0 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,0,0|1,0,0]=1 53 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,0,0|1,0,1]=2 55 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,0,0|1,0,0]=1 60 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 129 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 130 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|1,0,0]=2 150 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|1,0,1]=3 155 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,0]=2 165 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|2,0,0]=3 206 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 209 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 219 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 220 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,0]=3 223 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,1]=3 224 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,1]=3 225 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.2 C#CC(=O)CC(F)F 1458a_100000211873_100011934356 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.2 C=C(C#N)CN(C)C 2230a_100102631434_100000694840 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.2 C=C(C#N)CN(C)C 269982a_100102631434_100000694840 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|1,0,2]=4 237 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|0,0,2]=3 238 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,0|1,0,2]=4 251 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|1,0,0]=2 252 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|2,0,0]=3 255 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|1,0,1]=3 257 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|1,0,0]=2 262 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|2,0,0]=3 266 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|2,0,0]=3 270 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|2,0,0]=3 271 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|0,0,0]=1 275 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,0|1,0,1]=3 277 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,0|1,0,1]=3 278 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,0|1,1,1]=4 279 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,0|1,1,1]=4 280 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|1,0,0]=2 283 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,0|3,0,0]=4 291 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|1,0,0]=2 293 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|1,0,2]=4 296 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|1,0,0]=2 302 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|1,0,0]=2 303 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|2,0,0]=3 304 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|2,0,0]=3 307 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|2,0,0]=3 308 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|2,0,0]=3 309 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 310 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,0]=2 314 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,0]=2 315 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,0|3,0,0]=4 321 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 324 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|2,0,0]=3 326 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|2,0,0]=3 327 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|2,0,0]=3 333 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,0|1,0,0]=2 337 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,0|1,0,0]=2 338 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,0,0,0,0|3,0,0]=4 342 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,0,0,0,0|3,0,0]=4 343 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,0,0,0,0|3,0,0]=4 344 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,0,0,0,0|3,0,0]=4 346 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,0|1,0,0]=2 356 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,0]=2 361 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 362 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,1,0,0,0,0|1,0,2]=4 365 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,1,0,0,0,0|1,0,2]=4 369 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,0|1,0,0]=2 370 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,1,0,0,0,0|1,0,1]=3 371 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,1,0,0,0,0|1,0,2]=4 372 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,1,0,0,0,0|1,0,2]=4 373 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|1,0,2]=4 375 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|1,0,0]=2 380 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|1,0,0]=2 381 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|1,0,0]=2 382 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|1,0,0]=2 383 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|2,0,0]=3 384 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|2,0,0]=3 386 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|2,0,0]=3 387 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|2,0,0]=3 393 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|2,0,0]=3 394 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|2,0,0]=3 395 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|2,0,0]=3 398 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|2,0,0]=3 399 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|2,0,0]=3 400 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|1,0,1]=3 405 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|1,0,1]=3 406 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|1,0,1]=3 407 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|1,0,0]=2 408 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|1,0,0]=2 409 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|1,0,0]=2 410 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|1,0,0]=2 411 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,0|1,0,1]=3 413 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,0|1,0,1]=3 414 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,0|1,1,1]=4 418 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,0|1,1,1]=4 419 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,0|3,0,0]=4 421 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [0,1,0,0,0,0|3,0,0]=4 431 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|1,0,2]=4 432 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,1,0,0,0,0|1,0,1]=3 433 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,0,0|1,0,0]=2 434 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,0|1,0,0]=2 435 B7R0.9 CC(=O)CC(F)(F)F 1458a_100000245130_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,0,0|1,1,0]=3 439 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,0,0|1,1,0]=3 440 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,0|2,0,0]=3 441 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,0|2,0,0]=3 442 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,0|2,0,0]=3 443 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,0|2,0,0]=3 444 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,0,0|1,0,0]=2 445 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,0|1,0,0]=2 446 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,0,0|2,0,0]=3 457 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,0,0|1,1,0]=3 458 B7R0.9 [13CH3]C(=O)CC(F)(F)F 1458a_100000245130_200025704644 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,0]=2 464 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|2,0,0]=3 465 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|2,0,0]=3 466 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|1,0,2]=4 468 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 469 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 470 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 471 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|2,0,0]=3 473 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|1,0,0]=2 474 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,0|2,0,0]=3 475 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,0|2,0,0]=3 476 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|1,0,0]=2 477 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|1,0,0]=2 478 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,0,0|0,0,3]=4 479 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|1,0,2]=4 480 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|1,0,2]=4 481 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,0]=2 482 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,0|2,0,0]=3 490 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,1,0,0|2,0,1]=4 493 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,1,0,0|2,0,1]=4 494 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|2,0,0]=3 495 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 496 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 497 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 498 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 499 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 500 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 501 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,1,0,0|2,0,1]=4 502 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,1,0,0|2,0,1]=4 503 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|2,0,0]=3 504 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,0]=2 505 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,0]=3 506 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,0]=2 507 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,0]=3 508 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,0,0,1,0,0|3,0,0]=4 509 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,0,0,1,0,0|3,0,0]=4 510 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,0,0,1,0,0|2,0,1]=4 511 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,0,0,1,0,0|2,0,1]=4 512 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,0,0,1,0,0|3,0,0]=4 513 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,0,0,1,0,0|3,0,0]=4 514 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,0,0,1,0,0|2,0,1]=4 515 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,0,0,1,0,0|2,0,1]=4 516 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,0|1,0,0]=2 517 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,0|1,0,0]=2 518 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,0|2,0,0]=3 519 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,0|2,0,0]=3 520 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,0|2,0,0]=3 521 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,0|2,0,0]=3 522 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,0|2,0,0]=3 523 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,0|2,0,0]=3 524 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,0,0,1,0,0|3,0,0]=4 525 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,0,0,1,0,0|3,0,0]=4 526 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,0,0,1,0,0|3,0,0]=4 527 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,0,0,1,0,0|3,0,0]=4 528 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [0,0,0,1,0,0|2,0,1]=4 529 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [0,0,0,1,0,0|2,0,1]=4 530 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [0,0,0,1,0,0|2,0,1]=4 531 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,0,0,1,0,0|3,0,0]=4 532 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,0,0,1,0,0|3,0,0]=4 533 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,0|1,0,0]=2 534 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,1,0|1,0,2]=4 535 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,1,0|1,0,2]=4 536 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,1,0|1,0,0]=2 537 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,1,0|1,0,0]=2 538 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,1,0|2,0,0]=3 539 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,1,0|3,0,0]=4 540 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,1,0|2,0,0]=3 541 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,1,0|2,0,0]=3 542 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,1,0|2,0,0]=3 543 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,1,0|2,0,0]=3 544 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,1,0|2,0,0]=3 545 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,1,0|2,0,0]=3 546 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,1,0|1,0,0]=2 547 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,1,0|3,0,0]=4 548 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,1,0|3,0,0]=4 549 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,1,0|3,0,0]=4 550 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,1,0|3,0,0]=4 551 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,1,0|2,0,0]=3 552 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,1,0|2,0,0]=3 553 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,1,0|2,0,0]=3 554 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,1,0|3,0,0]=4 555 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,1|1,0,2]=4 556 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,1|1,0,2]=4 557 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,1|1,0,2]=4 558 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,1|3,0,0]=4 559 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,1|3,0,0]=4 560 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,1|1,0,2]=4 561 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,1|1,0,2]=4 562 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,1|1,0,2]=4 563 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,1|1,0,2]=4 564 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,1|2,0,0]=3 565 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,1|2,0,0]=3 566 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,1|2,0,0]=3 567 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,1|2,0,0]=3 568 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,1|2,0,0]=3 569 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,1|2,0,0]=3 570 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,0,1|2,0,0]=3 571 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,0,1|2,0,0]=3 572 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,1|2,0,0]=3 573 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,1|2,0,0]=3 574 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,1|2,0,0]=3 575 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,1|2,0,0]=3 576 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,1|1,0,1]=3 577 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,1|3,0,0]=4 578 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,1|3,0,0]=4 579 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,1|1,0,1]=3 580 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,1|1,0,1]=3 581 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,1|1,0,1]=3 582 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,1|2,0,1]=4 583 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,1|1,0,0]=2 584 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,1|1,0,0]=2 585 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,1|2,0,0]=3 586 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,1|2,0,0]=3 587 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,1|2,0,0]=3 588 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,1|2,0,1]=4 589 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,1|2,0,1]=4 590 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,1|2,0,1]=4 591 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,1|1,0,0]=2 592 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,1|1,0,0]=2 593 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,0,0,0,1|3,0,0]=4 594 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,1|2,0,1]=4 595 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,1|1,0,0]=2 596 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,0,0,0,0,1|3,0,0]=4 597 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,1|2,0,1]=4 598 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,1|2,0,1]=4 599 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,1|2,0,1]=4 600 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,1|2,0,1]=4 601 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,1|1,0,0]=2 602 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,1|1,0,0]=2 603 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,1|1,0,0]=2 604 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,1|1,0,0]=2 605 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,1|2,0,0]=3 606 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,1|2,0,0]=3 607 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,1|2,0,0]=3 608 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,0,0,0,1|3,0,0]=4 609 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,0,0,0,1|3,0,0]=4 610 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,0,0,0,1|3,0,0]=4 611 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,0,0,0,1|3,0,0]=4 612 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,1|2,0,0]=3 613 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,1|2,0,1]=4 614 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,1|2,0,0]=3 615 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,1|2,0,1]=4 616 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,0,1|2,0,1]=4 617 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,1|1,0,1]=3 618 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,1|1,0,0]=2 619 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,0,1|3,0,0]=4 620 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,0,1|3,0,0]=4 621 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,0,1|3,0,0]=4 622 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,0,1|3,0,0]=4 623 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,0,1|3,0,0]=4 624 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,0,1|3,0,0]=4 625 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,0,1|2,0,1]=4 626 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,0,1|2,0,1]=4 627 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,0,1|2,0,1]=4 