0 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,0,0,0,0|1,0,3]=4 15 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|2,1,1]=4 19 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|2,1,1]=4 20 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|1,0,3]=4 23 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,0,0,0,0|1,0,2]=3 49 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,0,0,0,0|1,0,2]=3 50 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,0,0,0,0|1,0,2]=3 51 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,0,0,0,0|1,0,2]=3 52 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|1,0,3]=4 72 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|2,1,1]=4 79 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|2,1,1]=4 80 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|2,1,1]=4 81 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|2,1,1]=4 82 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|0,0,1]=2 91 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|0,0,1]=2 92 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|0,0,1]=2 93 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|0,1,1]=3 94 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|0,1,1]=3 95 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|0,1,1]=3 96 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|0,1,1]=3 97 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|1,1,1]=4 104 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|1,1,1]=4 105 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|1,1,1]=4 106 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|1,1,1]=4 107 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|0,0,3]=4 115 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|1,0,2]=4 131 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|0,0,3]=4 132 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|0,0,3]=4 133 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,1,1]=4 141 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,1,1]=4 142 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|1,1,1]=4 155 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|1,1,1]=4 156 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 162 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,2]=4 164 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,2]=4 165 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,2]=4 166 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|0,0,0]=1 176 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|0,0,0]=1 177 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|0,0,2]=3 178 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|0,0,2]=3 179 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|1,0,1]=3 180 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|1,0,2]=4 181 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|1,0,1]=3 185 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|0,0,2]=3 188 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|1,0,1]=3 191 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|1,0,2]=4 192 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,0,0,0,0|1,0,0]=2 198 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,1,0,0,0,0|2,0,0]=3 205 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|1,1,0]=3 208 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|1,1,0]=3 209 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|0,1,2]=4 216 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|0,1,2]=4 217 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 238 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|1,1,1]=4 252 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|1,1,1]=4 253 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|2,0,1]=4 258 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|1,0,0]=2 269 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|0,0,2]=3 270 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|0,0,2]=3 271 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|1,0,1]=3 275 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|1,1,0]=3 282 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|1,1,0]=3 283 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|0,1,2]=4 284 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|0,1,2]=4 285 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|0,1,2]=4 286 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|1,1,1]=4 287 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|1,1,1]=4 288 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|1,1,1]=4 289 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|1,1,1]=4 290 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|1,1,1]=4 291 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|1,1,1]=4 292 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,0]=2 298 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,0]=2 300 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,0]=2 301 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,1]=3 303 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,1]=3 305 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 306 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 307 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,1]=3 308 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|1,0,2]=4 314 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|1,0,2]=4 315 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,2]=4 316 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,2]=4 317 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|1,0,2]=4 322 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|1,0,2]=4 323 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|1,0,2]=4 324 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|1,0,2]=4 325 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,2]=4 332 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 334 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 335 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 340 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|1,0,0]=2 343 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 344 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 345 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|1,0,0]=2 346 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,1,0,0,0,0|1,0,2]=4 347 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,1,0,0,0,0|1,0,2]=4 350 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|1,0,2]=4 351 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|1,0,2]=4 354 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|1,0,2]=4 356 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|1,0,2]=4 361 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|1,0,2]=4 362 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|1,0,2]=4 363 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|1,0,2]=4 364 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|1,0,2]=4 365 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|1,0,2]=4 377 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|1,0,2]=4 378 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|1,0,2]=4 379 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|0,0,2]=3 380 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|0,0,2]=3 381 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|0,0,2]=3 