0 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,0|0,0,0]=0 11 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,0|0,0,0]=0 14 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,0|0,0,2]=2 21 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,0|0,0,2]=2 22 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,0|1,0,1]=2 30 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,0|1,0,1]=2 31 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,0|0,0,2]=2 33 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,0,0|1,0,3]=4 45 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,0,0|1,0,3]=4 46 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,0,0|1,0,3]=4 47 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,0,0|1,0,3]=4 48 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,0,0|1,0,3]=4 49 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,0,0|1,0,3]=4 50 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,0,0|1,0,1]=2 55 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,0|1,0,2]=3 60 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,0,0|1,0,3]=4 61 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,0,0|1,0,3]=4 62 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,0,0|1,0,1]=2 63 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_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|0,0,3]=4 66 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|0,0,3]=4 67 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|0,0,3]=4 68 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|0,0,2]=3 79 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|1,0,2]=4 86 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|1,0,2]=4 87 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|0,0,2]=3 89 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,2]=4 93 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|0,0,0]=1 104 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|0,0,0]=1 105 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,2]=3 106 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,2]=3 107 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,2]=3 108 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|1,0,2]=4 113 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 120 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,1]=3 140 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,1]=3 141 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|1,0,2]=4 145 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|1,0,2]=4 155 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|1,0,2]=4 156 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|1,0,0]=2 159 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|1,0,0]=2 161 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,2]=4 162 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,1,0,0,0,0|0,0,3]=4 170 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,0,0,0,0|0,0,3]=4 171 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,1,0,0,0,0|0,0,3]=4 176 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|0,0,2]=3 177 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|0,0,2]=3 178 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,0|0,0,3]=4 190 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,0,0,0,0|0,0,3]=4 191 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|0,0,3]=4 194 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|0,0,3]=4 195 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|0,0,0]=1 196 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,1,0,0,0,0|1,0,0]=2 198 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,1,0,0,0,0|0,0,2]=3 199 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|0,0,2]=3 200 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|1,0,1]=3 209 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,0|1,0,1]=3 210 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,0|1,0,1]=3 211 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|0,0,2]=3 212 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|0,0,2]=3 213 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|1,0,1]=3 214 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|1,0,2]=4 216 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|0,0,0]=1 217 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|0,0,0]=1 218 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|0,0,0]=1 219 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|1,0,0]=2 220 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|1,0,0]=2 221 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|1,0,1]=3 223 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|0,0,2]=3 227 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|1,0,1]=3 230 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|1,0,1]=3 231 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|1,0,1]=3 233 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 234 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 235 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 236 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 237 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|0,0,2]=3 238 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|0,0,2]=3 239 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|0,0,2]=3 240 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|1,0,1]=3 241 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|1,0,1]=3 242 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|1,0,1]=3 243 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|1,0,1]=3 244 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|1,0,2]=4 247 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|1,0,1]=3 248 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|0,0,2]=3 257 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|0,0,0]=1 261 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|0,0,0]=1 262 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|0,0,0]=1 263 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|1,0,0]=2 264 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|1,0,0]=2 267 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,1,0,0,0,0|2,0,0]=3 270 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|1,0,1]=3 271 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|0,0,2]=3 274 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|0,0,2]=3 275 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|0,0,2]=3 276 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|0,0,2]=3 277 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|1,0,1]=3 278 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|1,0,1]=3 279 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|1,0,1]=3 282 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|1,0,1]=3 283 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|1,0,1]=3 284 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|1,0,1]=3 287 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|1,0,1]=3 288 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|1,0,1]=3 290 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|1,0,1]=3 291 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|1,0,1]=3 292 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|1,0,1]=3 294 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|1,0,1]=3 295 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|1,0,1]=3 296 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|1,0,1]=3 297 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|1,0,1]=3 298 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|1,0,1]=3 299 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|1,0,1]=3 300 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|1,0,1]=3 301 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,1,0,0,0,0|0,0,2]=3 302 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,0|1,0,1]=3 303 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,0|1,0,1]=3 304 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|1,0,2]=4 305 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,0|1,0,1]=3 306 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,1,0,0,0,0|2,0,0]=3 309 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,0,0|0,0,2]=3 312 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,0|0,0,2]=3 313 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,0,0|1,0,1]=3 315 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,0,0|0,1,1]=3 316 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,0,0|0,1,1]=3 317 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,0|1,0,1]=3 318 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,0|1,0,1]=3 320 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,0|1,0,1]=3 321 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,0,0|0,0,2]=3 323 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,0|0,0,2]=3 324 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,0,0|1,0,1]=3 326 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,0,0|0,1,1]=3 327 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|1,0,1]=3 330 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,0,0,0,0|2,0,0]=3 332 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|1,0,0]=2 337 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|0,0,2]=3 340 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|1,0,1]=3 341 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|1,0,1]=3 345 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|1,0,1]=3 346 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|1,0,1]=3 347 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|1,0,1]=3 348 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|1,0,1]=3 349 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|0,0,2]=3 350 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,0|1,0,2]=4 356 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|0,0,3]=4 361 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|0,0,3]=4 362 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|0,0,2]=3 363 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|0,0,2]=3 364 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|1,0,0]=2 370 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|1,0,1]=3 373 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,0|1,0,2]=4 375 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,0|1,0,2]=4 376 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|2,0,1]=4 377 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,1,0,0|1,0,2]=4 378 