|2,1,0]=4 891 B7R0.7 CSCN(C)CC#N 2230a_100000748184_100011218213 [0,1,0,0,0,0|2,0,1]=4 892 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|1,0,2]=4 893 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|1,0,2]=4 894 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,0,0,0,0|2,0,1]=4 895 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,0,0,0,0|2,0,1]=4 896 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,0,0,0,0|1,0,2]=4 897 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,0,0,0,0|2,0,1]=4 899 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,1]=4 900 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|2,0,1]=4 901 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,1,0,0,0,0|3,0,0]=4 902 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|1,1,0]=3 903 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|1,1,0]=3 904 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|1,1,0]=3 905 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|1,1,0]=3 906 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|1,0,2]=4 907 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|1,0,2]=4 908 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|1,0,2]=4 909 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|1,0,2]=4 910 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|1,0,2]=4 911 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|1,1,1]=4 914 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|1,1,1]=4 915 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|2,0,1]=4 916 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|2,0,1]=4 917 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|2,0,1]=4 918 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|2,0,1]=4 919 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|2,0,1]=4 920 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|2,0,1]=4 921 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|2,0,1]=4 922 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|2,0,1]=4 926 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|2,0,1]=4 927 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|1,0,2]=4 928 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,1,0,0,0,0|1,1,0]=3 929 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,1,0,0,0,0|1,1,0]=3 930 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,1,0,0,0,0|1,1,1]=4 931 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|1,1,1]=4 934 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|1,1,1]=4 935 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 937 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,1,0,0,0,0|2,1,0]=4 939 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,1,0,0,0,0|2,1,0]=4 940 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,1,0,0,0,0|1,1,1]=4 942 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,1,0,0,0,0|2,1,0]=4 943 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,1,0,0,0,0|2,1,0]=4 944 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,1,0,0,0,0|2,1,0]=4 945 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,1,0,0,0,0|2,1,0]=4 946 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,1,0,0,0,0|2,1,0]=4 947 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,1,0,0,0,0|3,0,0]=4 948 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,1,0,0,0,0|2,1,0]=4 949 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 950 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 951 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,1,0,0,0,0|1,1,1]=4 952 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,1,0,0,0,0|1,1,1]=4 953 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,1,0,0,0,0|1,1,1]=4 954 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,1,0,0,0,0|1,1,1]=4 955 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,1,0,0,0,0|1,1,1]=4 956 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,1,0,0,0,0|1,1,1]=4 957 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,1,0,0,0,0|1,1,1]=4 958 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,1,0,0,0,0|1,1,1]=4 959 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,1,0,0,0,0|3,0,0]=4 960 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,1,0,0,0,0|2,0,0]=3 963 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,1,0,0,0,0|2,0,0]=3 964 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,0,0,0,0|3,0,0]=4 970 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,0,0,0,0|3,0,0]=4 972 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,0,0,0,0|3,0,0]=4 974 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,0,0,0,0|3,0,0]=4 975 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,0,0,0,0|3,0,0]=4 976 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,0,0,0,0|3,0,0]=4 977 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,0,0,0,0|3,0,0]=4 978 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,0,0,0,0|3,0,0]=4 979 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,0,0,0,0|3,0,0]=4 980 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,0,0,0,0|3,0,0]=4 981 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,0,0,0,0|2,1,0]=4 982 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,0,0,0,0|2,1,0]=4 983 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,0,0,0,0|2,1,0]=4 984 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,0,0,0,0|2,1,0]=4 985 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,0,0,0,0|2,1,0]=4 986 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,0,0,0,0|2,1,0]=4 987 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|2,0,1]=4 988 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|2,0,1]=4 990 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|1,1,1]=4 992 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|1,1,1]=4 993 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|1,1,1]=4 994 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|1,1,1]=4 995 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|1,0,1]=3 996 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|1,0,1]=3 997 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|1,0,1]=3 998 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|1,0,1]=3 999 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,0,0,0,0|2,0,1]=4 1000 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|2,0,1]=4 1003 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,1,0,0,0,0|2,0,0]=3 1004 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,1,0,0,0,0|2,0,0]=3 1005 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,1,0,0,0,0|2,0,0]=3 1006 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,1,0,0,0,0|2,0,1]=4 1007 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,1,0,0,0,0|2,0,1]=4 1008 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,0,0,0,0|3,0,0]=4 1009 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|3,0,0]=4 1010 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,1,0,0,0,0|2,1,0]=4 1011 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,1,0,0,0,0|2,1,0]=4 1012 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,1,0,0,0,0|2,1,0]=4 1013 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,1,0,0,0,0|2,1,0]=4 1014 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,1,0,0,0,0|2,1,0]=4 1015 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,1,0,0,0,0|2,1,0]=4 1016 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,1,0,0,0,0|2,1,0]=4 1017 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,1,0,0,0,0|2,1,0]=4 1018 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,1,0,0,0,0|2,1,0]=4 1019 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,0,0,0,0|2,1,0]=4 1020 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,0,0,0,0|2,1,0]=4 1021 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,0,0,0,0|2,1,0]=4 1022 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|2,1,0]=4 1023 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,0,0,0,0|3,0,0]=4 1024 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|3,0,0]=4 1025 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,1,0,0,0,0|2,1,0]=4 1026 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,1,0,0,0,0|2,1,0]=4 1027 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,0,0,1,0,0|3,0,0]=4 1028 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,0,0,1,0,0|2,0,0]=3 1029 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,1]=4 1030 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,1]=4 1031 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,1]=4 1032 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,1]=4 1033 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,1]=4 1034 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,1]=4 1035 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|1,0,2]=4 1036 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|1,0,2]=4 1037 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|1,0,2]=4 1038 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|1,0,2]=4 1039 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|1,1,1]=4 1040 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|1,0,2]=4 1041 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|1,0,2]=4 1042 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|1,0,2]=4 1043 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|1,1,1]=4 1044 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|1,1,1]=4 1045 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|1,1,1]=4 1046 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|0,1,2]=4 1047 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|0,2,1]=4 1048 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|0,1,2]=4 1049 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|1,0,1]=3 1050 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|1,0,1]=3 1051 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|0,0,2]=3 1052 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,0,0,1,0,0|2,0,0]=3 1053 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,1]=4 1054 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,1]=4 1055 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|1,0,2]=4 1056 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|1,0,2]=4 1057 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|1,0,2]=4 1058 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|1,1,1]=4 1059 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|1,1,1]=4 1060 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|0,2,1]=4 1061 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|0,1,2]=4 1062 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|1,0,1]=3 1063 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|1,0,1]=3 1064 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|0,0,2]=3 1065 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|3,0,0]=4 1066 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1067 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1068 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 1069 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1070 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1071 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 1072 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|3,0,0]=4 1073 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,1,0,0|3,0,0]=4 1074 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,1,0,0|3,0,0]=4 1075 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,1,0,0|3,0,0]=4 1076 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,1,0,0|3,0,0]=4 1077 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,1,0,0|3,0,0]=4 1078 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,1,0,0|3,0,0]=4 1079 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1080 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1081 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|2,0,1]=4 1082 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1083 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1084 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|2,0,1]=4 1085 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|2,0,1]=4 1086 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|2,0,1]=4 1087 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|2,0,1]=4 1088 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|2,0,1]=4 1089 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|3,0,0]=4 1090 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|3,0,0]=4 1091 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|3,0,0]=4 1092 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|3,0,0]=4 1093 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,0,0,1,0,0|3,0,0]=4 1094 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 1095 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 1096 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|3,0,0]=4 1097 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 1098 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|3,0,0]=4 1099 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 1100 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,0,1,0,0|2,1,0]=4 1101 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,0,1,0,0|2,1,0]=4 1102 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,0,1,0,0|2,1,0]=4 1103 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,0,1,0,0|2,1,0]=4 1104 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,0,1,0,0|2,1,0]=4 1105 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|3,0,0]=4 1106 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|3,0,0]=4 1107 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,0,1,0,0|2,1,0]=4 1108 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,0,1,0,0|2,1,0]=4 1109 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|3,0,0]=4 1110 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|3,0,0]=4 1111 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|2,1,0]=4 1112 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|2,1,0]=4 1113 