0 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,0,0,0,0|0,0,4]=4 7 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|0,0,4]=4 23 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,0,0,0,0,0|1,0,2]=3 37 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,0,0,0,0|0,0,4]=4 38 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,0,0,0,0|0,0,4]=4 39 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,0,0,0,0|0,0,4]=4 50 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,0,0,0,0|4,0,0]=4 61 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|0,0,4]=4 64 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,0,0,0,0|1,0,3]=4 65 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,0,0,0,0|1,0,3]=4 66 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,0,0,0,0|1,0,2]=3 67 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,0,0,0,0|1,0,2]=3 68 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,0,0,0,0|1,0,2]=3 69 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,0,0,0,0|1,0,2]=3 70 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,0,0,0,0|1,0,2]=3 71 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,0,0,0,0|1,0,2]=3 72 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,0,0,0,0|1,0,2]=3 73 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,0,0,0,0|1,0,2]=3 74 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,0,0,0,0|1,0,2]=3 75 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,0,0,0,0|1,0,2]=3 76 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,0,0,0,0|1,0,2]=3 77 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,0,0,0,0|1,0,2]=3 78 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|2,0,0]=2 81 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|2,0,0]=2 82 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|2,0,0]=2 83 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|2,0,0]=2 84 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|2,0,0]=2 88 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|2,0,0]=2 90 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|1,0,0]=1 94 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|1,0,0]=1 95 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|1,0,0]=1 96 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|1,0,0]=1 97 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|1,0,0]=1 98 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|1,0,0]=1 99 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|1,0,0]=1 100 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|1,0,0]=1 101 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|1,0,0]=1 102 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|1,0,0]=1 103 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|0,0,2]=2 104 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|0,0,2]=2 105 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|1,0,2]=3 106 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|1,0,2]=3 107 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|1,0,2]=3 108 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|1,0,2]=3 109 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|1,0,2]=3 110 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|1,0,2]=3 111 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|2,0,0]=2 112 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|2,0,0]=2 113 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|2,0,0]=2 114 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|2,0,0]=2 115 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|2,0,0]=2 116 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|2,0,0]=2 117 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|2,0,0]=2 118 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|2,0,0]=2 119 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|2,0,0]=2 120 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|2,0,0]=2 121 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|2,0,0]=2 124 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|2,0,0]=2 125 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|2,0,0]=2 126 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|2,0,0]=2 127 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|2,0,0]=2 128 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|2,0,0]=2 129 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|2,0,0]=2 130 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|2,0,0]=2 131 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|2,0,0]=2 132 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|2,0,0]=2 134 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,0,0,0,0,0|3,0,1]=4 136 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,0,0,0,0,0|3,0,1]=4 138 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,0,0,0,0|3,0,1]=4 139 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,0,0,0,0|3,0,1]=4 140 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,0,0,0,0|3,0,0]=3 141 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,0,0,0,0|3,0,0]=3 142 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,0,0,0,0|3,0,0]=3 143 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,0,0,0,0|3,0,0]=3 145 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,0,0,0,0|3,0,0]=3 146 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,0,0,0,0|3,0,0]=3 147 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,0,0,0,0|3,0,0]=3 148 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|3,0,0]=3 149 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|3,0,0]=3 151 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|3,0,0]=3 152 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,0,0,0,0|3,0,0]=3 154 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|1,0,2]=3 155 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|1,0,2]=3 156 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|1,0,2]=3 157 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|2,0,2]=4 158 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|2,0,2]=4 159 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|2,0,2]=4 160 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|2,0,2]=4 161 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|2,0,2]=4 162 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|2,0,2]=4 163 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|2,0,2]=4 164 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|2,0,2]=4 165 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|2,0,0]=2 169 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,0,0,0,0|3,0,0]=3 170 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,0,0,0,0|3,0,0]=3 171 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,0,0,0,0|3,0,1]=4 172 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|2,0,0]=2 173 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|2,0,0]=2 174 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,0,0,0,0|3,0,0]=3 175 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,0,0,0,0|3,0,0]=3 176 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,0,0,0,0|3,0,0]=3 177 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,0,0,0,0|3,0,0]=3 178 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|2,0,0]=2 181 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|2,0,0]=2 182 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,0,0,0,0|3,0,0]=3 183 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|3,0,0]=3 184 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|3,0,0]=3 185 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,0,0,0,0|3,0,0]=3 188 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,0,0,0,0|3,0,0]=3 189 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|2,0,0]=2 190 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|2,0,0]=2 191 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|2,0,0]=2 192 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|2,0,0]=2 193 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|2,0,0]=2 194 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|2,0,0]=2 195 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|2,0,0]=2 196 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|2,0,0]=2 197 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|2,0,0]=2 198 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|2,0,0]=2 199 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,0,0,0,0,0|4,0,0]=4 200 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,0,0,0,0|2,0,2]=4 201 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,0,0,0,0|2,0,2]=4 202 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,0,0,0,0|2,0,2]=4 203 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,0,0,0,0|2,0,2]=4 204 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,0,0,0,0|2,0,2]=4 205 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,0,0,0,0|2,0,2]=4 206 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,0,0,0,0|2,0,2]=4 207 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,0,0,0,0|2,0,2]=4 208 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,0,0,0,0|2,0,2]=4 209 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,0,0,0,0|2,0,2]=4 210 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,0,0,0,0|2,0,2]=4 211 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,0,0,0,0|2,0,2]=4 212 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,0,0,0,0|2,0,2]=4 213 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,0,0,0,0|2,0,2]=4 214 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,0,0,0,0|2,0,2]=4 215 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,0,0,0,0|2,0,2]=4 216 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,0,0,0,0|2,0,2]=4 217 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,0,0,0,0,0|3,0,1]=4 218 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,0,0,0,0,0|3,0,1]=4 219 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,0,0,0,0|3,0,0]=3 220 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,0,0,0,0|3,0,0]=3 221 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,0,0,0,0|3,0,0]=3 222 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,0,0,0,0|3,0,0]=3 223 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,0,0,0,0|3,0,0]=3 224 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,0,0,0,0|3,0,0]=3 225 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,0,0,0,0|3,0,0]=3 226 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,0,0,0,0|3,0,0]=3 227 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,0,0,0,0|2,0,2]=4 228 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,0,0,0,0|2,0,2]=4 229 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,0,0,0,0|2,0,2]=4 230 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,0,0,0,0|2,0,2]=4 231 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,0,0,0,0|2,0,2]=4 232 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,0,0,0,0|2,0,2]=4 233 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,0,0,0,0|2,0,2]=4 234 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,0,0,0,0|3,0,0]=3 235 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,0,0,0,0,0|2,0,0]=2 236 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,0,0,0,0,0|2,0,0]=2 237 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,0,0,0,0,0|2,0,0]=2 238 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,0,0,0,0|3,0,0]=3 239 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,0,0,0,0|3,0,0]=3 240 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,0,0,0,0|3,0,0]=3 241 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,0,0,0,0|3,0,0]=3 242 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,0,0,0,0,0|3,0,0]=3 243 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,0,0,0,0,0|2,0,0]=2 244 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,0,0,0,0,0|2,0,0]=2 245 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,0,0,0,0,0|2,0,0]=2 246 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,0,0,0,0,0|2,0,0]=2 247 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,0,0,0,0,0|2,0,0]=2 248 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,0,0,0,0,0|2,0,0]=2 249 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,0,0,0,0,0|2,0,0]=2 250 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,0,0,0,0,0|3,0,1]=4 251 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,0,0,0,0|3,0,0]=3 252 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,0,0,0,0|3,0,0]=3 253 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,0,0,0,0|3,0,0]=3 254 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,0,0,0,0|2,0,2]=4 255 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,0,0,0,0|2,0,2]=4 256 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,0,0,0,0|2,0,2]=4 257 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,0,0,0,0|2,0,2]=4 258 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,0,0,0,0|3,0,0]=3 259 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,0,0,0,0|3,0,0]=3 260 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,0,0,0,0|3,0,0]=3 261 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,0,0,0,0,0|4,0,0]=4 262 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,0,0,0,0,0|4,0,0]=4 263 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,0,0,0,0|2,0,2]=4 264 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,0,0,0,0|2,0,2]=4 265 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,0,0,0,0|3,0,0]=3 266 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,0,0,0,0|3,0,0]=3 267 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,0,0,0,0|3,0,0]=3 268 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,0,0,0,0|3,0,0]=3 269 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,0,0,0,0|3,0,0]=3 270 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,0,0,0,0|3,0,0]=3 271 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,0,0,0,0|3,0,0]=3 272 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,0,0,0,0,0|3,0,0]=3 273 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,0,0,0,0,0|2,0,0]=2 274 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,0,0,0,0|3,0,0]=3 275 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,0,0,0,0|3,0,0]=3 276 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,0,0,0,0|3,0,0]=3 277 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,0,0,0,0|3,0,0]=3 278 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,0,0,0,0,0|2,0,0]=2 279 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,0,0,0,0,0|2,0,0]=2 280 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,0,0,0,0,0|3,0,0]=3 281 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,0,0,0,0|3,0,0]=3 282 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,0,0,0,0,0|3,0,1]=4 283 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,0,0,0,0,0|3,0,1]=4 284 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,0,0,0,0|3,0,0]=3 285 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,0,0,0,0|3,0,0]=3 286 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,0,0,0,0|2,0,2]=4 287 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,0,0,0,0,0|2,0,0]=2 288 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,0,0,0,0,0|2,0,0]=2 289 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,0,0,0,0|3,0,0]=3 290 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,0,0,0,0|3,0,0]=3 291 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,0,0,0,0,0|2,0,0]=2 292 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,0,0,0,0,0|2,0,0]=2 293 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,0,0,0,0,0|2,0,0]=2 294 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,0,0,0,0,0|2,0,0]=2 295 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,0,0,0,0,0|3,0,1]=4 296 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,0,0,0,0|3,0,0]=3 297 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,0,0,0,0|3,0,0]=3 298 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,0,0,0,0|3,0,0]=3 299 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,0,0,0,0|3,0,0]=3 300 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,0,0,0,0,0|4,0,0]=4 301 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,0,0,0,0,0|4,0,0]=4 302 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,0,0,0,0|2,0,2]=4 303 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,0,0,0,0|2,0,2]=4 304 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,0,0,0,0|2,0,2]=4 305 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,0,0,0,0,0|3,0,0]=3 306 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,0,0,0,0,0|2,0,0]=2 307 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,0,0,0,0,0|3,0,0]=3 308 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,0,0,0,0,0|3,0,0]=3 309 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,0,0,0,0,0|2,0,0]=2 310 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,0,0,0,0,0|2,0,0]=2 311 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,0,0,0,0,0|2,0,0]=2 312 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,0,0,0,0,0|2,0,0]=2 313 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,0,0,0,0,0|2,0,0]=2 314 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,0,0,0,0,0|2,0,0]=2 315 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,2]=4 326 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,2]=4 327 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,2]=4 328 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,2]=4 329 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,0,0,0,0|2,0,0]=3 330 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 331 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|2,0,0]=3 332 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|2,0,0]=3 333 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|2,0,0]=3 334 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|2,0,0]=3 335 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|3,0,0]=4 336 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|3,0,0]=4 337 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|3,0,0]=4 338 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|3,0,0]=4 339 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,0,0,0,0|2,0,0]=3 340 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|1,0,0]=2 341 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|1,0,0]=2 342 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|1,0,0]=2 343 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|1,0,0]=2 344 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,2]=3 345 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,2]=3 346 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,2]=3 347 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 348 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 349 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|2,0,0]=3 350 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|2,0,0]=3 351 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 352 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|2,0,0]=3 353 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,2]=4 354 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,2]=4 355 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,2]=4 356 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|2,0,0]=3 357 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|2,0,0]=3 358 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|2,0,0]=3 359 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,0]=3 360 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,0]=3 361 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,0]=3 362 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,0]=3 363 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 364 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|3,0,0]=4 366 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|3,0,0]=4 367 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|3,0,0]=4 369 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|3,0,0]=4 370 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|3,0,0]=4 371 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,1]=4 372 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 373 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|2,0,0]=3 375 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|2,0,0]=3 377 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|2,0,0]=3 378 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|1,0,0]=2 379 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|1,0,0]=2 380 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|1,0,0]=2 381 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|1,0,0]=2 382 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|1,0,0]=2 383 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,0,0,0,0,0|3,0,0]=4 384 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,0,0,0,0,0|3,0,0]=4 385 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,0,0,0,0,0|3,0,0]=4 386 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,0,0,0,0,0|3,0,0]=4 387 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|1,0,0]=2 388 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|1,0,0]=2 389 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|1,0,0]=2 390 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,2]=4 391 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,2]=4 392 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,2]=4 393 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,0,0,0,0|2,0,0]=3 394 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|2,0,0]=3 395 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|2,0,0]=3 396 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,0,0,0,0|2,0,0]=3 397 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|1,0,0]=2 398 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,0,0,0,0,0|3,0,0]=4 399 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,0,0,0,0,0|3,0,0]=4 400 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 