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,0,0,1,0,0|2,0,1]=4 379 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,0,0,1,0,0|2,0,1]=4 380 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,0,0,1,0,0|3,0,0]=4 381 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,0,0,1,0,0|3,0,0]=4 382 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,1,0,0|1,0,2]=4 383 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|2,0,1]=4 385 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|0,0,2]=3 386 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|1,0,2]=4 387 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|0,0,2]=3 388 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|1,0,2]=4 389 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,0|0,0,2]=3 390 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,0|0,0,2]=3 391 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,0|1,0,2]=4 392 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,0|1,0,2]=4 393 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,0|1,0,2]=4 394 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,0|1,0,1]=3 395 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,0|1,0,1]=3 396 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,0|1,0,1]=3 397 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,0|0,0,2]=3 398 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,1,0|0,0,1]=2 399 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,1,0|0,0,1]=2 400 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,1,0|0,0,1]=2 401 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,1,0|0,0,1]=2 402 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,1,0|1,0,1]=3 403 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,1,0|2,0,1]=4 404 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,1,0|1,0,0]=2 405 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,1,0|1,0,0]=2 406 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,1,0|1,0,0]=2 407 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,1,0|1,0,0]=2 408 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,1,0|1,0,1]=3 409 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,1,0|1,0,1]=3 410 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,1,0|0,0,1]=2 411 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,1,0|2,0,1]=4 412 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,1,0|2,0,1]=4 413 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,1,0|2,0,1]=4 414 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,1,0|2,0,1]=4 415 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,1,0|1,0,1]=3 416 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,1,0|1,0,1]=3 417 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,1,0|1,0,1]=3 418 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,1,0|2,0,1]=4 419 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,1|0,0,2]=3 420 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,1|0,0,2]=3 421 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,1|0,0,2]=3 422 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,1|2,0,1]=4 423 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,1|2,0,1]=4 424 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,1|0,0,2]=3 425 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,1|0,0,2]=3 426 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,1|0,0,2]=3 427 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,1|0,0,2]=3 428 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,1|1,0,2]=4 429 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,1|1,0,2]=4 430 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,1|1,0,2]=4 431 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,1|1,0,2]=4 432 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,1|1,0,2]=4 433 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,1|1,0,2]=4 434 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,1|0,0,0]=1 435 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,1|2,0,0]=3 436 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,1|2,0,0]=3 437 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,1|0,0,1]=2 438 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,1|0,0,0]=1 439 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,1|0,0,0]=1 440 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,1|2,0,1]=4 441 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,1|0,0,2]=3 442 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,1|0,0,2]=3 443 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,1|1,0,2]=4 444 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,1|1,0,1]=3 445 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,1|1,0,1]=3 446 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,1|1,0,1]=3 447 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,1|2,0,1]=4 448 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,1|1,0,1]=3 449 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,1|0,0,2]=3 450 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,1|0,0,2]=3 451 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,1|1,0,1]=3 452 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,1|0,0,2]=3 453 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,1|2,0,1]=4 454 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,1|2,0,1]=4 455 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,1|2,0,1]=4 456 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,1|1,0,1]=3 457 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,1|0,0,2]=3 458 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,1|0,0,2]=3 459 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,1|0,0,2]=3 460 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,1|0,0,2]=3 461 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,1|1,0,2]=4 462 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,1|1,0,2]=4 463 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,1|1,0,2]=4 464 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,0,1|2,0,0]=3 465 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,1|1,0,1]=3 466 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,1|1,0,1]=3 467 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,1|1,0,1]=3 468 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,1|1,0,1]=3 469 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,1|0,0,1]=2 470 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,1|0,0,2]=3 471 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,1|1,0,2]=4 472 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,1|1,0,2]=4 473 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,1|1,0,2]=4 474 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,1|1,0,2]=4 475 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,1|1,0,2]=4 476 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,1|1,0,2]=4 477 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,1|0,0,2]=3 478 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,1|1,0,2]=4 479 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,1|1,0,2]=4 480 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,1|1,0,2]=4 481 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,1|0,0,2]=3 482 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,1|1,0,2]=4 483 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,1|1,0,2]=4 484 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,1|2,0,1]=4 485 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,1|2,0,1]=4 486 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,1|2,0,1]=4 487 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,1|2,0,1]=4 488 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,1|1,0,1]=3 489 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,1|2,0,1]=4 490 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,1|2,0,1]=4 491 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 492 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 493 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,0]=2 494 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,0]=2 495 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 496 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 497 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 498 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 499 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 500 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 502 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 503 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 504 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 505 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 506 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 507 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 508 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 509 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 510 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 511 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 512 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 514 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 516 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 517 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 518 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 519 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 520 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 521 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 522 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 523 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 524 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 525 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 526 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 527 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 528 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 530 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 531 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 532 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 533 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|0,0,1]=3 534 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|0,0,1]=3 535 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|0,0,2]=4 536 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|0,0,2]=4 537 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|0,0,2]=4 538 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 539 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|0,0,2]=4 540 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|0,0,2]=4 