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|2,0,0]=3 1114 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 1115 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 1116 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,0,1,0,0|2,1,0]=4 1117 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,0,1,0,0|2,1,0]=4 1118 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|3,0,0]=4 1119 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,0,1,0,0|2,1,0]=4 1120 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|3,0,0]=4 1121 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|3,0,0]=4 1122 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|2,1,0]=4 1123 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|2,1,0]=4 1124 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,0,0,1,0,0|2,0,0]=3 1125 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,0,0,1,0,0|2,0,0]=3 1126 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,0,1,0,0|3,0,0]=4 1127 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,0,1,0,0|3,0,0]=4 1128 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,0,1,0,0|3,0,0]=4 1129 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,0,1,0,0|3,0,0]=4 1130 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,0,0,1,0,0|2,0,1]=4 1131 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,0,0,1,0,0|1,0,2]=4 1132 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,0,0,1,0,0|2,1,0]=4 1133 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,0,0,1,0,0|2,1,0]=4 1134 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,0,0,1,0,0|0,0,0]=1 1135 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,0,0,1,0,0|2,0,0]=3 1136 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,0,0,1,0,0|2,0,0]=3 1137 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,0,0,1,0,0|2,0,1]=4 1138 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,0,0,1,0,0|1,0,2]=4 1139 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,0,0,1,0,0|0,0,0]=1 1140 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,0,1,0,0|3,0,0]=4 1141 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,0,1,0,0|3,0,0]=4 1142 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,0,0,1,0,0|2,1,0]=4 1143 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,0,0,1,0,0|2,1,0]=4 1144 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,0,1,0,0|3,0,0]=4 1145 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,0,0,1,0,0|2,1,0]=4 1146 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,0,1,0,0|3,0,0]=4 1147 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,0,0,1,0,0|2,1,0]=4 1148 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,0,0,1,0,0|2,1,0]=4 1149 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,0,0,1,0,0|2,1,0]=4 1150 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 1151 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|2,0,1]=4 1152 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|1,1,1]=4 1153 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|1,1,1]=4 1154 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 1155 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|2,0,1]=4 1156 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|2,0,1]=4 1157 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,0,1,0,0|1,0,2]=4 1158 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|1,1,1]=4 1159 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|1,1,1]=4 1160 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,0,1,0,0|2,0,1]=4 1161 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,0,1,0,0|2,0,1]=4 1162 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,0,1,0,0|1,1,1]=4 1163 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,0,1,0,0|1,1,1]=4 1164 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,0,0,1,0,0|3,0,0]=4 1165 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,0,0,1,0,0|2,1,0]=4 1166 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,0,1,0,0|2,0,1]=4 1167 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,0,1,0,0|2,0,1]=4 1168 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,0,0,1,0,0|3,0,0]=4 1169 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,0,1,0,0|1,1,1]=4 1170 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,0,1,0,0|1,1,1]=4 1171 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,0,0,1,0,0|2,1,0]=4 1172 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 1173 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,0]=3 1174 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|0,1,0]=3 1175 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|0,0,0]=2 1176 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|0,0,0]=2 1177 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,1]=4 1178 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,1]=4 1179 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,1]=4 1180 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 1181 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 1182 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 1183 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 1184 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 1185 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 1186 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [2,0,0,0,0,0|2,0,0]=4 1187 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 1188 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 1189 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 1190 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 1191 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 1192 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 1193 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,0]=3 1194 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,0]=3 1195 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,0]=3 1196 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|0,1,0]=3 1197 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|0,1,0]=3 1198 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|0,0,0]=2 1199 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|0,0,0]=2 1200 B4R0.2 C#CCSC 62a_100000038162_200000210301 [2,0,0,0,0,0|0,0,2]=4 1201 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [2,0,0,0,0,0|0,0,2]=4 1202 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1203 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1204 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1205 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1206 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1207 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|0,1,1]=4 1208 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|0,1,1]=4 1209 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|0,1,1]=4 1210 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,0,1]=3 1211 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,0,1]=3 1212 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,0,1]=3 1213 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,0,1]=3 1214 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1215 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 1216 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1217 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,1,1]=4 1218 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,1,1]=4 1219 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,1,1]=4 1220 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|0,0,1]=3 1221 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|0,0,1]=3 1222 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|0,0,1]=3 1223 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|0,0,1]=3 1224 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1225 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 1226 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1227 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1228 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1229 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1230 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1231 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,1]=4 1232 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 1233 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,1]=4 1234 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,1]=4 1235 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 1236 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|1,0,1]=4 1237 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|1,0,1]=4 1238 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|0,1,0]=3 1239 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,1,0]=4 1240 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,1,0]=4 1241 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,1,0]=4 1242 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|0,1,1]=4 1243 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,1]=4 1244 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,1]=4 1245 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,1]=4 1246 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,1]=4 1247 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,1]=4 1248 B4R0.2 CSCC#N 62a_100011215382_200000210301 [2,0,0,0,0,0|1,0,1]=4 1249 B4R0.2 CSCC#N 62a_200000210301_100011215382 [2,0,0,0,0,0|1,0,1]=4 1250 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|0,0,0]=2 1251 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|0,0,0]=2 1252 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|1,0,0]=3 1253 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|1,0,0]=3 1254 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|0,0,1]=3 1255 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|0,0,1]=3 1256 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|1,0,1]=4 1257 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|1,0,1]=4 1258 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|1,0,1]=4 1259 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|1,0,1]=4 1260 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 1261 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,1]=4 1262 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,1]=4 1263 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,1,0]=4 1264 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,1,0]=4 1265 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [2,0,0,0,0,0|1,0,1]=4 1266 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [2,0,0,0,0,0|1,0,1]=4 1267 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|0,0,0]=2 1268 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|0,0,0]=2 1269 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|1,0,0]=3 1270 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|1,0,0]=3 1271 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|0,0,1]=3 1272 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|0,0,1]=3 1273 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|0,0,2]=4 1274 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1275 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1277 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|2,0,0]=4 1278 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1279 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1280 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,1,0,0,0,0|2,0,0]=4 1281 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,1,0,0,0,0|2,0,0]=4 1282 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|0,0,2]=4 1283 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|0,0,2]=4 1284 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|0,1,1]=4 1285 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|0,1,1]=4 1286 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,1,1]=4 1287 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,0]=2 1288 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,0]=2 1289 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,1,0]=3 1290 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 1291 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,0]=3 1292 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,1,0]=3 1293 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,0]=3 1294 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1295 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1296 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,0]=3 1297 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,0]=3 1298 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,0]=2 1299 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 1300 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|2,0,0]=4 1301 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 1302 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|2,0,0]=4 1303 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|2,0,0]=4 1304 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1305 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1306 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|1,0,0]=3 1307 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|1,0,0]=3 1308 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|1,0,0]=3 1309 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,0]=3 1310 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,0]=3 1311 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|1,0,0]=3 1312 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,1,0,0,0,0|2,0,0]=4 1313 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|1,0,0]=3 1314 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,0]=3 1315 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,1,0]=3 1316 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,0]=3 1317 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|0,1,1]=4 1318 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,1,0,0,0,0|1,0,1]=4 1319 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,1,0,0,0,0|2,0,0]=4 1320 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,1,0,0,0,0|2,0,0]=4 