401 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|3,0,0]=4 402 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,0,0,0,0|2,0,0]=3 403 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,0,0,0,0|2,0,0]=3 404 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|1,0,0]=2 405 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,2]=4 406 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,2]=4 407 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|2,0,0]=3 408 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|2,0,0]=3 409 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|1,0,0]=2 410 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|1,0,0]=2 411 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,0,0,0,0,0|3,0,0]=4 413 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 414 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|3,0,0]=4 415 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|1,0,0]=2 416 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|1,0,0]=2 417 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,0,0,0,0|2,0,0]=3 418 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,0,0,0,0|2,0,0]=3 419 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|1,0,0]=2 420 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|1,0,0]=2 421 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,2]=4 422 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,0,0,0,0,0|3,0,0]=4 424 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,0,0,0,0,0|3,0,0]=4 427 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|1,0,2]=4 428 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|1,0,2]=4 429 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|1,0,2]=4 430 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|1,0,2]=4 431 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|1,0,2]=4 432 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|1,0,2]=4 433 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|1,0,2]=4 434 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|1,0,2]=4 435 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|1,0,2]=4 436 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|1,0,2]=4 437 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|1,0,2]=4 438 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|1,0,2]=4 439 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|1,0,2]=4 440 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|1,0,2]=4 441 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|1,0,2]=4 442 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|1,0,2]=4 443 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|1,0,2]=4 444 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|1,0,2]=4 445 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|1,0,2]=4 446 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,0,2]=4 447 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,0,2]=4 448 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,0,2]=4 449 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|1,0,2]=4 450 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|1,0,2]=4 451 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|1,0,2]=4 452 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|1,0,2]=4 453 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|1,0,2]=4 454 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|1,0,2]=4 455 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|1,0,2]=4 456 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|1,0,2]=4 457 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|1,0,2]=4 458 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|1,0,2]=4 459 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|1,0,2]=4 460 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|1,0,2]=4 461 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|1,0,2]=4 462 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|1,0,2]=4 463 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|1,0,2]=4 464 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|1,0,2]=4 465 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,2]=4 466 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,2]=4 467 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|1,0,2]=4 468 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|1,0,2]=4 469 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|1,0,2]=4 470 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|1,0,2]=4 471 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [1,0,0,0,0,0|1,0,2]=4 472 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [1,0,0,0,0,0|1,0,2]=4 473 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [1,0,0,0,0,0|1,0,2]=4 474 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [1,0,0,0,0,0|1,0,2]=4 475 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [1,0,0,0,0,0|1,0,2]=4 476 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [1,0,0,0,0,0|1,0,2]=4 477 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [1,0,0,0,0,0|1,0,2]=4 478 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,0,0,0,0,0|1,0,2]=4 479 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,0,0,0,0,0|1,0,2]=4 480 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,0,0,0,0,0|1,0,2]=4 481 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,0,0,0,0,0|1,0,2]=4 482 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,0,0,0,0,0|1,0,2]=4 483 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,0,0,0,0,0|1,0,2]=4 484 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,0,0,0,0,0|1,0,2]=4 485 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|1,0,2]=4 486 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|1,0,2]=4 487 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|1,0,2]=4 488 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,0,2]=4 489 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|1,0,2]=4 490 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|1,0,2]=4 491 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|1,0,2]=4 492 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|1,0,2]=4 493 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 494 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|1,0,0]=2 495 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|1,0,0]=2 496 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|1,0,0]=2 497 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|1,0,0]=2 498 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|1,0,0]=2 499 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|1,0,0]=2 500 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|1,0,0]=2 501 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,0,0]=2 502 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,0,0]=2 503 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,0,0]=2 504 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,0,0]=2 505 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,0,0]=2 506 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,0,0]=2 507 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,0,0]=2 508 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,0,0]=2 509 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,0,0]=2 510 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,0]=2 511 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|1,0,0]=2 512 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|1,0,0]=2 513 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,0]=3 514 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|1,0,0]=2 515 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|1,0,0]=2 516 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,0]=3 517 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,0]=3 518 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 519 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,1]=4 520 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,0]=3 521 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,0]=3 522 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|2,0,0]=3 523 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|2,0,0]=3 524 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|2,0,0]=3 525 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,0]=3 526 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,0]=3 527 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,0,1]=4 528 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,0]=3 529 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,0]=3 530 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,0]=3 531 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|2,0,0]=3 532 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|2,0,0]=3 533 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|2,0,0]=3 534 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|2,0,0]=3 535 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|2,0,0]=3 536 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|2,0,0]=3 537 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 538 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 539 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,1]=4 540 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,1]=4 541 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,0]=3 542 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,0]=3 543 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|2,0,0]=3 544 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|2,0,0]=3 545 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|2,0,0]=3 546 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|2,0,0]=3 547 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|2,0,0]=3 548 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|2,0,0]=3 549 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 550 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,0,0]=3 553 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,0,0]=3 554 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,0,0]=3 555 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,0,0]=3 556 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,0,0]=3 557 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,0,0]=3 558 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,0,0]=3 559 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|2,0,0]=3 560 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|2,0,0]=3 561 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|2,0,0]=3 562 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|2,0,0]=3 563 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|2,0,0]=3 564 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|2,0,0]=3 565 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|2,0,0]=3 566 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|2,0,0]=3 567 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,0,0]=3 568 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,0]=3 569 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,0,0]=3 570 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,0,0]=3 571 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,0]=3 572 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|2,0,0]=3 573 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|2,0,0]=3 574 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|2,0,0]=3 576 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|3,0,0]=4 577 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|2,0,0]=3 578 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|2,0,0]=3 580 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|2,0,0]=3 581 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|2,0,0]=3 582 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|2,0,0]=3 583 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|2,0,0]=3 584 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|2,0,0]=3 585 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,0,0,0,0,0|3,0,0]=4 586 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,0,0,0,0,0|3,0,0]=4 587 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|2,0,1]=4 588 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|2,0,1]=4 589 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,0,0]=3 590 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,0,0]=3 591 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|2,0,0]=3 592 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|2,0,0]=3 593 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|2,0,0]=3 594 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|2,0,0]=3 595 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|2,0,0]=3 596 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|2,0,0]=3 597 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|2,0,0]=3 598 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|2,0,0]=3 599 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|2,0,0]=3 600 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,0,0,0,0,0|3,0,0]=4 601 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,0,0,0,0,0|3,0,0]=4 602 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,0,0,0,0,0|3,0,0]=4 603 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,0,0,0,0,0|3,0,0]=4 604 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,0,0,0,0,0|3,0,0]=4 605 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,0,0,0,0|3,0,0]=4 606 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,0,0,0,0|3,0,0]=4 607 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,0,0,0,0|3,0,0]=4 608 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|3,0,0]=4 609 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|3,0,0]=4 610 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,0,0]=3 611 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,0,0]=3 612 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,0,0]=3 613 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,0]=3 614 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,0,0]=3 615 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,0]=3 616 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|3,0,0]=4 617 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|2,0,1]=4 618 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|2,0,1]=4 619 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,0,0]=3 620 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,0,0]=3 621 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|2,0,0]=3 622 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|2,0,0]=3 623 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 624 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|3,0,0]=4 625 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|3,0,0]=4 626 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|3,0,0]=4 627 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|0,0,2]=3 628 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|1,0,2]=4 629 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,2]=4 630 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,2]=4 631 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,2]=4 632 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,2]=4 633 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,2]=4 634 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,0]=3 635 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 636 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,0]=3 637 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 638 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,0]=3 639 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|2,0,0]=3 640 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|2,0,0]=3 641 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|2,0,0]=3 642 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|2,0,0]=3 643 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|2,0,0]=3 644 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|2,0,0]=3 645 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|2,0,0]=3 646 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,0]=3 647 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,0]=3 648 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,0]=3 649 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,0]=3 650 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,0]=3 651 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|3,0,0]=4 652 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,0]=3 653 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,0]=3 654 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,0]=3 655 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|3,0,0]=4 656 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|3,0,0]=4 657 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|3,0,0]=4 658 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|3,0,0]=4 659 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 660 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|3,0,0]=4 661 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|3,0,0]=4 662 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|3,0,0]=4 663 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|3,0,0]=4 664 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|3,0,0]=4 665 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|3,0,0]=4 666 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|3,0,0]=4 667 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|3,0,0]=4 668 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|3,0,0]=4 669 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|3,0,0]=4 670 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|3,0,0]=4 672 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|3,0,0]=4 673 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|0,0,3]=4 674 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|2,0,1]=4 675 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|2,0,1]=4 676 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|2,0,1]=4 677 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|2,0,1]=4 678 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|2,0,1]=4 681 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,1,0,0,0,0|1,0,2]=4 683 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|1,0,2]=4 685 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|1,0,2]=4 686 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,0,0,0,0|2,0,0]=3 687 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,0,0,0,0|2,0,0]=3 689 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,0,0,0,0|2,0,0]=3 690 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,0,0,0,0|2,0,0]=3 691 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,1,0,0,0,0|3,0,0]=4 692 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,0,0,0,0|3,0,0]=4 696 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,0,0,0,0|3,0,0]=4 697 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,0,0,0,0|3,0,0]=4 700 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,0,0,0,0|3,0,0]=4 701 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,0,0,0,0|3,0,0]=4 702 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|1,0,2]=4 705 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,1,0,0,0,0|3,0,0]=4 706 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|0,0,3]=4 707 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|0,0,2]=3 708 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|0,0,2]=3 709 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|0,0,2]=3 710 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,0,0,0,0|1,0,2]=4 711 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|1,0,2]=4 712 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|1,0,2]=4 713 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|0,0,2]=3 714 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|1,0,2]=4 715 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 716 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 717 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 718 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,2]=4 719 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,1]=3 720 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,1]=3 721 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,1]=3 722 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,0|2,0,0]=3 723 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,0|2,0,0]=3 724 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,0|2,0,0]=3 725 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,0|2,0,0]=3 726 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,0|2,0,0]=3 727 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,0|2,0,0]=3 728 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,0|2,0,0]=3 729 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 732 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|2,0,1]=4 733 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,0|2,0,0]=3 734 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,0|2,0,0]=3 735 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,0|2,0,0]=3 736 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,0,0,0,0|2,0,0]=3 737 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,0,0,0,0|2,0,0]=3 738 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,0,0,0,0|2,0,0]=3 739 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,0,0,0,0|2,0,0]=3 740 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|0,0,1]=2 741 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|0,0,1]=2 742 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|0,0,1]=2 743 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,1,0,0,0,0|1,0,0]=2 744 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,1,0,0,0,0|1,0,0]=2 745 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,0,0,0,0|2,0,0]=3 748 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,0,0,0,0|2,0,0]=3 749 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,0,0,0,0|2,0,0]=3 