541 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|0,0,2]=4 542 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|0,0,2]=4 543 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,1,0,0,0,0|0,0,2]=4 544 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,1,0,0,0,0|0,0,2]=4 545 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|0,0,0]=2 546 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|0,0,0]=2 547 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|0,0,0]=2 548 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|0,0,0]=2 549 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|0,0,0]=2 550 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,1,0,0,0,0|1,0,0]=3 551 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|2,0,0]=4 563 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|0,0,2]=4 564 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|0,0,2]=4 565 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|0,0,2]=4 566 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,2]=4 567 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|0,0,2]=4 568 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|0,0,2]=4 569 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|0,0,2]=4 570 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|0,0,2]=4 571 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,1,0,0,0,0|1,0,0]=3 588 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,1,0,0,0,0|1,0,0]=3 589 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 613 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 614 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,1,0,0,0,0|2,0,0]=4 615 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,1,0,0,0,0|1,0,0]=3 625 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,1,0,0,0,0|1,0,0]=3 626 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|0,0,0]=2 628 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|0,0,0]=2 629 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|0,0,2]=4 630 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,1,0,0,0,0|0,0,2]=4 633 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|0,0,2]=4 636 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|0,0,2]=4 637 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|1,0,1]=4 638 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,1,0,0,0,0|0,0,2]=4 641 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,1,0,0,0,0|0,0,2]=4 642 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,2]=4 647 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,2]=4 648 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,2]=4 649 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,2]=4 650 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,2]=4 651 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 652 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|1,0,0]=3 656 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,1,0,0,0,0|2,0,0]=4 657 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|1,0,0]=3 658 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 662 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|1,0,1]=4 665 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,0]=2 673 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|1,0,0]=3 674 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|0,0,1]=3 675 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|0,0,1]=3 676 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,2]=4 677 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,2]=4 678 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,2]=4 679 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 680 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 681 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|0,0,2]=4 682 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,2]=4 683 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|0,0,1]=3 684 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|0,0,1]=3 685 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|0,0,1]=3 686 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|0,0,1]=3 687 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|0,0,2]=4 688 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,2]=4 689 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,2]=4 690 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 691 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 692 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,2]=4 693 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,2]=4 694 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 695 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 696 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|0,0,2]=4 704 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|0,0,2]=4 705 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|0,0,2]=4 706 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|0,0,2]=4 707 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|0,0,2]=4 708 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,0]=2 709 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,0]=2 710 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,0]=2 711 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|1,0,0]=3 712 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,0]=3 713 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,2]=4 715 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,2]=4 716 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,0]=2 717 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,0]=2 718 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,2]=4 719 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,2]=4 720 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,2]=4 721 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 722 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 723 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 724 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,2]=4 725 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,1]=4 726 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,2]=4 727 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,2]=4 728 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,2]=4 729 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,2]=4 730 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,2]=4 731 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|0,0,1]=3 732 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|0,0,1]=3 733 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|0,0,1]=3 734 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|0,0,1]=3 735 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,2]=4 736 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,1]=4 737 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|0,0,0]=2 738 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|0,0,0]=2 739 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|0,0,1]=3 740 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|0,0,1]=3 741 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,2]=4 742 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,2]=4 743 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 744 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 745 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,2]=4 746 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|0,0,1]=3 748 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|0,0,1]=3 749 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,2]=4 750 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,2]=4 751 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,2]=4 752 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,2]=4 753 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,2]=4 754 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,1]=4 756 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|0,0,2]=4 757 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,1,0|0,0,1]=3 758 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,1,0|0,0,1]=3 759 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,1,0|0,0,1]=3 760 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,1,0|0,0,1]=3 761 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,1,0|0,0,1]=3 762 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,1,0|0,0,1]=3 763 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,1,0,0,1,0|2,0,0]=4 764 B8R0.9 C#CC(=NNC(=O)C)C 4a_100000189765_100000690481 [0,1,0,0,0,1|1,0,1]=4 765 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,1|0,0,1]=3 766 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,1|0,0,2]=4 767 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,1|0,0,2]=4 768 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,1|0,0,2]=4 769 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,1|0,0,2]=4 770 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,1|0,0,2]=4 771 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,1|0,0,2]=4 772 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,1|0,0,2]=4 773 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,1|0,0,2]=4 774 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,1|0,0,2]=4 775 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,1|0,0,2]=4 776 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,1|0,0,2]=4 777 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,1|0,0,2]=4 778 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,1|0,0,2]=4 779 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,1|0,0,2]=4 780 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,1|0,0,2]=4 781 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,1|0,0,2]=4 782 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,1|0,0,2]=4 783 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,1|0,0,2]=4 784 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,1|0,0,2]=4 785 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,1|0,0,2]=4 786 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,1,0,0,0,1|1,0,1]=4 787 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,1|0,0,1]=3 788 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,1|0,0,0]=2 789 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,1|0,0,0]=2 790 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,1|0,0,2]=4 791 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,1|1,0,1]=4 792 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,1|0,0,2]=4 793 