1321 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,1,0,0,0,0|2,0,0]=4 1322 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,1,0,0,0,0|2,0,0]=4 1324 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,1,0,0,0,0|1,0,1]=4 1326 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,1,0,0,0,0|1,0,1]=4 1327 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,1,0,0,0,0|1,0,1]=4 1328 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,1,0,0,0,0|1,0,1]=4 1329 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,1,0,0,0,0|1,0,1]=4 1330 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|2,0,0]=4 1331 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1332 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,1,0,0,0,0|2,0,0]=4 1333 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1334 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,1,0,0,0,0|2,0,0]=4 1335 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1337 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|1,0,0]=3 1338 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|1,0,0]=3 1339 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|1,0,0]=3 1340 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|1,0,0]=3 1341 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|1,0,0]=3 1342 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|1,0,0]=3 1343 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|1,0,0]=3 1344 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|0,0,2]=4 1345 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|0,0,2]=4 1346 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|0,1,1]=4 1347 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|0,1,1]=4 1348 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|1,0,1]=4 1349 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|1,0,1]=4 1350 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|1,0,1]=4 1351 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|1,0,1]=4 1352 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,1,0,0,0,0|1,0,1]=4 1353 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|0,0,0]=2 1354 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|0,0,0]=2 1355 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1356 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|1,0,1]=4 1357 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1358 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|0,0,2]=4 1359 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|0,0,2]=4 1360 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|0,0,2]=4 1361 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|0,0,2]=4 1362 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|0,0,0]=2 1363 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|1,0,1]=4 1364 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|1,0,1]=4 1365 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|1,0,1]=4 1366 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|0,0,2]=4 1367 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|2,0,0]=4 1369 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,1,0,0,0,0|1,0,1]=4 1370 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,1,0,0,0,0|1,0,1]=4 1371 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|0,0,0]=2 1372 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|0,0,0]=2 1373 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1374 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|1,0,1]=4 1375 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|0,0,2]=4 1376 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|0,0,2]=4 1377 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|2,0,0]=4 1378 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,1,0,0,0,0|2,0,0]=4 1379 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1380 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1381 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,1]=4 1382 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,1]=4 1383 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1384 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,1]=4 1385 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1386 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,1]=4 1387 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,1]=4 1388 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1389 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1390 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,1]=4 1391 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,1]=4 1392 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,1]=4 1393 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,1]=4 1394 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,1]=4 1395 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,1]=4 1396 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,1]=4 1397 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|2,0,0]=4 1398 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|2,0,0]=4 1399 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|0,0,2]=4 1400 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|0,0,2]=4 1401 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|0,0,2]=4 1402 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|2,0,0]=4 1403 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|2,0,0]=4 1404 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|2,0,0]=4 1405 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|2,0,0]=4 1406 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|0,1,1]=4 1407 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|0,1,1]=4 1408 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1409 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1410 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|2,0,0]=4 1411 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|2,0,0]=4 1412 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|2,0,0]=4 1413 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|2,0,0]=4 1414 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|2,0,0]=4 1415 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|2,0,0]=4 1416 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1417 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|2,0,0]=4 1418 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1419 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|2,0,0]=4 1420 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|2,0,0]=4 1421 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|2,0,0]=4 1422 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1424 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|2,0,0]=4 1425 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|2,0,0]=4 1426 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|2,0,0]=4 1427 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|2,0,0]=4 1428 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1429 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|2,0,0]=4 1430 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|2,0,0]=4 1431 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|2,0,0]=4 1432 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|2,0,0]=4 1433 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|2,0,0]=4 1434 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|2,0,0]=4 1435 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|2,0,0]=4 1436 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|2,0,0]=4 1437 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1438 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|2,0,0]=4 1439 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|2,0,0]=4 1440 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|2,0,0]=4 1441 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1442 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|2,0,0]=4 1443 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,1,0,0,0,0|1,0,1]=4 1444 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,1,0,0,0,0|1,0,1]=4 1445 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,1,0,0,0,0|1,0,1]=4 1446 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,1,0,0,0,0|1,0,1]=4 1447 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,1,0,0,0,0|1,0,1]=4 1448 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1449 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,1,0,0,0,0|1,0,1]=4 1452 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [1,1,0,0,0,0|1,0,1]=4 1453 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,1,0,0,0,0|1,0,1]=4 1454 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [1,1,0,0,0,0|1,0,1]=4 1455 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,1,0,0,0,0|1,0,1]=4 1456 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [1,1,0,0,0,0|1,0,1]=4 1457 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|1,1,0]=4 1458 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|1,1,0]=4 1459 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|1,0,1]=4 1460 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|1,0,1]=4 1461 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,1,0,0,0,0|1,0,1]=4 1462 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,1,0,0,0,0|1,0,1]=4 1463 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,1,0,0,0,0|2,0,0]=4 1464 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,1,0,0,0,0|2,0,0]=4 1465 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,1,0,0,0,0|2,0,0]=4 1466 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,1,0,0,0,0|2,0,0]=4 1467 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,1,0,0,0,0|2,0,0]=4 1468 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,1,0,0,0,0|2,0,0]=4 1469 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,1,0,0,0,0|2,0,0]=4 1470 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|1,1,0]=4 1471 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|1,1,0]=4 1472 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|1,1,0]=4 1473 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|1,1,0]=4 1474 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|1,1,0]=4 1475 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|1,0,0]=3 1476 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|1,0,0]=3 1477 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|1,0,0]=3 1478 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|1,0,0]=3 1479 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,1,0,0,0,0|2,0,0]=4 1480 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,1,0,0,0,0|2,0,0]=4 1481 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|1,1,0]=4 1482 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|1,1,0]=4 1483 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,1,0,0,0,0|1,1,0]=4 1484 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,1,0,0,0,0|1,0,0]=3 1485 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,1,0,0,0,0|1,0,0]=3 1486 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,1,0,0,0,0|1,0,0]=3 1487 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,1,0,0,0,0|1,0,0]=3 1488 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,1,0,0,0,0|1,0,1]=4 1489 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,1,0,0,0,0|2,0,0]=4 1490 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,1,0,0,0,0|1,1,0]=4 1491 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,1,0,0,0,0|1,0,0]=3 1492 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,1,0,0,0,0|1,0,1]=4 1493 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|2,0,0]=4 1494 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|2,0,0]=4 1495 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,1,0,0,0,0|1,0,0]=3 1496 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,1,0,0,0,0|1,0,1]=4 1497 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,1,0,0,0,0|1,0,1]=4 1498 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,1,0,0,0,0|2,0,0]=4 1499 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,1,0,0,0,0|2,0,0]=4 1500 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,1,0,0,0,0|1,1,0]=4 1501 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,1,0,0,0,0|1,1,0]=4 1502 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,1,0,0,0,0|1,0,0]=3 1503 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,1,0,0,0,0|1,0,0]=3 1504 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 1505 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,1,0,0,0,0|2,0,0]=4 1506 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 1507 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,1,0,0,0,0|1,1,0]=4 1508 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,1,0,0,0,0|1,1,0]=4 1509 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,1,0,0,0,0|1,1,0]=4 1510 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1511 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,1,0,0,0,0|1,0,0]=3 1512 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,1,0,0,0,0|1,0,0]=3 1513 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,1,0,0,0,0|1,0,0]=3 1514 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|1,0,1]=4 1515 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|1,0,1]=4 1516 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|1,0,1]=4 1517 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|1,0,1]=4 1518 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|1,0,1]=4 1519 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|1,0,1]=4 1520 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,1,0,0,0,0|1,0,1]=4 1521 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,1,0,0,0,0|1,0,1]=4 1522 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,1,0,0,0,0|1,0,1]=4 1523 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,1,0,0,0,0|1,0,1]=4 1524 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,1,0,0,0,0|1,0,1]=4 1525 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,1,0,0,0,0|1,0,1]=4 1526 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,1,0,0,0,0|1,0,1]=4 