750 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,0,0,0,0|2,0,0]=3 751 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,0,0,0,0|2,0,0]=3 752 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,0,0,0,0|2,0,0]=3 753 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,0,0,0,0|2,0,0]=3 754 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,0,0,0,0|2,0,0]=3 755 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,0,0,0,0|2,0,0]=3 756 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,0,0,0,0|2,0,0]=3 757 B7R0.2 CCN(C)CC(F)F 2230a_100000225621_100011934356 [0,1,0,0,0,0|3,0,0]=4 758 B7R0.2 CCN(C)CC(F)F 269982a_100000225621_100011934356 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,0,0,0,0|2,0,0]=3 760 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,0,0,0,0|2,0,0]=3 761 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,0,0,0,0|2,0,0]=3 762 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,0,0,0,0|2,0,0]=3 763 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,0,0,0,0|2,0,0]=3 764 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,0,0,0,0|2,0,0]=3 765 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,0,0,0,0|2,0,0]=3 766 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,0,0,0,0|2,0,0]=3 767 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,1]=3 768 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,0|2,0,0]=3 769 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,0|2,0,0]=3 770 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,1,0,0,0,0|2,0,0]=3 771 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,1,0,0,0,0|2,0,0]=3 772 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,1,0,0,0,0|2,0,0]=3 773 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,1,0,0,0,0|2,0,0]=3 774 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,1,0,0,0,0|2,0,0]=3 775 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,1,0,0,0,0|2,0,0]=3 776 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,1,0,0,0,0|2,0,0]=3 777 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|1,0,2]=4 778 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 779 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 780 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 781 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|1,0,2]=4 782 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,0,0,0,0|2,0,0]=3 784 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,0,0,0,0|2,0,0]=3 785 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,0,0,0,0|2,0,0]=3 788 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,0,0,0,0|2,0,0]=3 789 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,0,0,0,0|3,0,0]=4 790 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,0,0,0,0|3,0,0]=4 791 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,0,0,0,0|3,0,0]=4 794 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,0,0,0,0|3,0,0]=4 795 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,1,0,0,0,0|3,0,0]=4 796 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,1,0,0,0,0|3,0,0]=4 797 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|1,0,2]=4 798 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,1,0,0,0,0|1,0,2]=4 799 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,1,0,0,0,0|1,0,2]=4 800 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,1,0,0,0,0|1,0,2]=4 801 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,1,0,0,0,0|1,0,2]=4 802 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|0,0,3]=4 803 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|0,0,3]=4 804 B7R0.3 C#CCCN(C)CC 2230a_100000225621_100000688953 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.3 C#CCCN(C)CC 269982a_100000225621_100000730999 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,0,0,0,0|1,0,2]=4 807 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,0,0,0,0|1,0,2]=4 808 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,0,0,0,0|1,0,2]=4 809 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,0,0,0,0|1,0,2]=4 810 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,1,0,0,0,0|1,0,2]=4 811 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,1,0,0,0,0|1,0,2]=4 812 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,1,0,0,0,0|1,0,2]=4 813 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|0,0,3]=4 814 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,0,0,0,0|1,0,2]=4 816 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,0,0,0,0|1,0,2]=4 817 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,0,0,0,0|1,0,2]=4 818 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,0,0,0,0|1,0,2]=4 819 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,1,0,0,0,0|0,0,2]=3 820 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,0,0,0,0|0,0,2]=3 821 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,1,0,0,0,0|0,0,2]=3 822 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,1,0,0,0,0|0,0,2]=3 823 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,1,0,0,0,0|1,0,2]=4 824 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,1,0,0,0,0|1,0,2]=4 825 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|0,0,3]=4 826 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|0,0,3]=4 827 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|2,0,1]=4 828 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|2,0,1]=4 830 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 831 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|2,0,1]=4 832 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,1,0,0,0,0|2,0,1]=4 833 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|1,0,2]=4 837 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|1,0,2]=4 838 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|1,0,2]=4 839 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|1,0,2]=4 840 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|1,0,2]=4 841 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|1,0,2]=4 842 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,0,0,0,0|1,0,2]=4 843 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,0,0,0,0|0,0,3]=4 844 B7R0.3 CC#CCN(C)CC 2230a_100000225621_100000748600 [0,1,0,0,0,0|2,0,1]=4 845 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 846 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,0,0,0,0|3,0,0]=4 848 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,0,0,0,0|3,0,0]=4 849 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,0,0,0,0|3,0,0]=4 850 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,0,0,0,0|3,0,0]=4 851 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,1,0,0,0,0|3,0,0]=4 852 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|3,0,0]=4 853 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|3,0,0]=4 854 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,0,0,0,0|2,0,0]=3 855 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,1,0,0,0,0|3,0,0]=4 857 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,0,0,0,0|3,0,0]=4 858 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,0,0,0,0|3,0,0]=4 859 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,0,0,0,0|3,0,0]=4 860 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,0,0,0,0|3,0,0]=4 861 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|3,0,0]=4 862 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,0,0,0,0|3,0,0]=4 863 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,0,0,0,0|3,0,0]=4 864 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|0,0,3]=4 865 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|0,0,3]=4 866 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|0,0,3]=4 869 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,1,0,0,0,0|2,0,1]=4 870 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,1,0,0,0,0|2,0,1]=4 871 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|0,0,3]=4 874 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|0,0,3]=4 875 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|0,0,2]=3 876 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|0,0,2]=3 877 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|0,0,2]=3 878 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|0,0,2]=3 879 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|0,0,2]=3 880 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|0,0,2]=3 881 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|1,0,2]=4 882 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|1,0,2]=4 883 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|1,0,2]=4 884 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 885 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 886 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 887 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|1,0,2]=4 888 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,2]=4 889 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,2]=4 890 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|1,0,0]=2 891 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|1,0,0]=2 892 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|1,0,0]=2 893 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|1,0,0]=2 894 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,0,0,0,0|2,0,0]=3 895 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,0,0,0,0|2,0,1]=4 897 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|2,0,0]=3 899 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|2,0,0]=3 900 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|2,0,0]=3 901 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|2,0,0]=3 902 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|2,0,0]=3 903 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|2,0,0]=3 904 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|2,0,0]=3 905 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,0,0,0,0|2,0,1]=4 906 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|2,0,1]=4 907 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|2,0,0]=3 908 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|2,0,0]=3 909 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|2,0,0]=3 910 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|2,0,0]=3 911 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|2,0,1]=4 915 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|2,0,0]=3 916 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|2,0,0]=3 917 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|2,0,0]=3 918 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|2,0,0]=3 919 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|2,0,0]=3 920 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|2,0,0]=3 921 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|2,0,0]=3 922 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|2,0,0]=3 923 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,1,0,0,0,0|1,0,0]=2 924 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,1,0,0,0,0|1,0,0]=2 925 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|0,0,3]=4 926 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|0,0,2]=3 927 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|0,0,2]=3 928 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|1,0,2]=4 929 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|1,0,2]=4 930 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|1,0,2]=4 931 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|1,0,2]=4 932 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|1,0,2]=4 933 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|1,0,2]=4 934 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|2,0,0]=3 935 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|2,0,0]=3 938 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|2,0,0]=3 940 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|2,0,0]=3 945 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|2,0,0]=3 946 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|2,0,0]=3 947 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|2,0,0]=3 948 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|2,0,0]=3 949 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|2,0,0]=3 950 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|2,0,0]=3 951 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|2,0,0]=3 952 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|2,0,0]=3 953 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|2,0,0]=3 954 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|2,0,0]=3 955 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|2,0,0]=3 957 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|2,0,0]=3 958 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 959 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 960 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 961 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 962 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|1,0,2]=4 963 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|1,0,2]=4 964 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|1,0,2]=4 965 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|1,0,2]=4 966 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|1,0,2]=4 967 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|1,0,2]=4 968 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|1,0,2]=4 969 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|1,0,2]=4 970 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|1,0,0]=2 972 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|1,0,0]=2 975 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|1,0,0]=2 976 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,0,0,0,0|2,0,0]=3 977 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,0,0,0,0|2,0,0]=3 978 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,0,0,0,0|2,0,0]=3 979 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|2,0,0]=3 980 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,1,0,0,0,0|2,0,1]=4 981 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|1,0,0]=2 983 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|1,0,0]=2 984 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|2,0,0]=3 985 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,0,0,0,0|2,0,0]=3 986 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,0,0,0,0|2,0,0]=3 987 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,1,0,0,0,0|2,0,1]=4 988 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|2,0,0]=3 990 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|2,0,0]=3 991 B7R0.3 CCN(C)CCC#N 2230a_100000184479_100000210202 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.3 CCN(C)CCC#N 2230a_100000225621_100011215226 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.3 CCN(C)CCC#N 2230a_100000226048_200000210301 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.3 CCN(C)CCC#N 269982a_100000225621_100011215226 [0,1,0,0,0,0|2,0,1]=4 995 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,0,0,0,0|2,0,0]=3 996 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,0,0,0,0|2,0,0]=3 997 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,0,0,0,0|2,0,0]=3 998 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,0,0,0,0|2,0,0]=3 999 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,0,0,0,0|2,0,0]=3 1000 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,0,0,0,0|2,0,0]=3 1001 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,0,0,0,0|2,0,0]=3 1002 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,0,0,0,0|2,0,0]=3 1003 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,0,0,0,0|2,0,0]=3 1004 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,0,0,0,0|2,0,0]=3 1005 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,0,0,0,0|2,0,0]=3 1006 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,0,0,0,0|2,0,0]=3 1007 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,0,0,0,0|2,0,0]=3 1008 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,0,0,0,0|2,0,0]=3 1009 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,0,0,0,0|2,0,0]=3 1010 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,0,0,0,0|2,0,0]=3 1011 B7R0.3 CCN([13CH3])CCC#N 2230a_100000226048_200025704644 [0,1,0,0,0,0|2,0,1]=4 1012 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,0,0,0,0|2,0,0]=3 1013 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,0,0,0,0|2,0,0]=3 1014 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|1,0,2]=4 1015 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|1,0,2]=4 1016 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|1,0,2]=4 1017 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|1,0,0]=2 1018 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|1,0,0]=2 1019 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|1,0,0]=2 1020 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,0,0,0,0|2,0,0]=3 1021 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|0,0,0]=1 1022 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|0,0,0]=1 1023 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,0,0,0,0|1,0,0]=2 1024 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|1,0,0]=2 1025 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,0,0,0,0|2,0,0]=3 1026 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,0,0,0,0|2,0,0]=3 1027 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,0,0,0,0|2,0,0]=3 1028 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,0,0,0,0|1,0,0]=2 1029 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,0,0,0,0|1,0,0]=2 1030 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,0,0,0,0|1,0,0]=2 1031 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|1,0,2]=4 1032 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|0,0,2]=3 1033 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|0,0,2]=3 1034 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|1,0,2]=4 1035 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|1,0,2]=4 1036 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|1,0,2]=4 1037 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|1,0,2]=4 1038 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|1,0,2]=4 1039 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|1,0,2]=4 1040 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|1,0,2]=4 1041 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|1,0,2]=4 1042 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|1,0,0]=2 1043 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,0,0,0,0|2,0,0]=3 1045 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,0,0,0,0|2,0,0]=3 1046 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,0,0,0,0|2,0,0]=3 1047 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,0,0,0,0|2,0,0]=3 1048 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,0,0,0,0|2,0,0]=3 1050 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|0,0,0]=1 1051 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,1,0,0,0,0|1,0,0]=2 1052 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,0,0,0,0|2,0,0]=3 1053 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|1,0,0]=2 1054 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|1,0,0]=2 1055 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,0,0,0,0|2,0,0]=3 1056 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,1,0,0,0,0|1,0,0]=2 1057 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,1,0,0,0,0|1,0,0]=2 1058 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,1,0,0,0,0|2,0,0]=3 1059 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|0,0,2]=3 1060 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|0,0,2]=3 1061 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|0,0,2]=3 1062 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|1,0,2]=4 1063 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|1,0,2]=4 1064 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|1,0,2]=4 1065 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|1,0,2]=4 1066 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|1,0,2]=4 1067 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|1,0,2]=4 1068 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|1,0,2]=4 1069 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|1,0,2]=4 1070 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|1,0,2]=4 1071 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|1,0,0]=2 1072 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|1,0,0]=2 1073 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,0,0,0,0|2,0,0]=3 1074 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|0,0,0]=1 1075 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|0,0,0]=1 1076 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,1,0,0,0,0|1,0,0]=2 1077 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,1,0,0,0,0|1,0,0]=2 1078 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|1,0,0]=2 1079 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,0,0,0,0|2,0,0]=3 1081 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,0,0,0,0|2,0,0]=3 1082 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,1,0,0,0,0|1,0,0]=2 1084 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,1,0,0,0,0|1,0,0]=2 1085 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,1,0,0,0,0|1,0,0]=2 1086 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,0]=3 1087 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,0,0,0,0|2,0,0]=3 1088 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,0,0,0,0|2,0,0]=3 1089 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,1,0,0,0,0|3,0,0]=4 1090 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|1,0,2]=4 1091 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|1,0,2]=4 1092 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|1,0,2]=4 1093 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|1,0,2]=4 1094 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|1,0,2]=4 