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,1|0,0,2]=4 794 B8R0.9 CC(=O)NN=C(C)CF 4a_100000189765_100000039719 [0,1,0,0,0,1|1,0,0]=3 795 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,1,0,0,0,1|1,0,0]=3 796 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,1,0,0,0,1|2,0,0]=4 797 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,1|1,0,1]=4 798 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,1|1,0,1]=4 799 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,1|0,0,1]=3 800 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,1|0,0,2]=4 801 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,1|0,0,2]=4 802 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,1|0,0,2]=4 803 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,1|0,0,2]=4 804 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,1|1,0,1]=4 805 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,1|0,0,2]=4 806 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,1|0,0,2]=4 807 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,1|0,0,0]=2 808 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,1|0,0,0]=2 809 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,1|0,0,1]=3 810 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,1|0,0,0]=2 811 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,1|0,0,0]=2 812 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,1|0,0,2]=4 813 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,1|0,0,2]=4 814 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,1|1,0,1]=4 815 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,1|1,0,1]=4 816 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,1|1,0,1]=4 817 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,1|0,0,2]=4 818 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,1|0,0,2]=4 819 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,1|1,0,1]=4 820 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,1|0,0,2]=4 821 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,1|0,0,2]=4 822 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,1|0,0,2]=4 823 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,1|1,0,1]=4 824 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,1|1,0,1]=4 825 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,1|0,0,2]=4 826 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,1|0,0,2]=4 827 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,1|0,0,2]=4 828 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,1|0,0,2]=4 829 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,1|2,0,0]=4 830 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,1|2,0,0]=4 831 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,1|1,0,1]=4 832 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,1|0,0,2]=4 833 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,1|0,0,2]=4 834 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,1|0,0,2]=4 835 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,1|0,0,2]=4 836 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,1|0,0,2]=4 837 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,1|0,0,2]=4 838 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,1|1,0,1]=4 839 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,1|0,0,2]=4 840 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,1,0,0,0,1|2,0,0]=4 841 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,1,0,0,0,1|2,0,0]=4 842 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,1|1,0,1]=4 843 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,1|1,0,1]=4 844 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,1|1,0,1]=4 845 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,0,0,0,1|1,0,1]=4 846 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,1|1,0,0]=3 847 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,1|1,0,0]=3 848 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,1|0,0,1]=3 849 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,1|0,0,1]=3 850 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,1|0,0,1]=3 851 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,1|0,0,0]=2 852 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,1|0,0,0]=2 853 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,1|0,0,0]=2 854 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,1|0,0,0]=2 855 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,1|1,0,1]=4 856 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,1|1,0,1]=4 857 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,1|0,0,2]=4 858 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,1|0,0,2]=4 859 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,1|0,0,2]=4 860 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,1|0,0,2]=4 861 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,1|1,0,1]=4 862 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,1|1,0,1]=4 863 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,1|1,0,1]=4 864 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,1|1,0,1]=4 865 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,1|1,0,1]=4 866 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,1|1,0,1]=4 867 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,1|1,0,1]=4 868 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,1|1,0,1]=4 869 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,1|1,0,1]=4 870 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,1|1,0,1]=4 871 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,1|1,0,1]=4 872 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,1|1,0,1]=4 873 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,1|1,0,1]=4 874 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,1|1,0,1]=4 875 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,1|1,0,1]=4 876 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,1|1,0,1]=4 877 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,1|1,0,1]=4 878 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,1|1,0,1]=4 879 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,1|1,0,1]=4 880 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,1|0,0,2]=4 881 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,1|0,0,2]=4 882 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,1|0,0,2]=4 883 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,1|1,0,1]=4 884 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,1|1,0,1]=4 885 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,1|1,0,1]=4 886 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,1|0,0,2]=4 887 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,1|0,0,2]=4 888 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,1|0,0,2]=4 889 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,1|0,0,2]=4 890 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,1|0,0,2]=4 891 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,1|0,0,2]=4 892 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,1|1,0,1]=4 893 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,1|1,0,1]=4 894 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,1|1,0,1]=4 895 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,1|0,0,2]=4 896 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,1|0,0,2]=4 897 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,1|0,0,2]=4 898 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,1|0,0,2]=4 899 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,1|0,0,2]=4 900 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,1|0,0,2]=4 901 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,1|0,0,2]=4 902 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,1|0,0,2]=4 903 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,1|0,0,2]=4 904 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,1|0,0,2]=4 905 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,1|0,0,2]=4 906 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,1|0,0,2]=4 907 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,1,0,0,0,1|2,0,0]=4 908 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,1,0,0,0,1|2,0,0]=4 909 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,1|1,0,1]=4 910 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,1|1,0,1]=4 911 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,1|1,0,1]=4 912 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,1|0,0,2]=4 913 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,1|1,0,1]=4 914 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,1|1,0,1]=4 915 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,1|1,0,1]=4 916 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,1|1,0,1]=4 917 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,1|1,0,1]=4 918 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,1|1,0,1]=4 919 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,1|1,0,1]=4 920 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,1|0,0,2]=4 921 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,1|0,0,2]=4 922 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,1|0,0,2]=4 923 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,1|0,0,2]=4 924 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,1|0,0,2]=4 925 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,1|1,0,1]=4 926 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,1|1,0,1]=4 927 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,1|0,0,2]=4 928 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,1|0,0,2]=4 929 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,1|0,0,2]=4 930 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,1|0,0,2]=4 931 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,1|1,0,1]=4 932 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,1|1,0,1]=4 933 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,1|1,0,1]=4 934 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,1|1,0,1]=4 935 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,1|1,0,1]=4 936 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,1|1,0,1]=4 937 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,0,1|1,0,1]=4 938 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,1|1,0,1]=4 939 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,1|0,0,2]=4 940 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,1|0,0,2]=4 941 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,1|0,0,2]=4 942 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,1|1,0,1]=4 943 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,0,1|1,0,1]=4 944 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,0,1|1,0,1]=4 