1527 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,1,0,0,0,0|1,0,1]=4 1528 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,1,0,0,0,0|1,0,1]=4 1529 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,1,0,0,0,0|1,0,1]=4 1530 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|1,0,0]=3 1531 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,1,0,0,0,0|1,0,1]=4 1532 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|1,0,0]=3 1533 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|1,0,0]=3 1534 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,1,0,0,0,0|1,0,1]=4 1535 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,1,0,0,0,0|1,0,1]=4 1536 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|1,0,1]=4 1537 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|1,0,1]=4 1538 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,1,0,0,0,0|1,0,1]=4 1539 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,1,0,0,0,0|1,0,1]=4 1540 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,1,0,0,0,0|1,0,1]=4 1541 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,1,0,0,0,0|1,0,1]=4 1542 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,1,0,0,0,0|1,0,1]=4 1543 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,1,0,0,0,0|1,0,1]=4 1544 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,1,0,0,0,0|1,0,1]=4 1545 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,1,0,0,0,0|1,0,1]=4 1546 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,1,0,0,0,0|1,0,1]=4 1547 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,1,0,0,0,0|1,0,1]=4 1548 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,1,0,0,0,0|1,0,1]=4 1549 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|0,0,2]=4 1550 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|0,0,2]=4 1551 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,1,0,0,0,0|2,0,0]=4 1552 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,1,0,0,0,0|2,0,0]=4 1553 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,1,0,0,0,0|2,0,0]=4 1554 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,1,0,0,0,0|2,0,0]=4 1555 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,1,0,0,0,0|2,0,0]=4 1556 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1557 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|2,0,0]=4 1558 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|2,0,0]=4 1559 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|2,0,0]=4 1560 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1561 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1562 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1563 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,1,0,0,0,0|1,0,1]=4 1564 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,1,0,0,0,0|1,0,1]=4 1565 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,1,0,0,0,0|1,0,1]=4 1566 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,1,0,0,0,0|1,0,1]=4 1567 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,1,0,0,0,0|1,0,1]=4 1568 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,1,0,0,0,0|1,0,1]=4 1569 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|1,0,0]=3 1570 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|1,0,0]=3 1571 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1572 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,1,0,0,0,0|0,0,2]=4 1573 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,1,0,0,0,0|0,0,2]=4 1574 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,1,0,0,0,0|0,0,2]=4 1575 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,1,0,0,0,0|0,0,2]=4 1576 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,1,0,0,0,0|0,0,2]=4 1577 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,1,0,0,0,0|0,0,2]=4 1578 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,1,0,0,0,0|2,0,0]=4 1579 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,1,0,0,0,0|2,0,0]=4 1580 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|0,1,0]=3 1581 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|0,1,0]=3 1582 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,1,0,0,0,0|2,0,0]=4 1583 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,1,0,0,0,0|2,0,0]=4 1584 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,1,0,0,0,0|1,0,1]=4 1585 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,1,0,0,0,0|1,0,1]=4 1586 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|0,0,0]=2 1587 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|0,0,0]=2 1588 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,1,0,0,0,0|1,0,1]=4 1589 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,1,0,0,0,0|1,0,1]=4 1590 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,1,0,0,0,0|0,0,2]=4 1591 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,1,0,0,0,0|0,0,2]=4 1592 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1593 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,1,0,0,0,0|0,0,2]=4 1594 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,1,0,0,0,0|0,0,2]=4 1595 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,1,0,0,0,0|1,0,1]=4 1596 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,1,0,0,0,0|1,0,1]=4 1597 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [1,1,0,0,0,0|1,0,1]=4 1598 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [1,1,0,0,0,0|1,0,1]=4 1599 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,1,0,0,0,0|1,0,1]=4 1600 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,1,0,0,0,0|1,0,1]=4 1601 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,1,0,0,0,0|1,0,1]=4 1602 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,1,0,0,0,0|0,0,2]=4 1603 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,1,0,0,0,0|0,0,2]=4 1604 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,1,0,0,0,0|1,0,1]=4 1605 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,1,0,0,0,0|1,0,1]=4 1606 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [1,1,0,0,0,0|1,0,1]=4 1607 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [1,1,0,0,0,0|1,0,1]=4 1608 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|0,0,0]=2 1609 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|0,0,0]=2 1610 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,1,0,0,0,0|1,0,1]=4 1611 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,1,0,0,0,0|1,0,1]=4 1612 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,1,0,0,0,0|0,0,2]=4 1613 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,1,0,0,0,0|0,0,2]=4 1614 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,1,0,0,0,0|2,0,0]=4 1615 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,1,0,0,0,0|1,0,1]=4 1616 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,1,0,0,0,0|1,0,1]=4 1617 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [1,1,0,0,0,0|1,0,1]=4 1618 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [1,1,0,0,0,0|1,0,1]=4 1619 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,1,0,0,0,0|2,0,0]=4 1620 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,1,0,0,0,0|2,0,0]=4 1621 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|2,0,0]=4 1622 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|2,0,0]=4 1623 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|2,0,0]=4 1624 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|2,0,0]=4 1625 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|2,0,0]=4 1626 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,1,0,0,0,0|2,0,0]=4 1627 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|2,0,0]=4 1628 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|2,0,0]=4 1629 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|2,0,0]=4 1630 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|2,0,0]=4 1631 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,1,0,0,0,0|0,0,2]=4 1632 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,1,0,0,0,0|0,0,2]=4 1633 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,1,0,0,0,0|1,0,1]=4 1634 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,1,0,0,0,0|1,0,1]=4 1635 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|0,0,0]=2 1636 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|0,0,0]=2 1637 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,1,0,0,0,0|1,0,1]=4 1638 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,1,0,0,0,0|1,0,1]=4 1639 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,1,0,0,0,0|0,0,2]=4 1640 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,1,0,0,0,0|0,0,2]=4 1641 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [1,1,0,0,0,0|1,0,1]=4 1642 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [1,1,0,0,0,0|1,0,1]=4 1643 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [1,1,0,0,0,0|0,0,2]=4 1644 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [1,1,0,0,0,0|0,0,2]=4 1645 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [1,1,0,0,0,0|0,0,2]=4 1646 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [1,1,0,0,0,0|0,0,2]=4 1647 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|0,1,1]=4 1648 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|0,1,1]=4 1649 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|0,1,1]=4 1650 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|0,1,1]=4 1651 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [1,1,0,0,0,0|1,0,1]=4 1652 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [1,1,0,0,0,0|1,0,1]=4 1653 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [1,1,0,0,0,0|1,0,1]=4 1654 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [1,1,0,0,0,0|1,0,1]=4 1655 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [1,1,0,0,0,0|1,0,1]=4 1656 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [1,1,0,0,0,0|1,0,1]=4 1657 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [1,1,0,0,0,0|1,1,0]=4 1658 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,1,0,0,0,0|1,0,1]=4 1659 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|1,0,1]=4 1660 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|1,0,1]=4 1661 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|1,0,1]=4 1662 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|0,1,1]=4 1663 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|0,1,1]=4 1664 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|0,0,1]=3 1665 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|0,0,1]=3 1666 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|0,0,1]=3 1667 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|0,0,1]=3 1668 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,1,0,0,0,0|1,0,1]=4 1669 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [1,1,0,0,0,0|1,1,0]=4 1670 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [1,1,0,0,0,0|1,0,1]=4 1671 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [1,1,0,0,0,0|1,0,1]=4 1672 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [1,1,0,0,0,0|1,0,1]=4 1673 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [1,1,0,0,0,0|1,0,1]=4 1674 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [1,1,0,0,0,0|1,0,1]=4 1675 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [1,1,0,0,0,0|1,0,1]=4 1676 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,1,1]=4 1677 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,1,1]=4 1678 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,1,1]=4 1679 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,1,1]=4 1680 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|1,0,1]=4 1681 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|1,0,1]=4 1682 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|1,0,1]=4 1683 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|1,0,1]=4 1684 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,1]=4 1685 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,1]=4 1686 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,1]=4 1687 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,1]=4 1688 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|0,1,1]=4 1689 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|0,1,1]=4 1690 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|0,0,1]=3 1691 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|0,0,1]=3 1692 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|0,0,1]=3 1693 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|0,0,1]=3 1694 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|1,0,1]=4 1695 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|1,0,1]=4 1696 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 1697 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 1698 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,1,0,0,0,0|1,0,1]=4 1699 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|0,1,1]=4 1700 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [1,1,0,0,0,0|1,1,0]=4 1701 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [1,1,0,0,0,0|1,1,0]=4 1702 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [1,1,0,0,0,0|1,1,0]=4 1703 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [1,1,0,0,0,0|1,1,0]=4 1704 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [1,1,0,0,0,0|1,1,0]=4 1705 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [1,1,0,0,0,0|1,1,0]=4 1706 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|0,0,1]=3 1707 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|0,0,1]=3 1708 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,1,0,0,0,0|1,0,1]=4 1709 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [1,1,0,0,0,0|1,1,0]=4 1710 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [1,1,0,0,0,0|1,1,0]=4 1711 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [1,1,0,0,0,0|1,1,0]=4 1712 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [1,1,0,0,0,0|1,1,0]=4 1713 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [1,1,0,0,0,0|1,1,0]=4 1714 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [1,1,0,0,0,0|1,1,0]=4 1715 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|0,0,1]=3 