0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|1,0,3]=4 35 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,0,0,0,0,0|2,0,1]=3 71 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|1,0,0]=1 73 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|1,0,0]=1 74 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|2,0,1]=3 76 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|1,0,2]=3 77 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|1,0,2]=3 78 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|1,0,2]=3 79 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|1,0,2]=3 80 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,0,0,0,0,0|2,0,1]=3 81 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|1,0,2]=3 82 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|1,0,2]=3 83 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|2,0,0]=2 84 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|2,0,0]=2 85 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|2,0,0]=2 86 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|2,0,0]=2 89 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|3,0,0]=3 91 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|3,0,0]=3 93 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|3,0,0]=3 94 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,0,0,0,0,0|4,0,0]=4 95 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,0,0,0,0,0|4,0,0]=4 96 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,0,0,0,0,0|4,0,0]=4 97 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,0,0,0,0,0|4,0,0]=4 98 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|3,0,0]=3 99 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|3,0,0]=3 100 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|3,0,0]=3 101 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|3,0,1]=4 103 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|3,0,1]=4 104 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|2,0,0]=2 106 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|2,0,0]=2 107 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|3,0,0]=3 109 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,0,0,0,0,0|4,0,0]=4 111 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|3,0,0]=3 112 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|3,0,0]=3 113 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,0,0,0,0,0|3,0,0]=3 114 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|3,0,0]=3 115 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|3,0,0]=3 116 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|3,0,1]=4 117 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|2,0,0]=2 119 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|2,0,0]=2 120 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|3,0,0]=3 122 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,0,0,0,0,0|4,0,0]=4 124 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|3,0,0]=3 126 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,0,0,0,0,0|3,0,0]=3 129 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|3,0,0]=3 130 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|3,0,0]=3 132 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|2,0,2]=4 133 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,2]=4 134 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,2]=4 135 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,2]=4 136 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|1,0,3]=4 137 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,0,0,0,0,0|4,0,0]=4 138 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,0,0,0,0,0|4,0,0]=4 139 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,0,0,0,0,0|4,0,0]=4 141 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,2]=4 142 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,2]=4 145 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,2]=4 151 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 154 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,1]=3 155 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,0]=3 160 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,1]=3 169 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,2]=4 170 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 211 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,0]=2 212 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 213 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,2]=4 218 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 219 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,2]=4 220 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,2]=4 221 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 222 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|3,0,0]=4 223 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|3,0,0]=4 224 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|3,0,0]=4 225 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,0]=2 226 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 228 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,2]=4 230 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|3,0,0]=4 231 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|3,0,0]=4 232 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|3,0,0]=4 235 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,0]=2 238 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,0]=2 239 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,2]=4 242 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,2]=4 243 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|3,0,0]=4 245 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|3,0,0]=4 247 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,2]=4 249 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,2]=4 250 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 252 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,0]=2 255 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,0]=2 256 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 258 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,2]=4 259 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,2]=4 260 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|1,0,1]=3 261 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|1,0,1]=3 262 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|1,0,1]=3 263 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.1 C#CCN(C)CF 34a_100000225692_100015361967 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,1]=3 273 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,0]=3 287 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 288 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|0,0,2]=3 301 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|0,0,2]=3 302 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,0]=3 305 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,0]=3 307 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|2,0,0]=3 318 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|3,0,0]=4 323 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|3,0,0]=4 324 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|3,0,0]=4 325 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|3,0,0]=4 328 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|3,0,0]=4 332 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|1,0,1]=3 333 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|1,0,1]=3 334 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|1,0,1]=3 335 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|1,0,1]=3 336 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|1,0,1]=3 337 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|1,0,1]=3 338 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,1]=3 340 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,1]=3 343 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,0,1]=3 346 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,0,1]=3 347 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|1,0,0]=2 360 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|1,0,2]=4 364 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|1,0,2]=4 365 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|1,0,2]=4 366 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|1,0,2]=4 367 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|1,0,2]=4 368 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|1,0,2]=4 374 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|1,0,2]=4 375 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 393 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|2,0,0]=3 401 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|2,0,0]=3 402 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|1,0,2]=4 403 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|1,0,1]=3 404 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|1,0,1]=3 405 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|0,0,2]=3 406 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|0,0,2]=3 407 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|0,0,2]=3 408 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|2,0,0]=3 409 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|2,0,0]=3 410 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|2,0,0]=3 411 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|2,0,0]=3 412 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|2,0,0]=3 413 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|3,0,0]=4 415 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|3,0,0]=4 416 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|3,0,0]=4 417 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|2,0,0]=3 418 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|2,0,0]=3 419 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|2,0,0]=3 420 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|3,0,0]=4 423 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|3,0,0]=4 425 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|3,0,0]=4 426 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|3,0,0]=4 427 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|3,0,0]=4 428 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|1,0,1]=3 430 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|0,0,2]=3 431 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|0,0,2]=3 432 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|2,0,0]=3 433 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|1,0,1]=3 434 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|0,0,2]=3 435 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|2,0,0]=3 441 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|2,0,0]=3 442 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|2,0,0]=3 444 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|2,0,0]=3 445 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|3,0,0]=4 447 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|2,0,0]=3 448 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|2,0,0]=3 449 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|2,0,0]=3 450 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|2,0,0]=3 451 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|3,0,0]=4 452 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|3,0,0]=4 453 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|2,0,0]=3 455 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|1,0,1]=3 456 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|1,0,1]=3 457 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|0,0,2]=3 458 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|0,0,2]=3 459 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|3,0,0]=4 461 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|2,0,0]=3 463 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|3,0,0]=4 465 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|3,0,0]=4 467 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|1,0,1]=3 468 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|2,0,0]=3 469 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|2,0,0]=3 470 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|0,0,2]=3 471 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|0,0,2]=3 472 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|3,0,0]=4 475 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|3,0,0]=4 476 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|3,0,0]=4 477 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|3,0,0]=4 478 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|3,0,0]=4 479 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|3,0,0]=4 480 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|3,0,0]=4 481 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|3,0,0]=4 482 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|3,0,0]=4 484 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|0,0,2]=3 485 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,1,0,0,0,0|2,0,0]=3 486 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,1,0,0,0,0|2,0,0]=3 487 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,1,0,0,0,0|2,0,0]=3 488 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|1,0,2]=4 492 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,1,0,0,0,0|2,0,0]=3 493 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,1,0,0,0,0|2,0,0]=3 494 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|0,0,2]=3 495 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,2]=4 496 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|0,0,2]=3 498 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,2]=4 500 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|1,0,1]=3 501 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|1,0,1]=3 502 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|0,0,0]=1 504 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|0,0,0]=1 505 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,0]=2 506 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|2,0,0]=3 507 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|1,0,0]=2 508 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,0]=2 509 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|2,0,1]=4 510 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|1,0,0]=2 511 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|1,0,0]=2 512 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|1,0,0]=2 513 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|1,0,0]=2 514 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|1,0,0]=2 515 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|0,0,0]=1 516 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|2,0,0]=3 517 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|2,0,0]=3 518 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|2,0,0]=3 519 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|2,0,0]=3 520 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|2,0,0]=3 522 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 524 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,1,0,0,0,0|1,0,2]=4 528 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,1,0,0,0,0|1,0,2]=4 529 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,1,0,0,0,0|1,0,2]=4 530 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,1,0,0,0,0|1,0,2]=4 531 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,1,0,0,0,0|1,0,2]=4 532 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,1,0,0,0,0|1,0,2]=4 533 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|1,0,0]=2 534 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|1,0,0]=2 535 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|1,0,0]=2 536 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|1,0,0]=2 537 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|1,0,0]=2 538 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|1,0,0]=2 539 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,1,0,0,0,0|2,0,0]=3 542 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|1,0,0]=2 543 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|1,0,0]=2 544 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,0]=2 545 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,1,0,0,0,0|1,0,2]=4 546 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,1,0,0,0,0|1,0,2]=4 547 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|1,0,0]=2 548 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|1,0,1]=3 549 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|1,0,2]=4 550 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|1,0,1]=3 551 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|2,0,1]=4 552 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,1,0,0,0,0|2,0,1]=4 557 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,1,0,0,0,0|2,0,1]=4 558 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,0,2]=4 559 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|0,0,3]=4 560 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|2,0,0]=3 561 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|2,0,0]=3 562 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|1,0,2]=4 564 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|1,0,2]=4 565 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|1,0,2]=4 566 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,0,2]=4 569 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,0,2]=4 570 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|2,0,1]=4 581 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 582 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 587 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,1,0,0,0,0|3,0,0]=4 590 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|1,0,2]=4 591 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,1,0,0,0,0|2,0,1]=4 592 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,1,0,0,0,0|2,0,1]=4 593 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,1,0,0,0,0|1,0,1]=3 594 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,1,0,0,0,0|1,0,1]=3 595 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,1,0,0,0,0|1,0,1]=3 596 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,0,0,0,0|1,0,1]=3 597 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,0,0,0,0|1,0,1]=3 598 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|1,0,1]=3 599 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|2,0,1]=4 600 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|2,0,1]=4 602 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|2,0,1]=4 603 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|2,0,1]=4 604 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,0]=3 606 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,0]=3 609 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|2,0,1]=4 611 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|2,0,1]=4 612 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|2,0,1]=4 613 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|1,0,0]=2 614 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|1,0,0]=2 615 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|1,0,0]=2 616 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|1,0,0]=2 617 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|1,0,0]=2 618 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|1,0,0]=2 619 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|1,0,0]=2 620 B6R0.4 CC#CCN(C)C 2230a_100102631434_100000748600 [0,1,0,0,0,0|2,0,1]=4 621 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|1,0,2]=4 626 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|0,0,2]=3 628 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|0,0,2]=3 629 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|0,1,1]=3 630 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|0,1,1]=3 631 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|1,0,1]=3 632 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|1,0,1]=3 633 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|1,0,1]=3 634 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|1,0,1]=3 635 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,1,0,0,0,0|1,0,1]=3 636 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|0,0,0]=1 637 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|0,0,0]=1 638 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|1,0,1]=3 639 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|1,0,1]=3 640 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|1,0,1]=3 641 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|0,0,2]=3 642 