945 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,0,0,0,1|2,0,0]=4 946 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,0,0,0,1|2,0,0]=4 947 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,0,0,0,1|2,0,0]=4 948 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,1,0,0,0,1|2,0,0]=4 949 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,1,0,0,0,1|2,0,0]=4 950 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,1,0,0,0,1|2,0,0]=4 951 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,1,0,0,0,1|2,0,0]=4 952 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,1,0,0,0,1|2,0,0]=4 953 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,1|1,0,0]=3 954 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,1|0,0,1]=3 955 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,1|0,0,2]=4 956 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,1|1,0,1]=4 957 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,1|0,0,2]=4 958 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,1|0,0,2]=4 959 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,1|0,0,2]=4 960 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,1|0,0,2]=4 961 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,1|1,0,0]=3 962 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,1|0,0,1]=3 963 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,1|1,0,0]=3 964 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,1|1,0,1]=4 965 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,1|1,0,1]=4 966 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,1|0,0,2]=4 967 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,1|1,0,1]=4 968 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,1|0,0,2]=4 969 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,1|0,0,2]=4 970 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,1|0,0,2]=4 971 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,1|0,0,2]=4 972 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,1|0,0,2]=4 973 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,1|0,0,2]=4 974 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,1|0,0,2]=4 975 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,1|0,0,2]=4 976 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,1|1,0,1]=4 977 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,1|1,0,1]=4 978 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,1|1,0,1]=4 979 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,1|1,0,1]=4 980 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,1|1,0,1]=4 981 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,1|1,0,1]=4 982 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,1|0,0,2]=4 983 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,1|1,0,1]=4 984 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,1|1,0,1]=4 985 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,1|1,0,1]=4 986 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,1|0,0,2]=4 987 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,1|0,0,2]=4 988 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,1|1,0,1]=4 989 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,1|0,0,1]=3 990 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,1|1,0,1]=4 991 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,1|1,0,1]=4 992 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 993 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,1|2,0,0]=4 994 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,0,0,0,1|0,0,2]=4 995 B8R0.29 CC(=O)C#C[Si](C)(C)C 1458a_100000039808_200000210301 [0,1,0,0,0,1|0,1,1]=4 996 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,1|0,0,2]=4 997 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,1|0,0,2]=4 998 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,0,1|1,0,1]=4 999 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,0,1|0,1,1]=4 1000 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,0,1|0,1,1]=4 1001 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,1|0,0,2]=4 1002 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,1|0,0,2]=4 1003 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,0,1|0,0,2]=4 1004 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,0,1|0,0,2]=4 1005 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,0,1|0,0,2]=4 1006 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,0,1|0,0,2]=4 1007 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,0,1|0,0,2]=4 1008 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,0,1|0,0,2]=4 1009 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,0,1|0,0,2]=4 1010 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,0,1|0,0,2]=4 1011 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,0,1|0,0,2]=4 1012 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,0,1|0,0,2]=4 1013 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,0,1|0,0,2]=4 1014 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,0,0,0,1|0,1,1]=4 1015 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,0,0,0,1|0,1,1]=4 1016 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,0,0,0,1|0,1,1]=4 1017 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,0,0,0,1|0,1,1]=4 1018 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,0,0,0,1|1,0,1]=4 1019 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,0,0,0,1|0,0,2]=4 1020 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,1|0,0,2]=4 1021 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,1|0,0,2]=4 1022 B8R0.29 C[Si](C)(C)C#CC(=O)[13CH3] 1458a_100000039808_200025704644 [0,1,0,0,0,1|0,1,1]=4 1023 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,0,1|0,1,1]=4 1024 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,2,0,0,0,0|0,0,2]=4 1034 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,2,0,0,0,0|0,0,2]=4 1037 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,2,0,0,0,0|1,0,0]=3 1038 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,2,0,0,0,0|1,0,1]=4 1042 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,2,0,0,0,0|1,0,1]=4 1043 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|0,0,2]=4 1049 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.2 CN(C)C(=O)C(=O)CF 1458a_100011218876_100015361967 [0,2,0,0,0,0|1,0,0]=3 1059 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 11a_106832991635_100000031907 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 1626a_100102657272_100000031907 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 240690a_100102657272_100000031907 [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|0,0,1]=3 1063 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102631434_100011218921 [0,2,0,0,0,0|1,0,0]=3 1064 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102657272_100011218876 [0,2,0,0,0,0|1,0,0]=3 1065 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102631434_100011218921 [0,2,0,0,0,0|1,0,0]=3 1066 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102657272_100011218876 [0,2,0,0,0,0|1,0,0]=3 1067 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102631434_100011218921 [0,2,0,0,0,0|1,0,0]=3 1068 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102657272_100011218876 [0,2,0,0,0,0|1,0,0]=3 1069 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|1,0,1]=4 1070 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,2,0,0,0,0|0,0,2]=4 1071 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,2,0,0,0,0|0,0,2]=4 1072 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,2,0,0,0,0|0,0,2]=4 1073 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,2,0,0,0,0|0,0,2]=4 1074 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,2,0,0,0,0|1,0,1]=4 1075 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,2,0,0,0,0|1,0,1]=4 1076 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,2,0,0,0,0|1,0,1]=4 1077 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [0,2,0,0,0,0|1,0,1]=4 1078 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,2,0,0,0,0|0,0,2]=4 1084 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,2,0,0,0,0|1,0,0]=3 1086 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,2,0,0,0,0|1,0,0]=3 1087 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,2,0,0,0,0|1,0,0]=3 1088 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|1,0,1]=4 1089 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1090 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1091 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,2,0,0,0,0|1,0,1]=4 1092 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,2,0,0,0,0|1,0,1]=4 1093 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,2,0,0,0,0|1,0,1]=4 1098 B8R0.5 C#CCC(=O)C=C(C)C 1458a_100000211388_100000184674 [0,2,0,0,0,0|0,0,0]=2 1099 B8R0.5 C#CCC(=O)C=C(C)Cl 1458a_200042562850_100000184674 [0,2,0,0,0,0|1,0,0]=3 1100 B8R0.5 C#CCC(=O)C=C(C)I 1458a_100025716642_100000184674 [0,2,0,0,0,0|1,0,0]=3 1101 B8R0.5 C#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000184674 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.5 C#CCC(=O)CC(=C)C 1458a_100011220946_100000748629 [0,2,0,0,0,0|0,0,2]=4 1103 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,2,0,0,0,0|0,0,2]=4 1104 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,2,0,0,0,0|0,0,2]=4 1105 B8R0.5 C#CCC(=O)CN(C)C 1458a_100000750896_100000184674 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.5 C#CCC(=O)C[S+](C)C 1458a_200159257847_100000184674 [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,2,0,0,0,0|0,0,2]=4 1110 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|0,0,2]=4 1111 B8R0.5 C=C(C)CC(=O)CC#N 1458a_100051588842_100000748629 [0,2,0,0,0,0|0,0,2]=4 1112 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|0,0,2]=4 1113 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|0,0,2]=4 1114 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|0,0,2]=4 1115 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|0,0,2]=4 1116 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|0,0,2]=4 1117 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|0,0,2]=4 1118 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,2,0,0,0,0|0,0,0]=2 1119 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,2,0,0,0,0|1,0,0]=3 1120 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,2,0,0,0,0|1,0,0]=3 1121 B8R0.5 C=CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210623 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,2,0,0,0,0|0,0,2]=4 1123 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|0,0,2]=4 1124 