1095 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|1,0,2]=4 1096 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|1,0,2]=4 1097 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|1,0,2]=4 1098 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|1,0,2]=4 1099 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|1,0,2]=4 1100 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|1,0,2]=4 1101 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|1,0,2]=4 1102 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|1,0,2]=4 1103 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|1,0,2]=4 1104 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|1,0,2]=4 1105 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|1,0,2]=4 1106 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|1,0,2]=4 1107 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,0,0,0,0|2,0,0]=3 1108 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,0,0,0,0|2,0,0]=3 1109 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|1,0,2]=4 1110 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|1,0,2]=4 1111 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|1,0,2]=4 1112 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|1,0,2]=4 1113 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|1,0,2]=4 1114 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|1,0,2]=4 1115 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|1,0,2]=4 1116 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|1,0,2]=4 1117 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,0,0,0,0|2,0,0]=3 1118 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,0,0,0,0|2,0,0]=3 1119 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|1,0,2]=4 1120 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|1,0,2]=4 1121 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|1,0,2]=4 1122 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|1,0,2]=4 1123 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 1124 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|2,0,0]=3 1125 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,0,0,0,0|2,0,0]=3 1126 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,1,0,0,0,0|3,0,0]=4 1127 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,0,0,0,0|3,0,0]=4 1128 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,0,0,0,0|3,0,0]=4 1129 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,0,0,0,0|3,0,0]=4 1130 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,0,0,0,0|3,0,0]=4 1131 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,0,0,0,0|3,0,0]=4 1132 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,0,0,0,0|3,0,0]=4 1133 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|1,0,2]=4 1134 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|1,0,2]=4 1135 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|1,0,2]=4 1136 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,0,0,0,0|2,0,0]=3 1137 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,1,0,0,0,0|3,0,0]=4 1138 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,0,0,0,0|3,0,0]=4 1139 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,0,0,0,0|3,0,0]=4 1140 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,1,0,0,0,0|3,0,0]=4 1141 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,1,0,0,0,0|3,0,0]=4 1142 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,0,0,0,0|3,0,0]=4 1143 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,0,0,0,0|3,0,0]=4 1144 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|1,0,2]=4 1145 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|1,0,2]=4 1146 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1147 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|3,0,0]=4 1148 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,0,0,0,0|3,0,0]=4 1149 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,0,0,0,0|3,0,0]=4 1150 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,0,0,0,0|3,0,0]=4 1151 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,0,0,0,0|3,0,0]=4 1152 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,0,0,0,0|3,0,0]=4 1153 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,1,0,0,0,0|3,0,0]=4 1154 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,1,0,0,0,0|3,0,0]=4 1155 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,0,0,0,0|3,0,0]=4 1156 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,0,0,0,0|3,0,0]=4 1157 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,0,0,0,0|3,0,0]=4 1158 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,0,0,0,0|3,0,0]=4 1159 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,0,0,0,0|3,0,0]=4 1160 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,0,0,0,0|3,0,0]=4 1161 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,1,0,0,0,0|3,0,0]=4 1162 B7R0.3 NC[C@@H](F)COCF 34a_100015665980_100015361967 [0,1,0,0,0,0|3,0,0]=4 1163 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|1,0,2]=4 1164 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|1,0,2]=4 1165 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,1,0,0,0,0|2,0,0]=3 1166 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,1,0,0,0,0|2,0,0]=3 1167 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,1,0,0,0,0|3,0,0]=4 1168 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,1,0,0,0,0|2,0,0]=3 1169 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,1,0,0,0,0|2,0,0]=3 1170 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,1,0,0,0,0|2,0,0]=3 1171 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,1,0,0,0,0|2,0,0]=3 1172 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|0,0,3]=4 1173 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,1]=4 1174 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|2,0,1]=4 1175 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1177 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|1,0,2]=4 1178 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|1,0,2]=4 1179 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|1,0,2]=4 1180 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|1,0,2]=4 1181 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|1,0,2]=4 1182 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|3,0,0]=4 1183 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,1,0,0,0,0|1,0,0]=2 1184 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|1,0,0]=2 1185 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [0,1,0,0,0,0|3,0,0]=4 1186 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,1,0,0,0,0|3,0,0]=4 1187 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 1188 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,1,0,0,0,0|3,0,0]=4 1189 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,1,0,0,0,0|3,0,0]=4 1190 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,1,0,0,0,0|3,0,0]=4 1191 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 1192 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,1,0,0,0,0|3,0,0]=4 1193 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|2,0,0]=3 1194 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1195 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 1196 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1197 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 1198 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1199 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1200 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|1,0,2]=4 1201 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|1,0,2]=4 1202 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|0,0,2]=3 1203 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|0,0,2]=3 1204 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|0,0,2]=3 1205 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|1,0,2]=4 1206 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 1207 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 1208 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 1209 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 1210 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|0,0,2]=3 1211 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|0,0,2]=3 1212 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|1,0,1]=3 1213 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|1,0,1]=3 1214 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|1,0,1]=3 1215 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|2,0,0]=3 1216 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|2,0,0]=3 1217 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|2,0,0]=3 1218 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|2,0,1]=4 1219 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|2,0,1]=4 1220 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|2,0,1]=4 1221 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|2,0,1]=4 1222 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,0,0,0,0|2,0,0]=3 1223 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,0,0,0,0|2,0,0]=3 1224 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,0,0,0,0|2,0,0]=3 1225 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,0,0,0,0|2,0,0]=3 1226 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,0,0,0,0|2,0,0]=3 1227 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,0,0,0,0|2,0,0]=3 1228 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,0,0,0,0|2,0,0]=3 1229 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|0,0,1]=2 1230 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|0,0,1]=2 1231 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 1232 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 1233 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,2]=4 1234 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|1,0,2]=4 1235 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|1,0,2]=4 1236 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|1,0,2]=4 1237 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|1,0,2]=4 1238 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|1,0,2]=4 1239 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|2,0,1]=4 1240 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,0]=3 1241 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|2,0,1]=4 1242 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|2,0,1]=4 1243 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|2,0,1]=4 1244 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|2,0,0]=3 1245 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|2,0,1]=4 1246 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|2,0,1]=4 1247 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|2,0,1]=4 1248 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|2,0,1]=4 1249 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|1,0,2]=4 1250 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|1,0,2]=4 1251 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|1,0,2]=4 1252 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,1,0,0,0,0|1,0,0]=2 1253 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|1,0,0]=2 1254 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|1,0,2]=4 1255 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|1,0,2]=4 1256 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|2,0,1]=4 1257 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|2,0,1]=4 1258 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1259 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1260 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|2,0,1]=4 1261 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 1262 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 1263 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|3,0,0]=4 1264 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,1,0,0,0,0|3,0,0]=4 1265 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|1,0,2]=4 1267 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|1,0,2]=4 1268 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|1,0,2]=4 1269 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|2,0,1]=4 1270 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|2,0,1]=4 1271 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|3,0,0]=4 1272 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [0,1,0,0,0,0|3,0,0]=4 1273 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|1,0,2]=4 1274 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|1,0,2]=4 1275 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|1,0,2]=4 1276 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|1,0,2]=4 1277 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|0,0,3]=4 1278 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|0,0,3]=4 1279 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,0,0,0,0|1,0,2]=4 1280 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,0,0,0,0|1,0,2]=4 1281 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 1282 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,1,0,0,0,0|2,0,1]=4 1283 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 1284 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|1,0,2]=4 1285 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|0,0,3]=4 1286 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|0,0,3]=4 1287 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|1,0,2]=4 1288 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|1,0,2]=4 1289 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|1,0,2]=4 1290 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|1,0,2]=4 1291 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 1292 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 1293 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 1294 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 1295 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|1,0,2]=4 1296 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|1,0,2]=4 1297 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,0,0,0,0|1,0,2]=4 1298 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,0,0,0,0|1,0,2]=4 1299 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,0,0,0,0|0,0,3]=4 1300 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,0,0,0,0|1,0,2]=4 1301 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|2,0,0]=3 1303 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|3,0,0]=4 1304 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|3,0,0]=4 1305 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|0,0,3]=4 1306 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|0,0,3]=4 1307 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|0,0,3]=4 1308 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|0,0,2]=3 1309 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|0,0,2]=3 1310 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|0,0,2]=3 1311 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|0,0,2]=3 1312 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|0,0,2]=3 1313 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|0,0,2]=3 1314 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|0,0,2]=3 1315 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|0,0,2]=3 1316 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|0,0,2]=3 1317 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|0,0,2]=3 1318 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|0,0,2]=3 1319 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|0,0,2]=3 1320 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|0,0,2]=3 1321 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|0,0,2]=3 1322 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|0,0,2]=3 1323 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,0,0,0,0|1,0,2]=4 1324 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|1,0,0]=2 1325 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|1,0,0]=2 1326 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|1,0,0]=2 1327 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|1,0,0]=2 1328 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|1,0,0]=2 1329 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|1,0,0]=2 1330 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|1,0,0]=2 1331 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|1,0,0]=2 1332 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|1,0,0]=2 1333 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|1,0,0]=2 1334 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|1,0,0]=2 1335 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|1,0,0]=2 1336 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|1,0,0]=2 1337 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|1,0,0]=2 1338 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|1,0,0]=2 1339 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|1,0,0]=2 1340 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|1,0,0]=2 1341 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|1,0,0]=2 1342 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|1,0,0]=2 1343 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|2,0,0]=3 1344 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|2,0,0]=3 1345 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|1,0,0]=2 1346 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|1,0,0]=2 1347 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|2,0,0]=3 1348 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|2,0,0]=3 1349 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,1,0,0,0,0|2,0,1]=4 1350 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,1,0,0,0,0|2,0,1]=4 1351 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,1,0,0,0,0|2,0,1]=4 1352 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|2,0,1]=4 1353 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|2,0,1]=4 1354 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 1355 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 1356 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 1357 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 1358 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|2,0,0]=3 1359 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|2,0,0]=3 1360 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|2,0,0]=3 1361 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|2,0,0]=3 1362 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|2,0,0]=3 1363 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|2,0,0]=3 1364 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|2,0,0]=3 1365 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|2,0,0]=3 1366 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|2,0,0]=3 1367 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|2,0,0]=3 1368 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1369 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1370 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 1371 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 1372 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|2,0,0]=3 1373 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|2,0,0]=3 1374 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,0,0]=2 1375 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,0,0]=2 1376 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,2]=4 1377 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|1,0,2]=4 1378 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|1,0,2]=4 1379 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|1,0,2]=4 1380 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|1,0,2]=4 1381 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|1,0,2]=4 1382 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|1,0,2]=4 1383 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|1,0,2]=4 1384 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|1,0,2]=4 1385 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|1,0,2]=4 1386 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|1,0,2]=4 1387 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|1,0,2]=4 1388 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|1,0,2]=4 1389 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|1,0,2]=4 1390 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|1,0,2]=4 1391 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|1,0,2]=4 1392 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|1,0,2]=4 1393 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,0,0,0,0|1,0,2]=4 1394 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,0,0,0,0|1,0,2]=4 1395 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,0,0,0,0|1,0,2]=4 1396 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,0,0,0,0|2,0,1]=4 1397 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|2,0,0]=3 1398 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|2,0,0]=3 1399 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|2,0,0]=3 1400 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|2,0,0]=3 1401 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,0,0,0,0|2,0,1]=4 1402 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|2,0,0]=3 1403 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|2,0,0]=3 1404 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|2,0,0]=3 1405 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|1,0,2]=4 1406 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|1,0,2]=4 1407 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|1,0,2]=4 1408 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|1,0,2]=4 1409 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|1,0,2]=4 1410 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|1,0,2]=4 1411 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|1,0,2]=4 1412 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|1,0,2]=4 1413 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,0,0,0,0|2,0,0]=3 1414 