1716 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|0,0,1]=3 1717 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,2,0,0,0,0|1,1,0]=4 1718 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,2,0,0,0,0|1,1,0]=4 1719 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 1721 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 1722 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,2,0,0,0,0|1,1,0]=4 1737 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,2,0,0,0,0|1,1,0]=4 1738 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,2,0,0,0,0|0,1,0]=3 1739 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,2,0,0,0,0|0,1,0]=3 1740 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 1741 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 1742 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,2,0,0,0,0|2,0,0]=4 1743 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,2,0,0,0,0|2,0,0]=4 1744 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,2,0,0,0,0|1,1,0]=4 1745 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,2,0,0,0,0|1,1,0]=4 1746 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|2,0,0]=4 1747 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|2,0,0]=4 1748 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,2,0,0,0,0|1,0,0]=3 1749 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,2,0,0,0,0|1,0,0]=3 1750 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,2,0,0,0,0|1,0,1]=4 1751 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,2,0,0,0,0|1,0,1]=4 1752 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|2,0,0]=4 1754 B8R0.5 CC(C)SC(C)CC#N 62a_100000210206_100009813641 [0,2,0,0,0,0|1,0,1]=4 1755 B8R0.5 CC(C)SC(C)CC#N 62a_100009813641_100000210206 [0,2,0,0,0,0|1,0,1]=4 1756 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,2,0,0,0,0|0,0,2]=4 1757 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,2,0,0,0,0|0,0,2]=4 1758 B8R0.5 CC(CN(C)C)SCF 62a_100015361967_100020606517 [0,2,0,0,0,0|2,0,0]=4 1759 B8R0.5 CC(CN(C)C)SCF 62a_100020606517_100015361967 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|1,0,0]=3 1765 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|1,0,0]=3 1766 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|1,0,0]=3 1767 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1768 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1769 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1770 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|2,0,0]=4 1771 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,2,0,0,0,0|1,0,1]=4 1772 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,2,0,0,0,0|1,0,1]=4 1773 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|2,0,0]=4 1774 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|2,0,0]=4 1775 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|2,0,0]=4 1776 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|2,0,0]=4 1777 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|2,0,0]=4 1778 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|0,0,0]=2 1779 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|0,0,0]=2 1780 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,2,0,0,0,0|1,0,1]=4 1781 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,2,0,0,0,0|1,0,1]=4 1782 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,2,0,0,0,0|2,0,0]=4 1783 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,2,0,0,0,0|2,0,0]=4 1784 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|1,0,0]=3 1785 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|1,0,0]=3 1786 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,2,0,0,0,0|2,0,0]=4 1787 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|2,0,0]=4 1788 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,2,0,0,0,0|2,0,0]=4 1789 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,2,0,0,0,0|2,0,0]=4 1790 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|2,0,0]=4 1792 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|2,0,0]=4 1793 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,2,0,0,0,0|2,0,0]=4 1796 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,2,0,0,0,0|2,0,0]=4 1797 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,2,0,0,0,0|1,1,0]=4 1798 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|1,1,0]=4 1799 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,2,0,0,0,0|1,1,0]=4 1800 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,2,0,0,0,0|1,1,0]=4 1801 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,2,0,0,0,0|1,1,0]=4 1802 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,2,0,0,0,0|1,1,0]=4 1803 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|1,0,1]=4 1804 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,2,0,0,0,0|1,0,1]=4 1805 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,2,0,0,0,0|2,0,0]=4 1806 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,2,0,0,0,0|1,0,0]=3 1808 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|1,0,0]=3 1809 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|2,0,0]=4 1811 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|1,0,0]=3 1812 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 1813 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,2,0,0,0,0|2,0,0]=4 1821 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,2,0,0,0,0|2,0,0]=4 1822 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,2,0,0,0,0|2,0,0]=4 1823 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,2,0,0,0,0|2,0,0]=4 1824 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,2,0,0,0,0|1,0,0]=3 1829 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,2,0,0,0,0|1,0,0]=3 1830 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,2,0,0,0,0|1,0,0]=3 1831 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,2,0,0,0,0|0,1,0]=3 1832 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,2,0,0,0,0|0,1,0]=3 1833 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,2,0,0,0,0|0,1,0]=3 1834 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,2,0,0,0,0|1,0,0]=3 1835 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,2,0,0,0,0|1,0,0]=3 1836 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,2,0,0,0,0|1,0,0]=3 1838 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,2,0,0,0,0|2,0,0]=4 1839 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|2,0,0]=4 1841 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|2,0,0]=4 1843 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|2,0,0]=4 1845 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,1]=4 1846 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|1,0,1]=4 1847 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|1,0,1]=4 1848 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 1849 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 1850 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 1851 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.19 C=CC(C)SC(C)OC 62a_100011215867_100009879195 [0,2,0,0,0,0|1,1,0]=4 1854 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,0]=3 1855 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,0]=3 1856 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|2,0,0]=4 1857 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|2,0,0]=4 1858 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|2,0,0]=4 1859 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|2,0,0]=4 1862 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 1864 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|1,0,0]=3 1867 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|1,0,0]=3 1868 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|1,0,0]=3 1869 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 1870 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 1871 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 1872 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 1883 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 1884 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|2,0,0]=4 1885 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|2,0,0]=4 1886 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 1887 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 1889 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|1,0,0]=3 1894 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|1,0,0]=3 1895 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|1,0,0]=3 1896 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|1,0,0]=3 1897 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|0,1,0]=3 1898 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|0,0,0]=2 1899 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|0,0,0]=2 1900 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|0,0,0]=2 1901 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|0,0,0]=2 1902 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,2,0,0,0,0|1,0,0]=3 1904 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,2,0,0,0,0|2,0,0]=4 1920 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,2,0,0,0,0|1,0,0]=3 1925 B8R0.24 CC(CC(F)(F)F)S[13CH3] 62a_200000065471_200025704644 [0,2,0,0,0,0|1,0,1]=4 1926 B8R0.24 CC(CC(F)(F)F)S[13CH3] 62a_200025704644_200000065471 [0,2,0,0,0,0|1,0,1]=4 1927 B8R0.24 CSC(C)CC(F)(F)F 62a_200000065471_200000210301 [0,2,0,0,0,0|1,0,1]=4 1928 B8R0.24 CSC(C)CC(F)(F)F 62a_200000210301_200000065471 [0,2,0,0,0,0|1,0,1]=4 1929 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,2,0,0,0,0|0,1,0]=3 1930 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,2,0,0,0,0|1,0,0]=3 1931 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,2,0,0,0,0|1,0,0]=3 1932 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|1,0,0]=3 1933 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|1,0,0]=3 1934 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|1,0,0]=3 1940 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,2,0,0,0,0|1,0,0]=3 1941 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,2,0,0,0,0|1,0,0]=3 1942 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,2,0,0,0,0|0,1,0]=3 1943 B8R0.34 CSC(C)(C)CN(C)C 270004a_100102631434_100009845794 [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,2,0,0,0,0|1,0,1]=4 1945 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.1 C#CCC(C)OCSC 34a_100000685586_100011218213 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.1 C#CCO[C@H](C)CC=C 34a_100000731007_100000184674 [0,2,0,0,0,0|1,1,0]=4 1948 B8R0.1 C#CCO[C@H](C)CC=C 7a_100000731007_100000038162 [0,2,0,0,0,0|1,1,0]=4 1949 B8R0.1 C#CCSC(C)CC#N 62a_100000038162_100009813641 [0,2,0,0,0,0|1,0,1]=4 1950 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,2,0,0,0,0|1,0,1]=4 1951 B8R0.1 C#CCSC(C)CCO 62a_100000038162_100009893172 [0,2,0,0,0,0|0,0,2]=4 1952 B8R0.1 C#CCSC(C)COC 62a_100000038162_100000765312 [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,2,0,0,0,0|1,0,1]=4 1955 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,2,0,0,0,0|1,1,0]=4 1956 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,2,0,0,0,0|1,1,0]=4 1957 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [0,2,0,0,0,0|1,1,0]=4 1958 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [0,2,0,0,0,0|1,1,0]=4 1959 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|1,1,0]=4 1961 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|1,1,0]=4 1962 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,2,0,0,0,0|1,1,0]=4 1963 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,2,0,0,0,0|1,1,0]=4 1964 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [0,2,0,0,0,0|2,0,0]=4 1968 B8R0.1 C=CCN(C)CCSC 2230a_100000225617_100000751147 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.1 C=CCN(C)CCSC 2230a_100000686725_100000210623 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.1 C=CCN(C)CCSC 269982a_100000225617_100000212216 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.1 C=CCN(C)CCSC 269982a_100000686725_100000210623 [0,2,0,0,0,0|2,0,0]=4 1972 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,2,0,0,0,0|1,1,0]=4 1977 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,2,0,0,0,0|1,1,0]=4 1978 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,2,0,0,0,0|1,0,0]=3 1979 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,2,0,0,0,0|1,1,0]=4 1982 B8R0.1 C=CCOC(C)/C=C/C 34a_200102604097_100015514636 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.1 C=CCOC(C)C#CC 34a_100011216543_100015514636 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,2,0,0,0,0|1,1,0]=4 1990 B8R0.1 C=CCO[C@H](C)CC=C 34a_100000731007_100015514636 [0,2,0,0,0,0|1,1,0]=4 1991 B8R0.1 C=CCO[C@H](C)CC=C 7a_100000731007_100015514636 [0,2,0,0,0,0|1,1,0]=4 1992 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,2,0,0,0,0|1,1,0]=4 1993 B8R0.1 C=CCSC(C)CC#N 62a_100000210623_100009813641 [0,2,0,0,0,0|1,0,1]=4 1994 B8R0.1 C=CCSC(C)CC#N 62a_100009813641_100000210623 [0,2,0,0,0,0|1,0,1]=4 1995 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,2,0,0,0,0|1,0,1]=4 1996 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,2,0,0,0,0|1,0,1]=4 1997 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,2,0,0,0,0|0,0,2]=4 1998 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,2,0,0,0,0|0,0,2]=4 1999 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,2,0,0,0,0|1,1,0]=4 2000 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,2,0,0,0,0|1,1,0]=4 2001 B8R0.1 C=CC[C@@H](C)OCC#N 7a_100000731007_100011215382 [0,2,0,0,0,0|1,1,0]=4 2002 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,2,0,0,0,0|1,0,1]=4 2003 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,2,0,0,0,0|1,0,1]=4 2004 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,2,0,0,0,0|1,1,0]=4 2005 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,2,0,0,0,0|1,1,0]=4 2006 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,2,0,0,0,0|1,1,0]=4 2007 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,2,0,0,0,0|1,1,0]=4 2008 