0 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,0,0|1,0,3]=4 34 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|0,0,3]=4 98 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|0,0,3]=4 99 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.2 C#CC(=O)CC(=C)F 1458a_100000211873_100009893438 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|1,0,1]=3 156 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|1,0,2]=4 165 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|1,0,2]=4 166 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|1,0,2]=4 169 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,0,0,0,0|0,0,2]=3 171 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,0,0,0,0|0,0,2]=3 172 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|1,0,1]=3 180 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,2]=4 200 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|1,0,1]=3 213 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|1,0,1]=3 214 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,0,0,0,0|0,0,2]=3 254 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,0,0,0,0|0,0,2]=3 255 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,0|2,0,1]=4 257 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,0,0|1,1,1]=4 266 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,0,0|1,1,1]=4 267 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,0|1,0,2]=4 269 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,0|1,0,2]=4 270 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,0,0|1,0,2]=4 273 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,0,0|1,1,1]=4 277 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|2,0,0]=3 282 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|1,0,2]=4 296 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|2,0,1]=4 298 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,1,0,0|2,1,0]=4 300 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,1,0,0|0,1,2]=4 301 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,0,0,1,0,0|1,1,1]=4 302 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,0,0,1,0,0|2,1,0]=4 306 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,0,0,1,0,0|2,1,0]=4 307 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,2]=4 310 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,0|1,0,2]=4 314 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,0|1,0,2]=4 315 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,0|1,0,2]=4 319 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,0|1,0,2]=4 320 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,0|1,0,2]=4 321 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,0|1,0,2]=4 322 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,1,0|0,0,0]=1 323 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,1,0|0,0,0]=1 324 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,1,0|0,0,2]=3 325 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,1,0|0,0,2]=3 326 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,1,0|1,0,1]=3 327 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,1,0|2,0,1]=4 328 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,1,0|1,0,1]=3 329 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,1,0|1,0,1]=3 330 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,1,0|1,0,1]=3 331 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,1,0|1,0,1]=3 332 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,1,0|1,0,1]=3 333 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,1,0|1,0,1]=3 334 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,1,0|0,0,2]=3 335 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,1,0|1,0,1]=3 336 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,1,0|1,0,1]=3 337 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,1,0|1,0,1]=3 338 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,1,0|2,0,1]=4 339 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,1|1,0,0]=2 340 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,1|1,0,0]=2 341 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,1|1,0,0]=2 342 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,1|3,0,0]=4 343 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,1|3,0,0]=4 344 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,1|1,0,0]=2 345 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,1|1,0,0]=2 346 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,1|1,0,0]=2 347 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,1|1,0,0]=2 348 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,1|2,0,1]=4 349 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,1|2,0,1]=4 350 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,1|1,0,1]=3 351 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,1|1,0,1]=3 352 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,1|1,1,1]=4 353 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,1|1,1,1]=4 354 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,1|2,0,1]=4 355 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,1|2,0,1]=4 356 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,1|1,0,1]=3 357 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,1|1,0,2]=4 358 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,1|1,0,1]=3 359 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,1|1,0,1]=3 360 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,1|3,0,0]=4 361 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,1|1,0,2]=4 362 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,1|1,0,2]=4 363 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,1|2,0,1]=4 364 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,1|2,0,1]=4 365 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,1|2,0,1]=4 366 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,1|2,0,0]=3 367 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,1|3,0,0]=4 368 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,1|1,0,0]=2 369 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,1|0,0,2]=3 370 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,1|0,0,2]=3 371 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,0,0,0,1|2,0,1]=4 372 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,1|1,1,0]=3 373 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,1|0,1,2]=4 374 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,1|3,0,0]=4 375 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,1|3,0,0]=4 376 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,1|3,0,0]=4 377 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,1|2,0,0]=3 378 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,1|1,0,2]=4 379 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,1|1,0,2]=4 380 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,1|1,0,2]=4 381 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,1|1,0,2]=4 382 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,1|2,0,1]=4 383 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,1|2,0,1]=4 384 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,1|2,0,1]=4 385 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,0,1|2,0,0]=3 386 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,1|1,0,2]=4 387 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,1|1,0,0]=2 