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|0,0,2]=4 1125 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1129 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,2,0,0,0,0|0,0,2]=4 1132 B8R0.5 CC(=CC(=O)CC#N)C 1458a_100000211388_100011214920 [0,2,0,0,0,0|0,0,0]=2 1133 B8R0.5 CC(=CC(=O)CC#N)Cl 1458a_200042562850_100011214920 [0,2,0,0,0,0|1,0,0]=3 1134 B8R0.5 CC(=CC(=O)CC#N)I 1458a_100025716642_100011214920 [0,2,0,0,0,0|1,0,0]=3 1135 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,2,0,0,0,0|0,0,0]=2 1136 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,2,0,0,0,0|1,0,0]=3 1137 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,2,0,0,0,0|1,0,0]=3 1138 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|0,0,0]=2 1139 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,2,0,0,0,0|1,0,0]=3 1140 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,2,0,0,0,0|1,0,0]=3 1141 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [0,2,0,0,0,0|0,0,2]=4 1142 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|1,0,1]=4 1143 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|2,0,0]=4 1144 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,2,0,0,0,0|1,0,1]=4 1145 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,2,0,0,0,0|1,0,1]=4 1146 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,2,0,0,0,0|1,0,1]=4 1147 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,2,0,0,0,0|1,0,1]=4 1148 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|1,0,1]=4 1150 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,2,0,0,0,0|1,0,1]=4 1151 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,2,0,0,0,0|1,0,1]=4 1152 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,2,0,0,0,0|0,0,2]=4 1153 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,2,0,0,0,0|0,0,2]=4 1154 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|0,0,2]=4 1155 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|0,0,2]=4 1156 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|0,0,2]=4 1157 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,2,0,0,0,0|1,0,1]=4 1159 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|1,0,1]=4 1160 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,2,0,0,0,0|1,0,1]=4 1162 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,2,0,0,0,0|1,0,1]=4 1163 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|1,0,1]=4 1164 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|1,0,1]=4 1165 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|0,0,2]=4 1166 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|1,0,1]=4 1167 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|1,0,1]=4 1168 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|1,0,1]=4 1169 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|0,0,0]=2 1170 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|0,0,0]=2 1171 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|0,0,0]=2 1172 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|1,0,0]=3 1173 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|1,0,0]=3 1174 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,2,0,0,0,0|2,0,0]=4 1175 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|1,0,1]=4 1176 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|0,0,2]=4 1177 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|0,0,2]=4 1178 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|1,0,1]=4 1179 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|1,0,1]=4 1180 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|1,0,1]=4 1183 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|1,0,1]=4 1184 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|0,0,2]=4 1187 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|0,0,2]=4 1188 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|0,0,2]=4 1189 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|1,0,1]=4 1191 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|1,0,1]=4 1192 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|1,0,1]=4 1193 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|0,0,0]=2 1194 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|0,0,0]=2 1195 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|1,0,0]=3 1196 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|1,0,0]=3 1197 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|1,0,0]=3 1198 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|1,0,1]=4 1200 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 1201 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 1202 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 1203 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,2,0,0,0,0|1,0,1]=4 1208 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,2,0,0,0,0|1,0,1]=4 1209 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1211 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 1213 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,2,0,0,0,0|1,0,1]=4 1217 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,2,0,0,0,0|1,0,1]=4 1220 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|1,0,1]=4 1221 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|1,0,1]=4 1222 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|1,0,1]=4 1223 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,2,0,0,0,0|0,0,2]=4 1228 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|0,0,2]=4 1229 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|0,0,2]=4 1230 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.5 CN(C)CC(=O)CC#N 1458a_100000750896_100011214920 [0,2,0,0,0,0|1,0,1]=4 1233 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,2,0,0,0,0|1,0,1]=4 1234 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,2,0,0,0,0|1,0,1]=4 1236 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,2,0,0,0,0|1,0,1]=4 1237 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|2,0,0]=4 1238 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,2,0,0,0,0|1,0,1]=4 1239 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,2,0,0,0,0|1,0,1]=4 1241 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,2,0,0,0,0|1,0,1]=4 1242 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|1,0,1]=4 1243 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|1,0,1]=4 1244 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|1,0,1]=4 1245 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,2,0,0,0,0|0,0,0]=2 1246 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,2,0,0,0,0|1,0,0]=3 1247 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,2,0,0,0,0|0,0,2]=4 1248 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,2,0,0,0,0|1,0,1]=4 1249 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,2,0,0,0,0|1,0,1]=4 1250 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,2,0,0,0,0|1,0,1]=4 1251 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,2,0,0,0,0|1,0,1]=4 1252 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,2,0,0,0,0|1,0,1]=4 1253 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|0,0,2]=4 1254 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1255 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1256 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1257 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,2,0,0,0,0|1,0,1]=4 1258 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1259 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|1,0,1]=4 1260 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,2,0,0,0,0|1,0,1]=4 1261 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,2,0,0,0,0|1,0,1]=4 1262 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,2,0,0,0,0|1,0,1]=4 1264 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|0,0,2]=4 1265 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1267 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1268 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,2,0,0,0,0|1,0,1]=4 1271 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,2,0,0,0,0|1,0,1]=4 1272 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|1,0,1]=4 1273 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.5 C[S+](C)CC(=O)CC#N 1458a_200159257847_100011214920 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,2,0,0,0,0|1,0,1]=4 1276 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,2,0,0,0,0|1,0,1]=4 1277 B8R0.5 N#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100011214920 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,2,0,0,0,0|1,0,1]=4 1281 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,2,0,0,0,0|1,0,1]=4 1282 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|0,0,2]=4 1283 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,2,0,0,0,0|1,0,1]=4 1284 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,2,0,0,0,0|1,0,1]=4 1285 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,2,0,0,0,0|1,0,1]=4 1286 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,2,0,0,0,0|1,0,1]=4 1288 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,2,0,0,0,0|1,0,1]=4 1291 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,2,0,0,0,0|0,0,2]=4 1292 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,2,0,0,0,0|0,0,2]=4 1293 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,2,0,0,0,0|0,0,2]=4 1294 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,2,0,0,0,0|0,0,0]=2 1295 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,2,0,0,0,0|0,0,0]=2 1296 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,2,0,0,0,0|0,0,0]=2 1297 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,2,0,0,0,0|0,0,0]=2 1298 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|0,0,0]=2 1299 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|1,0,1]=4 1300 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|1,0,1]=4 1302 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|1,0,1]=4 1303 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|0,0,2]=4 1305 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|0,0,2]=4 1306 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|0,0,2]=4 1309 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|0,0,2]=4 1310 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|1,0,1]=4 1312 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|1,0,1]=4 1313 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|1,0,1]=4 1314 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1315 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1316 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1318 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 