382 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|0,0,2]=3 383 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|0,0,2]=3 384 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|0,0,2]=3 385 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|0,0,2]=3 386 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|0,0,2]=3 387 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|0,0,2]=3 388 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|0,0,2]=3 389 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,1,0,0,0,0|1,0,2]=4 397 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,1,0,0,0,0|1,0,2]=4 400 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,1,0,0,0,0|1,0,2]=4 401 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,1,0,0,0,0|1,0,2]=4 402 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,1,0,0,0,0|1,0,2]=4 404 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,1,0,0,0,0|1,0,2]=4 405 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,1,0,0,0,0|1,0,2]=4 406 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,1,0,0,0,0|1,0,2]=4 407 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,1,0,0,0,0|1,0,2]=4 408 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,0,0,0,0|1,0,2]=4 415 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,0,0,0,0|1,0,2]=4 416 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,1,0,0,0,0|2,0,0]=3 417 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,1,0,0,0,0|2,0,0]=3 418 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,0,0|1,0,0]=2 419 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,1,0,0,0,0|1,0,0]=2 421 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,1,0,0,0,0|2,0,0]=3 424 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,1,0,0,0,0|2,0,0]=3 425 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,0,0|1,0,2]=4 427 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,0,0|1,0,2]=4 428 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,0,0,0,0|1,0,2]=4 429 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,0,0,0,0|1,0,2]=4 430 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,0,0,0,0|1,0,2]=4 431 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,0,0,0,0|1,0,2]=4 432 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,0,0|1,0,2]=4 433 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,0,0|1,0,2]=4 434 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,0,0,0,0|2,0,1]=4 443 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,0,0,1,0,0|2,0,1]=4 444 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,0,0,1,0,0|0,1,2]=4 445 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,0,0,1,0,0|3,0,0]=4 447 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|2,0,1]=4 448 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|2,0,1]=4 449 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|2,0,1]=4 450 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|1,0,2]=4 451 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|2,0,1]=4 452 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|1,0,2]=4 453 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 454 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 455 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 456 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 458 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 459 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 460 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,0,0,0,0,1|1,0,1]=3 461 B7R0.2 C#CC(=O)CC(=C)F 1458a_100000211873_100009893438 [0,0,0,0,0,1|2,0,1]=4 462 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,0,0,0,1|1,0,0]=2 463 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,0,0,0,1|2,0,0]=3 464 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 465 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 466 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,0,0,0,1|3,0,0]=4 467 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 468 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 469 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,0,0,0,1|3,0,0]=4 470 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 471 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 472 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,0,0,0,1|2,0,0]=3 473 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,0,0,0,0,1|3,0,0]=4 474 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,0,0,0,0,1|1,0,1]=3 475 B7R0.2 C=CC(=O)CC(=C)F 1458a_100000185746_100009893438 [0,0,0,0,0,1|2,0,1]=4 476 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,0,0,0,0,1|2,0,1]=4 477 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,0,0,0,0,1|3,0,0]=4 478 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,0,0,0,0,1|3,0,0]=4 479 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,0,1|1,0,2]=4 480 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|3,0,0]=4 481 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|3,0,0]=4 482 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,0,1|1,0,1]=3 483 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,0,1|2,0,0]=3 484 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,0,1|2,0,0]=3 485 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,0,0,0,0,1|3,0,0]=4 486 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|2,0,0]=3 487 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|3,0,0]=4 488 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|3,0,0]=4 489 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|3,0,0]=4 490 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,0,0,0,1|1,0,2]=4 491 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,0,0,0,1|1,0,2]=4 492 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,0,0,0,1|2,0,1]=4 493 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,0,0,0,0,1|2,0,1]=4 494 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,0,0,0,0,1|2,0,1]=4 495 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,0,0,0,1|2,0,1]=4 496 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,0,0,0,0,1|2,0,1]=4 497 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,0,0,0,1|1,0,2]=4 498 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,0,0,0,1|1,0,2]=4 499 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,0,0,0,1|1,0,2]=4 500 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,0,0,0,1|1,0,2]=4 501 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,0,1|1,0,1]=3 502 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,0,1|1,0,1]=3 503 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,0,1|1,0,1]=3 504 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,0,0,0,1|2,0,0]=3 505 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,0,0,0,1|2,0,0]=3 506 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,0,0,0,1|2,0,0]=3 507 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,0,0,0,1|2,0,0]=3 508 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,0,0,0,1|2,0,0]=3 509 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,0,0,0,0,1|3,0,0]=4 510 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,0,0,0,0,1|3,0,0]=4 511 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,0,1|2,0,0]=3 512 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,0,1|3,0,0]=4 513 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,0,1|3,0,0]=4 514 