388 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,1|1,0,1]=3 389 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,1|1,1,0]=3 390 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,1|1,0,2]=4 391 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,1|1,0,2]=4 392 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,1|1,0,2]=4 393 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,1|0,0,2]=3 394 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,1|1,0,2]=4 395 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,1|0,1,2]=4 396 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,1|2,0,1]=4 397 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,1|3,0,0]=4 398 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,1|3,0,0]=4 399 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,0,0,0,1|2,0,1]=4 400 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 401 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 402 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,0]=2 403 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,0]=2 404 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 405 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 406 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|0,0,2]=4 407 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 408 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 409 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 410 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 413 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 414 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|0,0,2]=4 415 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|0,0,2]=4 416 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 417 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|2,0,0]=4 421 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|2,0,0]=4 422 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 424 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 425 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 427 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 428 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 429 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|0,0,2]=4 430 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|2,0,0]=4 436 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|2,0,0]=4 437 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|2,0,0]=4 438 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,1,0,0,0,0|0,0,2]=4 440 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|1,0,0]=3 442 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,1,0,0,0,0|1,0,0]=3 444 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|1,0,0]=3 455 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|1,0,0]=3 456 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|2,0,0]=4 464 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,1]=4 471 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 492 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,1,0,0,0,0|2,0,0]=4 493 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,1,0,0,0,0|2,0,0]=4 494 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|2,0,0]=4 495 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|2,0,0]=4 496 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 497 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 506 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|2,0,0]=4 508 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 512 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|2,0,0]=4 513 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 514 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|2,0,0]=4 515 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|2,0,0]=4 516 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,1,0,0,0,0|2,0,0]=4 519 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|2,0,0]=4 524 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|2,0,0]=4 528 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [1,1,0,0,0,0|2,0,0]=4 531 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|1,0,0]=3 532 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|1,0,0]=3 533 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|1,0,0]=3 538 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|2,0,0]=4 540 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|2,0,0]=4 542 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,1]=4 547 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|2,0,0]=4 552 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|2,0,0]=4 553 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|2,0,0]=4 554 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|2,0,0]=4 555 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|2,0,0]=4 556 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|0,0,1]=3 575 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|0,0,1]=3 576 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|0,1,1]=4 578 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|0,1,1]=4 579 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|1,0,0]=3 588 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|1,0,0]=3 589 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|0,0,1]=3 609 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|0,0,1]=3 610 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|0,0,2]=4 611 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,0]=3 612 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,0]=3 613 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,0]=3 614 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,0]=3 615 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,0]=3 618 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,1]=3 629 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,1]=3 631 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,1,1]=4 633 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,1,1]=4 634 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|0,0,1]=3 636 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,0]=3 638 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|0,0,1]=3 645 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|0,0,1]=3 651 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|0,0,1]=3 652 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|2,0,0]=4 654 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,1,0|0,0,2]=4 655 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,1,0|0,0,2]=4 656 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,1,0|0,0,2]=4 657 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,1,0|0,0,2]=4 658 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,1,0|0,0,2]=4 659 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,1,0|0,0,2]=4 660 B8R0.9 C#CC(=NNC(=O)C)C 4a_100000189765_100000690481 [0,1,0,0,0,1|1,0,1]=4 661 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,1|1,0,1]=4 662 B8R0.9 C#CC(C)OCC(=C)C 34a_100000210245_200000035995 [0,1,0,0,0,1|1,0,1]=4 663 B8R0.9 C#CC(C)OCC(=O)C 34a_100000211253_200000035995 [0,1,0,0,0,1|0,0,2]=4 664 B8R0.9 C#C[C@@H](C)OCC(=C)C 34a_100009815206_100000748629 [0,1,0,0,0,1|1,0,1]=4 665 B8R0.9 C#C[C@@H](C)OCC(=C)C 7a_100009815206_100000748629 [0,1,0,0,0,1|1,0,1]=4 666 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,1|1,0,0]=3 667 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,1|1,0,0]=3 668 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,1|1,0,0]=3 669 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,1|1,0,0]=3 670 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,1|1,0,0]=3 671 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,1|1,0,0]=3 672 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,1|1,0,0]=3 673 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,1|1,0,0]=3 674 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,1|1,0,0]=3 675 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,1|1,0,0]=3 676 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,1|1,0,0]=3 677 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,1|1,0,0]=3 678 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,1|1,0,0]=3 679 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,1|1,0,0]=3 680 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,1|1,0,0]=3 681 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,1|1,0,0]=3 682 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,1|1,0,0]=3 683 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,1|1,0,0]=3 684 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,1|1,0,0]=3 685 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,1|1,0,0]=3 686 B8R0.9 C=C(C)COC(C)C#N 34a_100011218135_100000748629 [0,1,0,0,0,1|1,0,1]=4 687 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,0,0,0,1|1,0,1]=4 688 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,0,0,0,1|1,0,1]=4 689 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,1,0,0,0,1|1,0,1]=4 690 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,1,0,0,0,1|1,0,1]=4 691 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,1,0,0,0,1|1,0,1]=4 692 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,1|0,0,2]=4 693 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,1,0,0,0,1|1,0,0]=3 694 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,1|1,0,1]=4 695 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,1,0,0,0,1|1,0,1]=4 696 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,1,0,0,0,1|1,0,1]=4 697 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,1,0,0,0,1|2,0,0]=4 698 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,1,0,0,0,1|2,0,0]=4 699 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,1,0,0,0,1|2,0,0]=4 700 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [0,1,0,0,0,1|1,0,1]=4 701 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,1,0,0,0,1|1,0,1]=4 702 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,1,0,0,0,1|1,0,1]=4 703 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,1|1,0,1]=4 704 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,1|1,0,1]=4 705 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,1|0,0,2]=4 706 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,1|2,0,0]=4 707 B8R0.9 CC(=O)NN=C(C)CF 4a_100000189765_100000039719 [0,1,0,0,0,1|1,0,1]=4 708 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,1,0,0,0,1|1,0,1]=4 709 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,1,0,0,0,1|2,0,0]=4 710 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,1|1,0,0]=3 711 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,1|1,1,0]=4 712 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,1|0,0,2]=4 713 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,1|1,0,0]=3 714 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,1|1,0,0]=3 715 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,1|1,0,1]=4 716 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,1|1,0,1]=4 717 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,1|2,0,0]=4 718 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,1|1,0,0]=3 719 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,1|0,0,2]=4 720 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,1|0,0,2]=4 721 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,1|1,1,0]=4 722 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,1|2,0,0]=4 723 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,1|2,0,0]=4 724 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,1|2,0,0]=4 725 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,1|2,0,0]=4 726 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,1|0,0,2]=4 727 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,0,0,0,1|1,0,1]=4 728 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,1|2,0,0]=4 729 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,1|2,0,0]=4 730 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,1|1,0,1]=4 731 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,1|1,0,1]=4 732 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,1|1,0,1]=4 733 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,1|1,0,1]=4 734 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,1|2,0,0]=4 735 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,1|2,0,0]=4 736 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,1|2,0,0]=4 737 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,1|2,0,0]=4 738 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,1|2,0,0]=4 739 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,1|2,0,0]=4 740 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,1|2,0,0]=4 741 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,1|2,0,0]=4 742 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,1|2,0,0]=4 743 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,1|1,0,0]=3 744 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,1|1,0,0]=3 745 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,1|1,0,0]=3 746 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,1|0,0,2]=4 747 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,1|0,0,2]=4 748 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,1|0,0,2]=4 749 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,1|0,0,2]=4 750 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,1|0,0,2]=4 751 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,1|0,0,2]=4 752 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,1|1,1,0]=4 753 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,1|1,1,0]=4 754 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,1|1,1,0]=4 755 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,1,0,0,0,1|2,0,0]=4 756 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,1,0,0,0,1|2,0,0]=4 757 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,1|0,0,2]=4 758 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,1|2,0,0]=4 759 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,1|2,0,0]=4 760 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,1|2,0,0]=4 761 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,1|0,0,2]=4 762 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,1|2,0,0]=4 763 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,1|2,0,0]=4 764 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,1|2,0,0]=4 765 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,1|2,0,0]=4 766 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,0,1|2,0,0]=4 767 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,1|1,0,0]=3 768 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,1|1,0,0]=3 