628 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,0,1|2,0,1]=4 629 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,0,1|2,0,1]=4 630 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,0,1|2,0,1]=4 631 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,0,1|2,0,1]=4 632 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,0,1|2,0,1]=4 633 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,1|1,0,0]=2 634 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,1|1,0,0]=2 635 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,1|1,0,0]=2 636 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,1|0,0,0]=1 637 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,1|0,0,1]=2 638 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,0,0,0,0,1|2,0,1]=4 639 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,0,0,0,0,1|2,0,1]=4 640 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,0,0,0,0,1|2,0,1]=4 641 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,1|1,0,1]=3 642 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,1|1,0,1]=3 643 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,0,1|1,0,1]=3 644 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,1|1,0,0]=2 645 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,1|1,0,0]=2 646 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,1|0,0,1]=2 647 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,0,0,0,0,1|2,0,1]=4 648 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,0,0,0,0,1|2,0,1]=4 649 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,0,1|3,0,0]=4 650 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,0,1|3,0,0]=4 651 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,0,1|2,0,1]=4 652 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,0,1|2,0,1]=4 653 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,1|1,0,1]=3 654 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,0,1|1,0,1]=3 655 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,1|1,0,0]=2 656 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,1|1,0,0]=2 657 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,1|1,0,0]=2 658 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,1|0,0,1]=2 659 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,1|0,0,1]=2 660 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,0,0,0,0,1|2,0,1]=4 661 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,0,0,0,0,1|2,0,1]=4 662 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,1|1,0,1]=3 663 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,1|1,0,1]=3 664 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,1|1,0,1]=3 665 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,0,1|2,0,1]=4 666 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,1|2,0,1]=4 667 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,1|2,0,1]=4 668 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,1|1,0,1]=3 669 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,1|1,0,1]=3 670 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,1|1,0,1]=3 671 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,1|1,0,1]=3 672 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,1|1,0,1]=3 673 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,1|1,0,1]=3 674 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,1|1,0,1]=3 675 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,1|2,0,0]=3 676 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,1|2,0,0]=3 677 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,1|2,0,0]=3 678 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,1|2,0,0]=3 679 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,1|2,0,0]=3 680 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,1|2,0,1]=4 681 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,1|2,0,1]=4 682 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,0,0,0,1|3,0,0]=4 683 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,0,0,0,0,1|3,0,0]=4 684 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|2,0,0]=4 685 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 686 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 687 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 688 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 689 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 690 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 691 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,0]=3 692 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,0]=3 693 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,0]=3 694 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 695 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 696 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 697 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 698 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 699 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 700 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [2,0,0,0,0,0|2,0,0]=4 701 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|2,0,0]=4 702 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 703 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 704 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|2,0,0]=4 705 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 706 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 707 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 708 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 709 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 710 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 711 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 712 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 713 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 714 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 715 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|2,0,0]=4 716 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|2,0,0]=4 717 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|2,0,0]=4 718 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|2,0,0]=4 719 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|2,0,0]=4 720 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 721 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 722 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 723 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 724 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 725 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 726 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 727 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 728 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|2,0,0]=4 729 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 730 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 731 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 732 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 733 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 734 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 735 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 736 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 737 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 738 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 739 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 740 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,1]=4 741 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 742 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,1]=4 743 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,1]=4 744 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 745 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 746 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 747 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 748 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 749 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 750 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,1]=4 751 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,1]=4 752 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,1]=4 753 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 754 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 755 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 756 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,1]=4 757 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,0]=3 758 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|2,0,0]=4 759 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|2,0,0]=4 760 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|0,0,2]=4 761 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [1,1,0,0,0,0|1,0,1]=4 763 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [1,1,0,0,0,0|1,0,1]=4 764 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [1,1,0,0,0,0|1,0,1]=4 765 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|1,0,1]=4 766 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|1,0,1]=4 767 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,0]=3 768 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,1,0,0,0,0|2,0,0]=4 769 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,1,0,0,0,0|2,0,0]=4 770 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|2,0,0]=4 771 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 772 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|2,0,0]=4 773 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 774 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|2,0,0]=4 775 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,1,0,0,0,0|2,0,0]=4 777 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|1,0,0]=3 778 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|1,0,0]=3 779 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|1,0,0]=3 780 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|1,0,0]=3 781 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [1,1,0,0,0,0|1,0,1]=4 782 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [1,1,0,0,0,0|1,0,1]=4 783 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|1,0,1]=4 784 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|0,0,1]=3 785 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|0,0,1]=3 786 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|2,0,0]=4 788 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 789 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|2,0,0]=4 790 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 791 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 792 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|2,0,0]=4 793 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|2,0,0]=4 794 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|2,0,0]=4 795 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|2,0,0]=4 796 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|2,0,0]=4 797 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|2,0,0]=4 798 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|2,0,0]=4 799 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|2,0,0]=4 800 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|2,0,0]=4 801 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|2,0,0]=4 802 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|2,0,0]=4 803 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|2,0,0]=4 804 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|2,0,0]=4 805 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|2,0,0]=4 806 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|2,0,0]=4 807 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|2,0,0]=4 808 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|2,0,0]=4 810 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,0]=3 812 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,0]=3 813 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,0]=3 814 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,0]=2 815 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,0]=3 816 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 817 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 818 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 819 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,1]=4 820 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 821 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,1]=4 822 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 824 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,1]=4 825 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 826 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 830 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,1]=4 831 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 835 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 836 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|1,0,1]=4 837 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|1,0,1]=4 838 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|1,0,1]=4 839 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|1,0,1]=4 840 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|1,0,1]=4 841 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|1,0,1]=4 842 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|1,0,1]=4 843 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|1,0,1]=4 844 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 846 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 847 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 848 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 849 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 850 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 851 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 852 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 853 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 854 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 855 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|2,0,0]=4 856 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|2,0,0]=4 857 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|2,0,0]=4 858 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|2,0,0]=4 859 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|2,0,0]=4 860 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|2,0,0]=4 862 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|2,0,0]=4 863 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|2,0,0]=4 865 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|2,0,0]=4 867 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|2,0,0]=4 869 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 870 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 871 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|2,0,0]=4 872 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|2,0,0]=4 873 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 874 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|2,0,0]=4 875 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|2,0,0]=4 876 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 877 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 878 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 879 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|2,0,0]=4 881 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|2,0,0]=4 882 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|2,0,0]=4 883 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [1,1,0,0,0,0|1,0,1]=4 884 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [1,1,0,0,0,0|1,0,1]=4 885 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|0,0,1]=3 886 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|0,0,1]=3 887 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|0,0,1]=3 888 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|2,0,0]=4 889 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|2,0,0]=4 890 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|2,0,0]=4 891 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|2,0,0]=4 892 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|2,0,0]=4 893 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|2,0,0]=4 894 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 895 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|2,0,0]=4 896 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 897 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 898 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,0]=3 899 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 900 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 901 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 902 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|2,0,0]=4 903 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|2,0,0]=4 904 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|2,0,0]=4 905 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 906 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [1,1,0,0,0,0|1,0,1]=4 907 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|0,0,1]=3 908 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|0,0,1]=3 909 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|2,0,0]=4 910 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,0]=3 911 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,0]=3 912 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,0]=3 913 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,0]=3 914 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|1,0,1]=4 915 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|0,0,1]=3 916 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|2,0,0]=4 917 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|2,0,0]=4 918 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,0]=3 919 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|2,0,0]=4 921 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|2,0,0]=4 922 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|2,0,0]=4 923 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|2,0,0]=4 924 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|2,0,0]=4 925 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|2,0,0]=4 926 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|2,0,0]=4 927 