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|0,0,2]=3 643 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|0,0,2]=3 644 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|0,0,2]=3 645 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|0,0,0]=1 646 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|1,0,1]=3 647 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|1,0,1]=3 648 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|1,0,1]=3 649 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|0,0,2]=3 650 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|2,0,0]=3 651 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|2,0,0]=3 652 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|1,0,1]=3 653 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|1,0,1]=3 654 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|0,0,0]=1 655 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|0,0,0]=1 656 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|1,0,1]=3 657 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|1,0,1]=3 658 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|0,0,2]=3 659 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|0,0,2]=3 660 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,1,0,0,0,0|2,0,1]=4 661 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,1,0,0,0,0|1,1,1]=4 663 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,1,0,0,0,0|1,1,1]=4 664 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,1,0,0,0,0|2,0,1]=4 667 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|2,0,1]=4 668 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|2,0,1]=4 669 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|2,0,1]=4 670 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,0]=3 671 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,1,0,0,0,0|2,0,0]=3 672 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|2,0,1]=4 673 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|2,0,1]=4 674 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|2,0,1]=4 675 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|2,0,1]=4 677 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|2,0,1]=4 678 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|1,0,1]=3 679 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|1,0,1]=3 680 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|1,0,1]=3 681 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|1,0,1]=3 682 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|1,0,1]=3 683 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|1,0,1]=3 684 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|1,0,1]=3 685 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|1,0,1]=3 686 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|1,0,1]=3 687 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|1,0,1]=3 688 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 689 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,1,0,0,0,0|2,0,1]=4 690 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 693 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|1,0,1]=3 694 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|1,0,1]=3 695 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,1,0,0,0,0|2,0,1]=4 697 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 699 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 700 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,1,0,0,0,0|2,0,1]=4 701 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|1,0,1]=3 702 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|1,0,1]=3 703 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|2,0,1]=4 706 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 710 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 711 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 712 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|1,0,2]=4 713 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|1,0,2]=4 714 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|1,0,2]=4 715 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|1,0,2]=4 716 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|1,1,1]=4 717 B6R0.4 CN(C)CSC#N 269982a_100102631434_100000211825 [0,1,0,0,0,0|2,0,1]=4 718 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|1,0,2]=4 720 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|1,0,2]=4 721 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 722 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|2,0,1]=4 723 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 725 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|1,0,1]=3 726 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|1,0,1]=3 727 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|1,0,1]=3 728 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|1,0,1]=3 729 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,1,0,0,0,0|2,0,1]=4 732 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,1,0,0,0,0|2,0,1]=4 733 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|2,0,1]=4 734 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|2,0,0]=3 735 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|2,0,0]=3 736 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|2,0,1]=4 737 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|2,0,1]=4 738 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|1,0,2]=4 739 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|0,0,2]=3 740 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|0,0,2]=3 741 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|0,0,2]=3 742 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|1,0,2]=4 743 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|1,0,2]=4 744 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|1,0,2]=4 745 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|1,0,2]=4 746 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|1,0,2]=4 747 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|1,0,2]=4 748 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|1,0,2]=4 749 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 750 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|2,0,0]=3 751 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|2,0,0]=3 752 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|2,0,0]=3 753 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|2,0,0]=3 754 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|2,0,1]=4 755 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|0,1,1]=3 757 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|0,1,1]=3 758 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,1,0,0,0,0|1,1,1]=4 759 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,1,0,0,0,0|1,1,1]=4 760 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|1,1,1]=4 761 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|1,1,1]=4 762 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|1,1,1]=4 763 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|1,1,1]=4 764 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|1,1,1]=4 765 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|1,1,1]=4 766 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|1,1,1]=4 767 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|2,0,0]=3 768 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|2,0,0]=3 769 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|2,0,0]=3 770 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|2,0,0]=3 771 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|2,0,0]=3 772 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|2,0,0]=3 774 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 775 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 776 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,1,0,0,0,0|2,0,1]=4 777 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,1,0,0,0,0|2,0,0]=3 780 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,1,0,0,0,0|2,0,0]=3 781 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,1,0,0,0,0|2,0,0]=3 782 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 783 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|2,0,1]=4 785 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|2,0,1]=4 786 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,1,0,0,0,0|2,0,0]=3 787 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,1,0,0,0,0|2,0,0]=3 788 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,1,0,0,0,0|2,0,0]=3 789 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,1,0,0,0,0|2,0,0]=3 790 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,1,0,0,0,0|2,0,0]=3 791 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,0,0,0,0|2,0,0]=3 792 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,0,0,0,0|2,0,0]=3 793 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,1,0,0,0,0|3,0,0]=4 794 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|2,0,1]=4 795 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 796 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|2,0,1]=4 797 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 798 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|2,0,1]=4 800 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,1,0,0,0,0|2,0,0]=3 801 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,1,0,0,0,0|2,0,0]=3 802 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,1,0,0,0,0|2,0,0]=3 803 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,1,0,0,0,0|2,0,0]=3 804 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,1,0,0,0,0|2,0,0]=3 805 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,1,0,0,0,0|2,0,0]=3 806 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,1,0,0,0,0|2,0,0]=3 807 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,1,0,0,0,0|2,0,0]=3 808 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [0,1,0,0,0,0|2,1,0]=4 809 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [0,1,0,0,0,0|2,1,0]=4 810 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,1,0,0,0,0|2,0,0]=3 811 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,1,0,0,0,0|2,0,0]=3 812 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,1,0,0,0,0|2,0,0]=3 813 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|2,0,0]=3 814 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,1,0,0,0,0|3,0,0]=4 815 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,1,0,0,0,0|2,0,0]=3 816 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,1,0,0,0,0|2,0,0]=3 817 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,1,0,0,0,0|2,0,0]=3 818 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,1,0,0,0,0|2,0,0]=3 819 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,0,0,0,0|2,0,0]=3 820 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,0,0,0,0|2,0,0]=3 821 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,1,0,0,0,0|3,0,0]=4 822 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,1,0,0,0,0|3,0,0]=4 823 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,1,0,0,0,0|2,1,0]=4 824 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,1,0,0,0,0|2,1,0]=4 825 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,1,0,0,0,0|3,0,0]=4 826 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,1,0,0,0,0|3,0,0]=4 827 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,1,0,0,0,0|2,1,0]=4 828 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,1,0,0,0,0|2,1,0]=4 829 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,1,0,0|2,0,0]=3 830 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 831 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 832 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|1,1,1]=4 833 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|1,1,1]=4 834 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,1,0,0|2,0,0]=3 835 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 836 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 837 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|1,1,1]=4 838 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|1,1,1]=4 839 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|2,0,1]=4 840 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|2,0,1]=4 841 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|2,0,1]=4 842 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,0,0,1,0,0|2,0,0]=3 843 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,0,0,1,0,0|2,0,0]=3 844 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,0,0,1,0,0|2,0,0]=3 845 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,0,0,1,0,0|2,0,0]=3 846 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,0,0,1,0,0|2,0,0]=3 847 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,0,0,1,0,0|2,0,0]=3 848 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,0,0,1,0,0|3,0,0]=4 849 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,0,0,1,0,0|3,0,0]=4 850 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,0,0,1,0,0|3,0,0]=4 851 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,0,0,1,0,0|3,0,0]=4 852 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,0,0,1,0,0|3,0,0]=4 853 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,0,0,1,0,0|2,0,0]=3 854 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,0,0,1,0,0|2,0,0]=3 855 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,0,0,1,0,0|3,0,0]=4 856 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,0,0,1,0,0|3,0,0]=4 857 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,0,0,1,0,0|2,0,0]=3 858 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,0,0,1,0,0|2,0,0]=3 859 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,0,0,1,0,0|3,0,0]=4 860 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,0,0,1,0,0|3,0,0]=4 861 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,0,0,1,0,0|3,0,0]=4 862 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,0,0,1,0,0|3,0,0]=4 863 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,0,0,1,0,0|3,0,0]=4 864 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,0,0,1,0,0|3,0,0]=4 865 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|2,0,1]=4 866 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|2,0,1]=4 867 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,0,0,1,0,0|2,0,0]=3 868 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,0,0,1,0,0|2,0,0]=3 869 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,0,0,1,0,0|2,0,0]=3 870 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,0,0,1,0,0|3,0,0]=4 871 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,0,0,1,0,0|2,0,0]=3 872 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,0,0,1,0,0|2,0,0]=3 873 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,0,0,1,0,0|3,0,0]=4 874 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,0,0,1,0,0|3,0,0]=4 875 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,0,0,1,0,0|3,0,0]=4 876 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,0,0,1,0,0|3,0,0]=4 877 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,0,0,1,0,0|3,0,0]=4 878 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,0,0,1,0,0|3,0,0]=4 879 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|2,0,0]=3 880 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|2,0,0]=3 881 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|2,0,0]=3 882 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|2,0,0]=3 883 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|2,0,0]=3 884 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|2,0,0]=3 885 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 886 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 887 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 888 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,1,0,0|1,0,2]=4 889 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 890 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 891 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 892 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,1,0,0|1,0,2]=4 893 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,0,0,1,0,0|3,0,0]=4 894 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,0,0,1,0,0|3,0,0]=4 895 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,0,0,1,0,0|3,0,0]=4 896 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,0,0,1,0,0|3,0,0]=4 897 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,0,0,1,0,0|3,0,0]=4 898 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,0,0,1,0,0|3,0,0]=4 899 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|2,0,1]=4 900 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|2,0,1]=4 901 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|2,0,1]=4 902 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|2,0,1]=4 903 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|2,0,1]=4 904 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 905 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 906 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 907 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 908 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 909 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 910 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 911 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 912 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 913 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 914 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 915 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 916 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 917 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 918 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 919 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 920 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 921 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 922 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 923 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 924 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 925 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 926 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 927 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 928 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 929 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|0,0,2]=4 930 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|0,0,2]=4 931 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|0,0,2]=4 932 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|0,0,2]=4 933 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|0,0,2]=4 934 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|0,0,2]=4 935 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|0,0,2]=4 936 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|0,0,2]=4 937 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 938 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 939 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 940 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 941 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,1]=3 942 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,1]=3 943 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,1]=3 944 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,1]=3 945 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|1,0,1]=4 946 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|1,0,1]=4 947 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 948 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 949 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,0]=3 950 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,0]=3 951 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 952 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,0,1]=3 953 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,0,1]=3 954 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,0,1]=3 955 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,0,1]=3 956 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,0,1]=3 957 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,0,1]=3 958 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,1]=3 959 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,1]=3 960 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,1]=3 961 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,0,1]=3 962 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,0,1]=3 963 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,0,1]=3 964 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,0,1]=3 965 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,1]=4 