769 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,1|1,0,0]=3 770 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,1|0,0,2]=4 771 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,1|2,0,0]=4 772 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,1|2,0,0]=4 773 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,1|2,0,0]=4 774 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,1|2,0,0]=4 775 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,1|2,0,0]=4 776 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,1|1,0,0]=3 777 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,1|1,0,1]=4 778 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,1|1,0,0]=3 779 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,1|1,0,0]=3 780 B8R0.29 C=C(C)CNS(=O)(=O)C 40a_100000765925_100000738038 [0,1,0,0,0,1|2,0,0]=4 781 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,0,0,0,1|1,0,1]=4 782 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,0,0,0,1|1,0,1]=4 783 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,0,0,0,1|1,0,1]=4 784 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,1|0,0,2]=4 785 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,1|0,0,2]=4 786 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,1|0,0,2]=4 787 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|2,0,0]=4 792 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,2,0,0,0,0|2,0,0]=4 793 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|2,0,0]=4 795 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.5 C#CCC(=O)C=C(C)C 1458a_100000211388_100000184674 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.5 C#CCC(=O)C=C(C)Cl 1458a_200042562850_100000184674 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.5 C#CCC(=O)C=C(C)I 1458a_100025716642_100000184674 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.5 C#CCC(=O)CC(=C)C 1458a_100011220946_100000748629 [0,2,0,0,0,0|1,0,0]=3 800 B8R0.5 C#CCC(=O)CC(=C)F 1458a_100011220946_100009893438 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,2,0,0,0,0|1,0,0]=3 802 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|1,0,0]=3 804 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,2,0,0,0,0|1,0,1]=4 806 B8R0.5 C=C(C)CC(=O)CC#N 1458a_100051588842_100000748629 [0,2,0,0,0,0|1,0,0]=3 807 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|1,0,0]=3 808 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|1,0,0]=3 809 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|1,0,0]=3 810 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|1,0,0]=3 811 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|1,0,0]=3 814 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|1,0,0]=3 815 B8R0.5 C=C(F)CC(=O)C#CC 1458a_100000763181_100009893438 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.5 C=C(F)CC(=O)CC#N 1458a_100051588842_100009893438 [0,2,0,0,0,0|2,0,0]=4 818 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,2,0,0,0,0|1,0,0]=3 826 B8R0.5 C=CCC(=O)CC(=C)F 1458a_100000210193_100009893438 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.5 CC(=CC(=O)CC#N)C 1458a_100000211388_100011214920 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.5 CC(=CC(=O)CC#N)Cl 1458a_200042562850_100011214920 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.5 CC(=CC(=O)CC#N)I 1458a_100025716642_100011214920 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,2,0,0,0,0|2,0,0]=4 837 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|2,0,0]=4 838 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|2,0,0]=4 839 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,2,0,0,0,0|0,0,2]=4 840 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,2,0,0,0,0|0,0,2]=4 841 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|0,0,2]=4 842 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|0,0,2]=4 843 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|1,0,1]=4 845 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|2,0,0]=4 849 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|1,0,1]=4 851 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|2,0,0]=4 854 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|2,0,0]=4 855 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|2,0,0]=4 856 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|2,0,0]=4 857 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,2,0,0,0,0|0,0,2]=4 859 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,2,0,0,0,0|0,0,2]=4 860 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|2,0,0]=4 861 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|0,0,2]=4 862 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|0,0,2]=4 863 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|0,0,2]=4 864 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,2,0,0,0,0|1,0,1]=4 865 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,2,0,0,0,0|2,0,0]=4 866 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|0,0,2]=4 867 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|2,0,0]=4 868 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|0,0,2]=4 869 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|0,0,2]=4 870 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.19 C=C(C#N)CC(=O)CO 1458a_100000210174_100000694840 [0,2,0,0,0,0|1,0,1]=4 874 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,2,0,0,0,0|2,0,0]=4 877 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,2,0,0,0,0|1,0,1]=4 880 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,2,0,0,0,0|1,0,1]=4 884 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|2,0,0]=4 890 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|2,0,0]=4 895 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|2,0,0]=4 896 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|2,0,0]=4 897 B8R0.34 C=C[Si](C)(C)CC(=O)C 1458a_100000070787_100000038793 [0,2,0,0,0,0|1,1,0]=4 898 B8R0.18 CC(=C(C#N)C(=O)[13CH3])C 1458a_100000137542_200025704644 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.18 CC(=O)C(=C(C)C)C#N 1458a_100000137542_200000210301 [0,2,0,0,0,0|1,0,1]=4 900 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.37 C=C(Cl)C(C)(C)C(=O)C 1458a_100000049003_200000210301 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.37 C=C(Cl)C(C)(C)C(=O)[13CH3] 1458a_100000049003_200025704644 [0,2,0,0,0,0|2,0,0]=4 906 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,1,0,0|0,0,2]=4 907 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,1,0,0|2,0,0]=4 908 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,1,0,0|1,0,1]=4 909 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,1]=4 910 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 911 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,1]=4 912 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 913 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,1|1,0,0]=3 914 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,1|1,0,0]=3 915 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,1|2,0,0]=4 916 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,1|2,0,0]=4 917 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,0,1,0,1|1,0,1]=4 918 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,1|0,0,2]=4 919 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.1 