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,0,0,0,1|1,0,2]=4 515 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,0,0,0,1|1,0,2]=4 516 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,0,0,0,1|1,0,2]=4 517 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,0,0,0,1|1,0,2]=4 518 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,0,0,0,0,1|2,0,1]=4 519 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,0,0,0,0,1|2,0,1]=4 520 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,0,0,0,0,1|2,0,1]=4 521 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,0,0,0,0,1|2,0,1]=4 522 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,0,0,0,0,1|2,0,1]=4 523 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,0,0,0,0,1|2,0,1]=4 524 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,0,0,0,0,1|2,0,1]=4 525 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,0,0,0,1|2,0,1]=4 526 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,0,0,0,0,1|2,0,1]=4 527 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,0,0,0,0,1|2,0,1]=4 528 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,0,0,0,0,1|2,0,1]=4 529 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,0,0,0,0,1|2,0,1]=4 530 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,0,0,0,0,1|1,0,2]=4 531 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,0,0,0,0,1|1,0,2]=4 532 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,0,0,0,0,1|1,0,2]=4 533 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,0,0,0,0,1|1,0,2]=4 534 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,0,0,0,0,1|1,0,2]=4 535 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,0,1|1,0,0]=2 536 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,0,1|1,0,0]=2 537 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,0,1|1,0,0]=2 538 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,0,0,0,0,1|1,0,1]=3 539 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,0,0,0,0,1|1,0,1]=3 540 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,0,0,0,0,1|1,0,1]=3 541 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,0,0,0,0,1|1,0,1]=3 542 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,0,1|1,0,2]=4 543 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 544 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 545 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,0]=2 546 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,0]=2 547 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 548 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 549 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|0,0,2]=4 550 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 551 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 552 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 553 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 554 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 555 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 556 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 557 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|0,0,2]=4 558 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|0,0,2]=4 559 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 560 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 561 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 562 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 563 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 564 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 565 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|0,0,1]=3 566 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|0,0,1]=3 567 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|0,0,1]=3 568 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|0,1,1]=4 569 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|0,1,1]=4 570 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|0,1,1]=4 571 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|0,1,1]=4 572 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|0,0,2]=4 573 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|0,0,2]=4 574 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|0,0,2]=4 575 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|1,0,1]=4 576 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 577 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|1,0,1]=4 578 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|1,0,1]=4 579 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|1,0,1]=4 580 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|1,0,1]=4 581 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|1,0,1]=4 582 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [1,1,0,0,0,0|0,0,2]=4 583 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,1,0,0,0,0|0,0,2]=4 584 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,1,0,0,0,0|0,0,2]=4 585 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,1,0,0,0,0|0,0,2]=4 586 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,1,0,0,0,0|0,0,2]=4 587 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|2,0,0]=4 613 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|2,0,0]=4 614 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|0,0,1]=3 624 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|0,0,1]=3 625 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|0,0,1]=3 626 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|0,1,1]=4 627 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|0,1,1]=4 628 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|0,1,1]=4 629 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|0,1,1]=4 630 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|0,0,1]=3 632 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|0,0,1]=3 633 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,1,0,0,0,0|0,0,1]=3 634 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|0,1,1]=4 635 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|0,1,1]=4 636 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [1,1,0,0,0,0|0,1,1]=4 637 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [1,1,0,0,0,0|0,1,1]=4 638 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|0,0,1]=3 643 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|0,1,1]=4 644 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|0,1,1]=4 645 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|2,0,0]=4 649 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|2,0,0]=4 650 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|2,0,0]=4 652 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|2,0,0]=4 653 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 657 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|1,0,0]=3 661 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|1,0,0]=3 662 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|0,0,1]=3 663 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|0,0,1]=3 664 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 665 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|0,1,1]=4 671 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|0,1,1]=4 672 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [1,1,0,0,0,0|1,0,1]=4 677 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 679 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 680 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|0,0,2]=4 