966 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 967 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,1]=4 968 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,1]=4 969 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 970 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|1,0,1]=4 971 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 972 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,1]=4 973 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 974 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|1,0,1]=4 975 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|1,0,1]=4 976 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|1,0,1]=4 977 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,0,1]=3 978 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,0,1]=3 979 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,0,1]=3 980 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,0,1]=3 981 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|1,0,1]=4 982 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,0]=3 983 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,0]=3 984 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 985 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,0,1]=3 986 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,1]=4 989 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,1]=4 990 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 991 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 992 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,0,1]=3 993 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,0,1]=3 994 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,0,1]=3 995 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,0,1]=3 996 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,0,1]=3 997 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,0,1]=3 998 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,1]=4 999 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 1001 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|1,0,1]=4 1002 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|1,0,1]=4 1003 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,1]=4 1004 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,1]=4 1005 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 1006 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|1,0,1]=4 1007 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 1008 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|1,0,1]=4 1009 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|1,0,1]=4 1010 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,2]=4 1011 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,2]=4 1012 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,0]=2 1013 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,0]=2 1014 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,0]=3 1015 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1016 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 1017 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 1018 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 1019 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 1020 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,0]=3 1021 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,0]=3 1022 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,0]=2 1023 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 1024 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 1025 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,1]=4 1026 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,1]=4 1027 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,0]=3 1028 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,0]=3 1029 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,0]=3 1030 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1031 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,1,0,0,0,0|1,0,1]=4 1032 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,1,0,0,0,0|1,0,1]=4 1033 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,1,0,0,0,0|1,0,1]=4 1034 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,1,0,0,0,0|1,0,1]=4 1035 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,1,0,0,0,0|1,0,1]=4 1036 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|1,0,1]=4 1037 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|1,0,1]=4 1038 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|1,0,1]=4 1039 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,1,0,0,0,0|1,0,1]=4 1040 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,1,0,0,0,0|1,0,1]=4 1041 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,1,0,0,0,0|1,0,1]=4 1045 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,1,0,0,0,0|1,0,1]=4 1046 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,1,0,0,0,0|1,0,1]=4 1047 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,1,0,0,0,0|1,0,1]=4 1048 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,1]=4 1049 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,1]=4 1050 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|1,0,1]=4 1051 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|1,0,1]=4 1052 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|1,0,1]=4 1053 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|1,0,1]=4 1054 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|1,0,1]=4 1055 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|1,0,1]=4 1056 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|1,0,0]=3 1058 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 1059 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|1,0,0]=3 1060 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 1061 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|1,0,0]=3 1062 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|1,0,0]=3 1063 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|1,0,0]=3 1064 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|1,0,0]=3 1065 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|1,0,0]=3 1066 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|1,0,0]=3 1067 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|1,0,0]=3 1068 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|1,0,0]=3 1069 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|1,0,0]=3 1070 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|1,0,0]=3 1071 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,0]=3 1072 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,0]=3 1073 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|2,0,0]=4 1074 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,0,0]=3 1075 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,0,0]=3 1076 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|2,0,0]=4 1077 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|2,0,0]=4 1078 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 1079 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,1]=4 1080 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 1081 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|1,0,1]=4 1082 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1083 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|1,0,1]=4 1084 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1085 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|1,0,1]=4 1086 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 1087 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1088 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 1089 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|1,0,1]=4 1090 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 1091 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|1,0,1]=4 1092 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1093 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|1,0,1]=4 1094 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 1095 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,2]=4 1096 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 1097 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 1098 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 1099 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|0,1,1]=4 1100 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|0,1,1]=4 1101 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|0,1,1]=4 1102 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|0,1,1]=4 1103 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|1,0,1]=4 1104 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|1,0,1]=4 1105 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1106 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,1]=4 1107 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|1,0,1]=4 1108 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|1,0,1]=4 1109 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,0,1]=4 1110 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,0,1]=4 1111 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,1,0,0,0,0|1,0,1]=4 1112 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|0,0,0]=2 1113 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|1,0,1]=4 1114 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|1,0,1]=4 1115 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|0,0,2]=4 1116 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|0,0,2]=4 1117 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|0,0,2]=4 1118 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|2,0,0]=4 1119 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|2,0,0]=4 1120 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,0]=2 1121 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1122 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1123 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 1124 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,2]=4 1125 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|2,0,0]=4 1126 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1127 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|2,0,0]=4 1128 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1129 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|2,0,0]=4 1130 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,1,0,0,0,0|1,0,1]=4 1131 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,1,0,0,0,0|1,0,1]=4 1132 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,0,0]=2 1133 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,0,0]=2 1134 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,0,1]=4 1135 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,0,1]=4 1136 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|0,0,2]=4 1137 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|0,0,2]=4 1138 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|2,0,0]=4 1139 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|2,0,0]=4 1140 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|2,0,0]=4 1141 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1142 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,1,0,0,0,0|1,0,1]=4 1143 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,1,0,0,0,0|1,0,1]=4 1144 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1145 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1146 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1147 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|1,0,1]=4 1148 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1149 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|0,0,2]=4 1150 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|0,0,2]=4 1151 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|0,0,2]=4 1152 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|2,0,0]=4 1154 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|2,0,0]=4 1155 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|2,0,0]=4 1156 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|2,0,0]=4 1157 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|2,0,0]=4 1158 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|2,0,0]=4 1159 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|2,0,0]=4 1160 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1161 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,1]=4 1162 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,1]=4 1163 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,1]=4 1164 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1165 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,0,2]=4 1166 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1167 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|2,0,0]=4 1168 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|2,0,0]=4 1169 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|2,0,0]=4 1170 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|2,0,0]=4 1171 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|2,0,0]=4 1172 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|2,0,0]=4 1173 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|2,0,0]=4 1174 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|2,0,0]=4 1175 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|2,0,0]=4 1176 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|2,0,0]=4 1177 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|2,0,0]=4 1178 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,1,0,0,0,0|1,0,1]=4 1179 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,1,0,0,0,0|1,0,1]=4 1180 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,0,1]=4 1181 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,0,1]=4 1182 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,2]=4 1183 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,2]=4 1184 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|2,0,0]=4 1186 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|2,0,0]=4 1187 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|2,0,0]=4 1188 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|2,0,0]=4 1189 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|2,0,0]=4 1190 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|2,0,0]=4 1191 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,0]=3 1192 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,0]=3 1193 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1194 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1195 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1196 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,1]=4 1197 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,1]=4 1198 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1199 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|2,0,0]=4 1200 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,1,0,0,0,0|1,0,1]=4 1201 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,1,0,0,0,0|1,0,1]=4 1202 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,0,1]=4 1203 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,0,1]=4 1204 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,2]=4 1205 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,2]=4 1206 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|0,0,2]=4 1207 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,2,0,0,0,0|0,0,0]=2 1208 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,2,0,0,0,0|1,0,0]=3 1209 B7R0.2 C#CC(=O)CC(F)F 1458a_100000211873_100011934356 [0,2,0,0,0,0|2,0,0]=4 1210 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1211 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1212 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1213 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,2,0,0,0,0|1,0,1]=4 1216 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,2,0,0,0,0|1,0,1]=4 1217 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,2,0,0,0,0|1,0,1]=4 1219 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 1220 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 1221 B7R0.2 C=C(C#N)CN(C)C 2230a_100102631434_100000694840 [0,2,0,0,0,0|2,0,0]=4 1222 B7R0.2 C=C(C#N)CN(C)C 269982a_100102631434_100000694840 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|0,0,2]=4 1224 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,0,2]=4 1225 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1226 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1227 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1228 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1229 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1230 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1231 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,2,0,0,0,0|2,0,0]=4 1232 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1233 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1234 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1235 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1236 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|0,0,2]=4 1237 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,2,0,0,0,0|0,0,0]=2 1238 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,2,0,0,0,0|1,0,0]=3 1239 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,2,0,0,0,0|2,0,0]=4 1240 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,2,0,0,0,0|1,0,0]=3 1241 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,2,0,0,0,0|1,0,0]=3 1242 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|0,0,1]=3 1243 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|0,0,1]=3 1244 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,0]=3 1245 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,2,0,0,0,0|1,0,0]=3 1246 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|2,0,0]=4 1247 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|0,0,2]=4 1248 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|0,0,0]=2 1250 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1254 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1255 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1256 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|1,0,0]=3 1257 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,0]=3 1258 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,0]=3 1259 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|1,0,0]=3 1260 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|1,0,0]=3 1261 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|0,0,0]=2 1262 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,0,0]=2 1263 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|0,0,2]=4 1265 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|0,0,2]=4 1266 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,2,0,0,0,0|0,1,1]=4 1267 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,2,0,0,0,0|0,1,1]=4 1268 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,0]=3 1270 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,0]=3 1271 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,2,0,0,0,0|0,0,2]=4 1274 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,2,0,0,0,0|0,0,2]=4 1275 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,2,0,0,0,0|0,0,2]=4 1276 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|0,0,2]=4 1281 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,2,0,0,0,0|1,0,1]=4 1282 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,2,0,0,0,0|1,0,1]=4 1283 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,2,0,0,0,0|0,0,2]=4 1284 B7R0.2 CC(C)SC(F)C#N 62a_100000210206_200000117898 [0,2,0,0,0,0|1,0,1]=4 1285 B7R0.2 CC(C)SC(F)C#N 62a_200000117898_100000210206 [0,2,0,0,0,0|1,0,1]=4 1286 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,2,0,0,0,0|0,0,2]=4 1287 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,2,0,0,0,0|0,0,2]=4 1288 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,2,0,0,0,0|2,0,0]=4 1290 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|1,0,0]=3 1291 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,0,2]=4 1292 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,0,2]=4 1293 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|0,0,2]=4 1294 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,1]=4 1295 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|1,0,1]=4 1296 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|1,0,1]=4 1297 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|1,0,1]=4 1298 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|0,0,0]=2 1299 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|0,0,0]=2 1300 