CNc1nnc(o1)C 27a_100102657272_100000708914 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,1,0,1,0,0|2,0,0]=4 923 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,1,0,0|1,1,0]=4 924 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,1,0,0|1,1,0]=4 925 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,1,0,0|1,1,0]=4 926 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,1,0,0|1,1,0]=4 927 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,1,0,1,0,0|1,1,0]=4 928 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,1,0,1,0,0|1,1,0]=4 929 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,1,0,0|1,1,0]=4 930 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,1,0,0|1,1,0]=4 931 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,1,0,1,0,0|1,1,0]=4 932 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,1,0,1,0,0|1,1,0]=4 933 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,1,0,1,0,0|1,1,0]=4 936 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,1,0,1,0,0|1,1,0]=4 937 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,1,0,1,0,0|1,1,0]=4 938 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,1,0,1,0,0|1,1,0]=4 939 B8R1.1 CSc1nnc(o1)C 62a_200000210301_100000708914 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,1,0,0|1,1,0]=4 943 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,1,0,0|1,1,0]=4 944 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,1,0,0|1,1,0]=4 945 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,1,0,0|1,1,0]=4 946 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,1,0,1,0,0|1,1,0]=4 947 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,1,0,1,0,0|1,1,0]=4 948 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,1,0,0|1,1,0]=4 949 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,1,0,0|1,1,0]=4 950 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,1,0,1,0,0|1,1,0]=4 951 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,1,0,1,0,0|1,1,0]=4 952 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,1,0,1,0,0|1,1,0]=4 955 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,1,0,1,0,0|1,1,0]=4 956 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,1,0,1,0,0|1,1,0]=4 957 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,1,0,1,0,0|1,1,0]=4 958 B8R1.1 Cc1nnc(o1)S[13CH3] 62a_200025704644_100000708914 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,1,0,0|0,0,2]=4 960 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,1,0,0|1,0,1]=4 961 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,1,0,0|0,0,2]=4 962 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,1,0,0|0,1,1]=4 963 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,1,0,0|0,1,1]=4 964 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,1,0,1,0,0|1,1,0]=4 966 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,1,0,1,0,0|1,1,0]=4 967 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|2,0,0]=4 968 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,1,0,1,0,0|1,0,1]=4 969 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,1,0,1,0,0|1,0,1]=4 970 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,0,0,0,2|1,0,0]=3 971 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,2|1,0,1]=4 972 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,2|1,0,1]=4 973 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,2|2,0,0]=4 974 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,2|2,0,0]=4 975 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,2|1,0,0]=3 976 B8R0.28 C=C(C)COCC(=C)C 34a_100000210245_100000748629 [0,0,0,0,0,2|1,0,0]=3 977 B8R0.28 C=C(C)COCC(=C)F 34a_100000210245_100009893438 [0,0,0,0,0,2|1,0,1]=4 978 B8R0.28 C=C(C)COCC(=C)F 34a_200010262243_100000748629 [0,0,0,0,0,2|1,0,1]=4 979 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,2|0,0,0]=2 980 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,2|1,0,0]=3 981 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,2|1,0,0]=3 982 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,0,0,0,2|1,0,1]=4 983 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,2|1,0,1]=4 984 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,2|1,0,1]=4 985 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,0,0,0,2|1,0,1]=4 986 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,2|0,0,2]=4 987 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,0,0,0,2|1,0,1]=4 988 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,0,0,0,2|1,0,1]=4 989 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,2|0,0,2]=4 990 B8R0.28 C=C(C)COC[N+](=O)[O-] 34a_100000210245_100000761209 [0,0,0,0,0,2|2,0,0]=4 991 B8R0.28 C=C(C)CSCC(=C)C 62a_100000748629_100000211660 [0,0,0,0,0,2|1,1,0]=4 992 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,0,0,0,2|1,1,0]=4 993 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,0,0,0,2|1,1,0]=4 994 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,0,0,0,0,2|1,1,0]=4 995 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,0,0,0,0,2|1,1,0]=4 996 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,0,0,0,0,2|1,0,0]=3 997 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [0,0,0,0,0,2|2,0,0]=4 998 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [0,0,0,0,0,2|2,0,0]=4 999 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,2|1,0,1]=4 1000 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,2|2,0,0]=4 1001 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,2|2,0,0]=4 1002 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,2|2,0,0]=4 1003 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,2|1,0,0]=3 1004 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,2|2,0,0]=4 1005 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,2|0,0,2]=4 1006 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,2|0,0,2]=4 1007 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,2|0,0,2]=4 1008 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,2|1,1,0]=4 1009 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,2|2,0,0]=4 1010 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,2|2,0,0]=4 1011 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,2|2,0,0]=4 1012 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,2|0,0,2]=4 1013 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,2|0,0,2]=4 1014 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,2|1,0,1]=4 1015 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,2|1,0,1]=4 1016 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,2|1,0,1]=4 1017 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,2|1,0,1]=4 1018 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,2|1,0,1]=4 1019 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,2|2,0,0]=4 1020 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,2|1,0,1]=4 1021 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,2|0,0,2]=4 1022 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,2|0,0,2]=4 1023 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,2|0,0,2]=4 1024 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,2|0,0,2]=4 1025 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,2|1,1,0]=4 1026 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,2|0,0,2]=4 1027 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,2|2,0,0]=4