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,2,0,0,0,0|1,1,0]=4 2009 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,2,0,0,0,0|1,1,0]=4 2010 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,2,0,0,0,0|1,0,0]=3 2011 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,2,0,0,0,0|1,0,0]=3 2012 B8R0.1 CC(CC#N)SCC#N 62a_100009813641_100011215382 [0,2,0,0,0,0|1,0,1]=4 2013 B8R0.1 CC(CC#N)SCC#N 62a_100011215382_100009813641 [0,2,0,0,0,0|1,0,1]=4 2014 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,2,0,0,0,0|1,0,1]=4 2015 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.1 CC(CC#N)SCCF 62a_100009813641_100011217306 [0,2,0,0,0,0|1,0,1]=4 2017 B8R0.1 CC(CC#N)SCCF 62a_100011217306_100009813641 [0,2,0,0,0,0|1,0,1]=4 2018 B8R0.1 CC(CC#N)SCCO 62a_100000211926_100009813641 [0,2,0,0,0,0|1,0,1]=4 2019 B8R0.1 CC(CC#N)SCCO 62a_100009813641_100000211926 [0,2,0,0,0,0|1,0,1]=4 2020 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,2,0,0,0,0|1,0,0]=3 2021 B8R0.1 CC(CCO)SCC#N 62a_100009893172_100011215382 [0,2,0,0,0,0|0,0,2]=4 2022 B8R0.1 CC(CCO)SCC#N 62a_100011215382_100009893172 [0,2,0,0,0,0|0,0,2]=4 2023 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|1,0,0]=3 2024 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|1,0,0]=3 2025 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,2,0,0,0,0|0,0,2]=4 2026 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,2,0,0,0,0|0,0,2]=4 2027 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,2,0,0,0,0|0,0,2]=4 2028 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,2,0,0,0,0|0,0,2]=4 2029 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|1,0,1]=4 2030 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|1,0,1]=4 2031 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|1,0,1]=4 2032 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|1,0,1]=4 2033 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|1,0,0]=3 2034 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|1,0,1]=4 2035 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|1,0,0]=3 2036 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|1,0,0]=3 2037 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,0,1]=4 2038 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,2,0,0,0,0|1,0,1]=4 2039 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,2,0,0,0,0|1,0,1]=4 2040 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|1,0,0]=3 2041 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|1,0,0]=3 2042 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,2,0,0,0,0|1,0,1]=4 2043 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,2,0,0,0,0|1,0,1]=4 2044 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,2,0,0,0,0|1,0,1]=4 2045 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,2,0,0,0,0|1,0,1]=4 2046 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,2,0,0,0,0|1,0,1]=4 2047 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,2,0,0,0,0|1,0,1]=4 2048 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|1,0,1]=4 2049 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|1,0,1]=4 2050 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|1,0,1]=4 2051 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|1,0,1]=4 2052 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|1,0,1]=4 2053 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|1,0,1]=4 2054 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|1,0,1]=4 2057 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,2,0,0,0,0|1,0,1]=4 2058 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,2,0,0,0,0|1,0,1]=4 2059 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,2,0,0,0,0|1,0,1]=4 2060 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,2,0,0,0,0|1,0,1]=4 2061 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,2,0,0,0,0|0,0,2]=4 2062 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,2,0,0,0,0|0,0,2]=4 2063 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,2,0,0,0,0|2,0,0]=4 2065 B8R0.1 CN(CC=O)CCC#N 2230a_100000184479_200015260668 [0,2,0,0,0,0|2,0,0]=4 2066 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|2,0,0]=4 2068 B8R0.1 COCC(C)SCC#N 62a_100000765312_100011215382 [0,2,0,0,0,0|2,0,0]=4 2069 B8R0.1 COCC(C)SCC#N 62a_100011215382_100000765312 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,2,0,0,0,0|0,1,0]=3 2071 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,2,0,0,0,0|0,1,0]=3 2072 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,2,0,0,0,0|2,0,0]=4 2074 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,2,0,0,0,0|2,0,0]=4 2075 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,2,0,0,0,0|2,0,0]=4 2076 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|1,1,0]=4 2079 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|1,1,0]=4 2080 B8R0.1 COCSC(C)CC#N 62a_100000766300_100009813641 [0,2,0,0,0,0|1,0,1]=4 2081 B8R0.1 COCSC(C)CC#N 62a_100009813641_100000766300 [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,2,0,0,0,0|0,0,2]=4 2083 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,2,0,0,0,0|0,0,2]=4 2084 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|0,1,0]=3 2087 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|2,0,0]=4 2088 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,2,0,0,0,0|0,1,0]=3 2089 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,2,0,0,0,0|2,0,0]=4 2090 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,2,0,0,0,0|0,0,2]=4 2091 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,2,0,0,0,0|1,0,0]=3 2092 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,2,0,0,0,0|1,0,0]=3 2093 B8R0.1 CSCN[C@@H](C)CC#N 2230a_100016994482_100011218213 [0,2,0,0,0,0|1,0,1]=4 2094 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,2,0,0,0,0|0,0,2]=4 2095 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,2,0,0,0,0|0,0,2]=4 2096 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,2,0,0,0,0|1,0,1]=4 2097 B8R0.1 CSCSC(C)CC#N 62a_100009813641_100011218213 [0,2,0,0,0,0|1,0,1]=4 2098 B8R0.1 CSCSC(C)CC#N 62a_100011218213_100009813641 [0,2,0,0,0,0|1,0,1]=4 2099 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,2,0,0,0,0|0,0,2]=4 2100 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,2,0,0,0,0|0,0,2]=4 2101 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,2,0,0,0,0|1,0,1]=4 2102 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,2,0,0,0,0|1,0,1]=4 2105 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|2,0,0]=4 2107 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|1,1,0]=4 2108 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|1,0,0]=3 2109 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|2,0,0]=4 2111 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|2,0,0]=4 2112 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|2,0,0]=4 2113 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|2,0,0]=4 2114 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|2,0,0]=4 2115 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.3 C=CCN(C)C(C)OC 269982a_100000225617_100009879195 [0,2,0,0,0,0|1,1,0]=4 2120 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,2,0,0,0,0|1,1,0]=4 2121 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,2,0,0,0,0|1,1,0]=4 2122 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 34a_100015455354_100015361967 [0,2,0,0,0,0|1,1,0]=4 2123 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 7a_100015455354_100015361967 [0,2,0,0,0,0|1,1,0]=4 2124 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|1,0,0]=3 2127 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|1,0,0]=3 2128 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|1,0,1]=4 2129 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,2,0,0,0,0|1,0,1]=4 2130 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|1,0,1]=4 2131 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|0,0,2]=4 2132 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,2,0,0,0,0|2,0,0]=4 2134 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [0,2,0,0,0,0|1,1,0]=4 2137 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [0,2,0,0,0,0|1,1,0]=4 2138 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,2,0,0,0,0|1,0,1]=4 2139 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,2,0,0,0,0|1,0,1]=4 2140 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,2,0,0,0,0|1,1,0]=4 2147 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,2,0,0,0,0|1,1,0]=4 2148 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,2,0,0,0,0|1,1,0]=4 2153 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [0,2,0,0,0,0|1,1,0]=4 2155 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|2,0,0]=4 2162 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,2,0,0,0,0|2,0,0]=4 2166 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,2,0,0,0,0|2,0,0]=4 2167 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [0,2,0,0,0,0|1,1,0]=4 2168 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [0,2,0,0,0,0|1,1,0]=4 2169 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|1,0,0]=3 2170 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|1,0,0]=3 2171 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|1,0,0]=3 2172 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|1,0,1]=4 2176 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|1,0,1]=4 2177 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|1,0,1]=4 2178 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|1,0,1]=4 2179 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,2,0,0,0,0|2,0,0]=4 2181 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|1,0,0]=3 2182 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|1,0,0]=3 2183 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,2,0,0,0,0|0,1,0]=3 2185 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|0,1,0]=3 2186 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|2,0,0]=4 2187 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|2,0,0]=4 2188 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|2,0,0]=4 2190 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,2,0,0,0,0|2,0,0]=4 2191 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|2,0,0]=4 2195 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|2,0,0]=4 2196 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|2,0,0]=4 2197 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,0]=3 2198 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,0]=3 2199 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,0]=3 2200 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,2,0,0,0,0|1,0,0]=3 2201 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,2,0,0,0,0|1,0,0]=3 2202 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,2,0,0,0,0|2,0,0]=4 2204 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,2,0,0,0,0|2,0,0]=4 2205 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,2,0,0,0,0|2,0,0]=4 2206 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,2,0,0,0,0|2,0,0]=4 2207 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,2,0,0,0,0|2,0,0]=4 2208 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|2,0,0]=4 2209 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,2,0,0,0,0|2,0,0]=4 2210 B8R0.9 C#CC(C)NCC(=O)N 2230a_100000707721_100000747473 [0,2,0,0,0,0|1,0,1]=4 2211 B8R0.9 C#CC(C)NCC(=O)N 34a_100000707721_100000187820 [0,2,0,0,0,0|1,0,1]=4 2212 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,2,0,0,0,0|1,0,1]=4 2213 B8R0.9 C#CC(C)NCC(=O)[O-] 34a_100000707721_100020667443 [0,2,0,0,0,0|1,0,1]=4 2214 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,2,0,0,0,0|1,0,1]=4 2215 B8R0.9 C#CC(C)SCC(=O)N 62a_200000035995_100000747473 [0,2,0,0,0,0|1,0,1]=4 2216 B8R0.9 C#CC(C)SCC(=O)[O-] 62a_200000035995_100020667443 [0,2,0,0,0,0|1,0,1]=4 2217 B8R0.9 C#C[C@@H](C)OCC(=O)N 34a_100009815206_100000187820 [0,2,0,0,0,0|1,0,1]=4 2218 B8R0.9 C#C[C@@H](C)OCC(=O)N 7a_100009815206_100000187820 [0,2,0,0,0,0|1,0,1]=4 2219 B8R0.9 C#C[C@@H](C)OCC(=O)[O-] 34a_100009815206_100020667443 [0,2,0,0,0,0|1,0,1]=4 2220 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,2,0,0,0,0|2,0,0]=4 2221 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,2,0,0,0,0|2,0,0]=4 2222 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,2,0,0,0,0|2,0,0]=4 2223 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,2,0,0,0,0|2,0,0]=4 2224 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,2,0,0,0,0|2,0,0]=4 2225 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,2,0,0,0,0|2,0,0]=4 2226 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,2,0,0,0,0|1,1,0]=4 2227 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,2,0,0,0,0|1,1,0]=4 2228 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,2,0,0,0,0|2,0,0]=4 2229 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,2,0,0,0,0|2,0,0]=4 2230 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,2,0,0,0,0|2,0,0]=4 2232 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,2,0,0,0,0|2,0,0]=4 2233 B8R0.9 C=C(F)CSC(C)OC 62a_100000042424_100009879195 [0,2,0,0,0,0|1,1,0]=4 2234 B8R0.9 C=C(F)CSC(C)OC 62a_100009879195_100000042424 [0,2,0,0,0,0|1,1,0]=4 2235 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,2,0,0,0,0|1,0,1]=4 2236 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,2,0,0,0,0|1,0,1]=4 2237 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,2,0,0,0,0|1,0,1]=4 2238 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,2,0,0,0,0|1,0,1]=4 2239 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,2,0,0,0,0|1,0,1]=4 2240 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,2,0,0,0,0|2,0,0]=4 2241 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,2,0,0,0,0|2,0,0]=4 2242 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,2,0,0,0,0|2,0,0]=4 2243 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000711301_100000184139 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000737613_100000747473 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.9 CC(C#N)OCC(=O)N 34a_100011218135_100000187820 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.9 