1319 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 1320 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|0,0,2]=4 1321 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|0,0,2]=4 1322 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|0,0,2]=4 1323 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|0,0,2]=4 1324 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|0,0,2]=4 1325 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|0,0,2]=4 1326 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|1,0,1]=4 1327 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|1,0,1]=4 1328 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,2,0,0,0,0|1,0,1]=4 1330 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,2,0,0,0,0|1,0,1]=4 1331 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,2,0,0,0,0|1,0,1]=4 1333 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,2,0,0,0,0|1,0,1]=4 1334 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,2,0,0,0,0|1,0,1]=4 1335 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,2,0,0,0,0|1,0,1]=4 1337 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,2,0,0,0,0|1,0,1]=4 1338 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,2,0,0,0,0|1,0,1]=4 1339 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,2,0,0,0,0|1,0,1]=4 1340 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|1,0,1]=4 1342 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|1,0,1]=4 1343 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|0,0,2]=4 1344 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|1,0,1]=4 1346 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,2,0,0,0,0|1,0,1]=4 1347 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,2,0,0,0,0|1,0,1]=4 1349 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,2,0,0,0,0|1,0,1]=4 1350 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,2,0,0,0,0|1,0,1]=4 1351 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,2,0,0,0,0|1,0,1]=4 1353 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,2,0,0,0,0|1,0,1]=4 1354 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,2,0,0,0,0|1,0,1]=4 1355 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|0,0,2]=4 1356 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|0,0,2]=4 1357 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|0,0,2]=4 1358 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|1,0,1]=4 1359 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|1,0,1]=4 1360 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|0,0,2]=4 1361 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|0,0,2]=4 1362 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|0,0,2]=4 1363 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|0,0,2]=4 1364 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|0,0,2]=4 1365 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|0,0,2]=4 1366 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|1,0,1]=4 1367 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|1,0,1]=4 1368 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|1,0,1]=4 1369 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|1,0,1]=4 1370 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,2,0,0,0,0|0,0,2]=4 1371 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,2,0,0,0,0|1,0,1]=4 1372 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,2,0,0,0,0|1,0,1]=4 1373 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,2,0,0,0,0|0,0,2]=4 1374 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|0,0,2]=4 1375 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|0,0,2]=4 1376 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,2,0,0,0,0|0,1,1]=4 1378 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,2,0,0,0,0|0,1,1]=4 1379 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1381 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1382 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1383 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,2,0,0,0,0|0,0,2]=4 1384 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,2,0,0,0,0|0,0,2]=4 1385 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,2,0,0,0,0|0,0,2]=4 1386 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,2,0,0,0,0|0,0,2]=4 1387 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,2,0,0,0,0|0,0,2]=4 1388 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,2,0,0,0,0|1,0,1]=4 1390 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,2,0,0,0,0|1,0,1]=4 1391 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,2,0,0,0,0|0,1,1]=4 1393 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,2,0,0,0,0|0,1,1]=4 1394 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,2,0,0,0,0|1,0,1]=4 1396 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,2,0,0,0,0|1,0,1]=4 1397 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,2,0,0,0,0|1,0,1]=4 1398 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [0,2,0,0,0,0|0,1,1]=4 1400 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [0,2,0,0,0,0|0,1,1]=4 1401 B8R0.34 C#CC(C)(C)NC(=O)C 11a_100000054563_100015343762 [0,2,0,0,0,0|1,0,1]=4 1402 B8R0.34 C#CC(C)(C)NC(=O)C 1626a_100000054563_100015343762 [0,2,0,0,0,0|1,0,1]=4 1403 B8R0.34 C#CC(C)(C)NC(=O)C 240690a_100000054563_100015343762 [0,2,0,0,0,0|1,0,1]=4 1404 B8R0.34 C=C[Si](C)(C)CC(=O)C 1458a_100000070787_100000038793 [0,2,0,0,0,0|0,1,1]=4 1405 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,2,0,0,0,0|0,0,2]=4 1406 B8R0.34 CC(=O)NC(C)(C)C#N 11a_100000761509_100015343762 [0,2,0,0,0,0|1,0,1]=4 1407 B8R0.34 CC(=O)NC(C)(C)C#N 1626a_100000761509_100015343762 [0,2,0,0,0,0|1,0,1]=4 1408 B8R0.34 CC(=O)NC(C)(C)C#N 527a_100000761509_100103153847 [0,2,0,0,0,0|1,0,1]=4 1409 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,2,0,0,0,0|1,0,1]=4 1410 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|0,0,2]=4 1412 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|0,0,2]=4 1413 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,2,0,0,0,0|1,0,1]=4 1414 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,2,0,0,0,0|1,0,1]=4 1416 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|0,0,2]=4 1418 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|0,0,2]=4 1419 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,2,0,0,0,0|0,0,2]=4 1420 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,2,0,0,0,0|1,0,1]=4 1421 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,2,0,0,0,0|1,0,1]=4 1422 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,2,0,0,0,0|0,0,2]=4 1424 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,2,0,0,0,0|0,0,2]=4 1425 B8R0.18 CC(=C(C#N)C(=O)[13CH3])C 1458a_100000137542_200025704644 [0,2,0,0,0,0|0,0,0]=2 1426 B8R0.18 CC(=O)C(=C(C)C)C#N 1458a_100000137542_200000210301 [0,2,0,0,0,0|0,0,0]=2 1427 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,2,0,0,0,0|1,0,1]=4 1428 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,2,0,0,0,0|1,0,1]=4 1429 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,2,0,0,0,0|1,0,1]=4 1430 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,2,0,0,0,0|1,0,1]=4 1431 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|1,0,1]=4 1433 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,2,0,0,0,0|1,0,1]=4 1438 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,2,0,0,0,0|1,0,1]=4 1439 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,2,0,0,0,0|1,0,1]=4 1440 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,2]=4 1441 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 1442 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,2]=4 1443 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 1444 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,1|2,0,0]=4 1445 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,1|2,0,0]=4 1446 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,1|2,0,0]=4 1447 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,1|2,0,0]=4 1448 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,1|2,0,0]=4 1449 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,1|2,0,0]=4 1450 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,1|0,0,2]=4 1451 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,1|0,0,2]=4 1452 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,1|0,0,2]=4 1453 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,1|1,0,1]=4 1454 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,1|0,0,2]=4 1455 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,1|0,0,2]=4 1456 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,1|0,0,2]=4 1457 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,1|1,0,1]=4 1458 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,1|0,0,2]=4 1459 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,0,1|1,0,1]=4 1460 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,1|1,0,1]=4 1461 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,1|1,0,1]=4 1462 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,1|0,0,1]=3 1463 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,1|0,0,2]=4 1464 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,1|0,0,2]=4 1465 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,1|0,0,2]=4 1466 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,1|0,0,2]=4 1467 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,1|0,0,2]=4 1468 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,1|0,0,2]=4 1469 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,1|0,0,2]=4 1470 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,1|1,0,1]=4 1471 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,1|0,0,1]=3 1472 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,1|0,0,2]=4 1473 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,1|0,0,2]=4 1474 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,1|0,0,2]=4 1475 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|0,0,2]=4 1476 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,1,0,1,0,0|2,0,0]=4 1477 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,1,0,1,0,0|2,0,0]=4 1478 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,1,0,0|0,1,1]=4 1479 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,1,0,0|0,1,1]=4 1480 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,1,0,1,0,0|1,1,0]=4 1481 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,1,0,1,0,0|1,1,0]=4 1482 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,1,0,1,0,0|1,0,1]=4 1483 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,1,0,1,0,0|1,0,1]=4 