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|2,0,0]=3 1415 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|2,0,0]=3 1416 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|2,0,0]=3 1417 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,0,0,0,0|2,0,1]=4 1418 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,0,0,0,0|2,0,1]=4 1419 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|2,0,0]=3 1420 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|2,0,0]=3 1421 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|2,0,0]=3 1422 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|2,0,0]=3 1423 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,1,0,0,0,0|3,0,0]=4 1424 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,1,0,0,0,0|3,0,0]=4 1425 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,1,0,0,0,0|3,0,0]=4 1426 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,1,0,0,0,0|3,0,0]=4 1427 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,1,0,0,0,0|3,0,0]=4 1428 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,1,0,0,0,0|3,0,0]=4 1429 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,0,0,0,0|1,0,0]=2 1430 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,0,0,0,0|1,0,0]=2 1431 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,0,0,0,0|1,0,0]=2 1432 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,0,0,0,0|1,0,0]=2 1433 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,1,0,0,0,0|1,0,1]=3 1434 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,1,0,0,0,0|1,0,1]=3 1435 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,0,0,0,0|1,0,2]=4 1436 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|1,0,2]=4 1437 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,0,0,0,0|2,0,0]=3 1438 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,0,0,0,0|3,0,0]=4 1439 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,0,0,0,0|3,0,0]=4 1440 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|2,0,0]=3 1441 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|2,0,0]=3 1442 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,0,0,0,0|1,0,0]=2 1443 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|1,0,0]=2 1444 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,1,0,0,0,0|1,0,0]=2 1445 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,1,0,0,0,0|1,0,0]=2 1446 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,1,0,0,0,0|1,0,0]=2 1447 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,1,0,0,0,0|1,0,0]=2 1448 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,1,0,0,0,0|1,0,0]=2 1449 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,1,0,0,0,0|3,0,0]=4 1450 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,1,0,0,0,0|3,0,0]=4 1451 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,0,0,0,0|3,0,0]=4 1452 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|1,0,2]=4 1453 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|1,0,2]=4 1454 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 1455 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 1456 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,1,0,0,0,0|1,0,1]=3 1457 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,1,0,0,0,0|1,0,1]=3 1458 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,0,0,0,0|3,0,0]=4 1459 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|1,0,2]=4 1460 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|1,0,2]=4 1461 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,1,0,0,0,0|3,0,0]=4 1462 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,1,0,0,0,0|3,0,0]=4 1463 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,1,0,0,0,0|1,0,1]=3 1464 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,1,0,0,0,0|1,0,1]=3 1465 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|0,0,2]=3 1466 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|0,0,2]=3 1467 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|1,0,2]=4 1468 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|1,0,2]=4 1469 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|1,0,2]=4 1470 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|1,0,2]=4 1471 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|1,0,2]=4 1472 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|1,0,2]=4 1473 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|1,0,2]=4 1474 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|1,0,2]=4 1475 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|0,0,1]=2 1476 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|1,0,1]=3 1477 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 1478 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 1479 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 1480 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|1,0,2]=4 1481 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|1,0,2]=4 1482 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,2]=4 1483 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,2]=4 1484 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 1485 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 1486 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 1487 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,0]=3 1488 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,0]=3 1489 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|2,0,0]=3 1490 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|2,0,0]=3 1491 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|2,0,0]=3 1492 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|2,0,0]=3 1493 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|2,0,0]=3 1494 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|2,0,0]=3 1495 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|2,0,0]=3 1496 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|2,0,0]=3 1497 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|3,0,0]=4 1498 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|2,0,0]=3 1499 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|2,0,0]=3 1500 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|1,0,1]=3 1501 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|1,0,1]=3 1502 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,0,0,0,0|3,0,0]=4 1503 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,0,0,0,0|3,0,0]=4 1504 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,0,0,0,0|3,0,0]=4 1505 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,0,0,0,0|3,0,0]=4 1506 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,0,0,0,0|3,0,0]=4 1507 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|3,0,0]=4 1508 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,0,0,0,0|3,0,0]=4 1509 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,0,0,0,0|3,0,0]=4 1510 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,0,0,0,0|3,0,0]=4 1511 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|2,0,1]=4 1512 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|2,0,1]=4 1513 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,1,0,0,0,0|3,0,0]=4 1514 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,1,0,0,0,0|3,0,0]=4 1515 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,1,0,0,0,0|3,0,0]=4 1516 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,1,0,0,0,0|3,0,0]=4 1517 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,1,0,0,0,0|3,0,0]=4 1518 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,0,0,0,0|2,0,0]=3 1519 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,0,0,0,0|2,0,0]=3 1520 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,0,0,0,0|3,0,0]=4 1521 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,1,0,0,0,0|3,0,0]=4 1522 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,1,0,0,0,0|3,0,0]=4 1523 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|2,0,0]=3 1524 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|2,0,0]=3 1525 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,1,0,0,0,0|2,0,1]=4 1526 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,1,0,0,0,0|2,0,1]=4 1527 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,1,0,0,0,0|2,0,1]=4 1528 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,0,0,0,0|2,0,0]=3 1529 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,1,0,0,0,0|3,0,0]=4 1530 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,0,0,0,0|2,0,1]=4 1531 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,0,0,0,0|2,0,1]=4 1532 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,0,0,0,0|2,0,1]=4 1533 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,0,0,0,0|2,0,0]=3 1534 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,0,0,0,0|3,0,0]=4 1535 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,0,0,0,0|2,0,0]=3 1536 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,0,0,0,0|2,0,0]=3 1537 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [0,1,0,0,0,0|3,0,0]=4 1538 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [0,1,0,0,0,0|3,0,0]=4 1539 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,1,0,0,0,0|3,0,0]=4 1540 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 1541 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 1542 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,1,0,0,0,0|3,0,0]=4 1543 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,1,0,0,0,0|3,0,0]=4 1544 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,1,0,0,0,0|3,0,0]=4 1545 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,1,0,0,0,0|3,0,0]=4 1546 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,1,0,0,0,0|3,0,0]=4 1547 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,0,0,0,0|3,0,0]=4 1548 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,1,0,0,0,0|3,0,0]=4 1549 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,1,0,0,0,0|3,0,0]=4 1550 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,1,0,0,0,0|3,0,0]=4 1551 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,1,0,0,0,0|3,0,0]=4 1552 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,1,0,0,0,0|3,0,0]=4 1553 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,1,0,0,0,0|3,0,0]=4 1554 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,1,0,0,0,0|3,0,0]=4 1555 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,1,0,0,0,0|3,0,0]=4 1556 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,1,0,0,0,0|3,0,0]=4 1557 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,1,0,0,0,0|3,0,0]=4 1558 B7R0.11 COCC(F)(F)CN 34a_100000703232_200000210301 [0,1,0,0,0,0|3,0,0]=4 1559 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,1,0,0,0,0|3,0,0]=4 1560 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,1,0,0,0,0|3,0,0]=4 1561 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 1562 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 1563 B7R0.11 [13CH3]OCC(F)(F)CN 34a_100000703232_200025704644 [0,1,0,0,0,0|3,0,0]=4 1564 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,0,0,0,0|2,0,0]=3 1565 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,0,0,0,0|2,0,0]=3 1566 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [0,1,0,0,0,0|3,0,0]=4 1567 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [0,1,0,0,0,0|3,0,0]=4 1568 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,0,0,0,0|0,0,2]=3 1569 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,0,0,0,0|0,0,2]=3 1570 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,0,0,0,0|0,0,2]=3 1571 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,0,0,0,0|0,0,2]=3 1572 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,1,0,0,0,0|0,0,2]=3 1573 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,1,0,0,0,0|0,0,2]=3 1574 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,1,0,0,0,0|0,0,2]=3 1575 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,1,0,0,0,0|0,0,2]=3 1576 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,0,0,0,0|2,0,0]=3 1577 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,0,0,0,0|2,0,0]=3 1578 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,1,0,0,0,0|3,0,0]=4 1579 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,1,0,0,0,0|3,0,0]=4 1580 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|0,0,2]=3 1581 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|0,0,2]=3 1582 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|0,0,2]=3 1583 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|0,0,2]=3 1584 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,1,0,0,0,0|1,0,2]=4 1585 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,1,0,0,0,0|1,0,2]=4 1586 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,0,0,0,0|1,0,2]=4 1587 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,0,0,0,0|1,0,2]=4 1588 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,1,0,0,0,0|0,0,2]=3 1589 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,1,0,0,0,0|0,0,2]=3 1590 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,1,0,0,0,0|0,0,2]=3 1591 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,1,0,0,0,0|0,0,2]=3 1592 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,0,0,0,0|2,0,0]=3 1593 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,0,0,0,0|2,0,0]=3 1594 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,0,0,0,0|2,0,0]=3 1595 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,0,0,0,0|2,0,0]=3 1596 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,0,0,0,0|2,0,0]=3 1597 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,0,0,0,0|2,0,0]=3 1598 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,0,0,0,0|2,0,0]=3 1599 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,0,0,0,0|2,0,0]=3 1600 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,0,0,0,0|2,0,0]=3 1601 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,0,0,0,0|2,0,0]=3 1602 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,0,0,0,0|2,0,0]=3 1603 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,0,0,0,0|2,0,0]=3 1604 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,0,0,0,0|2,0,0]=3 1605 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,0,0,0,0|2,0,0]=3 1606 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,0,0,0,0|3,0,0]=4 1607 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,1,0,0,0,0|3,0,0]=4 1608 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,1,0,0,0,0|3,0,0]=4 1609 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,0,0,0,0|2,0,0]=3 1610 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,0,0,0,0|2,0,0]=3 1611 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,0,0,0,0|2,0,0]=3 1612 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,0,0,0,0|1,0,0]=2 1613 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,0,0,0,0|1,0,0]=2 1614 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,0,0,0,0|1,0,0]=2 1615 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,0,0,0,0|1,0,0]=2 1616 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,0,0,0,0|1,0,0]=2 1617 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,0,0,0,0|1,0,0]=2 1618 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,0,0,0,0|1,0,1]=3 1619 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,0,0,0,0|1,0,1]=3 1620 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,0,0,0,0|1,0,1]=3 1621 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,0,0,0,0|1,0,1]=3 1622 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|1,0,0]=2 1623 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|1,0,0]=2 1624 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|1,0,0]=2 1625 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|1,0,0]=2 1626 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|0,0,0]=1 1627 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|0,0,0]=1 1628 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|0,0,0]=1 1629 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|0,0,0]=1 1630 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|0,1,0]=2 1631 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|0,1,0]=2 1632 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|0,1,0]=2 1633 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|0,1,0]=2 1634 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,0,0,0,0|2,0,0]=3 1635 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,0,0,0,0|2,0,0]=3 1636 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,0,0,0,0|2,0,0]=3 1637 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,0,0,0,0|2,0,0]=3 1638 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,0,0,0,0|2,0,0]=3 1639 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,0,0,0,0|2,0,0]=3 1640 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,0,0,0,0|1,0,0]=2 1641 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,0,0]=2 1642 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,0,0,0,0|1,0,0]=2 1643 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,0,0]=2 1644 B7R0.12 CCN(CC)CCF 2230a_100000724800_100011217306 [0,1,0,0,0,0|3,0,0]=4 1645 B7R0.12 CCN(CC)CCF 269956a_100000042499_100011217306 [0,1,0,0,0,0|3,0,0]=4 1646 B7R0.12 CCN(CC)CCF 269982a_100000724800_100011217306 [0,1,0,0,0,0|3,0,0]=4 1647 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [0,1,0,0,0,0|3,0,0]=4 1648 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [0,1,0,0,0,0|3,0,0]=4 1649 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [0,1,0,0,0,0|3,0,0]=4 1650 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [0,1,0,0,0,0|3,0,0]=4 1651 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [0,1,0,0,0,0|3,0,0]=4 1652 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [0,1,0,0,0,0|3,0,0]=4 1653 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [0,1,0,0,0,0|3,0,0]=4 1654 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [0,1,0,0,0,0|3,0,0]=4 1655 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [0,1,0,0,0,0|3,0,0]=4 1656 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [0,1,0,0,0,0|3,0,0]=4 1657 B7R0.12 CCN(CC)CSC 2230a_100000724800_100011218213 [0,1,0,0,0,0|3,0,0]=4 1658 B7R0.12 CCN(CC)CSC 269956a_100000042499_100011218213 [0,1,0,0,0,0|3,0,0]=4 1659 B7R0.12 CCN(CC)CSC 269982a_100000724800_100011218213 [0,1,0,0,0,0|3,0,0]=4 1660 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [0,1,0,0,0,0|3,0,0]=4 1661 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,0,0,0,0|2,0,0]=3 1662 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,0,0,0,0|2,0,0]=3 1663 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,1,0,0,0,0|2,0,0]=3 1664 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,0,0,0,0|1,0,0]=2 1665 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,0,0,0,0|2,0,0]=3 1666 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,0,0,0,0|3,0,0]=4 1667 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,0,0,0,0|3,0,0]=4 1668 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,0,0,0,0|3,0,0]=4 1669 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,0,0,0,0|3,0,0]=4 1670 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,0,0,0,0|3,0,0]=4 1671 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,0,0,0,0|3,0,0]=4 1672 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,0,0,0,0|2,0,0]=3 1673 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,0,0,0,0|2,0,0]=3 1674 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,1,0,0,0,0|2,0,1]=4 1675 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,1,0,0,0,0|2,0,1]=4 1676 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,0,0,0,0|2,0,0]=3 1677 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|2,0,0]=3 1678 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,1,0,0,0,0|2,0,0]=3 1679 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,1,0,0,0,0|2,0,0]=3 1680 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,1,0,0,0,0|2,0,0]=3 1681 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,1,0,0,0,0|2,0,0]=3 1682 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,1,0,0,0,0|2,0,0]=3 1683 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,1,0,0,0,0|2,0,0]=3 1684 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,1,0,0,0,0|2,0,0]=3 1685 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,1,0,0,0,0|2,0,0]=3 1686 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,1,0,0,0,0|2,0,0]=3 1687 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,0,0,0,0|2,0,0]=3 1688 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,0,0,0,0|2,0,0]=3 1689 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,0,0,0,0|2,0,0]=3 1690 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|2,0,0]=3 1691 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,0,0,0,0|2,0,0]=3 1692 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|2,0,0]=3 1693 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,1,0,0,0,0|2,0,0]=3 1694 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,1,0,0,0,0|2,0,0]=3 1695 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|2,0,0]=3 1696 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|2,0,0]=3 1697 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,0,0,1,0,0|3,0,0]=4 1698 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,0,0,1,0,0|3,0,0]=4 1699 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 1700 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 1701 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,0]=3 1702 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 1703 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,0]=3 1704 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 1705 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|3,0,0]=4 1706 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|3,0,0]=4 1707 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|3,0,0]=4 1708 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|3,0,0]=4 1709 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|3,0,0]=4 1710 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|3,0,0]=4 