CC(C#N)OCC(=O)[O-] 34a_100011218135_100020667443 [0,2,0,0,0,0|2,0,0]=4 2248 B8R0.9 CC(C#N)SCC(=O)N 62a_100000703298_100000747473 [0,2,0,0,0,0|2,0,0]=4 2249 B8R0.9 CC(C#N)SCC(=O)N 62a_100000747473_100000703298 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100000703298_100020667443 [0,2,0,0,0,0|2,0,0]=4 2251 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100020667443_100000703298 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|1,0,1]=4 2253 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|1,0,1]=4 2254 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,2,0,0,0,0|2,0,0]=4 2256 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|2,0,0]=4 2258 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|2,0,0]=4 2259 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,2,0,0,0,0|2,0,0]=4 2260 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,2,0,0,0,0|2,0,0]=4 2261 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,2,0,0,0,0|2,0,0]=4 2262 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|1,0,0]=3 2263 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|1,0,0]=3 2264 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,2,0,0,0,0|1,0,0]=3 2265 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,2,0,0,0,0|1,0,0]=3 2266 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,2,0,0,0,0|1,0,0]=3 2267 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,2,0,0,0,0|1,0,0]=3 2268 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,2,0,0,0,0|1,0,0]=3 2269 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,2,0,0,0,0|1,0,0]=3 2270 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,0]=3 2271 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,2,0,0,0,0|2,0,0]=4 2272 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|1,0,0]=3 2273 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,2,0,0,0,0|1,0,0]=3 2274 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,2,0,0,0,0|1,0,0]=3 2275 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,2,0,0,0,0|1,0,0]=3 2276 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,2,0,0,0,0|1,0,0]=3 2277 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,2,0,0,0,0|1,0,0]=3 2278 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,2,0,0,0,0|2,0,0]=4 2279 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,2,0,0,0,0|2,0,0]=4 2280 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,2,0,0,0,0|2,0,0]=4 2281 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,2,0,0,0,0|2,0,0]=4 2282 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,2,0,0,0,0|2,0,0]=4 2283 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,2,0,0,0,0|2,0,0]=4 2284 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,2,0,0,0,0|2,0,0]=4 2285 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,2,0,0,0,0|2,0,0]=4 2286 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,2,0,0,0,0|2,0,0]=4 2287 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,2,0,0,0,0|2,0,0]=4 2288 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,2,0,0,0,0|2,0,0]=4 2289 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,2,0,0,0,0|2,0,0]=4 2290 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,2,0,0,0,0|2,0,0]=4 2291 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,2,0,0,0,0|1,0,0]=3 2292 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,2,0,0,0,0|0,1,0]=3 2293 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,2,0,0,0,0|0,1,0]=3 2294 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,2,0,0,0,0|0,1,0]=3 2295 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,2,0,0,0,0|0,1,0]=3 2296 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,2,0,0,0,0|0,1,0]=3 2297 B8R0.9 COC(C)SC[N+](=O)[O-] 62a_100009879195_100000761209 [0,2,0,0,0,0|1,1,0]=4 2298 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,2,0,0,0,0|0,1,0]=3 2299 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,2,0,0,0,0|0,1,0]=3 2300 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,2,0,0,0,0|0,1,0]=3 2301 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,2,0,0,0,0|0,1,0]=3 2302 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|1,0,1]=4 2303 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|1,0,1]=4 2304 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,2,0,0,0,0|2,0,0]=4 2305 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,2,0,0,0,0|2,0,0]=4 2306 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,2,0,0,0,0|2,0,0]=4 2307 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,2,0,0,0,0|2,0,0]=4 2308 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,2,0,0,0,0|2,0,0]=4 2309 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [0,2,0,0,0,0|1,0,1]=4 2311 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [0,2,0,0,0,0|1,0,1]=4 2312 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,2,0,0,0,0|1,0,1]=4 2313 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,2,0,0,0,0|1,0,1]=4 2314 B8R0.11 C=CCNC(CC)CC 2230a_100000199018_100000210623 [0,2,0,0,0,0|2,0,0]=4 2315 B8R0.11 C=CCNC(CC)CC 270004a_100020586998_100000210860 [0,2,0,0,0,0|2,0,0]=4 2316 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,2,0,0,0,0|2,0,0]=4 2317 B8R0.11 C=CCOC(CC)CC 7a_100000688536_100015514636 [0,2,0,0,0,0|2,0,0]=4 2318 B8R0.11 C=CCSC(CC)CC 62a_100000210505_100000210623 [0,2,0,0,0,0|2,0,0]=4 2319 B8R0.11 C=CCSC(CC)CC 62a_100000210623_100000210505 [0,2,0,0,0,0|2,0,0]=4 2320 B8R0.11 C=C[C@@H](CO)NCC=O 2230a_100016989147_200015260668 [0,2,0,0,0,0|1,0,1]=4 2321 B8R0.11 C=C[C@@H](CO)NCC=O 34a_100016989147_200009817547 [0,2,0,0,0,0|1,0,1]=4 2322 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,2,0,0,0,0|1,0,0]=3 2323 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,2,0,0,0,0|1,0,0]=3 2324 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,2,0,0,0,0|1,0,0]=3 2325 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,2,0,0,0,0|1,0,0]=3 2326 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|1,0,1]=4 2327 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|1,0,1]=4 2328 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|1,0,1]=4 2329 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|1,0,1]=4 2330 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|1,0,0]=3 2331 B8R0.11 NCC(CN)OCC=O 34a_100000031598_200009817547 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,2,0,0,0,0|2,0,0]=4 2333 B8R0.11 O=CCOC(CCl)CCl 7a_100000737055_200015260668 [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.11 O=CCOC(CF)CF 34a_100000032261_200009817547 [0,2,0,0,0,0|2,0,0]=4 2335 B8R0.11 O=CCOC(CF)CF 7a_100000032261_200015260668 [0,2,0,0,0,0|2,0,0]=4 2336 B8R0.11 O=CCO[C@@H](CF)CCl 34a_100015614560_200009817547 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.11 O=CCO[C@@H](CF)CCl 7a_100015614560_200015260668 [0,2,0,0,0,0|2,0,0]=4 2338 B8R0.25 C#CC(C)(C)NCC=O 34a_100000054563_200009817547 [0,2,0,0,0,0|1,0,1]=4 2339 B8R0.25 C#CC(C)(C)OCC=O 34a_100000189450_200009817547 [0,2,0,0,0,0|1,0,1]=4 2340 B8R0.25 C#CC(C)(C)OCC=O 7a_100000189450_200015260668 [0,2,0,0,0,0|1,0,1]=4 2341 B8R0.25 C#CC(C)(C)SCC=O 62a_100000038118_200015260668 [0,2,0,0,0,0|1,0,1]=4 2342 B8R0.25 C#CC(C)(C)SCC=O 62a_200015260668_100000038118 [0,2,0,0,0,0|1,0,1]=4 2343 B8R0.25 C=CC(C)(C)OCC=O 34a_100011215311_200009817547 [0,2,0,0,0,0|1,0,1]=4 2344 B8R0.25 C=CC(C)(C)OCC=O 7a_100011215311_200015260668 [0,2,0,0,0,0|1,0,1]=4 2345 B8R0.25 C=CCNC(C)(C)CC 2230a_100000211385_100000210623 [0,2,0,0,0,0|2,0,0]=4 2346 B8R0.25 C=CCOC(C)(C)CC 7a_100000210230_100015514636 [0,2,0,0,0,0|2,0,0]=4 2347 B8R0.25 C=CCSC(C)(C)CC 62a_100000032637_100000210623 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.25 C=CCSC(C)(C)CC 62a_100000210623_100000032637 [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.25 CC(C)(C#N)OCC=O 34a_200015195151_200009817547 [0,2,0,0,0,0|2,0,0]=4 2350 B8R0.25 CC(C)(C#N)SCC=O 62a_100011162410_200015260668 [0,2,0,0,0,0|2,0,0]=4 2351 B8R0.25 CC(C)(C#N)SCC=O 62a_200015260668_100011162410 [0,2,0,0,0,0|2,0,0]=4 2352 B8R0.25 CC(C)(CCl)OCC=O 7a_100000764493_200015260668 [0,2,0,0,0,0|2,0,0]=4 2353 B8R0.25 CC(C)(CO)NCC=O 2230a_100000210608_200015260668 [0,2,0,0,0,0|2,0,0]=4 2354 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,2,0,0,0,0|1,0,0]=3 2355 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,2,0,0,0,0|1,0,0]=3 2356 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,2,0,0,0,0|1,0,0]=3 2357 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,2,0,0,0,0|1,0,0]=3 2358 B8R0.25 CCNCC(C)(C)SC 270004a_100015525214_100009845794 [0,2,0,0,0,0|1,0,1]=4 2359 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|2,0,0]=4 2360 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|2,0,0]=4 2361 B8R0.14 CN(CC=O)C(C)(C)C 269982a_100011215553_200015260668 [0,2,0,0,0,0|2,0,0]=4 2362 B8R0.15 C=CCC(OC)C(C)C 34a_200011216146_200000210301 [0,2,0,0,0,0|1,1,0]=4 2363 B8R0.15 C=CCC(OC)C(C)C 7a_200011216146_200000210301 [0,2,0,0,0,0|1,1,0]=4 2364 B8R0.15 C=CCC(O[13CH3])C(C)C 34a_200011216146_200025704644 [0,2,0,0,0,0|1,1,0]=4 2365 B8R0.15 C=CCC(O[13CH3])C(C)C 7a_200011216146_200025704644 [0,2,0,0,0,0|1,1,0]=4 2366 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [0,2,0,0,0,0|2,0,0]=4 2367 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [0,2,0,0,0,0|2,0,0]=4 2368 B8R0.22 C#CCN(CC)CC=O 2230a_100000744766_200015260668 [0,2,0,0,0,0|2,0,0]=4 2369 B8R0.22 C#CCN(CC)CC=O 269982a_100000744766_200015260668 [0,2,0,0,0,0|2,0,0]=4 2370 B8R0.22 C=CCC(CC=C)OC 7a_100011215198_200000210301 [0,2,0,0,0,0|1,1,0]=4 2371 B8R0.22 C=CCC(CC=C)O[13CH3] 7a_100011215198_200025704644 [0,2,0,0,0,0|1,1,0]=4 2372 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,2,0,0,0,0|1,1,0]=4 2373 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,2,0,0,0,0|1,1,0]=4 2374 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,2,0,0,0,0|1,1,0]=4 2375 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,2,0,0,0,0|1,1,0]=4 2376 B8R0.22 C=CC[C@H](CO)NCC 2230a_100020615467_100000210202 [0,2,0,0,0,0|2,0,0]=4 2377 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,2,0,0,0,0|1,0,1]=4 2378 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,2,0,0,0,0|1,0,1]=4 2379 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,2,0,0,0,0|1,0,1]=4 2380 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,2,0,0,0,0|1,0,1]=4 2381 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,2,0,0,0,0|1,0,1]=4 2382 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,2,0,0,0,0|1,0,1]=4 2383 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,2,0,0,0,0|1,0,1]=4 2384 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,2,0,0,0,0|1,0,1]=4 2385 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 2386 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|2,0,0]=4 2387 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,2,0,0,0,0|2,0,0]=4 2388 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,2,0,0,0,0|2,0,0]=4 2389 B8R0.22 COC(CSC)CSC 7a_200000036665_200000210301 [0,2,0,0,0,0|2,0,0]=4 2390 B8R0.22 CSCC(CSC)O[13CH3] 7a_200000036665_200025704644 [0,2,0,0,0,0|2,0,0]=4 2391 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,2,0,0,0,0|1,1,0]=4 2392 B8R0.30 C=CCC(C)(C)OCF 7a_100011995686_100015361967 [0,2,0,0,0,0|1,1,0]=4 2393 B8R0.30 C=CC[Si](C)(C)CSC 62a_100000046978_200000210301 [0,2,0,0,0,0|1,1,0]=4 2394 B8R0.30 C=CC[Si](C)(C)CSC 62a_200000210301_100000046978 [0,2,0,0,0,0|1,1,0]=4 2395 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_100000046978_200025704644 [0,2,0,0,0,0|1,1,0]=4 2396 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_200025704644_100000046978 [0,2,0,0,0,0|1,1,0]=4 2397 B8R0.20 CCN(C)C(C=O)C=O 2230a_100000225621_100000736813 [0,2,0,0,0,0|2,0,0]=4 2398 B8R0.20 COC(OC)C(C)SC 62a_100011222894_200000210301 [0,2,0,0,0,0|2,0,0]=4 2399 B8R0.20 COC(OC)C(C)SC 62a_200000210301_100011222894 [0,2,0,0,0,0|2,0,0]=4 2400 B8R0.20 COC(OC)C(C)S[13CH3] 62a_100011222894_200025704644 [0,2,0,0,0,0|2,0,0]=4 2401 B8R0.20 COC(OC)C(C)S[13CH3] 62a_200025704644_100011222894 [0,2,0,0,0,0|2,0,0]=4 2402 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [0,2,0,0,0,0|1,1,0]=4 2403 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [0,2,0,0,0,0|1,1,0]=4 2404 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,2,0,0,0,0|1,0,1]=4 2405 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,2,0,0,0,0|1,0,1]=4 2406 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,2,0,0,0,0|1,0,1]=4 2407 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,2,0,0,0,0|1,0,1]=4 2408 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,1,0,0|2,0,0]=4 2409 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,1,0,0|2,0,0]=4 2410 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 2411 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 2412 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|2,0,0]=4 2413 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 2414 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|2,0,0]=4 2415 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 2416 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [1,0,0,1,0,0|2,0,0]=4 2417 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|2,0,0]=4 2418 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|2,0,0]=4 2419 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|2,0,0]=4 2420 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|2,0,0]=4 2421 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|2,0,0]=4 2422 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|2,0,0]=4 2423 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 2424 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 2425 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|2,0,0]=4 2426 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|2,0,0]=4 2427 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|2,0,0]=4 2428 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|2,0,0]=4 2429 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|2,0,0]=4 2430 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2431 