684 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|0,0,2]=4 685 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|0,0,2]=4 686 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|0,0,2]=4 687 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|0,0,2]=4 688 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|0,0,2]=4 689 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,1|2,0,0]=4 690 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,1|2,0,0]=4 691 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,0,0,0,1|2,0,0]=4 692 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,1,0,0,0,1|2,0,0]=4 693 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,1,0,0,0,1|1,0,1]=4 694 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,1,0,0,0,1|1,0,1]=4 695 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,1,0,0,0,1|1,0,1]=4 696 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,1,0,0,0,1|1,0,1]=4 697 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,1|1,0,0]=3 698 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,1|1,0,0]=3 699 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,1|1,0,0]=3 700 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,0,1|1,0,1]=4 701 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,0,1|1,0,1]=4 702 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,0,1|1,0,1]=4 703 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,0,1|1,0,1]=4 704 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,0,1|1,0,1]=4 705 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,0,1|1,0,1]=4 706 B8R0.5 C#CCC(=O)CC(=C)C 1458a_100011220946_100000748629 [0,1,0,0,0,1|1,0,1]=4 707 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,1,0,0,0,1|1,0,0]=3 708 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,1,0,0,0,1|1,0,1]=4 709 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,1,0,0,0,1|1,0,0]=3 710 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,1,0,0,0,1|1,0,1]=4 711 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,1,0,0,0,1|1,0,1]=4 712 B8R0.5 C=C(C)CC(=O)CC#N 1458a_100051588842_100000748629 [0,1,0,0,0,1|1,0,1]=4 713 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,1|1,0,0]=3 714 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,1|1,0,0]=3 715 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,1|0,0,0]=2 716 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,0,0,0,1|0,1,0]=3 717 B8R0.5 C=C(C)CN(C)COC 2230a_100000225649_100000766300 [0,1,0,0,0,1|2,0,0]=4 718 B8R0.5 C=C(C)CN(C)COC 269982a_100000225649_100000766300 [0,1,0,0,0,1|2,0,0]=4 719 B8R0.5 C=C(F)CC(=O)C#CC 1458a_100000763181_100009893438 [0,1,0,0,0,1|2,0,0]=4 720 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,1,0,0,0,1|2,0,0]=4 721 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,1|2,0,0]=4 722 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,1,0,0,0,1|2,0,0]=4 723 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,1,0,0,0,1|1,0,0]=3 724 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,1,0,0,0,1|1,1,0]=4 725 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,1,0,0,0,1|1,0,1]=4 726 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,1,0,0,0,1|1,0,1]=4 727 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,0,0,0,1|1,0,1]=4 728 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,1,0,0,0,1|2,0,0]=4 729 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,1,0,0,0,1|2,0,0]=4 730 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,0,0,0,1|1,0,1]=4 731 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,1,0,0,0,1|2,0,0]=4 732 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,1,0,0,0,1|2,0,0]=4 733 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,1|2,0,0]=4 734 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,1|1,1,0]=4 735 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,1|1,0,1]=4 736 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,1|2,0,0]=4 737 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,1|2,0,0]=4 738 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,1|2,0,0]=4 739 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,1|1,0,1]=4 740 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,1|1,0,1]=4 741 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,0,0,0,1|2,0,0]=4 742 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,0,0,0,1|2,0,0]=4 743 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,0,0,0,1|2,0,0]=4 744 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,1|2,0,0]=4 745 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,1|1,0,0]=3 746 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,1|1,0,0]=3 747 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,1|1,0,0]=3 748 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,1|1,0,1]=4 749 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,1|1,0,1]=4 750 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,1|1,0,1]=4 751 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,1|1,0,1]=4 752 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,1|2,0,0]=4 753 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,1,0,0,0,1|1,0,1]=4 754 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,1,0,0,0,1|2,0,0]=4 755 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,0,0,0,1|2,0,0]=4 756 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,0,0,0,1|2,0,0]=4 757 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,1|0,0,2]=4 758 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,1|1,0,1]=4 759 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,1|0,0,2]=4 760 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,1|0,0,2]=4 761 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,1|0,0,2]=4 762 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,1|0,0,2]=4 763 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,1|0,0,2]=4 764 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,1|0,0,2]=4 765 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,1|1,1,0]=4 766 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [0,1,0,0,0,1|1,0,1]=4 767 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [0,1,0,0,0,1|1,0,1]=4 768 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,0,0,0,1|2,0,0]=4 769 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,1,0,0,0,1|2,0,0]=4 770 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,1|1,0,0]=3 771 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,0,0,0,1|1,0,1]=4 772 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,0,0,0,1|1,0,1]=4 773 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 774 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 775 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,0,0,0,1|1,0,1]=4 776 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|1,0,1]=4 777 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 778 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 779 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|1,0,1]=4 780 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,0,0,0,1|2,0,0]=4 781 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|2,0,0]=4 782 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,0,0,0,1|2,0,0]=4 783 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|1,0,0]=3 784 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|1,0,0]=3 785 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|1,0,1]=4 