1711 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|3,0,0]=4 1712 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|3,0,0]=4 1713 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 1714 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|2,0,0]=3 1715 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 1716 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|1,0,0]=2 1717 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|3,0,0]=4 1718 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|3,0,0]=4 1719 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|3,0,0]=4 1720 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|2,0,0]=3 1721 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|2,0,0]=3 1722 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|3,0,0]=4 1723 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,0,0,1,0,0|3,0,0]=4 1724 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 1725 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 1726 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|3,0,0]=4 1727 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|3,0,0]=4 1728 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|3,0,0]=4 1729 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 1730 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 1731 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|1,0,0]=2 1732 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|3,0,0]=4 1733 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|3,0,0]=4 1734 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|2,0,0]=3 1735 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|2,0,0]=3 1736 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|3,0,0]=4 1737 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,1,0,0|1,0,0]=2 1738 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,1,0,0|1,0,0]=2 1739 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,0,0,1,0,0|2,0,0]=3 1740 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,0,0,1,0,0|2,0,0]=3 1741 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,0,0,1,0,0|2,0,0]=3 1742 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|2,0,0]=3 1743 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|2,0,0]=3 1744 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|2,0,0]=3 1745 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|2,0,0]=3 1746 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|2,0,0]=3 1747 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|2,0,0]=3 1748 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,1,0,0|1,0,0]=2 1749 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,1,0,0|1,0,0]=2 1750 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,0,0,1,0,0|2,0,0]=3 1751 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,0,0,1,0,0|2,0,0]=3 1752 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,0,0,1,0,0|2,0,0]=3 1753 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,1,0,0|3,0,0]=4 1754 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,1,0,0|3,0,0]=4 1755 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,1,0,0|3,0,0]=4 1756 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,0,1,0,0|3,0,0]=4 1757 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,0,1,0,0|3,0,0]=4 1758 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,0,1,0,0|3,0,0]=4 1759 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,0,0,1,0,0|3,0,0]=4 1760 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,0,0,1,0,0|3,0,0]=4 1761 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,1,0,0|3,0,0]=4 1762 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,1,0,0|3,0,0]=4 1763 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,1,0,0|3,0,0]=4 1764 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,0,1,0,0|3,0,0]=4 1765 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,0,1,0,0|3,0,0]=4 1766 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,0,1,0,0|3,0,0]=4 1767 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,0,0,1,0,0|3,0,0]=4 1768 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,0,0,1,0,0|3,0,0]=4 1769 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 1770 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 1771 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,1,0,0|3,0,0]=4 1772 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 1773 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 1774 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,1,0,0|3,0,0]=4 1775 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 1776 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 1777 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|2,0,0]=3 1778 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 1779 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 1780 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|2,0,0]=3 1781 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|2,0,0]=3 1782 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|2,0,0]=3 1783 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|2,0,0]=3 1784 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|2,0,0]=3 1785 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|2,0,0]=3 1786 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|2,0,0]=3 1787 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,0,0,1,0,0|3,0,0]=4 1788 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,0,0,1,0,0|3,0,0]=4 1789 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,0,0,1,0,0|3,0,0]=4 1790 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|2,0,0]=3 1791 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|2,0,0]=3 1792 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|2,0,0]=3 1793 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|2,0,0]=3 1794 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|2,0,0]=3 1795 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|2,0,0]=3 1796 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,0,0,1,0,0|3,0,0]=4 1797 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,1,0,0|2,0,0]=3 1798 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,1,0,0|2,0,0]=3 1799 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,0,0,1,0,0|3,0,0]=4 1800 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,0,1,0,0|3,0,0]=4 1801 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,0,1,0,0|2,0,0]=3 1802 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,0,0,1,0,0|3,0,0]=4 1803 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|2,0,0]=3 1804 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|2,0,0]=3 1805 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|2,0,0]=3 1806 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|2,0,0]=3 1807 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|2,0,0]=3 1808 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|2,0,0]=3 1809 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,0,1,0,0|1,0,0]=2 1810 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,0,1,0,0|1,0,0]=2 1811 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,0,1,0,0|1,0,0]=2 1812 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,0,0,1,0,0|3,0,0]=4 1813 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,0,0,1,0,0|3,0,0]=4 1814 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,0,0,1,0,0|3,0,0]=4 1815 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,0,0,1,0,0|3,0,0]=4 1816 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,0,0,1,0,0|3,0,0]=4 1817 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,0,1,0,0|1,0,0]=2 1818 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,0,1,0,0|1,0,0]=2 1819 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|2,0,0]=3 1820 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|2,0,0]=3 1821 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,0,1,0,0|1,0,0]=2 1822 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,0,1,0,0|1,0,0]=2 1823 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,0,0,1,0,0|3,0,0]=4 1824 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,0,0,1,0,0|3,0,0]=4 1825 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,0,0,1,0,0|3,0,0]=4 1826 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,0,0,1,0,0|3,0,0]=4 1827 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|2,0,0]=3 1828 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|2,0,0]=3 1829 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,0,1,0,0|1,0,0]=2 1830 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,0,1,0,0|1,0,0]=2 1831 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,0,0,1,0,0|3,0,0]=4 1832 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,0,0,1,0,0|3,0,0]=4 1833 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,0,0,1,0,0|3,0,0]=4 1834 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,0,0,1,0,0|3,0,0]=4 1835 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,0,0,1,0,0|3,0,0]=4 1836 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,0,1,0,0|3,0,0]=4 1837 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,0,0,1,0,0|3,0,0]=4 1838 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,0,0,1,0,0|3,0,0]=4 1839 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|2,0,0]=3 1840 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|2,0,0]=3 1841 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,0,0,1,0,0|3,0,0]=4 1842 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,0,0,1,0,0|3,0,0]=4 1843 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,0,1,0,0|1,0,0]=2 1844 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,0,1,0,0|1,0,0]=2 1845 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|2,0,0]=3 1846 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,0,1,0,0|1,0,0]=2 1847 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,0,0,1,0,0|3,0,0]=4 1848 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,0,0,1,0,0|3,0,0]=4 1849 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|2,0,0]=3 1850 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|2,0,0]=3 1851 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,0,1,0,0|1,0,0]=2 1852 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,0,1,0,0|1,0,0]=2 1853 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,0,0,1,0,0|3,0,0]=4 1854 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,0,0,1,0,0|3,0,0]=4 1855 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,0,1,0,0|3,0,0]=4 1856 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,0,1,0,0|3,0,0]=4 1857 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|2,0,0]=3 1858 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|2,0,0]=3 1859 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,2]=4 1860 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,2]=4 1861 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|1,0,2]=4 1862 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|1,0,2]=4 1863 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|1,0,2]=4 1864 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|1,0,2]=4 1865 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|1,0,2]=4 1866 B7R1.10 CC1CN(C1)CF 269982a_100000702820_100015361967 [0,0,0,1,0,0|3,0,0]=4 1867 B7R1.10 CC1CN(C1)CF 34a_100000702820_100015361967 [0,0,0,1,0,0|3,0,0]=4 1868 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,0,1,0,0|2,0,0]=3 1869 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,0,1,0,0|2,0,0]=3 1870 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,0,1,0,0|2,0,0]=3 1871 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,0,1,0,0|2,0,0]=3 1872 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,0,1,0,0|2,0,0]=3 1873 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,0,1,0,0|2,0,0]=3 1874 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,0,1,0,0|2,0,0]=3 1875 B7R1.10 CCN1CC(C1)F 2230a_100000690557_100000210202 [0,0,0,1,0,0|3,0,0]=4 1876 B7R1.10 CCN1CC(C1)F 269982a_100000690557_100000204670 [0,0,0,1,0,0|3,0,0]=4 1877 B7R1.10 CCN1CC(C1)F 34a_100000690557_100000210202 [0,0,0,1,0,0|3,0,0]=4 1878 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,0,0,1,0,0|3,0,0]=4 1879 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [0,0,0,1,0,0|3,0,0]=4 1880 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [0,0,0,1,0,0|3,0,0]=4 1881 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,0,0,1,0,0|3,0,0]=4 1882 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,0,0,1,0,0|3,0,0]=4 1883 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,0,0,1,0,0|3,0,0]=4 1884 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,0,0,1,0,0|3,0,0]=4 1885 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,0,0,1,0,0|3,0,0]=4 1886 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,0,0,1,0,0|3,0,0]=4 1887 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,0,0,1,0,0|3,0,0]=4 1888 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,0,0,1,0,0|3,0,0]=4 1889 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [0,0,0,1,0,0|3,0,0]=4 1890 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [0,0,0,1,0,0|3,0,0]=4 1891 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,0,0,1,0,0|3,0,0]=4 1892 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,0,0,1,0,0|3,0,0]=4 1893 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,0,0,1,0,0|3,0,0]=4 1894 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,0,0,1,0,0|3,0,0]=4 1895 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,1,0,0|1,0,0]=2 1896 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,1,0,0|1,0,0]=2 1897 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,1,0,0|1,0,0]=2 1898 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,1,0,0|1,0,0]=2 1899 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,0,1,0,0|2,0,0]=3 1900 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,0,1,0,0|2,0,0]=3 1901 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,0,0,1,0,0|3,0,0]=4 1902 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,0,0,1,0,0|3,0,0]=4 1903 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,0,0,1,0,0|3,0,0]=4 1904 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,0,1,0,0|2,0,0]=3 1905 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,0,1,0,0|2,0,0]=3 1906 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,0,1,0,0|2,0,0]=3 1907 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,0,0,1,0,0|1,0,0]=2 1908 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,0,0,1,0,0|3,0,0]=4 1909 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,0,1,0,0|2,0,0]=3 1910 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,0,0,1,0,0|2,0,0]=3 1911 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,0,0,1,0,0|2,0,0]=3 1912 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,0,0,1,0,0|3,0,0]=4 1913 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,0,0,1,0,0|3,0,0]=4 1914 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,0,0,1,0,0|3,0,0]=4 1915 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,0,0,1,0,0|1,0,0]=2 1916 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,0,0,1,0,0|2,0,0]=3 1917 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,0,0,1,0,0|2,0,0]=3 1918 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,0,1,0,0|2,0,0]=3 1919 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,0,1,0,0|2,0,0]=3 1920 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,0,1,0,0|2,0,0]=3 1921 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,0,1,0,0|2,0,0]=3 1922 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|0,0,2]=3 1923 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|1,0,2]=4 1924 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,0,1,0,0|2,0,0]=3 1925 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,0,1,0,0|2,0,0]=3 1926 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,0,1,0,0|2,0,0]=3 1927 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,0,1,0,0|2,0,0]=3 1928 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,0,1,0,0|2,0,0]=3 1929 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,0,1,0,0|2,0,0]=3 1930 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,0,1,0,0|2,0,0]=3 1931 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [0,0,0,1,0,0|3,0,0]=4 1932 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|1,0,2]=4 1933 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 1934 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 1935 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 1936 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,0,1,0,0|2,0,0]=3 1937 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,0,1,0,0|2,0,0]=3 1938 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,0,1,0,0|2,0,0]=3 1939 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,0,1,0,0|3,0,0]=4 1940 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,0,1,0,0|2,0,0]=3 1941 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,0,1,0,0|2,0,0]=3 1942 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|1,0,2]=4 1943 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,0,1,0,0|2,0,0]=3 1944 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,0,1,0,0|2,0,0]=3 1945 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,0,1,0,0|2,0,0]=3 1946 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,0,1,0,0|2,0,0]=3 1947 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,0,0,1,0,0|3,0,0]=4 1948 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,0,0,1,0,0|3,0,0]=4 1949 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,0,1,0,0|2,0,0]=3 1950 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,0,1,0,0|2,0,0]=3 1951 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,0,0,1,0,0|3,0,0]=4 1952 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,0,1,0,0|2,0,0]=3 1953 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,0,1,0,0|2,0,0]=3 1954 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,0,0,1,0,0|3,0,0]=4 1955 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|2,0,0]=4 1956 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|2,0,0]=4 1957 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|2,0,0]=4 1958 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|2,0,0]=4 1959 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|2,0,0]=4 1960 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,2]=4 1961 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,2]=4 1962 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,2]=4 1963 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1964 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 1965 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1966 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 1967 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1968 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1969 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|2,0,0]=4 1970 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|2,0,0]=4 1971 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|2,0,0]=4 1972 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|2,0,0]=4 1973 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|2,0,0]=4 1974 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|2,0,0]=4 1975 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|2,0,0]=4 1976 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|2,0,0]=4 1977 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|2,0,0]=4 1978 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1979 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 1980 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1981 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,0]=3 1982 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,0]=3 1983 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,0]=3 1984 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,0]=3 1985 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,0]=3 1986 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,0]=3 1987 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,0]=3 1988 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,0]=3 1989 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,0]=3 1990 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1991 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,0]=3 1992 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 1993 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 1994 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1995 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1996 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1997 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1998 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,0]=3 1999 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 2000 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,0]=3 2001 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,0]=3 2002 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 2003 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 2004 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 2005 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 2006 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2007 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 2008 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 2009 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,0]=3 2010 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|2,0,0]=4 2011 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|2,0,0]=4 2012 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|2,0,0]=4 2013 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|2,0,0]=4 2014 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|2,0,0]=4 2015 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2016 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 2017 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2018 