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|1,0,0]=3 1301 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|1,0,0]=3 1303 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|1,0,0]=3 1304 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|1,0,0]=3 1305 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|1,0,0]=3 1306 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 1307 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 1308 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 1309 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|1,0,0]=3 1310 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|0,0,0]=2 1311 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|0,0,0]=2 1312 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|0,0,0]=2 1313 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1314 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 1315 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1316 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 1317 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,2,0,0,0,0|2,0,0]=4 1318 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1319 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1320 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1321 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1322 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|1,0,0]=3 1323 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|1,0,0]=3 1324 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,2,0,0,0,0|1,0,1]=4 1325 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,2,0,0,0,0|1,0,1]=4 1326 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|1,0,0]=3 1332 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|1,0,0]=3 1333 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|1,0,0]=3 1334 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|1,0,0]=3 1335 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|1,0,0]=3 1336 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|1,0,0]=3 1338 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|1,0,0]=3 1339 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|1,0,0]=3 1340 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|1,0,0]=3 1341 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|1,0,0]=3 1342 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,2,0,0,0,0|2,0,0]=4 1349 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|1,0,0]=3 1350 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|0,0,0]=2 1353 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 1354 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 1355 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|1,0,0]=3 1356 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|1,0,0]=3 1357 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|1,0,0]=3 1358 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|0,0,2]=4 1359 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|0,0,2]=4 1360 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|0,0,2]=4 1361 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|0,0,0]=2 1365 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|0,0,0]=2 1366 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|0,0,0]=2 1367 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|0,0,0]=2 1368 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|1,0,0]=3 1369 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|1,0,0]=3 1370 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|1,0,0]=3 1371 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|1,0,0]=3 1372 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|1,0,0]=3 1373 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|1,0,0]=3 1374 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|1,0,0]=3 1375 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|1,0,0]=3 1376 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,2,0,0,0,0|1,0,0]=3 1377 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,2,0,0,0,0|1,0,0]=3 1378 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,2,0,0,0,0|1,0,0]=3 1379 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,2,0,0,0,0|1,0,0]=3 1380 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|1,0,0]=3 1381 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|1,0,0]=3 1382 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|1,0,0]=3 1383 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|1,0,0]=3 1384 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|1,0,0]=3 1385 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|1,0,1]=4 1391 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|1,0,1]=4 1392 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,0]=3 1393 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,0]=3 1394 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,0]=3 1395 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,0]=3 1396 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|0,0,2]=4 1398 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|0,0,2]=4 1399 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|0,0,2]=4 1400 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,2,0,0,0,0|2,0,0]=4 1401 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,2,0,0,0,0|2,0,0]=4 1402 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,2,0,0,0,0|0,1,1]=4 1403 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,2,0,0,0,0|0,1,1]=4 1404 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,2,0,0,0,0|2,0,0]=4 1406 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|1,0,0]=3 1407 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|1,0,0]=3 1408 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|1,0,0]=3 1411 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|1,0,0]=3 1412 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 1413 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,2,0,0,0,0|2,0,0]=4 1415 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|1,0,0]=3 1417 B7R0.3 C#CC(C)NCC=C 2230a_100000707721_100000210623 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.3 C#CC(C)NCC=C 34a_100000707721_100015514636 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,2,0,0,0,0|0,0,1]=3 1420 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,2,0,0,0,0|0,0,1]=3 1421 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.3 C#CC(C)SCC=C 62a_200000035995_100000210623 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,2,0,0,0,0|0,0,1]=3 1424 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.3 C#CCOC(C)CF 34a_100016041109_100000184674 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.3 C#CCOC(C)CF 7a_100016041109_100000038162 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.3 C#CCOC(C)CN 34a_100000210904_100000184674 [0,2,0,0,0,0|1,0,1]=4 1433 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.3 C#CCSC(C)OC 62a_100000038162_100009879195 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [0,2,0,0,0,0|1,0,1]=4 1437 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,2,0,0,0,0|0,0,1]=3 1440 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,2,0,0,0,0|0,0,1]=3 1441 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|2,0,0]=4 1442 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|0,0,1]=3 1443 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,2,0,0,0,0|0,0,1]=3 1444 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|1,0,0]=3 1445 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|1,0,0]=3 1446 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|1,0,0]=3 1447 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|1,0,0]=3 1448 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|1,0,0]=3 1449 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1450 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1451 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1452 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1453 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [0,2,0,0,0,0|2,0,0]=4 1454 B7R0.3 C=CCNC(C)C#N 2230a_100000737613_100000210623 [0,2,0,0,0,0|1,0,1]=4 1455 B7R0.3 C=CCNC(C)C#N 2230a_100020586998_100000184139 [0,2,0,0,0,0|1,0,1]=4 1456 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|1,0,0]=3 1457 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|1,0,0]=3 1458 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|1,0,0]=3 1459 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|1,0,0]=3 1460 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,2,0,0,0,0|1,0,1]=4 1461 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,1]=4 1462 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,0]=3 1463 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,0]=3 1464 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|1,0,0]=3 1465 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|1,0,0]=3 1466 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|1,0,0]=3 1467 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|1,0,0]=3 1468 B7R0.3 C=CCSC(C)C#N 62a_100000210623_100000703298 [0,2,0,0,0,0|1,0,1]=4 1469 B7R0.3 C=CCSC(C)C#N 62a_100000703298_100000210623 [0,2,0,0,0,0|1,0,1]=4 1470 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,2,0,0,0,0|1,0,1]=4 1471 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,0]=3 1472 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,0]=3 1473 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|1,0,0]=3 1474 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|1,0,0]=3 1475 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|1,0,0]=3 1476 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|1,0,0]=3 1477 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|1,0,0]=3 1478 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,2,0,0,0,0|0,0,1]=3 1479 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,2,0,0,0,0|0,0,1]=3 1480 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,2,0,0,0,0|0,0,1]=3 1481 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,2,0,0,0,0|0,0,1]=3 1482 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,2,0,0,0,0|1,0,1]=4 1484 B7R0.3 CC(CF)OCC#N 7a_100016041109_100011215382 [0,2,0,0,0,0|1,0,1]=4 1485 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|0,0,0]=2 1486 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|0,0,0]=2 1487 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,2,0,0,0,0|1,0,1]=4 1488 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,2,0,0,0,0|1,0,1]=4 1489 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|0,0,2]=4 1490 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|0,0,2]=4 1491 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,2,0,0,0,0|1,0,1]=4 1492 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|0,0,0]=2 1493 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 1494 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 1495 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,2,0,0,0,0|1,0,1]=4 1496 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|1,0,1]=4 1497 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,2,0,0,0,0|1,0,1]=4 1498 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,2,0,0,0,0|1,0,1]=4 1499 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,2,0,0,0,0|0,0,2]=4 1500 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,2,0,0,0,0|0,0,2]=4 1501 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,2,0,0,0,0|1,0,1]=4 1502 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,2,0,0,0,0|1,0,1]=4 1503 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [0,2,0,0,0,0|1,0,1]=4 1504 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|0,0,0]=2 1505 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,2,0,0,0,0|1,0,1]=4 1506 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,2,0,0,0,0|0,0,2]=4 1507 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|2,0,0]=4 1508 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|2,0,0]=4 1509 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,2,0,0,0,0|1,0,1]=4 1510 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,2,0,0,0,0|1,0,1]=4 1511 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|0,0,2]=4 1512 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|0,0,2]=4 1513 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|1,0,1]=4 1514 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|1,0,1]=4 1515 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,2,0,0,0,0|1,0,1]=4 1516 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|0,0,0]=2 1517 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,2,0,0,0,0|1,0,1]=4 1518 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,2,0,0,0,0|1,0,1]=4 1519 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|0,0,2]=4 1520 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|0,0,2]=4 1521 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|0,0,2]=4 1522 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|2,0,0]=4 1523 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|2,0,0]=4 1524 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,2,0,0,0,0|1,0,1]=4 1525 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|0,0,0]=2 1526 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,2,0,0,0,0|1,0,1]=4 1527 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,2,0,0,0,0|1,0,1]=4 1528 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,2,0,0,0,0|1,0,1]=4 1529 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|0,0,2]=4 1530 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,2,0,0,0,0|1,0,1]=4 1531 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,2,0,0,0,0|1,0,1]=4 1532 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|0,0,0]=2 1533 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|0,0,0]=2 1534 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,2,0,0,0,0|1,0,1]=4 1535 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,2,0,0,0,0|1,0,1]=4 1536 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|0,0,2]=4 1537 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|0,0,2]=4 1538 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|2,0,0]=4 1539 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|2,0,0]=4 1540 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|2,0,0]=4 1541 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|2,0,0]=4 1542 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,2,0,0,0,0|1,0,1]=4 1543 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,2,0,0,0,0|1,0,1]=4 1544 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,2,0,0,0,0|1,0,1]=4 1545 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,2,0,0,0,0|1,0,1]=4 1546 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,2,0,0,0,0|1,0,1]=4 1547 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,2,0,0,0,0|1,0,1]=4 1548 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|1,0,1]=4 1549 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|1,0,1]=4 1550 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|1,0,1]=4 1551 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|1,0,1]=4 1552 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|1,0,1]=4 1553 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,2,0,0,0,0|1,0,1]=4 1554 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,2,0,0,0,0|1,0,1]=4 1555 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,2,0,0,0,0|1,0,1]=4 1556 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,2,0,0,0,0|1,0,1]=4 1557 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,2,0,0,0,0|1,0,1]=4 1558 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,2,0,0,0,0|1,0,1]=4 1559 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|1,0,1]=4 1560 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|1,0,1]=4 1561 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 1562 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 1563 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,2,0,0,0,0|1,0,1]=4 1564 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|1,0,1]=4 1565 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,2,0,0,0,0|1,0,1]=4 1566 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,2,0,0,0,0|1,0,1]=4 1567 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,2,0,0,0,0|1,0,1]=4 1568 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|1,0,1]=4 1569 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|1,0,1]=4 1570 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,2,0,0,0,0|1,0,1]=4 1571 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,2,0,0,0,0|1,0,1]=4 1572 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,2,0,0,0,0|1,0,1]=4 1573 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,2,0,0,0,0|1,0,1]=4 1574 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,2,0,0,0,0|1,0,1]=4 1575 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,2,0,0,0,0|1,0,1]=4 1576 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,2,0,0,0,0|1,0,1]=4 1577 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,2,0,0,0,0|1,0,1]=4 1578 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|1,0,1]=4 1579 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|1,0,1]=4 1580 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|1,0,1]=4 1581 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|1,0,1]=4 1582 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1583 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|1,0,1]=4 1584 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1585 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|1,0,1]=4 1586 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|1,0,1]=4 1587 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|1,0,1]=4 1588 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|1,0,1]=4 1589 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|1,0,1]=4 1590 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|1,0,1]=4 1591 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|1,0,1]=4 1592 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|1,0,1]=4 1593 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|1,0,1]=4 1594 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,2,0,0,0,0|1,0,1]=4 1595 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,2,0,0,0,0|1,0,1]=4 1596 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|1,0,1]=4 1597 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|1,0,1]=4 1598 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|1,0,1]=4 1599 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|0,0,2]=4 1600 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,2,0,0,0,0|0,1,1]=4 1601 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,2,0,0,0,0|1,0,1]=4 1602 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,2,0,0,0,0|1,0,1]=4 1603 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 1604 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,2,0,0,0,0|1,0,1]=4 1605 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|0,0,2]=4 1606 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,2,0,0,0,0|1,0,1]=4 1607 B7R0.3 COC(C)SCC#N 62a_100009879195_100011215382 [0,2,0,0,0,0|1,0,1]=4 1608 B7R0.3 COC(C)SCC#N 62a_100011215382_100009879195 [0,2,0,0,0,0|1,0,1]=4 1609 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|0,0,0]=2 1610 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|0,0,0]=2 1611 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,2,0,0,0,0|1,0,1]=4 1612 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,2,0,0,0,0|1,0,1]=4 1613 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|0,0,2]=4 1614 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|0,0,2]=4 1615 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,2,0,0,0,0|2,0,0]=4 1616 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,2,0,0,0,0|2,0,0]=4 1617 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|0,0,2]=4 1618 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,2,0,0,0,0|2,0,0]=4 1619 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|2,0,0]=4 1620 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,2,0,0,0,0|2,0,0]=4 1621 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,2,0,0,0,0|2,0,0]=4 1622 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|2,0,0]=4 1623 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|2,0,0]=4 1624 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,2,0,0,0,0|2,0,0]=4 1625 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,2,0,0,0,0|2,0,0]=4 1626 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 1627 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,2,0,0,0,0|2,0,0]=4 1630 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,2,0,0,0,0|1,0,1]=4 1631 