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|2,0,0]=4 928 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|2,0,0]=4 929 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|2,0,0]=4 930 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|2,0,0]=4 931 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [1,1,0,0,0,0|1,0,1]=4 932 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [1,1,0,0,0,0|1,0,1]=4 933 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|0,0,1]=3 934 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|0,0,1]=3 935 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|2,0,0]=4 936 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|2,0,0]=4 937 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|2,0,0]=4 938 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [1,1,0,0,0,0|1,0,1]=4 939 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|2,0,0]=4 941 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|0,0,1]=3 942 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|0,0,1]=3 943 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|1,0,1]=4 944 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|2,0,0]=4 945 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,0]=3 946 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,0]=3 947 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,1,0,0,0,0|1,0,1]=4 948 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,1,0,0,0,0|2,0,0]=4 949 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|2,0,0]=4 951 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|2,0,0]=4 952 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|2,0,0]=4 953 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,1,0,0,0,0|0,0,2]=4 954 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,1,0,0,0,0|2,0,0]=4 956 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [1,1,0,0,0,0|1,0,1]=4 957 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [1,1,0,0,0,0|1,0,1]=4 959 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [1,1,0,0,0,0|1,0,1]=4 960 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [1,1,0,0,0,0|1,0,1]=4 961 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,1,0,0,0,0|2,0,0]=4 962 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,1,0,0,0,0|2,0,0]=4 963 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,0]=3 964 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,0]=3 965 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,0]=3 966 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,0]=3 967 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,0]=3 968 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 969 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 970 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 971 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|2,0,0]=4 972 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|2,0,0]=4 973 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|2,0,0]=4 974 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 975 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,1,0,0,0,0|2,0,0]=4 976 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 977 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,1,0,0,0,0|2,0,0]=4 978 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 979 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,1,0,0,0,0|2,0,0]=4 980 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 981 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,1,0,0,0,0|1,0,1]=4 982 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|1,0,0]=3 983 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 984 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 985 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|2,0,0]=4 986 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|2,0,0]=4 987 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,1,0,0,0,0|2,0,0]=4 988 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|2,0,0]=4 989 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,1,0,0,0,0|2,0,0]=4 990 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,1,0,0,0,0|2,0,0]=4 991 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,1,0,0,0,0|1,0,1]=4 992 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 994 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 995 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|2,0,0]=4 996 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|2,0,0]=4 997 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|2,0,0]=4 998 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,1,0,0,0,0|2,0,0]=4 999 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,1,0,0,0,0|2,0,0]=4 1000 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1001 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1002 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,1,0,0,0,0|2,0,0]=4 1003 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,1,0,0,0,0|1,0,1]=4 1005 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1006 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1007 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1008 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1009 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [1,1,0,0,0,0|1,0,1]=4 1010 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|1,0,0]=3 1011 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 1012 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,1,0,0,0,0|2,0,0]=4 1015 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,1,0,0,0,0|1,0,1]=4 1016 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,1,0,0,0,0|1,0,1]=4 1017 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|1,0,1]=4 1018 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1019 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1020 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,1,0,0,0,0|1,0,1]=4 1021 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,1,0,0,0,0|1,0,1]=4 1022 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,1,0,0,0,0|1,0,1]=4 1023 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,1,0,0,0,0|1,0,1]=4 1024 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,1,0,0,0,0|1,0,1]=4 1025 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,1,0,0,0,0|1,0,1]=4 1026 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 1027 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|2,0,0]=4 1028 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|2,0,0]=4 1029 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|2,0,0]=4 1030 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1031 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 1032 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1033 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|2,0,0]=4 1034 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|2,0,0]=4 1035 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|2,0,0]=4 1038 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 1041 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|2,0,0]=4 1042 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|2,0,0]=4 1044 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|2,0,0]=4 1045 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|2,0,0]=4 1046 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|2,0,0]=4 1047 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|2,0,0]=4 1048 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|2,0,0]=4 1049 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|2,0,0]=4 1050 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|1,0,1]=4 1051 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|1,0,1]=4 1052 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|1,0,1]=4 1053 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,1,0,0,0,0|2,0,0]=4 1055 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,1,0,0,0,0|2,0,0]=4 1056 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,1,0,0,0,0|2,0,0]=4 1057 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1058 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,1,0,0,0,0|2,0,0]=4 1059 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|1,0,0]=3 1060 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|1,0,0]=3 1061 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|1,0,0]=3 1062 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|1,0,0]=3 1063 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|1,0,0]=3 1064 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|1,0,0]=3 1065 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|1,0,0]=3 1066 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|1,0,1]=4 1067 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 1068 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1069 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 1070 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,0]=3 1071 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1072 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1073 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,0]=3 1074 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,0]=3 1075 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1076 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1077 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1078 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1079 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 1080 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|2,0,0]=4 1081 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|2,0,0]=4 1082 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|2,0,0]=4 1084 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 1085 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|0,0,1]=3 1086 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|0,0,1]=3 1087 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|0,1,1]=4 1088 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|0,1,1]=4 1089 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|1,0,1]=4 1090 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|1,0,1]=4 1091 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|1,0,1]=4 1092 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|1,0,1]=4 1093 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,1,0,0,0,0|1,0,1]=4 1094 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|0,0,0]=2 1095 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|0,0,0]=2 1096 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1097 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|1,0,1]=4 1098 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|1,0,1]=4 1099 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|0,0,1]=3 1100 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|0,0,1]=3 1101 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|0,0,1]=3 1102 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|0,0,1]=3 1103 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|0,0,0]=2 1104 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|1,0,1]=4 1105 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|1,0,1]=4 1106 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|1,0,1]=4 1107 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|0,0,1]=3 1108 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|2,0,0]=4 1110 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,1,0,0,0,0|1,0,1]=4 1111 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,1,0,0,0,0|1,0,1]=4 1112 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|0,0,0]=2 1113 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|0,0,0]=2 1114 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1115 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|1,0,1]=4 1116 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|0,0,1]=3 1117 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|0,0,1]=3 1118 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|1,0,1]=4 1119 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|1,0,1]=4 1120 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|1,0,1]=4 1121 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 1122 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 1123 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 1124 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|2,0,0]=4 1125 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,1,0,0,0,0|2,0,0]=4 1126 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 1128 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,1]=4 1129 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,1]=4 1130 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,0]=3 1131 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1132 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1133 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1134 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1135 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1136 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,0]=3 1137 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1138 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,1]=4 1139 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,1]=4 1140 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,1]=4 1141 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1142 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,1]=4 1143 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1144 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 1145 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,0]=2 1146 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1147 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,1]=4 1148 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,1]=4 1149 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,1]=4 1150 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 1155 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,0]=3 1156 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1157 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 1158 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,0]=3 1159 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|0,0,1]=3 1160 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,0]=3 1166 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 1167 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1168 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,0]=3 1169 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|0,0,1]=3 1170 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|0,0,1]=3 1171 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,1]=4 1173 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|1,0,1]=4 1174 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|1,0,1]=4 1175 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|1,0,1]=4 1176 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|1,0,1]=4 1177 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|1,0,1]=4 1178 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 1179 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|1,0,1]=4 1184 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,0]=3 1185 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1186 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,0]=3 1187 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1188 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,1]=4 1192 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|1,0,1]=4 1193 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|1,0,1]=4 1194 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|1,0,1]=4 1195 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|1,0,1]=4 1196 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|2,0,0]=4 1197 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|2,0,0]=4 1198 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|2,0,0]=4 1199 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,0,0]=3 1200 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,0]=3 1201 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,0]=3 1202 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1203 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1204 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1205 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,0]=3 1206 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1207 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,0]=3 1208 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1209 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|0,0,1]=3 1210 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|0,0,1]=3 1211 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|0,0,1]=3 1212 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,0,1]=4 1213 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1214 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|1,0,1]=4 1215 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|1,0,1]=4 1216 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1218 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|1,0,1]=4 1219 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1220 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|2,0,0]=4 1222 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|1,0,1]=4 1223 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|1,0,1]=4 1224 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|1,0,1]=4 1225 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,0]=3 1226 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,0]=3 1227 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,0]=3 1228 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,0]=3 1229 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,0]=3 1230 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,0]=3 1231 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,0]=3 1232 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|0,1,1]=4 1233 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|0,1,1]=4 1234 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|1,0,1]=4 1235 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|1,0,1]=4 1236 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1237 