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,0]=3 2019 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|2,0,0]=4 2020 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|2,0,0]=4 2021 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|2,0,0]=4 2022 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|2,0,0]=4 2023 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 2024 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,0]=3 2025 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,0]=3 2026 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 2027 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 2028 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2029 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 2030 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2031 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,0]=3 2032 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,2]=4 2033 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,2]=4 2034 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,1]=3 2035 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,1]=3 2036 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,2]=4 2037 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,1,0,0,0,0|2,0,0]=4 2039 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,1,0,0,0,0|2,0,0]=4 2041 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,1,0,0,0,0|2,0,0]=4 2042 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2043 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2044 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,1,0,0,0,0|2,0,0]=4 2045 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,1,0,0,0,0|2,0,0]=4 2046 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,1,0,0,0,0|2,0,0]=4 2047 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,1,0,0,0,0|2,0,0]=4 2048 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,1,0,0,0,0|1,0,0]=3 2049 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,1,0,0,0,0|1,0,0]=3 2050 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,1,0,0,0,0|1,0,0]=3 2051 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,1,0,0,0,0|1,0,0]=3 2052 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,1,0,0,0,0|1,0,0]=3 2053 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,1,0,0,0,0|1,0,0]=3 2054 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,1]=3 2055 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,1,0,0,0,0|1,0,0]=3 2056 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,1,0,0,0,0|1,0,0]=3 2057 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,1,0,0,0,0|2,0,0]=4 2058 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,1,0,0,0,0|2,0,0]=4 2059 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,1,0,0,0,0|1,0,1]=4 2060 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,1,0,0,0,0|1,0,1]=4 2061 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,1,0,0,0,0|1,0,1]=4 2062 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,1,0,0,0,0|1,0,1]=4 2063 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,1,0,0,0,0|0,0,1]=3 2064 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,1,0,0,0,0|0,0,1]=3 2065 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,2]=4 2066 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,2]=4 2067 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,2]=4 2068 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2069 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,1,0,0,0,0|2,0,0]=4 2070 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2071 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,1,0,0,0,0|2,0,0]=4 2072 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,2]=4 2075 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,2]=4 2076 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,1,0,0,0,0|2,0,0]=4 2077 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,1,0,0,0,0|2,0,0]=4 2078 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,1,0,0,0,0|2,0,0]=4 2080 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,1,0,0,0,0|2,0,0]=4 2081 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,1,0,0,0,0|2,0,0]=4 2082 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,1,0,0,0,0|1,0,1]=4 2084 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,1,0,0,0,0|1,0,1]=4 2085 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,1,0,0,0,0|1,0,1]=4 2086 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,1,0,0,0,0|2,0,0]=4 2087 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,1,0,0,0,0|2,0,0]=4 2088 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,1,0,0,0,0|1,0,1]=4 2089 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,1,0,0,0,0|1,0,1]=4 2090 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 2091 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|1,0,1]=4 2092 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|1,0,1]=4 2093 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2094 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|1,0,1]=4 2095 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2096 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|1,0,1]=4 2097 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|1,0,1]=4 2098 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|1,0,1]=4 2099 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|1,0,1]=4 2100 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,1]=4 2101 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|1,0,1]=4 2102 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|1,0,1]=4 2103 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|1,0,1]=4 2104 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|1,0,1]=4 2105 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,2]=4 2106 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,2]=4 2107 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 2108 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 2109 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,2]=4 2110 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,2]=4 2111 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2112 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,1,0,0,0,0|2,0,0]=4 2113 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,0,0]=3 2114 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,0,0]=3 2115 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,0]=3 2116 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,0]=3 2117 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|2,0,0]=4 2118 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,1,0,0,0,0|2,0,0]=4 2119 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,1,0,0,0,0|2,0,0]=4 2120 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,1,0,0,0,0|2,0,0]=4 2121 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 2122 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|2,0,0]=4 2123 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|2,0,0]=4 2124 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|2,0,0]=4 2125 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|2,0,0]=4 2126 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|2,0,0]=4 2127 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|2,0,0]=4 2128 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2129 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 2130 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|2,0,0]=4 2131 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|2,0,0]=4 2132 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,1,0,0,0,0|2,0,0]=4 2133 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,1,0,0,0,0|2,0,0]=4 2134 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|2,0,0]=4 2135 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|2,0,0]=4 2136 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|2,0,0]=4 2137 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 2138 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,1,0,0,0,0|2,0,0]=4 2139 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|0,0,0]=2 2140 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|0,0,0]=2 2141 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|0,0,0]=2 2142 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|1,0,0]=3 2143 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,1,0,0,0,0|1,0,0]=3 2144 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,1,0,0,0,0|1,0,0]=3 2145 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,2]=4 2146 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,2]=4 2147 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,2]=4 2148 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 2150 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|2,0,0]=4 2152 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 2153 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|2,0,0]=4 2154 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 2155 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 2156 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 2157 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,2]=4 2158 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 2159 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 2160 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|1,0,0]=3 2161 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|1,0,0]=3 2162 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|1,0,0]=3 2163 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|1,0,0]=3 2164 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,1]=4 2165 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 2166 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,0]=3 2167 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,0]=3 2168 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 2169 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|0,0,0]=2 2170 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|0,0,0]=2 2171 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|0,0,0]=2 2172 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [1,1,0,0,0,0|2,0,0]=4 2173 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [1,1,0,0,0,0|2,0,0]=4 2174 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|0,0,0]=2 2175 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,2]=4 2176 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,2]=4 2177 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,2]=4 2178 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,0,0]=3 2179 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|1,0,0]=3 2180 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|1,0,0]=3 2181 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,0,0]=3 2182 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|0,0,0]=2 2183 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,1,0,0,0,0|2,0,0]=4 2184 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,1,0,0,0,0|2,0,0]=4 2185 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,1,0,0,0,0|2,0,0]=4 2186 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,0]=3 2187 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|1,0,0]=3 2188 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|0,0,0]=2 2189 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,2]=4 2190 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,2]=4 2191 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|1,0,0]=3 2192 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|1,0,0]=3 2193 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|0,0,0]=2 2194 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|0,0,0]=2 2195 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,1,0,0,0,0|2,0,0]=4 2196 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,1,0,0,0,0|2,0,0]=4 2197 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|0,0,0]=2 2198 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|0,0,0]=2 2199 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 2200 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,1,0,0,0,0|2,0,0]=4 2201 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 2202 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,1,0,0,0,0|2,0,0]=4 2203 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 2204 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,1,0,0,0,0|2,0,0]=4 2205 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,1,0,0,0,0|2,0,0]=4 2206 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 2207 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 2208 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,2]=4 2209 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|1,0,0]=3 2210 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|1,0,0]=3 2211 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|1,0,0]=3 2212 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|1,0,0]=3 2213 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|0,0,0]=2 2214 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|0,0,0]=2 2215 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|0,0,0]=2 2216 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|0,0,0]=2 2217 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,1,0,0,0,0|2,0,0]=4 2218 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,1,0,0,0,0|2,0,0]=4 2219 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,1,0,0,0,0|2,0,0]=4 2220 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,2]=4 2221 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,2]=4 2222 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 2223 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 2224 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,2]=4 2225 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,0]=3 2226 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,0,0]=3 2227 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,0,0]=3 2228 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,0,0]=3 2229 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|0,0,0]=2 2230 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2232 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,1,0,0,0,0|2,0,0]=4 2233 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2234 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,1,0,0,0,0|2,0,0]=4 2235 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2236 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2237 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,0]=3 2238 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|2,0,0]=4 2239 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,1,0,0,0,0|2,0,0]=4 2240 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,1,0,0,0,0|2,0,0]=4 2241 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,1,0,0,0,0|2,0,0]=4 2242 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,2]=4 2243 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,2]=4 2244 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,2]=4 2245 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,2]=4 2246 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,2]=4 2247 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,0]=3 2248 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,0]=3 2249 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|0,0,0]=2 2250 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|0,0,0]=2 2251 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2252 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,1,0,0,0,0|2,0,0]=4 2253 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2254 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,1,0,0,0,0|2,0,0]=4 2255 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,1,0,0,0,0|2,0,0]=4 2256 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 2257 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,1,0,0,0,0|2,0,0]=4 2258 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 2259 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 2260 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,1,0,0,0,0|2,0,0]=4 2261 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,1,0,0,0,0|2,0,0]=4 2262 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,1,0,0,0,0|2,0,0]=4 2263 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,1,0,0,0,0|2,0,0]=4 2264 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,1,0,0,0,0|2,0,0]=4 2265 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|2,0,0]=4 2266 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,0]=3 2267 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,1,0,0,0,0|2,0,0]=4 2268 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,1,0,0,0,0|1,0,0]=3 2269 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,1,0,0,0,0|1,0,0]=3 2270 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,1,0,0,0,0|2,0,0]=4 2271 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|2,0,0]=4 2272 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|2,0,0]=4 2273 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|2,0,0]=4 2274 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2275 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|2,0,0]=4 2276 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|2,0,0]=4 2277 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|2,0,0]=4 2278 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|1,0,0]=3 2279 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|1,0,0]=3 2280 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|1,0,0]=3 2281 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [1,1,0,0,0,0|2,0,0]=4 2282 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,1,0,0,0,0|2,0,0]=4 2283 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,1,0,0,0,0|2,0,0]=4 2284 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,1,0,0,0,0|2,0,0]=4 2285 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,1,0,0,0,0|2,0,0]=4 2286 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,1,0,0,0,0|2,0,0]=4 2287 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,1,0,0,0,0|2,0,0]=4 2288 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|2,0,0]=4 2289 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|2,0,0]=4 2290 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|2,0,0]=4 2291 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|2,0,0]=4 2293 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|1,0,0]=3 2294 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|1,0,0]=3 2295 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|1,0,0]=3 2296 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|2,0,0]=4 2297 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|2,0,0]=4 2298 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|2,0,0]=4 2299 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|1,0,0]=3 2300 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [1,1,0,0,0,0|2,0,0]=4 2301 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|2,0,0]=4 2302 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|2,0,0]=4 2303 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|2,0,0]=4 2304 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|2,0,0]=4 2305 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|1,0,0]=3 2306 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|1,0,0]=3 2307 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,1,0,0,0,0|0,0,2]=4 2308 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,1,0,0,0,0|0,0,2]=4 2309 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,1,0,0,0,0|0,0,2]=4 2310 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,1,0,0,0,0|0,0,2]=4 2311 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,1,0,0,0,0|0,0,2]=4 2312 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,1,0,0,0,0|0,0,2]=4 2313 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,1,0,0,0,0|0,0,2]=4 2314 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,1,0,0,0,0|0,0,2]=4 2315 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,1,0,0,0,0|0,0,2]=4 2316 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,1,0,0,0,0|0,0,2]=4 2317 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,1,0,0,0,0|0,0,2]=4 2318 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,1,0,0,0,0|0,0,2]=4 2319 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,1,0,0,0,0|0,0,2]=4 2320 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,1,0,0,0,0|0,0,2]=4 2321 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,1,0,0,0,0|0,0,2]=4 2322 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,1,0,0,0,0|0,0,2]=4 2323 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,1,0,0,0,0|0,0,2]=4 2324 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,1,0,0,0,0|0,0,2]=4 2325 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,1,0,0,0,0|0,0,2]=4 2326 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,1,0,0,0,0|0,0,2]=4 2327 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,1,0,0,0,0|0,0,2]=4 2328 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,1,0,0,0,0|0,0,2]=4 2329 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,1,0,0,0,0|0,0,2]=4 2330 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,1,0,0,0,0|0,0,2]=4 2331 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|0,0,2]=4 2332 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|0,0,2]=4 2333 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|0,0,2]=4 2334 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|0,0,2]=4 2335 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|0,0,2]=4 2336 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|0,0,2]=4 2337 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,1,0,0,0,0|0,0,2]=4 2338 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,1,0,0,0,0|0,0,2]=4 2339 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,1,0,0,0,0|0,0,2]=4 2340 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,1,0,0,0,0|0,0,2]=4 2341 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,1,0,0,0,0|0,0,2]=4 