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,2,0,0,0,0|1,0,1]=4 1632 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,2,0,0,0,0|1,0,1]=4 1633 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|0,0,0]=2 1634 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,2,0,0,0,0|1,0,1]=4 1635 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,2,0,0,0,0|0,0,2]=4 1636 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [0,2,0,0,0,0|1,0,1]=4 1637 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [0,2,0,0,0,0|1,0,1]=4 1638 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|0,0,0]=2 1639 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|0,0,0]=2 1640 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,2,0,0,0,0|1,0,1]=4 1641 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,2,0,0,0,0|1,0,1]=4 1642 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,2,0,0,0,0|0,0,2]=4 1643 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,2,0,0,0,0|0,0,2]=4 1644 B7R0.3 N#CC(F)SCC=O 62a_200000117898_200015260668 [0,2,0,0,0,0|1,0,1]=4 1645 B7R0.3 N#CC(F)SCC=O 62a_200015260668_200000117898 [0,2,0,0,0,0|1,0,1]=4 1646 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|1,0,1]=4 1647 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|1,0,1]=4 1648 B7R0.5 C#CCN(C)C(C)C 2230a_100000225692_100000210206 [0,2,0,0,0,0|1,0,1]=4 1649 B7R0.5 C#CCN(C)C(C)C 34a_100000225692_100000210206 [0,2,0,0,0,0|1,0,1]=4 1650 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,0]=3 1651 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,0]=3 1652 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,2,0,0,0,0|2,0,0]=4 1653 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1654 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1656 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1657 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|2,0,0]=4 1658 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|2,0,0]=4 1659 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|1,0,0]=3 1660 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|1,0,0]=3 1661 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|2,0,0]=4 1662 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|2,0,0]=4 1663 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|2,0,0]=4 1664 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|2,0,0]=4 1665 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|1,0,0]=3 1666 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|1,0,0]=3 1667 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|1,0,0]=3 1668 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|1,0,0]=3 1669 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|1,0,0]=3 1670 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|1,0,0]=3 1671 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|1,0,0]=3 1672 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|1,0,1]=4 1673 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|0,0,2]=4 1674 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|2,0,0]=4 1675 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|2,0,0]=4 1676 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|1,0,1]=4 1677 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|1,0,1]=4 1678 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|1,0,1]=4 1679 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|1,0,1]=4 1680 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,0,2]=4 1683 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,0,2]=4 1684 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|2,0,0]=4 1685 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|2,0,0]=4 1686 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|1,0,1]=4 1687 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 1688 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 1689 B7R0.5 CC(C)N(C)CC#N 2230a_100000748184_100000210206 [0,2,0,0,0,0|1,0,1]=4 1690 B7R0.5 CC(C)N(C)CC#N 269982a_200000211004_100011214920 [0,2,0,0,0,0|1,0,1]=4 1691 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|0,0,0]=2 1692 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [0,2,0,0,0,0|1,0,1]=4 1693 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,2,0,0,0,0|0,0,2]=4 1694 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,2,0,0,0,0|0,0,2]=4 1695 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,2,0,0,0,0|0,0,2]=4 1696 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,2,0,0,0,0|0,0,2]=4 1697 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,2,0,0,0,0|0,0,2]=4 1698 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,2,0,0,0,0|0,0,2]=4 1699 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,2,0,0,0,0|0,0,2]=4 1700 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 1701 B7R0.5 CC(CC#N)N(C)C 2230a_100102631434_100009813641 [0,2,0,0,0,0|1,0,1]=4 1702 B7R0.5 CC(CC#N)N(C)C 269982a_100102631434_100009813641 [0,2,0,0,0,0|1,0,1]=4 1703 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,2,0,0,0,0|0,0,2]=4 1704 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,2,0,0,0,0|0,0,2]=4 1705 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,2,0,0,0,0|0,0,2]=4 1706 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,2,0,0,0,0|0,0,2]=4 1707 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,2,0,0,0,0|0,0,2]=4 1708 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,2,0,0,0,0|0,0,2]=4 1709 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|1,0,1]=4 1710 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|1,0,1]=4 1711 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|1,0,1]=4 1712 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|1,0,1]=4 1713 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|1,0,1]=4 1714 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|1,0,1]=4 1715 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,2,0,0,0,0|1,0,1]=4 1716 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,2,0,0,0,0|1,0,1]=4 1717 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,2,0,0,0,0|1,0,1]=4 1718 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,2,0,0,0,0|1,0,1]=4 1719 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,2,0,0,0,0|1,0,1]=4 1720 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,2,0,0,0,0|1,0,1]=4 1721 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,2,0,0,0,0|1,0,1]=4 1722 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,2,0,0,0,0|1,0,1]=4 1723 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,2,0,0,0,0|1,0,1]=4 1724 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,2,0,0,0,0|1,0,1]=4 1725 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,0,1]=4 1727 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 1728 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|2,0,0]=4 1729 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 1730 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 1731 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 1732 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|2,0,0]=4 1733 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|2,0,0]=4 1734 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|2,0,0]=4 1735 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|2,0,0]=4 1736 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|2,0,0]=4 1737 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|2,0,0]=4 1738 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|2,0,0]=4 1739 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|2,0,0]=4 1740 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|2,0,0]=4 1741 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|2,0,0]=4 1742 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,2,0,0,0,0|2,0,0]=4 1743 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 1744 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|2,0,0]=4 1745 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|2,0,0]=4 1746 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|2,0,0]=4 1748 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|2,0,0]=4 1749 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|2,0,0]=4 1750 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,2,0,0,0,0|2,0,0]=4 1751 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1752 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1753 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 1754 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 1755 B7R0.7 C#CCN(C)CC=C 2230a_100000225617_100000038162 [0,2,0,0,0,0|2,0,0]=4 1756 B7R0.7 C#CCN(C)CC=C 2230a_100000225692_100000210623 [0,2,0,0,0,0|2,0,0]=4 1757 B7R0.7 C#CCN(C)CC=C 2230a_100000731024_200000210301 [0,2,0,0,0,0|2,0,0]=4 1758 B7R0.7 C#CCN(C)CC=C 34a_100000225692_100015514636 [0,2,0,0,0,0|2,0,0]=4 1759 B7R0.7 C#CCN(C)CC=C 34a_100000731024_200000210301 [0,2,0,0,0,0|2,0,0]=4 1760 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,2,0,0,0,0|1,0,0]=3 1761 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,2,0,0,0,0|1,0,0]=3 1762 B7R0.7 C#CCN([13CH3])CC=C 2230a_100000731024_200025704644 [0,2,0,0,0,0|2,0,0]=4 1763 B7R0.7 C#CCN([13CH3])CC=C 34a_100000731024_200025704644 [0,2,0,0,0,0|2,0,0]=4 1764 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 1765 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|1,0,1]=4 1766 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1767 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1768 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1769 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1770 B7R0.7 C=CCN(C)CC#N 2230a_100000225617_100011215382 [0,2,0,0,0,0|2,0,0]=4 1771 B7R0.7 C=CCN(C)CC#N 2230a_100000748184_100000210623 [0,2,0,0,0,0|2,0,0]=4 1772 B7R0.7 C=CCN(C)CC#N 269982a_100000225617_100011214920 [0,2,0,0,0,0|2,0,0]=4 1773 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [0,2,0,0,0,0|2,0,0]=4 1774 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [0,2,0,0,0,0|2,0,0]=4 1775 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [0,2,0,0,0,0|2,0,0]=4 1776 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [0,2,0,0,0,0|2,0,0]=4 1777 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|1,0,0]=3 1778 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|1,0,0]=3 1779 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1780 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1781 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1782 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1783 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1784 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1785 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1786 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1790 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1791 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1792 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1793 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [0,2,0,0,0,0|2,0,0]=4 1794 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [0,2,0,0,0,0|2,0,0]=4 1795 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 1796 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 1797 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|1,0,0]=3 1798 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|1,0,0]=3 1799 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1800 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1801 B7R0.7 CC(CC#N)SCF 62a_100009813641_100015361967 [0,2,0,0,0,0|1,0,1]=4 1802 B7R0.7 CC(CC#N)SCF 62a_100015361967_100009813641 [0,2,0,0,0,0|1,0,1]=4 1803 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,2,0,0,0,0|1,0,1]=4 1804 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|1,0,1]=4 1805 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|0,0,2]=4 1806 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|0,0,2]=4 1807 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,2,0,0,0,0|1,0,1]=4 1808 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,2,0,0,0,0|1,0,1]=4 1809 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,2,0,0,0,0|1,0,1]=4 1810 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,2,0,0,0,0|1,0,1]=4 1811 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1812 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|1,0,1]=4 1813 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1814 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1815 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1816 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|1,0,1]=4 1817 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|1,0,1]=4 1818 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|1,0,1]=4 1819 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|1,0,1]=4 1820 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,2,0,0,0,0|1,0,1]=4 1821 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,2,0,0,0,0|1,0,1]=4 1822 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,2,0,0,0,0|1,0,1]=4 1823 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 1824 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,1]=4 1825 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 1826 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 1827 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 1828 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,2,0,0,0,0|1,0,1]=4 1829 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,2,0,0,0,0|1,0,1]=4 1830 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,2,0,0,0,0|1,0,1]=4 1831 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,2,0,0,0,0|1,0,1]=4 1832 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|1,0,0]=3 1833 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|1,0,0]=3 1834 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,2,0,0,0,0|1,0,1]=4 1835 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|0,0,2]=4 1836 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|2,0,0]=4 1837 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|2,0,0]=4 1838 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|2,0,0]=4 1839 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,2,0,0,0,0|1,0,1]=4 1840 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 1841 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 1842 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|2,0,0]=4 1843 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|1,0,1]=4 1844 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|0,0,2]=4 1845 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|2,0,0]=4 1846 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|2,0,0]=4 1847 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,2,0,0,0,0|1,0,1]=4 1848 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,2,0,0,0,0|1,0,1]=4 1849 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|0,0,2]=4 1850 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|0,0,2]=4 1851 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|2,0,0]=4 1852 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|2,0,0]=4 1853 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,2,0,0,0,0|1,0,0]=3 1854 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 1855 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 1856 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,2,0,0,0,0|1,0,1]=4 1857 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,2,0,0,0,0|2,0,0]=4 1860 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,2,0,0,0,0|0,0,2]=4 1861 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|1,0,1]=4 1862 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|1,0,1]=4 1863 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,2,0,0,0,0|2,0,0]=4 1864 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1865 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1866 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1867 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1868 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|1,0,1]=4 1869 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|1,0,1]=4 1870 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|1,0,1]=4 1871 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|1,0,1]=4 1872 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|1,0,0]=3 1874 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,2,0,0,0,0|1,0,1]=4 1875 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,2,0,0,0,0|2,0,0]=4 1877 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,2,0,0,0,0|2,0,0]=4 1878 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,2,0,0,0,0|2,0,0]=4 1879 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|2,0,0]=4 1880 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|2,0,0]=4 1881 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|1,0,1]=4 1882 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|1,0,1]=4 1883 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,2,0,0,0,0|2,0,0]=4 1886 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,2,0,0,0,0|2,0,0]=4 1887 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,2,0,0,0,0|2,0,0]=4 1889 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,2,0,0,0,0|2,0,0]=4 1890 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,2,0,0,0,0|2,0,0]=4 1891 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,2,0,0,0,0|2,0,0]=4 1892 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,2,0,0,0,0|1,0,1]=4 1893 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,2,0,0,0,0|2,0,0]=4 1895 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,2,0,0,0,0|2,0,0]=4 1901 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,2,0,0,0,0|2,0,0]=4 1903 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,2,0,0,0,0|2,0,0]=4 1904 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,2,0,0,0,0|2,0,0]=4 1905 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,2,0,0,0,0|2,0,0]=4 1906 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1907 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1908 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1909 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1910 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1911 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1912 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1913 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1914 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1915 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,2,0,0,0,0|2,0,0]=4 1916 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1917 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|1,0,0]=3 1918 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|1,0,0]=3 1919 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1920 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 1921 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,2,0,0,0,0|2,0,0]=4 1922 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,2,0,0,0,0|2,0,0]=4 1924 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1926 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|2,0,0]=4 1927 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|2,0,0]=4 1928 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|2,0,0]=4 1929 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,2,0,0,0,0|2,0,0]=4 1930 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,2,0,0,0,0|2,0,0]=4 1931 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,2,0,0,0,0|2,0,0]=4 1932 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|2,0,0]=4 1936 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|2,0,0]=4 1940 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|2,0,0]=4 1941 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|2,0,0]=4 1942 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,2,0,0,0,0|1,0,1]=4 1943 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,2,0,0,0,0|1,0,1]=4 1944 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,2,0,0,0,0|1,0,1]=4 1945 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,2,0,0,0,0|1,0,1]=4 1946 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1947 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1948 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1949 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1950 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|1,0,1]=4 1951 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|1,0,1]=4 1952 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|1,0,1]=4 1953 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|1,0,1]=4 1954 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1955 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|1,0,1]=4 1956 