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1238 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|2,0,0]=4 1239 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|2,0,0]=4 1240 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|2,0,0]=4 1241 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|2,0,0]=4 1243 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|2,0,0]=4 1244 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|2,0,0]=4 1245 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1246 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 1247 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 1248 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,0]=3 1249 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|1,0,1]=4 1250 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|1,0,1]=4 1251 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1252 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,0,0]=3 1253 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1254 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1255 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,0]=3 1256 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,0]=3 1257 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|2,0,0]=4 1258 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1259 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|2,0,0]=4 1260 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1261 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|2,0,0]=4 1262 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|2,0,0]=4 1263 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|2,0,0]=4 1265 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|2,0,0]=4 1267 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|2,0,0]=4 1268 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|2,0,0]=4 1269 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|2,0,0]=4 1270 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1271 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|2,0,0]=4 1272 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|2,0,0]=4 1273 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|2,0,0]=4 1274 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|2,0,0]=4 1275 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|2,0,0]=4 1277 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|2,0,0]=4 1278 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|2,0,0]=4 1279 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1280 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|2,0,0]=4 1281 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|2,0,0]=4 1283 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1284 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|2,0,0]=4 1285 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,1,0|1,0,0]=3 1286 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,1,0|1,0,0]=3 1287 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,1,0|1,0,0]=3 1288 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,1,0|1,0,0]=3 1289 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,1,0|1,0,0]=3 1290 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,1,0|1,0,0]=3 1291 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,1|1,0,1]=4 1292 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,1|1,0,0]=3 1293 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,1|2,0,0]=4 1294 B8R0.9 C#CC(C)NCC(=O)N 2230a_100000707721_100000747473 [0,1,0,0,0,1|1,0,1]=4 1295 B8R0.9 C#CC(C)NCC(=O)N 34a_100000707721_100000187820 [0,1,0,0,0,1|1,0,1]=4 1296 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,0,0,0,1|0,0,1]=3 1297 B8R0.9 C#CC(C)NCC(=O)[O-] 34a_100000707721_100020667443 [0,1,0,0,0,1|0,0,2]=4 1298 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,1,0,0,0,1|1,0,1]=4 1299 B8R0.9 C#CC(C)SCC(=O)N 62a_200000035995_100000747473 [0,1,0,0,0,1|1,0,1]=4 1300 B8R0.9 C#CC(C)SCC(=O)[O-] 62a_200000035995_100020667443 [0,1,0,0,0,1|0,0,2]=4 1301 B8R0.9 C#C[C@@H](C)OCC(=O)N 34a_100009815206_100000187820 [0,1,0,0,0,1|1,0,1]=4 1302 B8R0.9 C#C[C@@H](C)OCC(=O)N 7a_100009815206_100000187820 [0,1,0,0,0,1|1,0,1]=4 1303 B8R0.9 C#C[C@@H](C)OCC(=O)[O-] 34a_100009815206_100020667443 [0,1,0,0,0,1|0,0,2]=4 1304 B8R0.9 C=C(C#N)CNC(C)C 2230a_100138425928_100000694840 [0,1,0,0,0,1|2,0,0]=4 1305 B8R0.9 C=C(C#N)CNC(C)C 34a_100138425928_100000694840 [0,1,0,0,0,1|2,0,0]=4 1306 B8R0.9 C=C(C#N)COC(C)C 34a_100000212225_100000694840 [0,1,0,0,0,1|2,0,0]=4 1307 B8R0.9 C=C(C#N)CSC(C)C 62a_100000210206_100000694840 [0,1,0,0,0,1|2,0,0]=4 1308 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,1|0,0,2]=4 1309 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,1,0,0,0,1|2,0,0]=4 1310 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,1|0,0,2]=4 1311 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,1|0,0,2]=4 1312 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,0,0,0,1|2,0,0]=4 1313 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,1,0,0,0,1|2,0,0]=4 1314 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,0,0,0,1|2,0,0]=4 1315 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,0,0,0,1|2,0,0]=4 1316 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,1,0,0,0,1|2,0,0]=4 1317 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,1,0,0,0,1|2,0,0]=4 1318 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,1,0,0,0,1|2,0,0]=4 1319 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,1|2,0,0]=4 1320 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,0,0,0,1|2,0,0]=4 1321 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,0,0,0,1|2,0,0]=4 1322 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,1|2,0,0]=4 1323 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,1,0,0,0,1|2,0,0]=4 1324 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,1,0,0,0,1|2,0,0]=4 1325 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,1|2,0,0]=4 1326 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,1|2,0,0]=4 1327 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,1,0,0,0,1|2,0,0]=4 1328 B8R0.9 C=C(F)CN[C@H](C)CO 2230a_100000737577_100009893438 [0,1,0,0,0,1|2,0,0]=4 1329 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,1,0,0,0,1|2,0,0]=4 1330 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,1,0,0,0,1|2,0,0]=4 1331 B8R0.9 C=C(F)COC(C)CF 34a_100016041109_100009893438 [0,1,0,0,0,1|2,0,0]=4 1332 B8R0.9 C=C(F)COC(C)CF 7a_100016041109_100000042424 [0,1,0,0,0,1|2,0,0]=4 1333 B8R0.9 C=C(F)COC(C)CN 34a_100000210904_100009893438 [0,1,0,0,0,1|2,0,0]=4 1334 B8R0.9 C=C(F)COC(C)CO 34a_200010262243_100012180447 [0,1,0,0,0,1|2,0,0]=4 1335 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,1,0,0,0,1|2,0,0]=4 1336 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,1,0,0,0,1|2,0,0]=4 1337 B8R0.9 C=C(F)CSC(C)CO 62a_100012180447_100000042424 [0,1,0,0,0,1|2,0,0]=4 1338 B8R0.9 C=C(F)CSC(C)OC 62a_100000042424_100009879195 [0,1,0,0,0,1|2,0,0]=4 1339 B8R0.9 C=C(F)CSC(C)OC 62a_100009879195_100000042424 [0,1,0,0,0,1|2,0,0]=4 1340 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100000042424_100016084084 [0,1,0,0,0,1|2,0,0]=4 1341 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100016084084_100000042424 [0,1,0,0,0,1|2,0,0]=4 1342 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,1|1,0,1]=4 1343 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,1|1,0,0]=3 1344 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,1|2,0,0]=4 1345 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,1|1,0,0]=3 1346 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,1|1,0,0]=3 1347 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,0,0,0,1|2,0,0]=4 1348 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,1,0,0,0,1|2,0,0]=4 1349 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,0,0,0,1|0,0,1]=3 1350 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,1,0,0,0,1|1,0,1]=4 1351 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,1,0,0,0,1|0,0,2]=4 1352 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,1,0,0,0,1|1,0,1]=4 1353 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,1,0,0,0,1|0,0,2]=4 1354 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,1,0,0,0,1|1,0,1]=4 1355 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,1,0,0,0,1|1,0,1]=4 1356 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,1,0,0,0,1|1,0,1]=4 1357 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,0,0,0,1|1,0,1]=4 1358 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,0,0,0,1|1,0,1]=4 1359 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,1|1,0,1]=4 1360 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,1|0,0,1]=3 1361 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,1,0,0,0,1|2,0,0]=4 1362 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,1|1,0,0]=3 1363 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,1|1,0,0]=3 1364 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,1|1,0,0]=3 1365 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,1|2,0,0]=4 1366 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,1|2,0,0]=4 1367 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,1|2,0,0]=4 1368 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,1|2,0,0]=4 1369 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000711301_100000184139 [0,1,0,0,0,1|1,0,1]=4 1370 B8R0.9 CC(C#N)NCC(=O)N 2230a_100000737613_100000747473 [0,1,0,0,0,1|1,0,1]=4 1371 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,0,0,0,1|0,0,1]=3 1372 B8R0.9 CC(C#N)OCC(=O)N 34a_100011218135_100000187820 [0,1,0,0,0,1|1,0,1]=4 1373 B8R0.9 CC(C#N)OCC(=O)[O-] 34a_100011218135_100020667443 [0,1,0,0,0,1|0,0,2]=4 1374 B8R0.9 CC(C#N)SCC(=O)N 62a_100000703298_100000747473 [0,1,0,0,0,1|1,0,1]=4 1375 B8R0.9 CC(C#N)SCC(=O)N 62a_100000747473_100000703298 [0,1,0,0,0,1|1,0,1]=4 1376 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100000703298_100020667443 [0,1,0,0,0,1|0,0,2]=4 1377 B8R0.9 CC(C#N)SCC(=O)[O-] 62a_100020667443_100000703298 [0,1,0,0,0,1|0,0,2]=4 1378 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,1|1,0,1]=4 1379 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,1|1,0,0]=3 1380 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,1|0,0,0]=2 1381 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,1|1,0,1]=4 1382 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,1|1,0,1]=4 1383 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,1|0,0,0]=2 1384 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,1|0,0,0]=2 1385 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,1,0,0,0,1|1,0,1]=4 1386 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,1,0,0,0,1|1,0,1]=4 1387 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,1,0,0,0,1|1,0,1]=4 1388 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,1,0,0,0,1|1,0,1]=4 1389 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,0,0,0,1|1,0,1]=4 1390 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,1,0,0,0,1|1,0,1]=4 1391 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,1,0,0,0,1|1,0,1]=4 1392 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,1,0,0,0,1|1,0,1]=4 1393 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,0,0,0,1|0,0,2]=4 1394 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,0,0,0,1|0,0,2]=4 1395 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,1,0,0,0,1|1,0,1]=4 1396 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,1,0,0,0,1|1,0,1]=4 1397 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,1,0,0,0,1|1,0,1]=4 1398 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,1,0,0,0,1|1,0,1]=4 1399 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,1,0,0,0,1|1,0,1]=4 1400 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,0,0,0,1|0,0,2]=4 1401 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,0,0,0,1|0,0,2]=4 1402 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,0,0,0,1|0,0,2]=4 1403 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,1|1,0,0]=3 1404 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,1|1,0,0]=3 1405 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,0,0,0,1|0,0,2]=4 1406 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,0,0,0,1|1,0,1]=4 1407 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,0,0,0,1|1,0,1]=4 1408 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,0,0,0,1|0,0,2]=4 1409 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,1|1,0,0]=3 1410 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,0,0,0,1|0,0,2]=4 1411 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,0,0,0,1|0,0,2]=4 1412 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,0,0,0,1|1,0,1]=4 1413 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,0,0,0,1|1,0,1]=4 1414 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,1,0,0,0,1|1,0,1]=4 1415 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,1,0,0,0,1|1,0,1]=4 1416 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,0,0,0,1|0,0,2]=4 1417 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,0,0,0,1|0,0,2]=4 1418 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,1|1,0,0]=3 1419 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,1|1,0,0]=3 1420 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,1|0,0,1]=3 1421 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,0,0,0,1|1,0,1]=4 1422 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,0,0,0,1|1,0,1]=4 1423 B8R0.9 CC(CF)OC[N+](=O)[O-] 34a_100016041109_100000761209 [0,1,0,0,0,1|1,0,1]=4 1424 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,1|1,0,0]=3 1425 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,1|0,0,1]=3 1426 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,1|1,0,1]=4 1427 B8R0.9 CC(CN)OC[N+](=O)[O-] 34a_100000210904_100000761209 [0,1,0,0,0,1|1,0,1]=4 1428 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,1|1,0,1]=4 1429 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,1|1,0,0]=3 1430 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,1|1,0,0]=3 1431 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,1|0,0,1]=3 1432 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,0,0,0,1|1,0,1]=4 1433 B8R0.9 CC(CO)SC[N+](=O)[O-] 62a_100012180447_100000761209 [0,1,0,0,0,1|1,0,1]=4 1434 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,1|1,0,0]=3 1435 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,1|1,0,0]=3 1436 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,1|1,0,0]=3 1437 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,0,0,0,1|1,0,1]=4 1438 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,1|1,0,1]=4 1439 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,0,0,0,1|1,0,1]=4 1440 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,0,0,0,1|1,0,1]=4 1441 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,0,0,0,1|1,0,1]=4 1442 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,0,0,0,1|1,0,1]=4 1443 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,0,0,0,1|1,0,1]=4 1444 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,0,0,0,1|1,0,1]=4 1445 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,0,0,0,1|1,0,1]=4 1446 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,1|1,0,1]=4 1447 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,1|1,0,1]=4 1448 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,1|1,0,1]=4 1449 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,1|1,0,0]=3 1450 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,1|1,0,0]=3 1451 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,1|2,0,0]=4 1452 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,1|2,0,0]=4 1453 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,1|1,0,0]=3 1454 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,1|1,0,0]=3 1455 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,1|1,0,0]=3 1456 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,1|1,0,0]=3 1457 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,1|1,0,0]=3 1458 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,1|1,0,0]=3 1459 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,1|1,0,0]=3 1460 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,1|1,0,0]=3 1461 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,1|1,0,0]=3 1462 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,1|2,0,0]=4 1463 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,1|2,0,0]=4 1464 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,1|2,0,0]=4 1465 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,1|2,0,0]=4 1466 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,1|1,0,0]=3 1467 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,1|1,0,0]=3 1468 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,1|1,0,0]=3 1469 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,1|1,0,0]=3 1470 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,1|1,0,0]=3 1471 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,1|1,0,0]=3 1472 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,1|1,0,0]=3 1473 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,1|1,0,0]=3 1474 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,1|0,0,0]=2 1475 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,0,0,0,1|1,0,1]=4 1476 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,0,0,0,1|1,0,1]=4 1477 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,0,0,0,1|1,0,1]=4 1478 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,0,0,0,1|1,0,1]=4 1479 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,1|2,0,0]=4 1480 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,1|1,0,0]=3 1481 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,1|1,0,0]=3 1482 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,1|1,0,1]=4 1483 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,1|1,0,1]=4 1484 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,1|1,0,0]=3 1485 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,1|1,0,0]=3 1486 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,1|0,0,1]=3 1487 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,1|0,0,1]=3 1488 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,0,0,0,1|1,0,1]=4 1489 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,0,0,0,1|1,0,1]=4 1490 