1484 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,1,0,0|0,1,1]=4 1485 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,1,0,0|0,1,1]=4 1486 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,1,0,0|0,1,1]=4 1487 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,1,0,0|0,1,1]=4 1488 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,1,0,1,0,0|2,0,0]=4 1489 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,1,0,1,0,0|2,0,0]=4 1490 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,1,0,1,0,0|1,0,1]=4 1491 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,1,0,1,0,0|1,0,1]=4 1492 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,1,0,1,0,0|1,1,0]=4 1493 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,1,0,1,0,0|1,1,0]=4 1494 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,1,0,0|0,1,1]=4 1495 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,1,0,0|0,1,1]=4 1496 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|0,0,2]=4 1497 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|1,0,1]=4 1498 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|1,0,1]=4 1499 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|1,0,1]=4 1500 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|1,0,1]=4 1501 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,1,0,0|1,0,1]=4 1502 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,1,0,0|0,1,1]=4 1503 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,1,0,0|1,0,1]=4 1504 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,1,0,0|1,0,1]=4 1505 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,1,0,0|1,0,1]=4 1506 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|1,0,1]=4 1507 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|1,0,1]=4 1508 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|1,0,1]=4 1509 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|1,0,1]=4 1510 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|1,0,1]=4 1511 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,1,0,1,0,0|0,0,0]=2 1512 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|0,0,2]=4 1513 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|0,0,2]=4 1514 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|0,0,2]=4 1515 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|0,0,2]=4 1516 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|0,0,2]=4 1517 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,1,0,0|1,0,1]=4 1518 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,1,0,0|1,0,1]=4 1519 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,1,0,0|1,0,1]=4 1520 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,1,0,0|1,0,1]=4 1521 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,1,0,1,0,0|1,0,1]=4 1522 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,1,0,1,0,0|1,0,1]=4 1523 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,1,0,1,0,0|1,0,1]=4 1524 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,1,0,1,0,0|1,0,1]=4 1525 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,1,0,1,0,0|1,0,1]=4 1526 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,1,0,1,0,0|1,0,1]=4 1527 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,1,0,1,0,0|1,0,1]=4 1528 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,1,0,1,0,0|1,0,1]=4 1529 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,1,0,1,0,0|0,0,0]=2 1530 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|0,0,2]=4 1531 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|0,0,2]=4 1532 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|0,0,2]=4 1533 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|0,0,2]=4 1534 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|1,0,1]=4 1535 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|1,0,1]=4 1536 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|1,0,1]=4 1537 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|0,0,2]=4 1538 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|0,0,2]=4 1539 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|0,0,2]=4 1540 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|0,0,2]=4 1541 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,1,0,1,0,0|1,0,1]=4 1542 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,1,0,1,0,0|1,0,1]=4 1543 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,1,0,1,0,0|1,0,1]=4 1544 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,1,0,1,0,0|1,0,1]=4 1545 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,1,0,1,0,0|1,0,1]=4 1546 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|0,0,2]=4 1547 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|0,0,2]=4 1548 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|1,0,1]=4 1549 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|1,0,1]=4 1550 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|0,0,2]=4 1551 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,1,0,1,0,0|0,0,2]=4 1552 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,1,0,1,0,0|1,0,1]=4 1553 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,1,0,1,0,0|1,0,1]=4 1554 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,1,0,1,0,0|1,0,1]=4 1555 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,1,0,1,0,0|1,0,1]=4 1556 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|0,0,2]=4 1557 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|0,0,2]=4 1558 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|0,0,2]=4 1559 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|0,0,2]=4 1560 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|0,0,2]=4 1561 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|0,0,2]=4 1562 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|0,0,2]=4 1563 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|0,0,2]=4 1564 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|1,0,1]=4 1565 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|1,0,1]=4 1566 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,1,0,1,0,0|2,0,0]=4 1567 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,1,0,1,0,0|2,0,0]=4 1568 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,1,0,0|1,0,1]=4 1569 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|1,0,1]=4 1570 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|1,0,1]=4 1571 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|1,0,1]=4 1572 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|1,0,1]=4 1573 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,0,0,0,2|0,0,1]=3 1574 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,0,0,0,2|1,0,1]=4 1575 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,2|0,0,2]=4 1576 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,2|0,0,2]=4 1577 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,2|2,0,0]=4 1578 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,2|2,0,0]=4 1579 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,2|1,0,1]=4 1580 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,2|1,0,1]=4 1581 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,2|1,0,1]=4 1582 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,2|1,0,1]=4 1583 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,2|1,0,1]=4 1584 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,2|1,0,1]=4 1585 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,2|1,0,1]=4 1586 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,2|0,0,1]=3 1587 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,2|1,0,0]=3 1588 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,2|0,0,0]=2 1589 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,2|2,0,0]=4 1590 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,2|1,0,1]=4 1591 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,2|0,0,2]=4 1592 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,2|0,0,2]=4 1593 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,2|1,0,1]=4 1594 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,2|1,0,1]=4 1595 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,2|1,0,1]=4 1596 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,2|1,0,1]=4 1597 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,2|1,0,1]=4 1598 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,2|0,0,2]=4 1599 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,2|0,0,2]=4 1600 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,2|0,0,2]=4 1601 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,2|1,0,1]=4 1602 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,2|0,0,2]=4 1603 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,2|0,0,2]=4 1604 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,2|0,0,2]=4 1605 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,2|0,0,2]=4 1606 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,2|0,0,2]=4 1607 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,2|0,0,0]=2 1608 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,2|0,0,0]=2 1609 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,2|0,0,0]=2 1610 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,2|1,0,1]=4 1611 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,2|0,0,2]=4 1612 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,2|0,0,2]=4 1613 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,2|0,0,2]=4 1614 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,2|0,0,2]=4 1615 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,2|1,0,1]=4 1616 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,2|1,0,1]=4 1617 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,2|1,0,1]=4 1618 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,2|1,0,1]=4 1619 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,2|0,0,1]=3 1620 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,2|0,0,2]=4 1621 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,2|1,0,1]=4 1622 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,2|0,0,2]=4 1623 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,2|0,0,2]=4 1624 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,2|0,0,2]=4 1625 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,2|0,0,2]=4 1626 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,2|1,0,1]=4 1627 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,2|0,0,1]=3 1628 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,2|0,0,2]=4 1629 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,2|0,0,2]=4 1630 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,2|1,0,0]=3