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1957 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|1,0,1]=4 1958 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,2,0,0,0,0|1,0,0]=3 1959 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,2,0,0,0,0|1,0,0]=3 1960 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,2,0,0,0,0|1,0,0]=3 1961 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,2,0,0,0,0|1,0,1]=4 1962 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,2,0,0,0,0|1,0,1]=4 1963 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,2,0,0,0,0|2,0,0]=4 1964 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|2,0,0]=4 1965 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,2,0,0,0,0|2,0,0]=4 1966 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,2,0,0,0,0|2,0,0]=4 1967 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,2,0,0,0,0|2,0,0]=4 1968 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,2,0,0,0,0|2,0,0]=4 1969 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,2,0,0,0,0|2,0,0]=4 1970 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,2,0,0,0,0|2,0,0]=4 1971 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,2,0,0,0,0|2,0,0]=4 1972 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,2,0,0,0,0|2,0,0]=4 1973 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,2,0,0,0,0|2,0,0]=4 1974 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|2,0,0]=4 1975 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|2,0,0]=4 1976 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 1977 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 1978 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,2,0,0,0,0|2,0,0]=4 1979 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|2,0,0]=4 1980 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,2,0,0,0,0|2,0,0]=4 1981 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,2,0,0,0,0|2,0,0]=4 1982 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|0,0,0]=2 1983 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|0,0,0]=2 1984 B7R0.9 CC(=O)CC(F)(F)F 1458a_100000245130_200000210301 [0,2,0,0,0,0|2,0,0]=4 1985 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|2,0,0]=4 1986 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|1,0,0]=3 1987 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|0,1,0]=3 1988 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|0,1,0]=3 1989 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|1,0,0]=3 1990 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|1,0,0]=3 1991 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|1,0,0]=3 1992 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|1,0,0]=3 1993 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|0,0,0]=2 1994 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|0,0,0]=2 1995 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,2,0,0,0,0|2,0,0]=4 1996 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,2,0,0,0,0|2,0,0]=4 1997 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,2,0,0,0,0|2,0,0]=4 1998 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,2,0,0,0,0|2,0,0]=4 1999 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,2,0,0,0,0|2,0,0]=4 2000 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,2,0,0,0,0|2,0,0]=4 2001 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,2,0,0,0,0|2,0,0]=4 2002 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,2,0,0,0,0|2,0,0]=4 2003 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,2,0,0,0,0|2,0,0]=4 2004 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|2,0,0]=4 2005 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|1,0,0]=3 2006 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|0,1,0]=3 2007 B7R0.9 [13CH3]C(=O)CC(F)(F)F 1458a_100000245130_200025704644 [0,2,0,0,0,0|2,0,0]=4 2008 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|1,0,1]=4 2009 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,2,0,0,0,0|1,0,1]=4 2010 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|1,0,1]=4 2012 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|0,0,0]=2 2013 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|1,0,0]=3 2014 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|1,0,0]=3 2015 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|1,0,1]=4 2016 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|1,0,1]=4 2017 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 2018 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 2019 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 2020 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|1,0,0]=3 2021 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|1,0,0]=3 2022 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|0,0,0]=2 2023 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,2,0,0,0,0|1,0,0]=3 2024 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,2,0,0,0,0|1,0,0]=3 2025 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,2,0,0,0,0|1,0,0]=3 2026 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,2,0,0,0,0|1,0,0]=3 2027 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|0,0,0]=2 2028 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,2,0,0,0,0|2,0,0]=4 2029 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,2,0,0,0,0|2,0,0]=4 2030 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,2,0,0,0,0|2,0,0]=4 2031 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,2,0,0,0,0|2,0,0]=4 2032 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|0,0,0]=2 2033 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,2,0,0,0,0|1,0,1]=4 2034 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,2,0,0,0,0|1,0,1]=4 2035 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,2,0,0,0,0|1,0,0]=3 2036 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,2,0,0,0,0|1,0,0]=3 2037 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|1,0,0]=3 2038 B7R0.13 C=CC(F)(F)N(C)C 269982a_100102631434_100009814244 [0,2,0,0,0,0|2,0,0]=4 2039 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,2,0,0,0,0|2,0,0]=4 2040 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|2,0,0]=4 2041 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,2,0,0,0,0|2,0,0]=4 2042 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|2,0,0]=4 2044 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|2,0,0]=4 2045 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,2,0,0,0,0|2,0,0]=4 2046 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,2,0,0,0,0|2,0,0]=4 2047 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2049 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2050 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2051 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2052 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|1,0,0]=3 2053 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|1,0,0]=3 2054 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|1,0,0]=3 2055 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|1,0,0]=3 2056 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 2057 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 2058 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 2059 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 2060 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 2061 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,2,0,0,0,0|1,0,1]=4 2062 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2063 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2064 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2065 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2066 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [0,2,0,0,0,0|1,0,0]=3 2067 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 2068 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 2069 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 2070 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 2071 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 2072 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,2,0,0,0,0|1,0,1]=4 2073 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,2,0,0,0,0|1,0,1]=4 2074 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,2,0,0,0,0|1,0,1]=4 2075 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,2,0,0,0,0|1,0,1]=4 2076 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,2,0,0,0,0|1,0,1]=4 2077 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,2,0,0,0,0|1,0,1]=4 2078 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,2,0,0,0,0|1,0,1]=4 2079 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,2,0,0,0,0|1,0,1]=4 2080 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,2,0,0,0,0|1,0,1]=4 2081 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,2,0,0,0,0|1,0,1]=4 2082 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,2,0,0,0,0|1,0,1]=4 2083 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,2,0,0,0,0|1,0,1]=4 2084 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,2,0,0,0,0|1,0,1]=4 2085 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,2,0,0,0,0|1,0,0]=3 2086 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,2,0,0,0,0|1,0,0]=3 2087 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,2,0,0,0,0|1,0,0]=3 2088 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,2,0,0,0,0|1,0,0]=3 2089 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,2,0,0,0,0|1,0,0]=3 2090 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,2,0,0,0,0|0,0,2]=4 2091 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,2,0,0,0,0|0,0,2]=4 2092 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,2,0,0,0,0|0,0,2]=4 2093 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,2,0,0,0,0|2,0,0]=4 2094 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,2,0,0,0,0|1,0,0]=3 2096 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,2,0,0,0,0|1,0,0]=3 2097 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,2,0,0,0,0|1,0,0]=3 2098 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,2,0,0,0,0|1,0,0]=3 2099 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,2,0,0,0,0|1,0,0]=3 2100 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,2,0,0,0,0|1,0,0]=3 2101 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,2,0,0,0,0|1,0,0]=3 2102 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,2,0,0,0,0|1,0,0]=3 2103 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,2,0,0,0,0|1,0,0]=3 2104 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,2,0,0,0,0|1,0,0]=3 2105 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,2,0,0,0,0|1,0,0]=3 2106 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,2,0,0,0,0|2,0,0]=4 2107 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,2,0,0,0,0|2,0,0]=4 2108 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,2,0,0,0,0|2,0,0]=4 2109 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,2,0,0,0,0|2,0,0]=4 2111 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,2,0,0,0,0|1,0,0]=3 2112 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,2,0,0,0,0|1,0,0]=3 2113 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,2,0,0,0,0|2,0,0]=4 2116 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,2,0,0,0,0|2,0,0]=4 2117 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,2,0,0,0,0|2,0,0]=4 2118 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,2,0,0,0,0|1,0,0]=3 2119 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,2,0,0,0,0|1,0,0]=3 2120 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,2,0,0,0,0|2,0,0]=4 2121 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,2,0,0,0,0|2,0,0]=4 2124 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 2125 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [0,2,0,0,0,0|1,0,1]=4 2127 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [0,2,0,0,0,0|1,0,1]=4 2128 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [0,2,0,0,0,0|1,0,1]=4 2129 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [0,2,0,0,0,0|1,0,1]=4 2130 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,2,0,0,0,0|1,0,1]=4 2131 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,2,0,0,0,0|1,0,1]=4 2132 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [0,2,0,0,0,0|1,0,1]=4 2133 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [0,2,0,0,0,0|1,0,1]=4 2134 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,2,0,0,0,0|1,0,1]=4 2135 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,2,0,0,0,0|1,0,0]=3 2136 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,2,0,0,0,0|1,0,1]=4 2137 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,2,0,0,0,0|1,0,1]=4 2138 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,2,0,0,0,0|0,0,2]=4 2139 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,2,0,0,0,0|0,0,2]=4 2140 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,2,0,0,0,0|0,1,1]=4 2141 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,2,0,0,0,0|0,1,1]=4 2142 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,2,0,0,0,0|0,0,2]=4 2143 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,2,0,0,0,0|0,0,2]=4 2144 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,2,0,0,0,0|0,1,1]=4 2145 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,2,0,0,0,0|0,1,1]=4 2146 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,2,0,0,0,0|1,0,1]=4 2147 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,2,0,0,0,0|0,0,0]=2 2148 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,2,0,0,0,0|0,0,0]=2 2149 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,2,0,0,0,0|1,0,1]=4 2150 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,2,0,0,0,0|1,0,1]=4 2151 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,2,0,0,0,0|1,0,1]=4 2152 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,2,0,0,0,0|0,0,2]=4 2153 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,2,0,0,0,0|0,0,2]=4 2154 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,2,0,0,0,0|0,0,2]=4 2155 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,2,0,0,0,0|0,0,2]=4 2156 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,2,0,0,0,0|0,0,2]=4 2157 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,2,0,0,0,0|0,0,0]=2 2158 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,2,0,0,0,0|1,0,1]=4 2159 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,2,0,0,0,0|1,0,1]=4 2160 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,2,0,0,0,0|1,0,1]=4 2161 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,2,0,0,0,0|0,0,2]=4 2162 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,2,0,0,0,0|1,0,1]=4 2163 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,2,0,0,0,0|1,0,1]=4 2164 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,2,0,0,0,0|0,0,0]=2 2165 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,2,0,0,0,0|0,0,0]=2 2166 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,2,0,0,0,0|1,0,1]=4 2167 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,2,0,0,0,0|1,0,1]=4 2168 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,2,0,0,0,0|0,0,2]=4 2169 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,2,0,0,0,0|0,0,2]=4 2170 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,2,0,0,0,0|1,0,1]=4 2171 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,2,0,0,0,0|1,0,1]=4 2172 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,2,0,0,0,0|1,0,1]=4 2173 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,2,0,0,0,0|1,0,1]=4 2174 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,2,0,0,0,0|1,0,1]=4 2175 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,2,0,0,0,0|0,0,2]=4 2176 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,2,0,0,0,0|0,0,2]=4 2177 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,2,0,0,0,0|0,0,2]=4 2178 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,2,0,0,0,0|1,0,1]=4 2179 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,2,0,0,0,0|1,0,1]=4 2180 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,2,0,0,0,0|1,0,1]=4 2181 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,2,0,0,0,0|1,0,1]=4 2182 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,2,0,0,0,0|1,0,1]=4 2183 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|0,0,2]=4 2184 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,2,0,0,0,0|1,0,1]=4 2185 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,2,0,0,0,0|1,0,1]=4 2186 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,2,0,0,0,0|0,0,2]=4 2187 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|0,0,2]=4 2188 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|0,0,2]=4 2189 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,2,0,0,0,0|0,1,1]=4 2190 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,2,0,0,0,0|0,1,1]=4 2191 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,2,0,0,0,0|1,0,1]=4 2192 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,2,0,0,0,0|1,0,1]=4 2193 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,2,0,0,0,0|1,0,1]=4 2194 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,2,0,0,0,0|1,0,1]=4 2195 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,2,0,0,0,0|1,0,1]=4 2196 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,2,0,0,0,0|1,0,1]=4 2197 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,2,0,0,0,0|0,0,2]=4 2198 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,2,0,0,0,0|0,0,2]=4 2199 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,2,0,0,0,0|1,0,1]=4 2200 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,2,0,0,0,0|1,0,1]=4 2201 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,2,0,0,0,0|0,0,2]=4 2202 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,2,0,0,0,0|0,0,2]=4 2203 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,2,0,0,0,0|0,1,1]=4 2204 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,2,0,0,0,0|0,1,1]=4 2205 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [0,2,0,0,0,0|1,0,1]=4 2206 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [0,2,0,0,0,0|1,0,1]=4 2207 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,2,0,0,0,0|1,0,0]=3 2209 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|1,0,0]=3 2210 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,2,0,0,0,0|1,0,0]=3 2211 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,2,0,0,0,0|1,0,0]=3 2212 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 2213 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,2,0,0,0,0|1,0,0]=3 2215 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,2,0,0,0,0|1,0,0]=3 2216 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,2,0,0,0,0|1,0,0]=3 2217 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,2,0,0,0,0|1,0,0]=3 2218 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,2,0,0,0,0|1,0,0]=3 2219 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,2,0,0,0,0|2,0,0]=4 2220 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,2,0,0,0,0|2,0,0]=4 2221 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,2,0,0,0,0|1,0,1]=4 2222 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,2,0,0,0,0|1,0,1]=4 2223 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,2,0,0,0,0|1,0,1]=4 2224 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,2,0,0,0,0|1,0,1]=4 2225 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,2,0,0,0,0|1,0,1]=4 2226 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,2,0,0,0,0|1,0,1]=4 2227 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,2,0,0,0,0|1,0,1]=4 2228 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,2,0,0,0,0|1,0,1]=4 2229 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,2,0,0,0,0|1,0,1]=4 2230 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,2,0,0,0,0|1,0,1]=4 2231 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,2,0,0,0,0|1,0,1]=4 2232 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,2,0,0,0,0|1,0,1]=4 2233 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,2,0,0,0,0|1,0,1]=4 2234 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,2,0,0,0,0|1,0,1]=4 2235 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,2,0,0,0,0|1,0,1]=4 2236 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,2,0,0,0,0|1,0,1]=4 2237 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,2,0,0,0,0|1,0,1]=4 2238 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,2,0,0,0,0|1,0,1]=4 2239 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,2,0,0,0,0|1,0,1]=4 2240 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|0,0,2]=4 2241 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|0,0,2]=4 2242 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|0,0,2]=4 2243 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,2,0,0,0,0|1,0,1]=4 