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,0,0,0,1|1,0,1]=4 1491 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,0,0,0,1|1,0,1]=4 1492 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,1,0,0,0,1|1,0,1]=4 1493 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,1|2,0,0]=4 1494 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,1|2,0,0]=4 1495 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,1|2,0,0]=4 1496 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,0,0,0,1|1,0,1]=4 1497 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,0,0,0,1|1,0,1]=4 1498 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,0,0,0,1|1,0,1]=4 1499 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,1|1,0,1]=4 1500 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,0,0,0,1|1,0,1]=4 1501 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,0,0,0,1|1,0,1]=4 1502 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,1|2,0,0]=4 1503 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,1|2,0,0]=4 1504 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,1|2,0,0]=4 1505 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,1|2,0,0]=4 1506 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,1|2,0,0]=4 1507 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,1|2,0,0]=4 1508 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,1|2,0,0]=4 1509 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,0,0,0,1|2,0,0]=4 1510 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,1|2,0,0]=4 1511 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,1|1,0,1]=4 1512 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,1|1,0,1]=4 1513 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,1|1,0,1]=4 1514 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,1|1,0,1]=4 1515 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,1|1,0,1]=4 1516 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,1|1,0,1]=4 1517 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,1|1,0,1]=4 1518 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,1|1,0,0]=3 1519 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,1|1,0,0]=3 1520 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,1|1,0,0]=3 1521 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,1|1,0,0]=3 1522 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,1|2,0,0]=4 1523 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,1|2,0,0]=4 1524 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1525 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,1|2,0,0]=4 1526 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,1|2,0,0]=4 1527 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1528 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,1|2,0,0]=4 1529 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,1|2,0,0]=4 1530 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,1|2,0,0]=4 1531 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,1|2,0,0]=4 1532 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,1|2,0,0]=4 1533 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,1|2,0,0]=4 1534 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,1|2,0,0]=4 1535 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,1|1,0,0]=3 1536 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,1|1,0,0]=3 1537 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,1|1,0,0]=3 1538 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,1|1,0,0]=3 1539 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,1|1,0,0]=3 1540 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,1|1,0,0]=3 1541 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,1|1,0,0]=3 1542 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,1|1,0,0]=3 1543 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,1|1,0,0]=3 1544 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,1|1,0,0]=3 1545 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,1|1,0,0]=3 1546 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,1|1,0,0]=3 1547 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,1|1,0,0]=3 1548 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,1|1,0,0]=3 1549 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,1|1,0,0]=3 1550 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,1|1,0,0]=3 1551 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,1|1,0,0]=3 1552 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,1|1,0,0]=3 1553 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,1|1,0,0]=3 1554 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,1|1,0,0]=3 1555 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,1|1,0,0]=3 1556 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,1|2,0,0]=4 1557 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,1|2,0,0]=4 1558 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,1|2,0,0]=4 1559 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,1|2,0,0]=4 1560 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,1|2,0,0]=4 1561 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,1|2,0,0]=4 1562 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,1|2,0,0]=4 1563 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,1|2,0,0]=4 1564 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,1|1,0,0]=3 1565 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,1|1,0,1]=4 1566 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,1|1,0,1]=4 1567 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,1|1,0,0]=3 1568 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,1|1,0,0]=3 1569 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,1|1,0,0]=3 1570 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,1|1,0,0]=3 1571 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,1|1,0,1]=4 1572 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,1|0,0,0]=2 1573 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,1|0,0,0]=2 1574 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,1|0,0,0]=2 1575 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,1|0,0,0]=2 1576 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,1|0,0,0]=2 1577 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,1|1,0,1]=4 1578 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,1|1,0,1]=4 1579 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,1|1,0,1]=4 1580 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,1|1,0,1]=4 1581 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,1|1,0,1]=4 1582 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,1,0,0,0,1|1,0,1]=4 1583 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,1|0,0,0]=2 1584 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,0,0,0,1|1,0,0]=3 1585 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,0,0,0,1|1,0,0]=3 1586 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,0,0,0,1|0,0,1]=3 1587 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,0,0,0,1|0,0,1]=3 1588 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,1,0,0,0,1|1,0,1]=4 1589 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,1,0,0,0,1|1,0,1]=4 1590 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,1,0,0,0,1|1,0,1]=4 1591 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,1,0,0,0,1|1,0,1]=4 1592 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,1,0,0,0,1|1,0,1]=4 1593 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,1,0,0,0,1|1,0,1]=4 1594 B8R0.9 COC(C)SC[N+](=O)[O-] 62a_100009879195_100000761209 [0,1,0,0,0,1|1,0,1]=4 1595 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,1|1,0,0]=3 1596 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,1|1,0,0]=3 1597 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,1|1,0,0]=3 1598 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,1|1,0,0]=3 1599 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,1,0,0,0,1|1,0,1]=4 1600 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,1|1,0,0]=3 1601 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,1|0,0,0]=2 1602 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,0,0,0,1|1,0,1]=4 1603 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,1|1,0,0]=3 1604 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,1|1,0,0]=3 1605 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,1|0,0,1]=3 1606 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,1|0,0,1]=3 1607 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,0,0,0,1|1,0,1]=4 1608 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,0,0,0,1|1,0,1]=4 1609 B8R0.9 C[C@H](CO)SC[N+](=O)[O-] 62a_100016084084_100000761209 [0,1,0,0,0,1|1,0,1]=4 1610 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,1|2,0,0]=4 1611 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,1,0,0,0,1|2,0,0]=4 1612 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,1,0,0,0,1|2,0,0]=4 1613 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,1|2,0,0]=4 1614 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,1|2,0,0]=4 1615 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,0,0,0,1|2,0,0]=4 1616 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,0,0,0,1|2,0,0]=4 1617 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,0,0,0,1|2,0,0]=4 1618 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,1,0,0,0,1|2,0,0]=4 1619 B8R0.23 C=C(F)CN(C)C(C)C 269982a_200000211004_100009893438 [0,1,0,0,0,1|2,0,0]=4 1620 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,1|2,0,0]=4 1621 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,1|1,0,1]=4 1622 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,1|1,0,0]=3 1623 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,1|2,0,0]=4 1624 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,1|1,0,0]=3 1625 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,1|1,0,0]=3 1626 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,1|1,0,0]=3 1627 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,1|1,0,0]=3 1628 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,1|1,0,0]=3 1629 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,1|2,0,0]=4 1630 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,1|2,0,0]=4 1631 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,1|1,0,0]=3 1632 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,1|1,0,0]=3 1633 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,1|1,0,0]=3 1634 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,1|1,0,0]=3 1635 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,1|1,0,0]=3 1636 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,1|2,0,0]=4 1637 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,1|2,0,0]=4 1638 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1639 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1640 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1641 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,1|1,0,0]=3 1642 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,1|2,0,0]=4 1643 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,1|1,0,0]=3 1644 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,1|1,0,0]=3 1645 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,1|1,0,0]=3 1646 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,1|0,0,1]=3 1647 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,1|1,0,1]=4 1648 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,1,0,0,0,1|1,0,1]=4 1649 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,1|0,0,2]=4 1650 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,1|1,0,1]=4 1651 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,1|1,0,1]=4 1652 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,1|1,0,0]=3 1653 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,1|1,0,0]=3 1654 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,1|1,0,0]=3 1655 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,1|0,0,0]=2 1656 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,1|1,0,0]=3 1657 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,1|0,0,1]=3 1658 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,1,0,0,0,1|1,0,1]=4 1659 B8R0.23 CC(C)N(C)C[N+](=O)[O-] 269982a_200000211004_100000761209 [0,1,0,0,0,1|1,0,1]=4 1660 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,1|1,0,1]=4 1661 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,1|1,0,1]=4 1662 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,1|1,0,0]=3 1663 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,1|1,0,0]=3 1664 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,1|1,0,0]=3 1665 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,1|1,0,0]=3 1666 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,1|0,0,1]=3 1667 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,1|0,0,0]=2 1668 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,1|1,0,0]=3 1669 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,1|1,0,0]=3 1670 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,1|1,0,0]=3 1671 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,1|1,0,0]=3 1672 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,1|0,0,1]=3 1673 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,1|0,0,1]=3 1674 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,1|1,0,0]=3 1675 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,1|1,0,0]=3 1676 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,1|1,0,0]=3 1677 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,1|1,0,0]=3 1678 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,1|1,0,0]=3 1679 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,1|1,0,0]=3 1680 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,1|0,0,1]=3 1681 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,1|0,0,1]=3 1682 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,1|2,0,0]=4 1683 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,1|2,0,0]=4 1684 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,1|2,0,0]=4 1685 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,1|1,0,1]=4 1686 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,1|1,0,1]=4 1687 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,1,0,0,0,1|1,0,1]=4 1688 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,1,0,0,0,1|1,0,1]=4 1689 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,1,0,0,0,1|1,0,1]=4 1690 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 1691 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 1692 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,1|2,0,0]=4 1693 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,1|1,0,1]=4 1694 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,1|2,0,0]=4 1695 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,1|1,0,1]=4 1696 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,1,0,0,0,1|2,0,0]=4 1697 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,0,0,0,1|2,0,0]=4 1698 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,0,0,0,1|2,0,0]=4 1699 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,0,0,0,1|2,0,0]=4 1700 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,1,0,0,0,1|2,0,0]=4 1701 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,1,0,0,0,1|2,0,0]=4 1702 B8R0.29 C=C(F)CNC(C)(C)C 2230a_100000715429_100009893438 [0,1,0,0,0,1|2,0,0]=4 1703 B8R0.29 C=C(F)COC(C)(C)C 34a_100015890283_100009893438 [0,1,0,0,0,1|2,0,0]=4 1704 B8R0.29 C=C(F)COC(C)(C)C 34a_200010262243_100000210625 [0,1,0,0,0,1|2,0,0]=4 1705 B8R0.29 C=C(F)COC(C)(C)C 7a_100015890283_100000042424 [0,1,0,0,0,1|2,0,0]=4 1706 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000042424_100000211941 [0,1,0,0,0,1|2,0,0]=4 1707 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000211941_100000042424 [0,1,0,0,0,1|2,0,0]=4 1708 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,0,0,0,1|1,0,1]=4 1709 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,1|1,0,0]=3 1710 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,1|1,0,0]=3 1711 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,0,1|2,0,0]=4 1712 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,0,1|2,0,0]=4 1713 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,0,1|1,1,0]=4 1714 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,0,1|1,1,0]=4 1715 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,1|1,0,0]=3 1716 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,1|1,0,0]=3 1717 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,0,1|1,0,0]=3 1718 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,0,1|1,0,0]=3 1719 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,0,1|1,0,0]=3 1720 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,0,1|1,0,0]=3 1721 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,0,1|1,0,0]=3 1722 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,0,1|1,0,0]=3 1723 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,0,1|1,0,0]=3 1724 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,0,1|1,0,0]=3 1725 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,0,1|1,0,0]=3 1726 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,0,1|1,0,0]=3 1727 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,0,1|1,0,0]=3 1728 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,1,0,0,0,1|2,0,0]=4 1729 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,1,0,0,0,1|2,0,0]=4 1730 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,1,0,0,0,1|2,0,0]=4 1731 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,1,0,0,0,1|2,0,0]=4 1732 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,0,0,0,1|1,1,0]=4 1733 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,0,0,0,1|1,1,0]=4 1734 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,0,0,0,1|1,1,0]=4 1735 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,0,0,0,1|1,1,0]=4 1736 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,0,0,0,1|2,0,0]=4 1737 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,0,0,0,1|1,0,1]=4 1738 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,1|1,0,0]=3 1739 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,0,1|1,0,0]=3 1740 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,0,1|0,0,0]=2 1741 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,0,1|1,0,0]=3 1742 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,0,1|1,0,0]=3 1743 