786 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|1,0,1]=4 787 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|1,0,1]=4 788 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,0,0,0,1|2,0,0]=4 789 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,0,0,0,1|1,0,0]=3 790 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,1|0,0,2]=4 791 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,1|0,0,2]=4 792 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,1|0,0,2]=4 793 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,0,0,0,1|1,0,0]=3 794 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,0,0,0,1|1,0,0]=3 795 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,1|0,0,2]=4 796 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,1|0,0,2]=4 797 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,1|0,0,2]=4 798 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,1|0,0,2]=4 799 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,1|0,0,2]=4 800 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,0,1|1,0,0]=3 801 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,1|1,0,0]=3 802 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,1,0,0,0,1|1,0,0]=3 803 B8R0.23 C=C(C)CC(=O)C(O)O 1458a_100000233687_100000748629 [0,1,0,0,0,1|2,0,0]=4 804 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,0,0,0,1|1,0,0]=3 805 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,0,0,0,1|1,0,0]=3 806 B8R0.23 C=C(F)CC(=O)C(=C)C 1458a_100000185857_100009893438 [0,1,0,0,0,1|2,0,0]=4 807 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,1,0,0,0,1|2,0,0]=4 808 B8R0.23 C=C(F)CC(=O)C(C)F 1458a_100000062450_100009893438 [0,1,0,0,0,1|2,0,0]=4 809 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [0,1,0,0,0,1|2,0,0]=4 810 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [0,1,0,0,0,1|2,0,0]=4 811 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,1|1,0,1]=4 812 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,0,1|2,0,0]=4 813 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,0,1|2,0,0]=4 814 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,0,0,0,1|1,0,1]=4 815 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,0,0,0,1|1,0,1]=4 816 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,0,0,0,1|1,0,1]=4 817 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,1,0,0,0,1|2,0,0]=4 818 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,1,0,0,0,1|2,0,0]=4 819 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,1,0,0,0,1|2,0,0]=4 820 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,1,0,0,0,1|2,0,0]=4 821 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,1,0,0,0,1|2,0,0]=4 822 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,1|2,0,0]=4 823 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,1|2,0,0]=4 824 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,1|2,0,0]=4 825 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|0,0,2]=4 826 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,2,0,0,0,0|1,0,1]=4 827 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|1,0,0]=3 830 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|1,0,0]=3 831 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|1,0,0]=3 832 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|1,0,0]=3 833 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|1,0,0]=3 834 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|0,0,0]=2 835 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,2,0,0,0,0|1,0,0]=3 836 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|0,0,0]=2 837 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|0,0,0]=2 838 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|0,0,0]=2 839 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|0,0,0]=2 840 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|0,0,0]=2 841 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|1,0,1]=4 842 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 845 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|1,0,1]=4 848 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|1,0,1]=4 849 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 851 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|1,0,1]=4 852 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 854 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 855 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 856 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 857 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.3 C=CCN(C)C(=O)NC 2708a_100102657272_100000225617 [0,2,0,0,0,0|2,0,0]=4 860 B8R0.3 C=CCN(C)C(=O)NC 273464a_100102657272_100000225617 [0,2,0,0,0,0|2,0,0]=4 861 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,0]=3 862 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|2,0,0]=4 863 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,0]=3 864 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,0]=3 865 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,0]=3 866 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,0]=3 867 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|1,0,1]=4 868 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,0,2]=4 869 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|2,0,0]=4 870 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,0,1]=4 874 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 875 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|2,0,0]=4 877 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 878 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 879 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 880 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 883 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 884 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 885 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,0,2]=4 886 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|1,0,0]=3 887 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 888 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 889 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|0,0,2]=4 890 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|0,0,2]=4 891 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|0,0,2]=4 892 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|0,0,2]=4 893 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|0,0,2]=4 894 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|0,0,2]=4 895 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|0,0,2]=4 896 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|0,0,2]=4 897 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|1,0,1]=4 898 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|1,0,1]=4 900 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,0,1]=4 901 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|1,0,1]=4 902 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|1,0,1]=4 903 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|1,0,1]=4 905 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|0,0,2]=4 906 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|0,0,2]=4 907 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|0,0,2]=4 908 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|0,0,2]=4 909 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|0,0,2]=4 910 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|0,0,2]=4 