2244 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,2,0,0,0,0|1,0,1]=4 2245 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,2,0,0,0,0|1,0,1]=4 2246 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,2,0,0,0,0|0,1,1]=4 2247 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,2,0,0,0,0|0,1,1]=4 2248 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,2,0,0,0,0|1,0,1]=4 2249 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,2,0,0,0,0|1,0,1]=4 2250 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,2,0,0,0,0|1,0,0]=3 2251 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,2,0,0,0,0|1,0,0]=3 2252 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,2,0,0,0,0|1,0,1]=4 2253 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,2,0,0,0,0|1,0,1]=4 2254 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,2,0,0,0,0|1,0,1]=4 2255 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,2,0,0,0,0|1,0,1]=4 2256 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,2,0,0,0,0|1,0,1]=4 2257 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,2,0,0,0,0|1,0,1]=4 2258 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,2,0,0,0,0|1,0,1]=4 2259 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,2,0,0,0,0|1,0,1]=4 2260 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,2,0,0,0,0|1,0,1]=4 2261 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,2,0,0,0,0|1,0,1]=4 2262 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,2,0,0,0,0|1,0,1]=4 2263 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,2,0,0,0,0|1,0,1]=4 2264 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,2,0,0,0,0|1,0,1]=4 2265 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,2,0,0,0,0|1,0,1]=4 2266 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,2,0,0,0,0|1,0,1]=4 2267 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,2,0,0,0,0|0,0,2]=4 2268 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,2,0,0,0,0|0,0,2]=4 2269 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,2,0,0,0,0|0,0,2]=4 2270 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,2,0,0,0,0|0,0,2]=4 2271 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,2,0,0,0,0|0,0,2]=4 2272 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,2,0,0,0,0|0,0,2]=4 2273 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,2,0,0,0,0|0,0,2]=4 2274 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|0,0,2]=4 2275 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|0,0,2]=4 2276 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|0,0,2]=4 2277 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|0,0,2]=4 2278 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|0,0,2]=4 2279 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,2,0,0,0,0|0,0,2]=4 2280 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,2,0,0,0,0|0,0,2]=4 2281 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,2,0,0,0,0|0,0,2]=4 2282 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,2,0,0,0,0|0,0,2]=4 2283 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,2,0,0,0,0|0,0,2]=4 2284 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,2,0,0,0,0|0,0,2]=4 2285 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,2,0,0,0,0|0,0,2]=4 2286 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,2,0,0,0,0|0,0,2]=4 2287 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,2,0,0,0,0|0,1,1]=4 2288 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,2,0,0,0,0|0,1,1]=4 2289 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,2,0,0,0,0|0,1,1]=4 2290 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,2,0,0,0,0|0,1,1]=4 2291 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,2,0,0,0,0|0,1,1]=4 2292 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,2,0,0,0,0|0,1,1]=4 2293 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,2,0,0,0,0|0,1,1]=4 2294 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,2,0,0,0,0|0,1,1]=4 2295 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,2,0,0,0,0|0,1,1]=4 2296 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,2,0,0,0,0|0,1,1]=4 2297 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,2,0,0,0,0|0,1,1]=4 2298 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,2,0,0,0,0|0,1,1]=4 2299 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,2,0,0,0,0|0,1,1]=4 2300 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,2,0,0,0,0|0,1,1]=4 2301 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,2,0,0,0,0|0,1,1]=4 2302 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,2,0,0,0,0|0,1,1]=4 2303 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,2,0,0,0,0|0,1,1]=4 2304 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,2,0,0,0,0|0,1,1]=4 2305 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,2,0,0,0,0|0,1,1]=4 2306 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,2,0,0,0,0|1,0,0]=3 2307 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,2,0,0,0,0|1,0,0]=3 2308 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,2,0,0,0,0|1,0,0]=3 2309 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,2,0,0,0,0|1,0,0]=3 2310 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,2,0,0,0,0|2,0,0]=4 2313 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,2,0,0,0,0|2,0,0]=4 2314 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|0,0,2]=4 2315 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|0,0,2]=4 2316 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|0,0,2]=4 2317 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|0,0,2]=4 2320 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|0,0,2]=4 2321 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|0,0,2]=4 2322 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|0,0,2]=4 2323 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,2,0,0,0,0|1,0,0]=3 2325 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,2,0,0,0,0|1,0,0]=3 2326 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,2,0,0,0,0|1,0,0]=3 2327 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|1,0,0]=3 2328 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|1,0,0]=3 2329 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,2,0,0,0,0|1,0,0]=3 2330 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,2,0,0,0,0|1,0,0]=3 2331 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,2,0,0,0,0|1,0,0]=3 2332 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,2,0,0,0,0|1,0,0]=3 2333 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,2,0,0,0,0|1,0,0]=3 2334 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,2,0,0,0,0|1,0,0]=3 2335 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,0,1]=3 2336 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,2,0,0,0,0|2,0,0]=4 2337 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,2,0,0,0,0|2,0,0]=4 2338 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|0,0,1]=3 2339 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,0,1]=3 2340 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,0,1]=3 2341 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|1,0,1]=4 2342 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,2,0,0,0,0|0,0,0]=2 2343 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,2,0,0,0,0|0,0,0]=2 2344 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|1,0,0]=3 2345 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,2,0,0,0,0|1,0,0]=3 2346 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,2,0,0,0,0|1,0,0]=3 2347 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 2348 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 2349 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 2350 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,2,0,0,0,0|0,0,0]=2 2351 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,2,0,0,0,0|0,0,0]=2 2352 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,2,0,0,0,0|2,0,0]=4 2353 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|1,0,1]=4 2354 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|0,0,0]=2 2355 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,2,0,0,0,0|2,0,0]=4 2356 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 2357 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 2358 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 2359 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 2360 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,2,0,0,0,0|0,0,0]=2 2361 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,2,0,0,0,0|0,0,0]=2 2362 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,2,0,0,0,0|0,0,0]=2 2363 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,2,0,0,0,0|0,0,0]=2 2364 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|1,0,0]=3 2365 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|1,0,0]=3 2366 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|1,0,0]=3 2367 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 2368 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 2369 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,2,0,0,0,0|2,0,0]=4 2370 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,2,0,0,0,0|2,0,0]=4 2371 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,2,0,0,0,0|1,0,0]=3 2372 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 2373 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,2,0,0,0,0|1,0,0]=3 2374 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|1,0,1]=4 2375 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,2,0,0,0,0|1,0,1]=4 2376 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|0,0,1]=3 2377 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,2,0,0,0,0|0,0,0]=2 2378 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,2,0,0,0,0|1,0,1]=4 2379 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,2,0,0,0,0|1,0,1]=4 2380 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,2,0,0,0,0|1,0,1]=4 2381 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,2,0,0,0,0|1,0,1]=4 2382 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,2,0,0,0,0|1,0,1]=4 2384 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,2,0,0,0,0|1,0,1]=4 2385 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,2,0,0,0,0|1,0,1]=4 2386 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,2,0,0,0,0|1,0,1]=4 2387 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,2,0,0,0,0|1,0,1]=4 2388 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,2,0,0,0,0|1,0,1]=4 2389 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,2,0,0,0,0|1,0,1]=4 2390 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,2,0,0,0,0|1,0,1]=4 2391 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,2,0,0,0,0|1,0,1]=4 2392 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|0,0,0]=2 2393 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|0,0,0]=2 2394 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|0,0,0]=2 2395 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|0,0,0]=2 2396 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,2,0,0,0,0|0,0,0]=2 2397 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,2,0,0,0,0|1,0,1]=4 2398 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,2,0,0,0,0|1,0,1]=4 2399 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,2,0,0,0,0|1,0,1]=4 2400 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,2,0,0,0,0|0,0,2]=4 2401 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,2,0,0,0,0|0,0,2]=4 2402 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,2,0,0,0,0|1,0,0]=3 2403 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|0,0,0]=2 2404 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,2,0,0,0,0|0,0,0]=2 2405 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,2,0,0,0,0|0,0,0]=2 2406 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,2,0,0,0,0|1,0,1]=4 2407 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,2,0,0,0,0|1,0,1]=4 2408 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,2,0,0,0,0|2,0,0]=4 2409 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,2,0,0,0,0|2,0,0]=4 2410 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,2,0,0,0,0|1,0,1]=4 2411 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,2,0,0,0,0|1,0,1]=4 2412 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,2,0,0,0,0|0,0,2]=4 2413 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,2,0,0,0,0|1,0,0]=3 2414 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|0,0,0]=2 2415 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|0,0,0]=2 2416 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|0,0,0]=2 2417 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|0,0,0]=2 2418 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|0,0,0]=2 2419 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,2,0,0,0,0|1,0,1]=4 2420 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,2,0,0,0,0|1,0,1]=4 2421 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,2,0,0,0,0|0,0,2]=4 2422 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,2,0,0,0,0|0,0,2]=4 2423 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,2,0,0,0,0|1,0,0]=3 2424 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,2,0,0,0,0|1,0,1]=4 2425 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,2,0,0,0,0|0,0,2]=4 2426 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,2,0,0,0,0|0,0,2]=4 2427 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,2,0,0,0,0|0,0,2]=4 2428 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,2,0,0,0,0|0,0,2]=4 2429 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,2,0,0,0,0|0,0,2]=4 2430 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,2,0,0,0,0|0,0,2]=4 2431 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,2,0,0,0,0|0,0,2]=4 2432 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|1,0,0]=3 2433 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|1,0,0]=3 2434 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|1,0,0]=3 2435 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|1,0,0]=3 2436 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,2,0,0,0,0|1,0,0]=3 2437 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 2439 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,2,0,0,0,0|2,0,0]=4 2440 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,2,0,0,0,0|2,0,0]=4 2441 B7R0.8 C#CCNC(C)(C)C 2230a_100000715429_100000038162 [0,2,0,0,0,0|1,0,1]=4 2442 B7R0.8 C#CCNC(C)(C)C 34a_100000212058_100000210625 [0,2,0,0,0,0|1,0,1]=4 2443 B7R0.8 C#CCOC(C)(C)C 34a_100000210247_100000210625 [0,2,0,0,0,0|1,0,1]=4 2444 B7R0.8 C#CCOC(C)(C)C 34a_100015890283_100000184674 [0,2,0,0,0,0|1,0,1]=4 2445 B7R0.8 C#CCOC(C)(C)C 7a_100015890283_100000038162 [0,2,0,0,0,0|1,0,1]=4 2446 B7R0.8 C#CCSC(C)(C)C 62a_100000038162_100000211941 [0,2,0,0,0,0|1,0,1]=4 2447 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,2,0,0,0,0|1,0,0]=3 2448 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,2,0,0,0,0|1,0,0]=3 2449 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,2,0,0,0,0|1,0,0]=3 2450 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,2,0,0,0,0|1,0,0]=3 2451 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,2,0,0,0,0|1,0,0]=3 2452 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,2,0,0,0,0|1,0,0]=3 2453 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,2,0,0,0,0|1,0,1]=4 2454 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,2,0,0,0,0|0,0,2]=4 2455 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,2,0,0,0,0|0,1,1]=4 2456 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,2,0,0,0,0|0,1,1]=4 2457 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [0,2,0,0,0,0|1,0,1]=4 2458 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [0,2,0,0,0,0|1,0,1]=4 2459 B7R0.8 CC(C)(C)NCC#N 2230a_100000715429_100011215382 [0,2,0,0,0,0|1,0,1]=4 2460 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,2,0,0,0,0|0,0,0]=2 2461 B7R0.8 CC(C)(C)NCCF 2230a_100000715429_100011217306 [0,2,0,0,0,0|1,0,1]=4 2462 B7R0.8 CC(C)(C)NCCF 34a_100000724931_100000210625 [0,2,0,0,0,0|1,0,1]=4 2463 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,2,0,0,0,0|0,0,2]=4 2464 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,2,0,0,0,0|0,0,2]=4 2465 B7R0.8 CC(C)(C)OCC#N 7a_100015890283_100011215382 [0,2,0,0,0,0|1,0,1]=4 2466 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,2,0,0,0,0|0,0,0]=2 2467 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,2,0,0,0,0|0,0,0]=2 2468 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [0,2,0,0,0,0|1,0,1]=4 2469 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [0,2,0,0,0,0|1,0,1]=4 2470 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [0,2,0,0,0,0|1,0,1]=4 2471 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [0,2,0,0,0,0|1,0,1]=4 2472 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,2,0,0,0,0|0,0,2]=4 2473 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,2,0,0,0,0|0,0,2]=4 2474 B7R0.8 CC(C)(C)SCC#N 62a_100000211941_100011215382 [0,2,0,0,0,0|1,0,1]=4 2475 B7R0.8 CC(C)(C)SCC#N 62a_100011215382_100000211941 [0,2,0,0,0,0|1,0,1]=4 2476 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,2,0,0,0,0|0,0,0]=2 2477 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,2,0,0,0,0|0,0,0]=2 2478 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [0,2,0,0,0,0|1,0,1]=4 2479 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [0,2,0,0,0,0|1,0,1]=4 2480 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,2,0,0,0,0|0,0,2]=4 2481 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,2,0,0,0,0|0,0,2]=4 2482 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,2,0,0,0,0|1,0,1]=4 2483 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [0,2,0,0,0,0|1,0,1]=4 2484 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [0,2,0,0,0,0|1,0,1]=4 2485 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [0,2,0,0,0,0|1,0,1]=4 2486 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|0,1,1]=4 2487 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|0,1,1]=4 2488 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [0,2,0,0,0,0|1,0,1]=4 2489 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [0,2,0,0,0,0|1,0,1]=4 2490 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,2,0,0,0,0|2,0,0]=4 2491 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,2,0,0,0,0|1,0,1]=4 2492 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,2,0,0,0,0|1,0,1]=4 2493 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,2,0,0,0,0|1,0,1]=4 2494 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,2,0,0,0,0|1,0,1]=4 2495 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,2,0,0,0,0|1,0,1]=4 2496 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,2,0,0,0,0|1,0,1]=4 2497 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,2,0,0,0,0|1,0,1]=4 2498 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,2,0,0,0,0|1,0,1]=4 2499 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [0,2,0,0,0,0|1,0,1]=4 2500 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,2,0,0,0,0|1,0,1]=4 2501 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,2,0,0,0,0|1,0,1]=4 2502 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,2,0,0,0,0|1,0,1]=4 2503 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,2,0,0,0,0|1,0,1]=4 2504 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,2,0,0,0,0|1,0,1]=4 2505 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,2,0,0,0,0|1,0,1]=4 2506 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,2,0,0,0,0|1,0,1]=4 2507 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [0,2,0,0,0,0|1,0,1]=4 2508 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [0,2,0,0,0,0|1,0,1]=4 2509 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,2,0,0,0,0|1,0,1]=4 2510 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,2,0,0,0,0|1,0,1]=4 2511 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,2,0,0,0,0|1,0,1]=4 2512 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,2,0,0,0,0|1,0,1]=4 2513 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,2,0,0,0,0|1,0,1]=4 2514 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,2,0,0,0,0|1,0,1]=4 2515 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,2,0,0,0,0|1,0,1]=4 2516 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,2,0,0,0,0|1,0,1]=4 2517 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,2,0,0,0,0|1,0,1]=4 2518 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,2,0,0,0,0|1,0,1]=4 2519 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,2,0,0,0,0|0,0,2]=4 2520 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,2,0,0,0,0|0,0,2]=4 2521 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|0,0,2]=4 