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,1|1,0,0]=3 1744 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,0,1|0,0,1]=3 1745 B8R0.29 CC(C)(C)OC[N+](=O)[O-] 34a_100015890283_100000761209 [0,1,0,0,0,1|1,0,1]=4 1746 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,0,1|1,0,0]=3 1747 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,0,1|1,0,0]=3 1748 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,0,1|0,0,1]=3 1749 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,0,1|0,0,1]=3 1750 B8R0.29 CC(C)(C)SC[N+](=O)[O-] 62a_100000211941_100000761209 [0,1,0,0,0,1|1,0,1]=4 1751 B8R0.29 CC(C)CNS(=O)(=O)C 40a_100000210953_100000738038 [0,1,0,0,0,1|1,0,1]=4 1752 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,1,0,0,0,1|1,0,1]=4 1753 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,1,0,0,0,1|1,0,1]=4 1754 B8R0.29 CC(C)NCS(=O)(=O)[O-] 34a_100138425928_100009817235 [0,1,0,0,0,1|1,0,1]=4 1755 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,0,0,0,1|1,0,1]=4 1756 B8R0.29 CC(C)OCS(=O)(=O)[O-] 34a_100000212225_100009817235 [0,1,0,0,0,1|1,0,1]=4 1757 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,0,0,0,1|1,0,1]=4 1758 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,0,0,0,1|1,0,1]=4 1759 B8R0.29 CC(C)SCS(=O)(=O)N 62a_100000210206_100000741382 [0,1,0,0,0,1|1,0,1]=4 1760 B8R0.29 CC(C)SCS(=O)(=O)N 62a_100000741382_100000210206 [0,1,0,0,0,1|1,0,1]=4 1761 B8R0.29 CC(C)SCS(=O)(=O)[O-] 62a_100000210206_100009817235 [0,1,0,0,0,1|1,0,1]=4 1762 B8R0.29 CC(C)SCS(=O)(=O)[O-] 62a_100009817235_100000210206 [0,1,0,0,0,1|1,0,1]=4 1763 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,0,1|2,0,0]=4 1764 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,1,0,0,0,1|1,0,1]=4 1765 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,1,0,0,0,1|1,0,1]=4 1766 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,1,0,0,0,1|1,0,1]=4 1767 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,1,0,0,0,1|1,0,1]=4 1768 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,1,0,0,0,1|1,0,1]=4 1769 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,1,0,0,0,1|1,0,1]=4 1770 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,1,0,0,0,1|1,0,1]=4 1771 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,1,0,0,0,1|1,0,1]=4 1772 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,1,0,0,0,1|1,0,1]=4 1773 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,1,0,0,0,1|1,0,1]=4 1774 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,1,0,0,0,1|1,0,1]=4 1775 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,0,1|1,1,0]=4 1776 B8R0.29 O=C(O)CNC(F)(F)F 269956a_100016091260_200000243211 [0,1,0,0,0,1|2,0,0]=4 1777 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,2,0,0,0,0|2,0,0]=4 1778 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,2,0,0,0,0|2,0,0]=4 1779 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,2,0,0,0,0|1,0,1]=4 1780 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,2,0,0,0,0|2,0,0]=4 1781 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,2,0,0,0,0|2,0,0]=4 1782 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,2,0,0,0,0|2,0,0]=4 1783 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,2,0,0,0,0|1,0,0]=3 1784 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,2,0,0,0,0|1,0,0]=3 1785 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,2,0,0,0,0|1,0,0]=3 1786 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,2,0,0,0,0|1,0,0]=3 1787 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,2,0,0,0,0|1,0,0]=3 1788 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,2,0,0,0,0|1,0,1]=4 1790 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|1,0,0]=3 1791 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,2,0,0,0,0|2,0,0]=4 1792 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,2,0,0,0,0|2,0,0]=4 1793 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 1796 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,2,0,0,0,0|2,0,0]=4 1797 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,2,0,0,0,0|2,0,0]=4 1798 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|1,0,0]=3 1799 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 1800 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 1801 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,2,0,0,0,0|2,0,0]=4 1802 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,2,0,0,0,0|2,0,0]=4 1803 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1804 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,2,0,0,0,0|2,0,0]=4 1805 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,2,0,0,0,0|2,0,0]=4 1806 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,2,0,0,0,0|2,0,0]=4 1808 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,2,0,0,0,0|2,0,0]=4 1809 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,2,0,0,0,0|1,0,0]=3 1811 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1812 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 1813 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|1,0,1]=4 1817 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,2,0,0,0,0|1,0,0]=3 1818 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,2,0,0,0,0|1,0,0]=3 1819 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,2,0,0,0,0|1,0,0]=3 1820 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,2,0,0,0,0|1,0,0]=3 1821 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,2,0,0,0,0|2,0,0]=4 1822 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,2,0,0,0,0|2,0,0]=4 1823 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [0,2,0,0,0,0|2,0,0]=4 1824 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,2,0,0,0,0|1,0,0]=3 1830 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,2,0,0,0,0|1,0,1]=4 1831 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,2,0,0,0,0|1,0,1]=4 1832 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,2,0,0,0,0|1,0,1]=4 1833 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,2,0,0,0,0|1,0,1]=4 1834 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|1,0,1]=4 1835 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1836 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1837 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,2,0,0,0,0|1,0,0]=3 1838 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,2,0,0,0,0|1,0,0]=3 1839 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,2,0,0,0,0|1,0,0]=3 1843 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,2,0,0,0,0|1,0,1]=4 1844 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,2,0,0,0,0|1,0,1]=4 1845 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,2,0,0,0,0|1,0,0]=3 1846 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,2,0,0,0,0|1,0,0]=3 1848 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,2,0,0,0,0|1,0,0]=3 1850 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,2,0,0,0,0|1,0,0]=3 1851 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.5 C#CCC(=O)CN(C)C 1458a_100000750896_100000184674 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.5 C#CCC(=O)C[S+](C)C 1458a_200159257847_100000184674 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,2,0,0,0,0|2,0,0]=4 1857 B8R0.5 C#CCN(C)CC(=O)N 2230a_100000225692_100000747473 [0,2,0,0,0,0|2,0,0]=4 1858 B8R0.5 C#CCN(C)CC(=O)N 2230a_100000739694_100000038162 [0,2,0,0,0,0|2,0,0]=4 1859 B8R0.5 C#CCN(C)CC(=O)N 34a_100000225692_100000187820 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.5 C#CCN(C)CC(=O)[O-] 34a_100000225692_100020667443 [0,2,0,0,0,0|1,0,1]=4 1863 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|0,0,2]=4 1865 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|0,0,2]=4 1866 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|1,0,0]=3 1867 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|1,0,0]=3 1868 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,2,0,0,0,0|2,0,0]=4 1869 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,2,0,0,0,0|2,0,0]=4 1872 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,2,0,0,0,0|1,0,0]=3 1881 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,2,0,0,0,0|1,0,1]=4 1882 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,2,0,0,0,0|1,0,0]=3 1883 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,2,0,0,0,0|1,0,1]=4 1884 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,2,0,0,0,0|1,0,0]=3 1885 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,2,0,0,0,0|1,0,0]=3 1886 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,2,0,0,0,0|1,0,0]=3 1887 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|0,0,2]=4 1889 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|1,0,1]=4 1890 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,2,0,0,0,0|1,0,0]=3 1899 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,2,0,0,0,0|1,0,0]=3 1900 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,2,0,0,0,0|1,0,0]=3 1901 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,2,0,0,0,0|1,0,0]=3 1902 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,2,0,0,0,0|1,0,0]=3 1903 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|1,0,0]=3 1904 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|0,0,0]=2 1905 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|0,0,0]=2 1906 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,2,0,0,0,0|1,0,1]=4 1907 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,2,0,0,0,0|1,0,1]=4 1908 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,2,0,0,0,0|1,0,1]=4 1920 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,2,0,0,0,0|2,0,0]=4 1925 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,2,0,0,0,0|2,0,0]=4 1926 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,2,0,0,0,0|2,0,0]=4 1927 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,2,0,0,0,0|2,0,0]=4 1928 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|1,0,0]=3 1929 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,2,0,0,0,0|1,1,0]=4 1931 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,2,0,0,0,0|1,1,0]=4 1932 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|1,1,0]=4 1933 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|1,1,0]=4 1934 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|1,0,0]=3 1940 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|2,0,0]=4 1941 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|1,0,0]=3 1945 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|1,0,0]=3 1946 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|2,0,0]=4 1947 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|2,0,0]=4 1948 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|2,0,0]=4 1950 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|2,0,0]=4 1954 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|1,0,0]=3 1957 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|1,0,0]=3 1958 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|1,0,0]=3 1959 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1962 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|2,0,0]=4 1963 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|2,0,0]=4 1964 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,0]=3 1967 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|1,0,1]=4 1968 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 1969 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 1970 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|1,0,0]=3 1971 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,2,0,0,0,0|2,0,0]=4 1972 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,2,0,0,0,0|2,0,0]=4 1977 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,2,0,0,0,0|2,0,0]=4 1979 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,2,0,0,0,0|2,0,0]=4 1985 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,2,0,0,0,0|2,0,0]=4 1986 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,2,0,0,0,0|2,0,0]=4 1987 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|1,0,1]=4 1990 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|1,0,1]=4 1992 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|1,0,0]=3 1993 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|1,0,0]=3 1994 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|1,0,0]=3 1995 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|1,0,0]=3 1996 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,2,0,0,0,0|1,0,1]=4 1997 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,2,0,0,0,0|1,0,1]=4 1998 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,2,0,0,0,0|1,0,1]=4 1999 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|1,0,0]=3 2000 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|1,0,0]=3 2001 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.5 CN(C)CC(=O)CC#N 1458a_100000750896_100011214920 [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,2,0,0,0,0|1,0,0]=3 2006 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,2,0,0,0,0|1,0,0]=3 2007 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,2,0,0,0,0|1,0,0]=3 2008 B8R0.5 CN(CC#N)CC(=O)N 2230a_100000739694_100011215382 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.5 CN(CC#N)CC(=O)N 2230a_100000748184_100000747473 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,2,0,0,0,0|1,0,0]=3 2011 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,2,0,0,0,0|1,0,0]=3 2013 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|1,0,0]=3 2015 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,2,0,0,0,0|2,0,0]=4 2016 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,2,0,0,0,0|2,0,0]=4 2017 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|1,0,0]=3 2019 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|1,0,0]=3 2020 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,2,0,0,0,0|1,0,1]=4 2021 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,2,0,0,0,0|2,0,0]=4 2023 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|2,0,0]=4 2026 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|2,0,0]=4 2027 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|1,0,0]=3 2029 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,2,0,0,0,0|1,0,0]=3 2030 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|0,0,0]=2 2037 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|1,0,0]=3 2038 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2040 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2041 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2042 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,2,0,0,0,0|1,0,0]=3 2044 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|1,0,0]=3 2045 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|1,0,0]=3 2047 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,2,0,0,0,0|1,0,1]=4 2054 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|0,1,0]=3 2055 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|1,1,0]=4 2056 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,2,0,0,0,0|1,1,0]=4 2057 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,2,0,0,0,0|1,1,0]=4 2058 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,2,0,0,0,0|1,1,0]=4 2059 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,2,0,0,0,0|1,1,0]=4 2060 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,2,0,0,0,0|1,1,0]=4 2061 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,2,0,0,0,0|1,1,0]=4 2062 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|1,1,0]=4 2063 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|1,1,0]=4 2064 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,2,0,0,0,0|2,0,0]=4 2065 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|1,0,0]=3 2066 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|2,0,0]=4 2068 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|1,0,0]=3 2069 B8R0.5 C[S+](C)CC(=O)CC#N 1458a_200159257847_100011214920 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,2,0,0,0,0|2,0,0]=4 2071 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,2,0,0,0,0|1,0,0]=3 2072 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|1,0,0]=3 2074 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|1,0,0]=3 2075 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [0,2,0,0,0,0|1,0,1]=4 2076 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [0,2,0,0,0,0|1,0,1]=4 2077 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [0,2,0,0,0,0|1,0,1]=4 2078 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [0,2,0,0,0,0|1,0,1]=4 2079 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,2,0,0,0,0|1,0,1]=4 2080 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,2,0,0,0,0|1,0,1]=4 2081 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,2,0,0,0,0|1,0,1]=4 2083 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,2,0,0,0,0|2,0,0]=4 2084 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2086 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2087 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,2,0,0,0,0|1,0,1]=4 2088 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,2,0,0,0,0|1,0,1]=4 2089 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|1,0,0]=3 2090 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2091 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2092 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2093 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,2,0,0,0,0|1,0,0]=3 2099 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,2,0,0,0,0|2,0,0]=4 2100 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,2,0,0,0,0|1,0,1]=4 2101 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,2,0,0,0,0|1,0,1]=4 2102 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,2,0,0,0,0|1,0,0]=3 2103 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,2,0,0,0,0|1,0,1]=4 2104 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,2,0,0,0,0|2,0,0]=4 2105 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,2,0,0,0,0|0,0,0]=2 2107 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,2,0,0,0,0|0,0,0]=2 2108 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,2,0,0,0,0|0,0,0]=2 2109 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,2,0,0,0,0|1,0,1]=4 2110 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,2,0,0,0,0|1,0,1]=4 2111 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2112 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2113 