911 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|1,0,1]=4 912 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,2,0,0,0,0|2,0,0]=4 914 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|2,0,0]=4 915 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|2,0,0]=4 916 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,0]=3 917 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|0,0,2]=4 918 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,2,0,0,0,0|2,0,0]=4 919 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,2,0,0,0,0|2,0,0]=4 920 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,0]=3 922 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,0]=3 923 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,0]=3 924 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|0,0,2]=4 925 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|0,0,2]=4 926 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|0,0,2]=4 927 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|0,0,2]=4 928 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|0,0,2]=4 929 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|0,0,2]=4 930 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|0,0,2]=4 931 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|0,0,2]=4 932 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|0,0,2]=4 933 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,1]=4 934 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,1]=4 935 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,0]=3 936 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|0,0,2]=4 937 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|0,0,2]=4 938 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|0,0,2]=4 939 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|0,0,2]=4 940 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,1]=4 942 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,2,0,0,0,0|1,0,0]=3 943 B8R0.8 C#CCNC(=O)C(=C)Br 11a_100000212058_100009813364 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.8 C#CCNC(=O)C(=C)Br 1626a_100000212058_100009813364 [0,2,0,0,0,0|2,0,0]=4 945 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,2,0,0,0,0|1,0,0]=3 947 B8R0.8 C#CCNC(=O)C(=C)Cl 11a_100000212058_100000039160 [0,2,0,0,0,0|2,0,0]=4 948 B8R0.8 C#CCNC(=O)C(=C)Cl 1626a_100000212058_100000039160 [0,2,0,0,0,0|2,0,0]=4 949 B8R0.8 C#CCNC(=O)C(=C)F 11a_100000212058_100000036797 [0,2,0,0,0,0|2,0,0]=4 950 B8R0.8 C#CCNC(=O)C(=C)F 1626a_100000212058_100000036797 [0,2,0,0,0,0|2,0,0]=4 951 B8R0.8 C=C(Br)C(=O)NCC#N 1626a_100000734998_100009813364 [0,2,0,0,0,0|2,0,0]=4 952 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,2,0,0,0,0|2,0,0]=4 957 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,2,0,0,0,0|1,0,0]=3 958 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,2,0,0,0,0|1,0,0]=3 959 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,2,0,0,0,0|1,0,0]=3 960 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,2,0,0,0,0|1,0,0]=3 961 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|1,0,0]=3 962 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|1,0,0]=3 963 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|1,0,0]=3 964 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,2,0,0,0,0|0,0,0]=2 965 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,2,0,0,0,0|0,1,0]=3 966 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 968 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,2,0,0,0,0|1,0,0]=3 969 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,2,0,0,0,0|1,0,0]=3 971 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,2,0,0,0,0|1,0,0]=3 972 B8R0.8 C=C(Cl)C(=O)NCC#N 1626a_100000734998_100000039160 [0,2,0,0,0,0|2,0,0]=4 973 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,2,0,0,0,0|2,0,0]=4 976 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.8 C=C(F)C(=O)NCC#N 1626a_100000734998_100000036797 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,2,0,0,0,0|2,0,0]=4 981 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,2,0,0,0,0|2,0,0]=4 982 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,2,0,0,0,0|1,0,0]=3 985 B8R0.8 C=CCNC(=O)C(=C)Br 1626a_100020586998_100009813364 [0,2,0,0,0,0|2,0,0]=4 986 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,2,0,0,0,0|1,0,0]=3 987 B8R0.8 C=CCNC(=O)C(=C)Cl 1626a_100020586998_100000039160 [0,2,0,0,0,0|2,0,0]=4 988 B8R0.8 C=CCNC(=O)C(=C)F 1626a_100020586998_100000036797 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,2,0,0,0,0|1,1,0]=4 990 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,2,0,0,0,0|1,1,0]=4 991 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|0,0,2]=4 992 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|0,0,2]=4 993 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,2,0,0,0,0|1,0,0]=3 996 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|0,0,2]=4 997 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|0,0,2]=4 998 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,2,0,0,0,0|1,1,0]=4 1004 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,2,0,0,0,0|1,1,0]=4 1005 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,2,0,0,0,0|0,0,2]=4 1007 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|0,0,2]=4 1010 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|0,0,2]=4 1011 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,2,0,0,0,0|1,0,1]=4 1015 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,2,0,0,0,0|1,0,1]=4 1016 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,2,0,0,0,0|1,0,1]=4 1017 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|1,0,1]=4 1018 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|0,0,2]=4 1020 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|0,0,2]=4 1021 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,2,0,0,0,0|0,0,2]=4 1023 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,2,0,0,0,0|0,0,2]=4 1024 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,2,0,0,0,0|0,0,2]=4 1025 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,2,0,0,0,0|0,0,2]=4 1026 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.13 C=CC(C)(C)C(=O)NC 11a_106832991635_100012027013 [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.13 C=CC(C)(C)C(=O)NC 1626a_100102657272_100012027013 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.13 C=CC(C)(C)C(=O)NC 240690a_100102657272_100012027013 [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.13 C=CC(C)(C)C(=O)NC 527a_100102657272_100012027013 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|0,0,2]=4 1032 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|0,0,2]=4 1033 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|0,0,2]=4 1034 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|0,0,2]=4 1037 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|0,0,2]=4 1038 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|0,0,2]=4 1039 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|0,0,2]=4 1040 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|0,0,2]=4 1045 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|0,0,2]=4 1046 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|0,0,2]=4 1047 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|0,0,2]=4 1048 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|0,0,2]=4 1049 