2522 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,2,0,0,0,0|2,0,0]=4 2523 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,2,0,0,0,0|2,0,0]=4 2524 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,2,0,0,0,0|2,0,0]=4 2525 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,2,0,0,0,0|0,1,1]=4 2526 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,2,0,0,0,0|0,1,1]=4 2527 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|0,1,1]=4 2528 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|0,1,1]=4 2529 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [0,2,0,0,0,0|2,0,0]=4 2530 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,2,0,0,0,0|2,0,0]=4 2531 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,2,0,0,0,0|2,0,0]=4 2532 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,2,0,0,0,0|2,0,0]=4 2533 B7R0.8 O=CCSC(F)(F)F 62a_200000243211_200015260668 [0,2,0,0,0,0|2,0,0]=4 2534 B7R0.8 O=CCSC(F)(F)F 62a_200015260668_200103152311 [0,2,0,0,0,0|2,0,0]=4 2535 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,1]=4 2536 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,1]=4 2537 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 2538 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 2539 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 2540 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 2541 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 2542 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 2543 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,1,0,1,0,0|2,0,0]=4 2544 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|1,0,0]=3 2545 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,1,0,0|1,0,1]=4 2546 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,1,0,0|1,0,1]=4 2547 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,1,0,0|1,0,1]=4 2548 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,1,0,0|1,0,1]=4 2549 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,1,0,0|1,0,1]=4 2550 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,1,0,0|1,0,1]=4 2551 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|0,0,2]=4 2552 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|0,0,2]=4 2553 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|0,0,2]=4 2554 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|0,0,2]=4 2555 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|0,1,1]=4 2556 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|0,0,2]=4 2557 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|0,0,2]=4 2558 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|0,0,2]=4 2559 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2560 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|1,0,1]=4 2561 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2562 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|0,0,2]=4 2563 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|0,1,1]=4 2564 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|0,0,2]=4 2565 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|1,0,1]=4 2566 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|1,0,1]=4 2567 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|0,0,2]=4 2568 B7R1.1 FCN1CC=CC1 269982a_100015195280_100015361967 [0,1,0,1,0,0|2,0,0]=4 2569 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|1,0,0]=3 2570 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,1,0,0|1,0,1]=4 2571 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,1,0,0|1,0,1]=4 2572 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|0,0,2]=4 2573 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|0,0,2]=4 2574 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|0,0,2]=4 2575 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2576 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2577 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|0,1,1]=4 2578 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|0,0,2]=4 2579 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|1,0,1]=4 2580 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|1,0,1]=4 2581 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|0,0,2]=4 2582 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|1,0,0]=3 2583 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,1,0,0|1,0,1]=4 2584 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,1,0,0|1,0,1]=4 2585 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,1,0,0|1,0,1]=4 2586 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,1,0,0|1,0,1]=4 2587 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,1,0,0|1,0,1]=4 2588 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,1,0,0|1,0,1]=4 2589 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|1,0,0]=3 2590 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2591 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2592 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2593 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2594 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2595 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2596 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|1,0,1]=4 2597 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|1,0,1]=4 2598 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|1,0,1]=4 2599 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|1,0,1]=4 2600 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|1,0,1]=4 2601 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|1,0,1]=4 2602 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|1,0,1]=4 2603 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|1,0,1]=4 2604 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|1,0,1]=4 2605 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|1,0,1]=4 2606 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 2607 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 2608 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 2609 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 2610 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,1,0,0|2,0,0]=4 2611 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 2612 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 2613 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,1,0,0|2,0,0]=4 2614 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 2615 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,1,0,0|2,0,0]=4 2616 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 2617 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|2,0,0]=4 2618 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|2,0,0]=4 2619 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|2,0,0]=4 2620 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,1,0,0|2,0,0]=4 2621 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,1,0,0|2,0,0]=4 2622 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,1,0,0|2,0,0]=4 2623 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,1,0,0|2,0,0]=4 2624 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,1,0,0|2,0,0]=4 2625 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|2,0,0]=4 2626 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|2,0,0]=4 2627 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|2,0,0]=4 2628 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|2,0,0]=4 2629 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|2,0,0]=4 2630 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|2,0,0]=4 2631 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 2632 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,1,0,0|2,0,0]=4 2633 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,1,0,0|2,0,0]=4 2634 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|2,0,0]=4 2635 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|2,0,0]=4 2636 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|2,0,0]=4 2637 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|2,0,0]=4 2638 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,1,0,0|2,0,0]=4 2639 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,1,0,0|2,0,0]=4 2640 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,1,0,0|1,0,0]=3 2641 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 2642 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 2643 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,1,0,0|2,0,0]=4 2644 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,1,0,0|2,0,0]=4 2645 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|2,0,0]=4 2646 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|2,0,0]=4 2647 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|2,0,0]=4 2648 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|2,0,0]=4 2649 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 2650 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,1,0,0|2,0,0]=4 2651 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|2,0,0]=4 2652 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|2,0,0]=4 2653 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|2,0,0]=4 2654 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|2,0,0]=4 2655 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,1,0,0|2,0,0]=4 2656 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,1,0,0|2,0,0]=4 2657 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|1,0,0]=3 2658 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|1,0,0]=3 2659 B7R1.10 CC1CN(C1)CF 269982a_100000702820_100015361967 [0,1,0,1,0,0|1,0,1]=4 2660 B7R1.10 CC1CN(C1)CF 34a_100000702820_100015361967 [0,1,0,1,0,0|1,0,1]=4 2661 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 2662 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 2663 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 2664 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 2665 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,1,0,1,0,0|1,0,1]=4 2666 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,1,0,1,0,0|1,0,1]=4 2667 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,1,0,1,0,0|1,0,1]=4 2668 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [0,1,0,1,0,0|2,0,0]=4 2669 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [0,1,0,1,0,0|2,0,0]=4 2670 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 2671 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 2672 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,1,0,1,0,0|1,0,1]=4 2673 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|0,0,2]=4 2674 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,1,0,1,0,0|2,0,0]=4 2675 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,1,0,1,0,0|2,0,0]=4 2676 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|0,0,0]=2 2677 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,1,0,1,0,0|2,0,0]=4 2678 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,1,0,1,0,0|2,0,0]=4 2679 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [0,1,0,1,0,0|2,0,0]=4 2680 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [0,1,0,1,0,0|2,0,0]=4 2681 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 2682 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 2683 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,1,0,1,0,0|1,0,1]=4 2684 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|0,0,2]=4 2685 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|0,0,0]=2 2686 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,1,0,1,0,0|2,0,0]=4 2687 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|2,0,0]=4 2688 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|2,0,0]=4 2689 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|2,0,0]=4 2690 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,1,0,1,0,0|2,0,0]=4 2691 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|2,0,0]=4 2692 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|2,0,0]=4 2693 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|2,0,0]=4 2694 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 2695 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 2696 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|2,0,0]=4 2697 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|2,0,0]=4 2698 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|2,0,0]=4 2699 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|2,0,0]=4 2700 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 2701 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 2702 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|1,0,1]=4 2703 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|1,0,1]=4 2704 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|1,0,1]=4 2705 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|1,0,1]=4 2706 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|1,0,1]=4 2707 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|1,0,1]=4 2708 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|1,0,1]=4 2709 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|0,0,2]=4 2710 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|1,0,1]=4 2711 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|1,0,1]=4 2712 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,1,0,0|1,0,1]=4 2713 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,1,0,0|1,0,1]=4 2714 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|1,0,1]=4 2715 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|1,0,1]=4 2716 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,1,0,0|2,0,0]=4 2717 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,1,0,1,0,0|2,0,0]=4 2718 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,1,0,0|1,0,1]=4 2719 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,1,0,0|1,0,1]=4 2720 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,1,0,0|2,0,0]=4 2721 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|1,0,1]=4 2722 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|1,0,1]=4 2723 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,1,0,1,0,0|2,0,0]=4 2724 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|0,0,0]=2 2725 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2726 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|0,0,0]=2 2727 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2728 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,1,0,1,0,0|2,0,0]=4 2729 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,1,0,1,0,0|2,0,0]=4 2730 B7R1.16 CC1(CN(C1)[13CH3])F 2230a_100000696199_200025704644 [0,1,0,1,0,0|2,0,0]=4 2731 B7R1.16 CC1(CN(C1)[13CH3])F 269982a_100000696199_200025704644 [0,1,0,1,0,0|2,0,0]=4 2732 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2733 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2734 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,1,0,1,0,0|2,0,0]=4 2735 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,1,0,1,0,0|2,0,0]=4 2736 B7R1.16 CN1CC(C1)(C)F 2230a_100000696199_200000210301 [0,1,0,1,0,0|2,0,0]=4 2737 B7R1.16 CN1CC(C1)(C)F 269982a_100000696199_200000210301 [0,1,0,1,0,0|2,0,0]=4 2738 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2739 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2740 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,1,0,1,0,0|0,0,0]=2 2741 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,1,0,1,0,0|0,0,0]=2 2742 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,0]=3 2743 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,1,0,1,0,0|1,0,0]=3 2744 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,0]=3 2745 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 2746 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,1,0,1,0,0|1,0,0]=3 2747 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,1,0,1,0,0|1,0,0]=3 2748 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,1,0,1,0,0|1,0,1]=4 2749 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,1,0,1,0,0|1,0,1]=4 2750 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,1,0,1,0,0|1,0,1]=4 2751 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,1,0,1,0,0|1,0,1]=4 2752 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,1,0,1,0,0|2,0,0]=4 2753 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,1,0,1,0,0|2,0,0]=4 2754 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,1,0,1,0,0|2,0,0]=4 2755 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,1,0,1,0,0|2,0,0]=4 2756 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,1,0,1,0,0|2,0,0]=4 2757 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,1,0,1,0,0|2,0,0]=4 2758 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,1,0,1,0,0|0,0,0]=2 2759 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,1,0,1,0,0|1,0,1]=4 2760 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,1,0,1,0,0|1,0,1]=4 2761 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,1,0,1,0,0|1,0,1]=4 2762 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,1,0,1,0,0|1,0,1]=4 2763 B7R1.7 C#CCOC1CC1 34a_100000210247_100000211595 [0,1,0,1,0,0|1,0,1]=4 2764 B7R1.7 C#CCSC1CC1 62a_100000038162_100000211595 [0,1,0,1,0,0|1,0,1]=4 2765 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,1,0,1,0,0|1,0,0]=3 2766 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,1,0,1,0,0|1,0,0]=3 2767 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [0,1,0,1,0,0|1,0,0]=3 2768 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,1,0,1,0,0|2,0,0]=4 2769 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,1,0,1,0,0|1,0,1]=4 2770 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,1,0,1,0,0|1,0,1]=4 2771 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,1,0,1,0,0|1,0,1]=4 2772 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,1,0,1,0,0|1,0,1]=4 2773 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,1,0,1,0,0|1,0,1]=4 2774 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,1,0,1,0,0|1,0,1]=4 2775 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,1,0,1,0,0|1,0,1]=4 2776 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,1,0,1,0,0|1,0,1]=4 2777 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,1,0,1,0,0|1,0,1]=4 2778 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,1,0,1,0,0|1,0,1]=4 2779 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,1,0,1,0,0|1,0,1]=4 2780 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,1,0,1,0,0|1,0,1]=4 2781 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,1,0,1,0,0|1,0,1]=4 2782 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,1,0,1,0,0|1,0,1]=4 2783 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,1,0,1,0,0|1,0,1]=4 2784 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,1,0,1,0,0|0,0,2]=4 2785 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,1,0,1,0,0|0,0,2]=4 2786 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,1,0,1,0,0|0,0,2]=4 2787 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,1,0,1,0,0|2,0,0]=4 2788 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,1,0,1,0,0|0,1,1]=4 2789 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,1,0,1,0,0|0,1,1]=4 2790 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,1,0,1,0,0|2,0,0]=4 2791 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,1,0,1,0,0|2,0,0]=4 2792 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,1,0,1,0,0|1,0,1]=4 2793 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,1,0,1,0,0|1,0,1]=4 2794 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,1,0,1,0,0|1,0,1]=4 2795 B7R1.7 FCNCC1CC1 34a_100000735609_100015361967 [0,1,0,1,0,0|1,0,1]=4 2796 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,1,0,1,0,0|1,0,1]=4 2797 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,1,0,1,0,0|1,0,1]=4 2798 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,1,0,1,0,0|1,0,1]=4 2799 B7R1.7 N#CCSC1CC1 62a_100011215382_100000211595 [0,1,0,1,0,0|1,0,1]=4 2800 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,1,0,1,0,0|1,0,1]=4 2801 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,1,0,1,0,0|0,0,0]=2 2802 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,1,0,1,0,0|0,0,0]=2 2803 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,1,0,1,0,0|0,0,2]=4 2804 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,1,0,1,0,0|0,0,2]=4 2805 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,1,0,1,0,0|0,0,2]=4 2806 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,1,0,1,0,0|1,0,1]=4 2807 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,1,0,1,0,0|0,0,2]=4 2808 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,1,0,1,0,0|0,0,2]=4 2809 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,1,0,1,0,0|0,1,1]=4 2810 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,1,0,1,0,0|0,1,1]=4