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,2,0,0,0,0|1,0,0]=3 2114 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,2,0,0,0,0|1,0,0]=3 2115 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,2,0,0,0,0|1,0,0]=3 2116 B8R0.16 O=C([O-])CN(CO)CF 269956a_100016989150_100015361967 [0,2,0,0,0,0|1,0,1]=4 2117 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,2,0,0,0,0|0,0,0]=2 2118 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,2,0,0,0,0|1,0,0]=3 2119 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,2,0,0,0,0|1,0,0]=3 2121 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,2,0,0,0,0|1,0,0]=3 2122 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,2,0,0,0,0|1,0,1]=4 2123 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,2,0,0,0,0|1,0,1]=4 2124 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|1,0,0]=3 2125 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|1,0,0]=3 2127 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|1,0,0]=3 2128 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,1]=4 2134 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|1,0,1]=4 2135 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|1,0,1]=4 2136 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 2137 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 2138 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 2139 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,2,0,0,0,0|1,0,1]=4 2140 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|1,0,1]=4 2141 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|1,0,1]=4 2142 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|1,0,1]=4 2143 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,0]=3 2144 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,0]=3 2145 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,0]=3 2150 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|1,0,0]=3 2151 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|1,0,0]=3 2162 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|0,0,0]=2 2163 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|1,0,0]=3 2164 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2165 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2166 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|1,0,0]=3 2167 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|1,0,0]=3 2168 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|1,0,0]=3 2169 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|2,0,0]=4 2170 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 2171 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|2,0,0]=4 2181 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|1,0,0]=3 2186 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|1,0,0]=3 2187 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|1,0,0]=3 2188 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|0,0,0]=2 2189 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|1,0,1]=4 2190 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|1,0,1]=4 2191 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,2,0,0,0,0|2,0,0]=4 2193 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,2,0,0,0,0|2,0,0]=4 2195 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,2,0,0,0,0|2,0,0]=4 2196 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,2,0,0,0,0|2,0,0]=4 2197 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,2,0,0,0,0|2,0,0]=4 2198 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,2,0,0,0,0|2,0,0]=4 2199 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,2,0,0,0,0|2,0,0]=4 2200 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|0,0,0]=2 2201 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|0,0,0]=2 2202 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|0,0,0]=2 2203 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|1,0,1]=4 2204 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|1,0,1]=4 2205 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|0,0,0]=2 2206 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|0,0,0]=2 2207 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|0,0,0]=2 2208 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|0,0,0]=2 2209 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|0,0,0]=2 2210 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|0,0,0]=2 2211 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|1,0,0]=3 2212 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|1,0,0]=3 2213 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|1,0,0]=3 2214 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|1,0,0]=3 2215 B8R0.24 C#CC(=O)C[Si](C)(C)C 1458a_100000211873_100000233785 [0,2,0,0,0,0|1,1,0]=4 2216 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [0,2,0,0,0,0|1,1,0]=4 2217 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,2,0,0,0,0|1,0,0]=3 2220 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,2,0,0,0,0|1,0,0]=3 2221 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,2,0,0,0,0|1,0,0]=3 2222 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,2,0,0,0,0|1,0,0]=3 2223 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,2,0,0,0,0|1,0,1]=4 2224 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|1,0,0]=3 2225 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|1,0,0]=3 2226 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,2,0,0,0,0|2,0,0]=4 2227 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,2,0,0,0,0|1,1,0]=4 2228 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,2,0,0,0,0|1,1,0]=4 2229 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2230 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2232 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 2233 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,2,0,0,0,0|1,0,0]=3 2234 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 2235 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 2236 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 2237 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,2,0,0,0,0|1,0,0]=3 2238 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,2,0,0,0,0|2,0,0]=4 2239 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,2,0,0,0,0|2,0,0]=4 2240 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,2,0,0,0,0|2,0,0]=4 2241 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,2,0,0,0,0|2,0,0]=4 2242 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,2,0,0,0,0|1,1,0]=4 2243 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,2,0,0,0,0|1,1,0]=4 2244 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 2248 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,2,0,0,0,0|1,0,1]=4 2249 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [0,2,0,0,0,0|1,1,0]=4 2251 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [0,2,0,0,0,0|0,1,0]=3 2252 B8R0.34 C#CC(C)(C)NC(=O)C 11a_100000054563_100015343762 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.34 C#CC(C)(C)NC(=O)C 1626a_100000054563_100015343762 [0,2,0,0,0,0|2,0,0]=4 2254 B8R0.34 C#CC(C)(C)NC(=O)C 240690a_100000054563_100015343762 [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.34 C=C[Si](C)(C)CC(=O)C 1458a_100000070787_100000038793 [0,2,0,0,0,0|1,1,0]=4 2256 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,2,0,0,0,0|1,0,0]=3 2257 B8R0.34 CC(=O)NC(C)(C)C#N 11a_100000761509_100015343762 [0,2,0,0,0,0|2,0,0]=4 2258 B8R0.34 CC(=O)NC(C)(C)C#N 1626a_100000761509_100015343762 [0,2,0,0,0,0|2,0,0]=4 2259 B8R0.34 CC(=O)NC(C)(C)C#N 527a_100000761509_100103153847 [0,2,0,0,0,0|2,0,0]=4 2260 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,2,0,0,0,0|2,0,0]=4 2261 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,2,0,0,0,0|2,0,0]=4 2262 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,2,0,0,0,0|1,0,0]=3 2263 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,2,0,0,0,0|0,0,0]=2 2264 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|1,0,0]=3 2265 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|1,0,0]=3 2266 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 2267 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 2269 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,2,0,0,0,0|2,0,0]=4 2270 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2271 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2272 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,2,0,0,0,0|1,0,0]=3 2273 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,2,0,0,0,0|0,0,0]=2 2274 B8R0.34 CNS(=O)(=O)CC(C)C 270084a_100102657272_100000748289 [0,2,0,0,0,0|1,0,1]=4 2275 B8R0.34 CNS(=O)(=O)CC(C)C 274078a_100102657272_100000748289 [0,2,0,0,0,0|1,0,1]=4 2276 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,2,0,0,0,0|1,0,0]=3 2277 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2278 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2279 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2280 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,2,0,0,0,0|1,0,0]=3 2281 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,2,0,0,0,0|1,0,0]=3 2282 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|1,0,0]=3 2283 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|1,0,0]=3 2284 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|0,0,0]=2 2285 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|1,0,0]=3 2286 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,2,0,0,0,0|2,0,0]=4 2287 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 2288 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,2,0,0,0,0|2,0,0]=4 2289 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,2,0,0,0,0|2,0,0]=4 2290 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2291 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2292 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2293 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|2,0,0]=4 2294 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2295 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,2,0,0,0,0|2,0,0]=4 2296 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2297 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,2,0,0,0,0|2,0,0]=4 2298 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|1,0,0]=3 2299 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|1,0,0]=3 2300 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|1,0,0]=3 2301 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|1,0,0]=3 2302 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|1,0,0]=3 2303 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|0,0,0]=2 2304 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,2,0,0,0,0|2,0,0]=4 2305 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|1,0,0]=3 2306 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|1,0,0]=3 2307 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|1,0,0]=3 2308 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,2,0,0,0,0|2,0,0]=4 2309 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.37 CN(C)C(C)(C)C(=O)N 2230a_100102631434_100000702505 [0,2,0,0,0,0|2,0,0]=4 2312 B8R0.37 CN(C)C(C)(C)C(=O)N 269982a_100102631434_100000702505 [0,2,0,0,0,0|2,0,0]=4 2313 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2314 B8R0.37 CN(C)C(F)(F)C(=O)N 269982a_100102631434_100009811971 [0,2,0,0,0,0|2,0,0]=4 2315 B8R0.37 CN(C)C(F)(F)C(=O)[O-] 269982a_100102631434_100000745680 [0,2,0,0,0,0|1,0,1]=4 2316 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,1,0,0|2,0,0]=4 2317 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,1,0,0|2,0,0]=4 2318 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 2319 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 2320 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|2,0,0]=4 2321 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 2322 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|2,0,0]=4 2323 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 2324 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|2,0,0]=4 2325 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|2,0,0]=4 2326 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|2,0,0]=4 2327 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|2,0,0]=4 2328 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 2329 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 2330 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|2,0,0]=4 2331 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|2,0,0]=4 2332 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|2,0,0]=4 2333 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2334 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2335 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 2336 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2337 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2338 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 2339 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [1,0,0,1,0,0|1,0,1]=4 2340 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [1,0,0,1,0,0|1,0,1]=4 2341 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 2342 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 2343 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 2344 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 2345 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2346 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,1|2,0,0]=4 2347 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2348 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2349 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2350 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,1|2,0,0]=4 2351 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,1|1,0,0]=3 2352 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,1|2,0,0]=4 2353 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,1|2,0,0]=4 2354 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,1|1,0,0]=3 2355 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,1|1,0,0]=3 2356 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,1|1,0,0]=3 2357 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,0,1,0,1|2,0,0]=4 2358 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,0,1,0,1|2,0,0]=4 2359 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,0,1,0,1|2,0,0]=4 2360 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,0,1|2,0,0]=4 2361 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,0,1|2,0,0]=4 2362 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,0,1|2,0,0]=4 2363 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,1|2,0,0]=4 2364 B8R1.23 CC(C)N1CC(C1)O 269982a_100000749847_100000210206 [0,0,0,1,0,1|1,0,1]=4 2365 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,1|1,0,0]=3 2366 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,0,1|2,0,0]=4 2367 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,1|2,0,0]=4 2368 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,1|2,0,0]=4 2369 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,1|2,0,0]=4 2370 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,1|2,0,0]=4 2371 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,1|2,0,0]=4 2372 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,0,1,0,1|2,0,0]=4 2373 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,0,1,0,1|2,0,0]=4 2374 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,0,1,0,1|2,0,0]=4 2375 B8R1.35 C=C(F)CNC1CC1 34a_100000212008_100009893438 [0,0,0,1,0,1|2,0,0]=4 2376 B8R1.35 C=C(F)COC1CC1 34a_200010262243_100000211595 [0,0,0,1,0,1|2,0,0]=4 2377 B8R1.35 C=C(F)CSC1CC1 62a_100000042424_100000211595 [0,0,0,1,0,1|2,0,0]=4 2378 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,1|1,0,1]=4 2379 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,1|1,0,0]=3 2380 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,1|1,0,0]=3 2381 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,1,0,1|2,0,0]=4 2382 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,1|1,0,0]=3 2383 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,1|1,0,0]=3 2384 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,1|1,0,0]=3 2385 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,1|1,0,0]=3 2386 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,1|1,0,0]=3 2387 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,1|2,0,0]=4 2388 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [0,0,0,1,0,1|1,0,1]=4 2389 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [0,0,0,1,0,1|1,0,1]=4 2390 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,0,0,1,0,1|1,0,1]=4 2391 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,0,0,1,0,1|1,0,1]=4 2392 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,0,0,1,0,1|1,0,1]=4 2393 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,0,0,1,0,1|1,0,1]=4 2394 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,0,0,1,0,1|1,0,1]=4 2395 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,0,0,1,0,1|1,0,1]=4 2396 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,1|1,0,1]=4 2397 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,0,0,1,0,1|1,0,1]=4 2398 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,0,0,1,0,1|1,0,1]=4 2399 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,0,0,1,0,1|1,0,1]=4 2400 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,0,0,1,0,1|1,0,1]=4 2401 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,1|1,0,0]=3 2402 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,1|1,0,0]=3 2403 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,1|0,0,0]=2 2404 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,1|0,0,1]=3 2405 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,1|0,0,1]=3 2406 B8R1.35 O=[N+]([O-])CNC1CC1 34a_100000212008_100000761209 [0,0,0,1,0,1|1,0,1]=4 2407 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,1|1,0,1]=4 2408 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,1|1,0,0]=3 2409 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,1|1,0,0]=3 2410 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,1|1,0,0]=3 2411 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,1,0,0|1,0,1]=4 2412 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|2,0,0]=4 2413 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|1,0,1]=4 2414 