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,0,2]=4 1055 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,0,2]=4 1056 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,0,2]=4 1057 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,0,2]=4 1058 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,0,2]=4 1059 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,0,2]=4 1060 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,0,2]=4 1061 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,0,2]=4 1062 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,0,2]=4 1063 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,0,2]=4 1064 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,0,2]=4 1065 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,0,2]=4 1066 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|0,0,1]=3 1067 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|0,0,2]=4 1068 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|0,0,2]=4 1069 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|0,0,1]=3 1070 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|0,0,1]=3 1071 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|0,0,1]=3 1072 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|0,0,1]=3 1073 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|0,0,1]=3 1074 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|0,0,2]=4 1075 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|0,0,2]=4 1076 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|0,0,2]=4 1077 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|0,0,2]=4 1078 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|0,0,2]=4 1079 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|0,0,2]=4 1080 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|0,0,2]=4 1081 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|0,0,2]=4 1082 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|0,0,2]=4 1083 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|0,0,2]=4 1084 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|0,0,2]=4 1085 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|0,0,2]=4 1086 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|0,0,2]=4 1087 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|0,0,2]=4 1088 B8R0.27 C=C(C)C(=O)C(F)(F)F 1458a_100000185857_200000243211 [0,2,0,0,0,0|2,0,0]=4 1089 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,1,0,0|1,0,1]=4 1090 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [1,0,0,1,0,0|2,0,0]=4 1091 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 1092 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 1093 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,0,0,1,0,1|2,0,0]=4 1094 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,0,0,1,0,1|1,1,0]=4 1095 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,0,0,1,0,1|2,0,0]=4 1096 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,0,0,1,0,1|0,2,0]=4 1097 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,0,0,1,0,1|0,2,0]=4 1098 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,0,0,1,0,1|1,1,0]=4 1099 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,0,0,1,0,1|1,1,0]=4 1100 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,0,0,1,0,1|1,1,0]=4 1101 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,0,0,1,0,1|1,1,0]=4 1102 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,0,0,1,0,1|0,2,0]=4 1103 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,0,0,1,0,1|0,2,0]=4 1104 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,0,0,1,0,1|1,1,0]=4 1105 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,0,0,1,0,1|1,1,0]=4 1106 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,0,0,1,0,1|1,1,0]=4 1107 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,0,0,1,0,1|1,1,0]=4 1108 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,0,0,1,0,1|1,1,0]=4 1109 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,0,0,1,0,1|1,1,0]=4 1110 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,0,0,1,0,1|1,1,0]=4 1111 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,0,0,1,0,1|1,1,0]=4 1112 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,0,0,1,0,1|0,2,0]=4 1113 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,0,0,1,0,1|0,2,0]=4 1114 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,0,0,1,0,1|0,2,0]=4 1115 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,0,0,1,0,1|0,2,0]=4 1116 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,0,0,1,0,1|2,0,0]=4 1117 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,1|1,0,1]=4 1118 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,1|1,0,1]=4 1119 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,0,0,1,0,1|1,0,1]=4 1120 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,0,0,1,0,1|1,0,1]=4 1121 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,1|2,0,0]=4 1122 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,0,1,0,1|1,0,1]=4 1123 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,0,1,0,1|1,0,1]=4 1124 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,1,0,1,0,0|1,0,1]=4 1126 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,1,0,1,0,0|1,0,1]=4 1127 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,1,0,1,0,0|2,0,0]=4 1128 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,1,0,1,0,0|1,0,1]=4 1129 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,1,0,1,0,0|2,0,0]=4 1131 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,1,0,1,0,0|2,0,0]=4 1132 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,1,0,1,0,0|2,0,0]=4 1133 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|0,0,2]=4 1134 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|0,0,2]=4 1135 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|0,0,2]=4 1136 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|0,0,2]=4 1137 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [0,1,0,1,0,0|1,0,1]=4 1138 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [0,1,0,1,0,0|1,0,1]=4 1139 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [0,1,0,1,0,0|1,0,1]=4 1140 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [0,1,0,1,0,0|1,0,1]=4 1141 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 1142 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,2]=4 1143 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,2]=4 1144 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,2]=4 1145 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,1,0,1,0,0|2,0,0]=4 1146 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,2]=4 1148 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,2]=4 1149 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,1,0,0|1,1,0]=4 1150 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,1,0,0|1,1,0]=4 1151 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,1,0,1,0,0|2,0,0]=4 1152 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,1,0,1,0,0|2,0,0]=4 1153 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,1,0,1,0,0|0,2,0]=4 1154 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,1,0,1,0,0|0,2,0]=4 1155 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,1,0,1,0,0|1,1,0]=4 1156 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,1,0,1,0,0|1,1,0]=4 1157 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,1,0,1,0,0|1,1,0]=4 1158 