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2432 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2433 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2434 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2435 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2436 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,1,0,0|2,0,0]=4 2437 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,1]=4 2438 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|2,0,0]=4 2439 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,1,0,0|2,0,0]=4 2440 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,1]=4 2441 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|2,0,0]=4 2442 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|1,0,1]=4 2443 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|0,1,1]=4 2444 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|1,0,1]=4 2445 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|0,1,1]=4 2446 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|2,0,0]=4 2447 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|1,0,1]=4 2448 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|1,0,0]=3 2449 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|2,0,0]=4 2450 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|0,1,0]=3 2451 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|0,1,0]=3 2452 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,1,0]=4 2453 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|1,0,1]=4 2454 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,0]=3 2455 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|1,0,0]=3 2456 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|0,1,0]=3 2457 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|0,1,0]=3 2458 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,0]=3 2459 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 2460 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|2,0,0]=4 2461 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 2462 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|2,0,0]=4 2463 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 2464 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 2465 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|2,0,0]=4 2466 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|2,0,0]=4 2467 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|2,0,0]=4 2468 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|1,0,0]=3 2469 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|1,0,0]=3 2470 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|0,1,0]=3 2471 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|2,0,0]=4 2472 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|2,0,0]=4 2473 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2474 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2475 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2476 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,1,0,0|2,0,0]=4 2477 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,1,0,1,0,0|2,0,0]=4 2478 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,1,0,1,0,0|2,0,0]=4 2479 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|1,0,0]=3 2480 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|2,0,0]=4 2481 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|1,0,0]=3 2482 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,1,0,1,0,0|0,1,0]=3 2483 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2484 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2485 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2486 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,1,0,1,0,0|2,0,0]=4 2487 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|1,0,0]=3 2488 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|2,0,0]=4 2489 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|1,0,0]=3 2490 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|1,0,0]=3 2491 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|2,0,0]=4 2492 B8R1.53 CNC1CS(=O)(=O)C1 2230a_100000695474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2493 B8R1.53 CNC1CS(=O)(=O)C1 34a_100000695474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2494 B8R1.53 COC1CS(=O)(=O)C1 34a_100000072295_200000210301 [0,1,0,1,0,0|1,1,0]=4 2495 B8R1.53 COC1CS(=O)(=O)C1 7a_100000072295_200000210301 [0,1,0,1,0,0|1,1,0]=4 2496 B8R1.53 CSC1CC(C1)(F)F 62a_100010741680_200000210301 [0,1,0,1,0,0|1,0,1]=4 2497 B8R1.53 [13CH3]NC1CS(=O)(=O)C1 2230a_100000695474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2498 B8R1.53 [13CH3]NC1CS(=O)(=O)C1 34a_100000695474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2499 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 34a_100000072295_200025704644 [0,1,0,1,0,0|1,1,0]=4 2500 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 7a_100000072295_200025704644 [0,1,0,1,0,0|1,1,0]=4 2501 B8R1.53 [13CH3]SC1CC(C1)(F)F 62a_100010741680_200025704644 [0,1,0,1,0,0|1,0,1]=4 2502 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|1,1,0]=4 2503 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|1,0,1]=4 2504 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|1,0,1]=4 2505 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|1,0,1]=4 2506 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|1,0,1]=4 2507 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|0,0,2]=4 2508 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|0,0,2]=4 2509 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|0,1,1]=4 2510 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|1,1,0]=4 2511 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|1,0,1]=4 2512 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|1,0,1]=4 2513 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|1,0,1]=4 2514 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|1,0,1]=4 2515 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|0,0,2]=4 2516 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|0,0,2]=4 2517 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|0,1,1]=4 2518 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,1,0,1,0,0|2,0,0]=4 2519 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,1,0,1,0,0|2,0,0]=4 2520 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,1,0,1,0,0|2,0,0]=4 2521 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [0,1,0,1,0,0|2,0,0]=4 2522 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [0,1,0,1,0,0|2,0,0]=4 2523 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [0,1,0,1,0,0|2,0,0]=4 2524 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,1,0,1,0,0|2,0,0]=4 2525 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,1,0,1,0,0|2,0,0]=4 2526 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,1,0,1,0,0|2,0,0]=4 2527 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,1,0,0|1,0,0]=3 2528 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,1,0,0|1,0,0]=3 2529 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,1,0,1,0,0|2,0,0]=4 2530 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,1,0,0|1,0,0]=3 2531 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,1,0,1,0,0|2,0,0]=4 2532 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,1,0,0|1,0,0]=3 2533 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,1,0,1,0,0|2,0,0]=4 2534 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,1,0,1,0,0|2,0,0]=4 2535 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,1,0,1,0,0|2,0,0]=4 2536 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|1,0,0]=3 2537 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|1,0,0]=3 2538 B8R1.41 C=CCNC1(CC1)C 2230a_100000757604_100000210623 [0,1,0,1,0,0|2,0,0]=4 2539 B8R1.41 C=CCOC1(CC1)C 7a_100011725673_100015514636 [0,1,0,1,0,0|2,0,0]=4 2540 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,1,0,1,0,0|1,0,0]=3 2541 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,1,0,1,0,0|1,0,0]=3 2542 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [0,1,0,1,0,0|1,0,1]=4 2543 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,1,0,1,0,0|0,0,2]=4 2544 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,1,0,1,0,0|0,0,2]=4 2545 B8R1.47 CSC1CN(C1)CF 269982a_100016990038_100015361967 [0,1,0,1,0,0|1,0,1]=4 2546 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,1,0,1,0,0|0,0,2]=4 2547 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,1,0,1,0,0|0,0,2]=4 2548 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|2,0,0]=4 2549 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|2,0,0]=4 2550 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|2,0,0]=4 2551 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|2,0,0]=4 2552 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,1,0,0|2,0,0]=4 2553 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,1,0,1,0,0|1,0,0]=3 2554 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,1,0,0|2,0,0]=4 2555 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,1,0,1,0,0|2,0,0]=4 2556 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,1,0,1,0,0|2,0,0]=4 2557 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 2558 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 2559 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 2560 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 2561 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,1,0,1,0,0|1,1,0]=4 2562 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,1,0,1,0,0|1,1,0]=4 2563 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,1,0,1,0,0|2,0,0]=4 2564 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,1,0,1,0,0|2,0,0]=4 2565 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,1,0,1,0,0|2,0,0]=4 2566 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,1,0,1,0,0|2,0,0]=4 2567 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|0,0,0]=2 2568 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 2569 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 2570 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,1,0,0|0,1,0]=3 2571 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|0,0,0]=2 2572 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|0,0,0]=2 2573 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,1,0,1,0,0|0,0,0]=2 2574 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [0,1,0,1,0,0|2,0,0]=4 2575 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [0,1,0,1,0,0|2,0,0]=4 2576 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [0,1,0,1,0,0|2,0,0]=4 2577 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,1,0,1,0,0|2,0,0]=4 2578 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,1,0,0|0,1,0]=3 2579 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|0,0,0]=2 2580 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|0,0,0]=2 2581 B8R1.8 C=CCN1CCSC1 2230a_100011215254_100000210623 [0,1,0,1,0,0|2,0,0]=4 2582 B8R1.8 C=CCN1CCSC1 269982a_100011215254_100000210623 [0,1,0,1,0,0|2,0,0]=4 2583 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [0,1,0,1,0,0|2,0,0]=4 2584 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,1]=4 2585 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,1]=4 2586 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,1,0,0|0,0,2]=4 2587 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,1,0,1,0,0|1,1,0]=4 2588 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|1,0,1]=4 2589 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|1,0,1]=4 2590 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,1,0,0|0,0,2]=4 2591 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,1,0,0|0,0,2]=4 2592 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [0,1,0,1,0,0|2,0,0]=4 2593 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|1,0,1]=4 2594 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|1,0,1]=4 2595 B8R1.8 FCSC1CCOC1 62a_100015361967_100000690089 [0,1,0,1,0,0|0,0,2]=4 2596 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|2,0,0]=4 2597 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|2,0,0]=4 2598 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,1,0,1,0,0|1,0,0]=3 2599 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,1,0,1,0,0|1,0,0]=3 2600 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,1,0,1,0,0|1,1,0]=4 2601 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|1,0,1]=4 2602 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|1,0,1]=4 2603 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,1,0,0|0,0,2]=4 2604 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,1,0,0|0,0,2]=4 2605 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|0,0,2]=4 2606 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|0,0,2]=4 2607 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|1,0,1]=4 2608 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|1,0,1]=4 2609 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|0,0,2]=4 2610 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|0,0,2]=4 2611 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|1,0,1]=4 2612 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|1,0,1]=4 2613 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|1,0,1]=4 2614 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|1,0,1]=4 2615 B8R1.66 CC1(COC1)CS[13CH3] 62a_100009817586_200025704644 [0,1,0,1,0,0|2,0,0]=4 2616 B8R1.66 CC1(COC1)CS[13CH3] 62a_200025704644_100009817586 [0,1,0,1,0,0|2,0,0]=4 2617 B8R1.66 CC1(CSC1)CO[13CH3] 34a_100000732658_200025704644 [0,1,0,1,0,0|2,0,0]=4 2618 B8R1.66 CC1(CSC1)CO[13CH3] 7a_100000732658_200025704644 [0,1,0,1,0,0|2,0,0]=4 2619 B8R1.66 COCC1(CSC1)C 34a_100000732658_200000210301 [0,1,0,1,0,0|2,0,0]=4 2620 B8R1.66 COCC1(CSC1)C 7a_100000732658_200000210301 [0,1,0,1,0,0|2,0,0]=4 2621 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|1,0,1]=4 2622 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|1,0,1]=4 2623 B8R1.66 CSCC1(COC1)C 62a_100009817586_200000210301 [0,1,0,1,0,0|2,0,0]=4 2624 B8R1.66 CSCC1(COC1)C 62a_200000210301_100009817586 [0,1,0,1,0,0|2,0,0]=4