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|1,0,0]=3 2415 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,0,0]=3 2416 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|1,0,1]=4 2417 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|1,0,0]=3 2418 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,1,0,0|1,0,1]=4 2419 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|1,0,0]=3 2420 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|1,0,0]=3 2421 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|1,0,0]=3 2422 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|1,0,0]=3 2423 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|1,0,1]=4 2424 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|1,0,0]=3 2425 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|1,0,0]=3 2426 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|1,0,0]=3 2427 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 2428 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|1,0,0]=3 2429 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 2430 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|1,0,0]=3 2431 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 2432 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 2433 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|2,0,0]=4 2434 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|2,0,0]=4 2435 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|1,0,0]=3 2436 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|1,0,0]=3 2437 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|1,0,0]=3 2438 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|1,0,0]=3 2439 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|1,0,0]=3 2440 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|1,0,0]=3 2441 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|1,0,0]=3 2442 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2443 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2444 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2445 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,1,0,0|2,0,0]=4 2446 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,1,0,1,0,0|2,0,0]=4 2447 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,1,0,1,0,0|2,0,0]=4 2448 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,1,0,1,0,0|2,0,0]=4 2449 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,1,0,1,0,0|2,0,0]=4 2450 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,1,0,1,0,0|2,0,0]=4 2451 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,1,0,1,0,0|2,0,0]=4 2452 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,1,0,1,0,0|2,0,0]=4 2453 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,1,0,1,0,0|2,0,0]=4 2454 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,1,0,1,0,0|2,0,0]=4 2455 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,1,0,1,0,0|1,0,1]=4 2456 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|1,0,0]=3 2457 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|1,0,0]=3 2458 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,1,0,1,0,0|1,0,0]=3 2459 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,1,0,1,0,0|2,0,0]=4 2460 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,1,0,1,0,0|2,0,0]=4 2461 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,1,0,1,0,0|2,0,0]=4 2462 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,1,0,1,0,0|1,0,0]=3 2463 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,1,0,1,0,0|2,0,0]=4 2464 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,1,0,1,0,0|2,0,0]=4 2465 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,1,0,1,0,0|2,0,0]=4 2466 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,1,0,1,0,0|2,0,0]=4 2467 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,1,0,1,0,0|2,0,0]=4 2468 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|1,0,0]=3 2469 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|1,0,0]=3 2470 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|2,0,0]=4 2471 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|2,0,0]=4 2472 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|2,0,0]=4 2473 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|2,0,0]=4 2474 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|2,0,0]=4 2475 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|2,0,0]=4 2476 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|1,0,0]=3 2477 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 2478 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 2479 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|1,0,0]=3 2480 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,1,0,1,0,0|2,0,0]=4 2481 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,1,0,1,0,0|2,0,0]=4 2482 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,1,0,1,0,0|2,0,0]=4 2483 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,1,0,1,0,0|2,0,0]=4 2484 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,1,0,1,0,0|2,0,0]=4 2485 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|1,0,0]=3 2486 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|0,0,0]=2 2487 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|1,0,0]=3 2488 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|1,0,0]=3 2489 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|1,0,0]=3 2490 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|1,0,0]=3 2491 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|1,0,0]=3 2492 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|1,0,0]=3 2493 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,1,0,1,0,0|1,0,0]=3 2494 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2495 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2496 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2497 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,1,0,1,0,0|2,0,0]=4 2498 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|1,0,0]=3 2499 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|1,0,1]=4 2500 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|1,0,0]=3 2501 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|1,0,0]=3 2502 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|1,0,1]=4 2503 B8R1.53 CNC1CS(=O)(=O)C1 2230a_100000695474_200000210301 [0,1,0,1,0,0|1,0,1]=4 2504 B8R1.53 CNC1CS(=O)(=O)C1 34a_100000695474_200000210301 [0,1,0,1,0,0|1,0,1]=4 2505 B8R1.53 CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_200000210301 [0,1,0,1,0,0|1,0,1]=4 2506 B8R1.53 COC1CS(=O)(=O)C1 34a_100000072295_200000210301 [0,1,0,1,0,0|1,0,1]=4 2507 B8R1.53 COC1CS(=O)(=O)C1 7a_100000072295_200000210301 [0,1,0,1,0,0|1,0,1]=4 2508 B8R1.53 C[C@@]1(C[C@H](C1)N[13CH3])O 2230a_100121572536_200025704644 [0,1,0,1,0,0|1,0,1]=4 2509 B8R1.53 [13CH3]NC1CS(=O)(=O)C1 2230a_100000695474_200025704644 [0,1,0,1,0,0|1,0,1]=4 2510 B8R1.53 [13CH3]NC1CS(=O)(=O)C1 34a_100000695474_200025704644 [0,1,0,1,0,0|1,0,1]=4 2511 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 34a_100000072295_200025704644 [0,1,0,1,0,0|1,0,1]=4 2512 B8R1.53 [13CH3]OC1CS(=O)(=O)C1 7a_100000072295_200025704644 [0,1,0,1,0,0|1,0,1]=4 2513 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|1,0,0]=3 2514 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|1,0,0]=3 2515 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|2,0,0]=4 2516 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|1,0,0]=3 2517 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|1,0,0]=3 2518 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|1,0,0]=3 2519 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,1,0,1,0,0|2,0,0]=4 2520 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 2521 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 2522 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|1,0,0]=3 2523 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|1,0,0]=3 2524 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,1,0,1,0,0|2,0,0]=4 2525 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2526 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2527 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2528 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|2,0,0]=4 2529 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,0,0,0,0,2|2,0,0]=4 2530 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,2|2,0,0]=4 2531 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,2|2,0,0]=4 2532 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,2|2,0,0]=4 2533 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,2|2,0,0]=4 2534 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,2|2,0,0]=4 2535 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,2|2,0,0]=4 2536 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,2|0,0,2]=4 2537 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,0,0,0,2|2,0,0]=4 2538 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,0,0,0,2|2,0,0]=4 2539 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,2|2,0,0]=4 2540 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,2|2,0,0]=4 2541 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,2|2,0,0]=4 2542 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,2|2,0,0]=4 2543 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,0,0,0,0,2|2,0,0]=4 2544 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,0,0,0,0,2|2,0,0]=4 2545 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,0,0,0,0,2|2,0,0]=4 2546 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,0,0,0,0,2|2,0,0]=4 2547 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,0,0,0,0,2|2,0,0]=4 2548 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,0,0,0,0,2|2,0,0]=4 2549 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,2|2,0,0]=4 2550 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,2|2,0,0]=4 2551 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,2|2,0,0]=4 2552 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,2|2,0,0]=4 2553 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,2|2,0,0]=4 2554 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,2|2,0,0]=4 2555 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,2|2,0,0]=4 2556 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,2|1,0,0]=3 2557 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,2|2,0,0]=4 2558 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,2|1,0,1]=4 2559 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,2|1,0,0]=3 2560 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,2|1,0,0]=3 2561 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,2|2,0,0]=4 2562 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,2|2,0,0]=4 2563 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,2|2,0,0]=4 2564 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,2|1,0,0]=3 2565 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,2|1,0,0]=3 2566 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,2|1,0,0]=3 2567 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,2|1,0,0]=3 2568 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,2|1,0,0]=3 2569 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,2|1,0,0]=3 2570 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,2|1,0,0]=3 2571 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,2|1,0,0]=3 2572 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,2|2,0,0]=4 2573 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,2|2,0,0]=4 2574 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,2|1,0,1]=4 2575 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,2|1,0,1]=4 2576 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,2|1,0,1]=4 2577 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,2|1,0,0]=3 2578 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,2|1,0,0]=3 2579 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,2|1,0,0]=3 2580 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,2|1,0,0]=3 2581 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,2|2,0,0]=4 2582 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,2|2,0,0]=4 2583 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,2|2,0,0]=4 2584 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,2|2,0,0]=4 2585 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,2|2,0,0]=4 2586 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,2|2,0,0]=4 2587 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,2|1,0,1]=4 2588 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,2|1,0,0]=3 2589 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,2|2,0,0]=4 2590 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,2|2,0,0]=4 2591 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,2|1,0,0]=3 2592 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,2|1,0,0]=3 2593 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,2|1,0,0]=3 2594 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,2|1,0,0]=3 2595 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,0,0,0,2|2,0,0]=4 2596 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,0,0,0,2|1,0,1]=4 2597 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,2|1,0,0]=3 2598 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,2|1,0,0]=3 2599 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,2|1,0,0]=3 2600 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,2|1,0,0]=3 2601 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,2|1,0,0]=3 2602 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,2|0,0,0]=2 2603 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,2|0,0,1]=3 2604 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,2|1,0,1]=4 2605 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,2|1,0,1]=4 2606 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,2|1,0,1]=4 2607 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,2|1,0,1]=4 2608 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,2|1,0,1]=4 2609 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,2|1,0,1]=4 2610 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,2|1,0,1]=4 2611 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,0,0,0,0,2|1,0,1]=4 2612 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,2|1,0,0]=3 2613 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,2|1,0,0]=3 2614 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,2|0,0,1]=3 2615 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,2|1,0,1]=4 2616 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,2|1,0,1]=4 2617 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,0,0,0,0,2|1,0,1]=4 2618 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,2|1,0,0]=3 2619 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,2|1,0,0]=3 2620 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,2|0,0,1]=3 2621 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,2|0,0,1]=3 2622 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,2|1,0,1]=4 2623 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,2|1,0,1]=4 2624 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,2|1,0,1]=4 2625 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,2|1,0,1]=4 2626 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,0,0,0,0,2|1,0,1]=4 2627 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,2|1,0,0]=3 2628 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,2|1,0,0]=3 2629 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,2|0,0,0]=2 2630 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,2|1,0,0]=3 2631 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,2|1,0,0]=3 2632 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,2|1,0,0]=3 2633 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,2|1,0,0]=3 2634 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,2|1,0,0]=3 2635 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,0,0,0,2|2,0,0]=4 2636 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,0,0,0,2|1,0,1]=4 2637 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,2|1,0,1]=4 2638 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,2|1,0,1]=4 2639 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,2|1,0,1]=4 2640 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,2|1,0,1]=4 2641 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,2|1,0,1]=4 2642 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,2|1,0,1]=4 2643 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,2|2,0,0]=4 2644 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,2|2,0,0]=4 2645 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,2|2,0,0]=4 2646 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,2|1,0,0]=3 2647 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,2|1,0,1]=4 2648 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,2|2,0,0]=4 2649 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,2|2,0,0]=4 2650 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,2|1,0,1]=4 2651 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,2|1,0,1]=4 2652 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,2|2,0,0]=4 2653 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,2|2,0,0]=4 2654 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,2|1,0,0]=3 2655 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,2|2,0,0]=4 2656 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,2|2,0,0]=4 2657 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,2|2,0,0]=4 2658 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,2|1,0,0]=3 2659 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,0,0,0,2|2,0,0]=4 2660 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,0,0,0,2|1,0,1]=4 2661 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,0,0,0,2|2,0,0]=4 2662 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,0,0,0,2|1,0,1]=4 2663 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,2|2,0,0]=4 2664 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,2|1,0,0]=3 2665 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,2|2,0,0]=4 2666 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,2|2,0,0]=4 2667 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,2|1,0,1]=4 2668 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,2|1,0,1]=4 2669 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,0,0,0,0,2|2,0,0]=4