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,1,0,1,0,0|1,1,0]=4 1159 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,1,0,1,0,0|1,1,0]=4 1160 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,1,0,1,0,0|1,1,0]=4 1161 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,1,0,0|0,2,0]=4 1162 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,1,0,0|0,2,0]=4 1163 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,1,0,1,0,0|0,2,0]=4 1164 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,1,0,1,0,0|0,2,0]=4 1165 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,1,0,1,0,0|1,1,0]=4 1166 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,1,0,1,0,0|1,1,0]=4 1167 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,1,0,1,0,0|1,1,0]=4 1168 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,1,0,1,0,0|1,1,0]=4 1169 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,1,0,0|0,2,0]=4 1170 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,1,0,0|0,2,0]=4 1171 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,1,0,1,0,0|0,2,0]=4 1172 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,1,0,1,0,0|0,2,0]=4 1173 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,1,0,1,0,0|0,2,0]=4 1174 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,1,0,1,0,0|0,2,0]=4 1175 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,1,0,1,0,0|2,0,0]=4 1176 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,1,0,1,0,0|2,0,0]=4 1177 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,1,0,0|1,1,0]=4 1178 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,1,0,0|1,1,0]=4 1179 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,1,0,1,0,0|1,1,0]=4 1180 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,1,0,1,0,0|1,1,0]=4 1181 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,1,0,1,0,0|2,0,0]=4 1182 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,1,0,1,0,0|1,0,1]=4 1183 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,2]=4 1184 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,2]=4 1185 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,0,0,0,0,2|1,0,1]=4 1186 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,0,2|1,0,0]=3 1187 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,0,2|1,0,0]=3 1188 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,0,0,0,0,2|2,0,0]=4 1189 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,0,0,0,0,2|2,0,0]=4 1190 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,0,0,0,0,2|1,0,0]=3 1191 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,0,0,0,0,2|1,0,0]=3 1192 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,0,0,0,0,2|1,0,0]=3 1193 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,0,0,0,0,2|1,0,0]=3 1194 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,0,0,0,0,2|1,0,0]=3 1195 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,0,0,0,0,2|1,0,0]=3 1196 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,0,0,0,0,2|1,0,0]=3 1197 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,0,0,0,0,2|1,0,0]=3 1198 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,0,0,0,0,2|2,0,0]=4 1199 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,0,0,0,0,2|2,0,0]=4 1200 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,0,0,0,0,2|1,0,0]=3 1201 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,0,0,0,0,2|1,0,0]=3 1202 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,0,0,0,0,2|1,0,0]=3 1203 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,0,0,0,0,2|1,0,0]=3 1204 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,0,0,0,0,2|1,0,0]=3 1205 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,0,0,0,0,2|1,0,0]=3 1206 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,0,0,0,0,2|1,0,1]=4 1207 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,0,0,0,0,2|1,0,1]=4 1208 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,0,0,0,0,2|1,0,1]=4 1209 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,0,0,0,0,2|1,0,1]=4 1210 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,0,0,0,0,2|1,0,1]=4 1211 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,0,2|1,0,1]=4 1212 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,0,2|1,0,1]=4 1213 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,2|2,0,0]=4 1214 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,2|2,0,0]=4 1215 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,2|2,0,0]=4 1216 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,2|2,0,0]=4 1217 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,2|2,0,0]=4 1218 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,2|2,0,0]=4 1219 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,2|2,0,0]=4 1220 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,0,0,0,2|2,0,0]=4 1221 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,0,0,0,2|2,0,0]=4 1222 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,0,2|1,0,1]=4 1223 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,0,2|1,0,1]=4 1224 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,0,2|1,0,1]=4 1225 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,0,2|1,0,1]=4 1226 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,2|2,0,0]=4 1227 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,2|2,0,0]=4 1228 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,0,2|2,0,0]=4 1229 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,0,2|2,0,0]=4 1230 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 1231 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,0,2|2,0,0]=4 1232 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 1233 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,0,2|2,0,0]=4 1234 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,0,2|2,0,0]=4 1235 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 1236 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 1237 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,0,2|2,0,0]=4 1238 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,0,2|2,0,0]=4 1239 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,0,2|2,0,0]=4 1240 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,0,2|2,0,0]=4 1241 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,0,0,0,0,2|2,0,0]=4 1242 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,0,0,0,0,2|2,0,0]=4 1243 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,2|1,0,0]=3 1244 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,2|1,0,0]=3 1245 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,0,0,0,0,2|1,0,1]=4 1246 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,0,0,0,0,2|1,0,1]=4 1247 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,0,0,0,0,2|1,0,1]=4 1248 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,0,0,0,0,2|1,0,1]=4 1249 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,0,2|1,0,0]=3 1250 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,0,0,0,0,2|0,0,2]=4 1251 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,0,0,0,0,2|0,0,2]=4 1252 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,0,0,0,0,2|0,0,2]=4 1253 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,0,0,0,0,2|0,0,2]=4 1254 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,0,0,0,0,2|0,0,2]=4 1255 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,0,2|1,0,0]=3 1256 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,0,2|1,0,0]=3