2342 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,1,0,0,0,0|0,0,2]=4 2343 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,1,0,0,0,0|0,0,2]=4 2344 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|0,0,2]=4 2345 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|0,0,2]=4 2346 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|0,0,2]=4 2347 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|0,0,2]=4 2348 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|0,0,2]=4 2349 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|0,0,2]=4 2350 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|0,0,2]=4 2351 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|0,0,2]=4 2352 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|0,0,2]=4 2353 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,1,0,0,0,0|0,0,2]=4 2354 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,1,0,0,0,0|0,0,2]=4 2355 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|0,0,2]=4 2356 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|0,0,2]=4 2357 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,1,0,0,0,0|0,0,2]=4 2358 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,1,0,0,0,0|0,0,2]=4 2359 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,1,0,0,0,0|0,0,2]=4 2360 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|0,0,2]=4 2361 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|0,0,2]=4 2362 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,1,0,0,0,0|0,0,2]=4 2363 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,1,0,0,0,0|0,0,2]=4 2364 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [1,1,0,0,0,0|0,0,2]=4 2365 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [1,1,0,0,0,0|0,0,2]=4 2366 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [1,1,0,0,0,0|0,0,2]=4 2367 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [1,1,0,0,0,0|0,0,2]=4 2368 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [1,1,0,0,0,0|0,0,2]=4 2369 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,1,0,0,0,0|0,0,2]=4 2370 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,1,0,0,0,0|0,0,2]=4 2371 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [1,1,0,0,0,0|0,0,2]=4 2372 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [1,1,0,0,0,0|0,0,2]=4 2373 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|0,0,2]=4 2374 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|0,0,2]=4 2375 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|0,0,2]=4 2376 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|0,0,2]=4 2377 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|0,0,2]=4 2378 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|0,0,2]=4 2379 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|0,0,2]=4 2380 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|0,0,2]=4 2381 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|0,0,2]=4 2382 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|0,0,2]=4 2383 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|0,0,2]=4 2384 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|0,0,2]=4 2385 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|0,0,2]=4 2386 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|0,0,2]=4 2387 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|1,0,1]=4 2388 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,1,0,0,0,0|0,0,2]=4 2389 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,1,0,0,0,0|0,0,2]=4 2390 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,1,0,0,0,0|0,0,2]=4 2391 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,1,0,0,0,0|0,0,2]=4 2392 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,1,0,0,0,0|0,0,2]=4 2393 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,1,0,0,0,0|0,0,2]=4 2394 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,1,0,0,0,0|0,0,2]=4 2395 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,1,0,0,0,0|0,0,2]=4 2396 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,1,0,0,0,0|0,0,2]=4 2397 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,1,0,0,0,0|0,0,2]=4 2398 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,1,0,0,0,0|1,0,1]=4 2399 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,1,0,0,0,0|0,0,0]=2 2400 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,1,0,0,0,0|0,0,0]=2 2401 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,1,0,0,0,0|0,0,0]=2 2402 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,1,0,0,0,0|0,0,0]=2 2403 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,1,0,0,0,0|0,0,0]=2 2404 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|0,0,0]=2 2405 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|0,0,0]=2 2406 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|0,0,0]=2 2407 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|0,0,0]=2 2408 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|0,0,0]=2 2409 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,1,0,0,0,0|0,0,0]=2 2410 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,1,0,0,0,0|0,0,0]=2 2411 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,1,0,0,0,0|0,0,0]=2 2412 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,1,0,0,0,0|0,0,0]=2 2413 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,1,0,0,0,0|0,0,0]=2 2414 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,1,0,0,0,0|0,0,0]=2 2415 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,1,0,0,0,0|0,0,0]=2 2416 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,1,0,0,0,0|1,0,0]=3 2417 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,1,0,0,0,0|0,0,0]=2 2418 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,1,0,0,0,0|0,0,0]=2 2419 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,1,0,0,0,0|0,0,0]=2 2420 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,1,0,0,0,0|1,0,0]=3 2421 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,1,0,0,0,0|1,0,0]=3 2422 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,1,0,0,0,0|0,0,0]=2 2423 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,1,0,0,0,0|0,0,0]=2 2424 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,1,0,0,0,0|1,0,0]=3 2425 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,1,0,0,0,0|1,0,0]=3 2426 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,1,0,0,0,0|1,0,0]=3 2427 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|1,0,0]=3 2428 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|1,0,0]=3 2429 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|1,0,1]=4 2430 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,1,0,0,0,0|1,0,0]=3 2431 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,1,0,0,0,0|0,0,0]=2 2432 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,1,0,0,0,0|1,0,0]=3 2433 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,1,0,0,0,0|1,0,0]=3 2434 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,1,0,0,0,0|1,0,0]=3 2435 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,1,0,0,0,0|1,0,0]=3 2436 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,1,0,0,0,0|1,0,1]=4 2437 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,1,0,0,0,0|1,0,1]=4 2438 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|1,0,1]=4 2439 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|1,0,1]=4 2440 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,1,0,0,0,0|0,0,0]=2 2441 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,1,0,0,0,0|1,0,0]=3 2442 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,1,0,0,0,0|1,0,0]=3 2443 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,1,0,0,0,0|1,0,0]=3 2444 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,1,0,0,0,0|1,0,0]=3 2445 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,1,0,0,0,0|1,0,0]=3 2446 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,1,0,0,0,0|1,0,0]=3 2447 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,1,0,0,0,0|1,0,0]=3 2448 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,1,0,0,0,0|1,0,0]=3 2449 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,1,0,0,0,0|1,0,1]=4 2450 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,1,0,0,0,0|1,0,0]=3 2451 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,1,0,0,0,0|1,0,0]=3 2452 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,1,0,0,0,0|1,0,0]=3 2453 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|1,0,0]=3 2454 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,1,0,0,0,0|1,0,0]=3 2455 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,1,0,0,0,0|1,0,0]=3 2456 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,1,0,0,0,0|1,0,0]=3 2457 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,1,0,0,0,0|1,0,0]=3 2458 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,1,0,0,0,0|1,0,0]=3 2459 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,1,0,0,0,0|1,0,0]=3 2460 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,1,0,0,0,0|1,0,0]=3 2461 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,1,0,0,0,0|1,0,0]=3 2462 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,1,0,0,0,0|1,0,0]=3 2463 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,1,0,0,0,0|1,0,0]=3 2464 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,1,0,0,0,0|1,0,0]=3 2465 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,1,0,0,0,0|1,0,0]=3 2466 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,1,0,0,0,0|1,0,0]=3 2467 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,1,0,0,0,0|1,0,0]=3 2468 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,1,0,0,0,0|1,0,0]=3 2469 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,1,0,0,0,0|1,0,0]=3 2470 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,1,0,0,0,0|1,0,0]=3 2471 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,1,0,0,0,0|1,0,0]=3 2472 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,1,0,0,0,0|1,0,0]=3 2473 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,1,0,0,0,0|1,0,0]=3 2474 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,1,0,0,0,0|1,0,0]=3 2475 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,1,0,0,0,0|1,0,0]=3 2476 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,1,0,0,0,0|2,0,0]=4 2477 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,1,0,0,0,0|1,0,0]=3 2478 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,1,0,0,0,0|1,0,0]=3 2479 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,1,0,0,0,0|1,0,0]=3 2480 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,1,0,0,0,0|1,0,0]=3 2481 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,1,0,0,0,0|1,0,0]=3 2482 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,1,0,0,0,0|1,0,0]=3 2483 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,1,0,0,0,0|1,0,0]=3 2484 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,1,0,0,0,0|1,0,0]=3 2485 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,1,0,0,0,0|1,0,0]=3 2486 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,1,0,0,0,0|1,0,0]=3 2487 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,1,0,0,0,0|1,0,0]=3 2488 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,1,0,0,0,0|2,0,0]=4 2489 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,1,0,0,0,0|2,0,0]=4 2490 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,1,0,0,0,0|1,0,1]=4 2491 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,1,0,0,0,0|1,0,1]=4 2492 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,1,0,0,0,0|1,0,0]=3 2493 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,1,0,0,0,0|1,0,0]=3 2494 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|1,0,0]=3 2495 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|1,0,0]=3 2496 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,1,0,0,0,0|1,0,0]=3 2497 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,1,0,0,0,0|1,0,0]=3 2498 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,1,0,0,0,0|1,0,0]=3 2499 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,1,0,0,0,0|1,0,0]=3 2500 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,1,0,0,0,0|1,0,0]=3 2501 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,1,0,0,0,0|1,0,0]=3 2502 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,1,0,0,0,0|1,0,0]=3 2503 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,1,0,0,0,0|1,0,0]=3 2504 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,1,0,0,0,0|1,0,0]=3 2505 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,1,0,0,0,0|1,0,0]=3 2506 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,1,0,0,0,0|1,0,0]=3 2507 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,1,0,0,0,0|1,0,0]=3 2508 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,1,0,0,0,0|1,0,0]=3 2509 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,1,0,0,0,0|1,0,0]=3 2510 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,1,0,0,0,0|1,0,0]=3 2511 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,1,0,0,0,0|1,0,0]=3 2512 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,1,0,0,0,0|1,0,0]=3 2513 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,1,0,0,0,0|1,0,0]=3 2514 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 2515 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 2516 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|1,0,1]=4 2517 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|1,0,1]=4 2518 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,1,0,0,0,0|1,0,0]=3 2519 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,1,0,0,0,0|1,0,0]=3 2520 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,1,0,0,0,0|1,0,0]=3 2521 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,1,0,0,0,0|1,0,0]=3 2522 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,1,0,0,0,0|1,0,0]=3 2523 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,1,0,0,0,0|1,0,0]=3 2524 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,1,0,0,0,0|1,0,0]=3 2525 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,1,0,0,0,0|1,0,0]=3 2526 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,1,0,0,0,0|1,0,0]=3 2527 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,1,0,0,0,0|1,0,0]=3 2528 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,1,0,0,0,0|1,0,0]=3 2529 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,1,0,0,0,0|1,0,0]=3 2530 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,1,0,0,0,0|1,0,0]=3 2531 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,1,0,0,0,0|1,0,0]=3 2532 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,1,0,0,0,0|1,0,0]=3 2533 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,1,0,0,0,0|1,0,0]=3 2534 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,1,0,0,0,0|1,0,0]=3 2535 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,1,0,0,0,0|1,0,0]=3 2536 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,1,0,0,0,0|1,0,0]=3 2537 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,1,0,0,0,0|1,0,0]=3 2538 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,1,0,0,0,0|1,0,0]=3 2539 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2540 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,1,0,0,0,0|1,0,0]=3 2541 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,1,0,0,0,0|1,0,0]=3 2542 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,1,0,0,0,0|1,0,0]=3 2543 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,1,0,0,0,0|1,0,0]=3 2544 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,1,0,0,0,0|1,0,0]=3 2545 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,1,0,0,0,0|1,0,0]=3 2546 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,1,0,0,0,0|1,0,0]=3 2547 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,1,0,0,0,0|1,0,0]=3 2548 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,1,0,0,0,0|1,0,0]=3 2549 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,1,0,0,0,0|1,0,0]=3 2550 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,1,0,0,0,0|1,0,0]=3 2551 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,1,0,0,0,0|1,0,0]=3 2552 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,1,0,0,0,0|2,0,0]=4 2553 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,1,0,0,0,0|2,0,0]=4 2554 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,1,0,0,0,0|2,0,0]=4 2555 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,1,0,0,0,0|2,0,0]=4 2556 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,1,0,0,0,0|2,0,0]=4 2557 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,1,0,0,0,0|2,0,0]=4 2558 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,1,0,0,0,0|2,0,0]=4 2559 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,1,0,0,0,0|2,0,0]=4 2560 B6R0.6 COCSCOC 62a_100000766300_100000766300 [1,1,0,0,0,0|2,0,0]=4 2561 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,1,0,0,0,0|2,0,0]=4 2562 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,1,0,0,0,0|2,0,0]=4 2563 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,1,0,0,0,0|1,0,1]=4 2564 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,1,0,0,0,0|1,0,1]=4 2565 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|1,0,1]=4 2566 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|1,0,1]=4 2567 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,1,0,0,0,0|1,0,0]=3 2568 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,1,0,0,0,0|1,0,0]=3 2569 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,1,0,0,0,0|1,0,0]=3 2570 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,1,0,0,0,0|1,0,0]=3 2571 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,1,0,0,0,0|1,0,0]=3 2572 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,1,0,0,0,0|1,0,0]=3 2573 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,1,0,0,0,0|1,0,0]=3 2574 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,1,0,0,0,0|2,0,0]=4 2575 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,1,0,0,0,0|2,0,0]=4 2576 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,1,0,0,0,0|2,0,0]=4 2577 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,1,0,0,0,0|2,0,0]=4 2578 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,1,0,0,0,0|2,0,0]=4 2579 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,1,0,0,0,0|2,0,0]=4 2580 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,1,0,0,0,0|2,0,0]=4 2581 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,1,0,0,0,0|2,0,0]=4 2582 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,1,0,0,0,0|2,0,0]=4 2583 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,1,0,0,0,0|2,0,0]=4 2584 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,1,0,0,0,0|2,0,0]=4 2585 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,1,0,0,0,0|2,0,0]=4 2586 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,1,0,0,0,0|2,0,0]=4 2587 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,1,0,0,0,0|2,0,0]=4 2588 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [1,1,0,0,0,0|2,0,0]=4 2589 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,1,0,0,0,0|2,0,0]=4 2590 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,1,0,0,0,0|2,0,0]=4 2591 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,1,0,0,0,0|2,0,0]=4 2592 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [1,1,0,0,0,0|2,0,0]=4 2593 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2594 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,1,0,0,0,0|2,0,0]=4 2595 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,1,0,0,0,0|2,0,0]=4 2596 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,1,0,0,0,0|2,0,0]=4 2597 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,1,0,0,0,0|2,0,0]=4 2598 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,1,0,0,0,0|2,0,0]=4 2599 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,1,0,0,0,0|2,0,0]=4 2600 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,1,0,0,0,0|2,0,0]=4 2601 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,1,0,0,0,0|2,0,0]=4 2602 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,1,0,0,0,0|2,0,0]=4 2603 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,1,0,0,0,0|2,0,0]=4 2604 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,1,0,0,0,0|2,0,0]=4 2605 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,1,0,0,0,0|2,0,0]=4 2606 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,1,0,0,0,0|2,0,0]=4 2607 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2608 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2609 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,1,0,0,0,0|2,0,0]=4 2610 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2611 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,1,0,0,0,0|1,0,0]=3 2612 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,1,0,0,0,0|1,0,0]=3 2613 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,1,0,0,0,0|1,0,0]=3 2614 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,1,0,0,0,0|1,0,0]=3 2615 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,1,0,0,0,0|1,0,0]=3 2616 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,1,0,0,0,0|1,0,0]=3 2617 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,1,0,0,0,0|1,0,0]=3 2618 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,1,0,0,0,0|1,0,0]=3 2619 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,1,0,0,0,0|1,0,0]=3 2620 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,1,0,0,0,0|1,0,1]=4 2621 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,1,0,0,0,0|1,0,1]=4 2622 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|1,0,1]=4 2623 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|1,0,1]=4 2624 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,1,0,0,0,0|1,0,0]=3 2625 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,1,0,0,0,0|1,0,0]=3 2626 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,1,0,0,0,0|1,0,0]=3 2627 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,1,0,0,0,0|1,0,0]=3 2628 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|2,0,0]=4 2629 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|2,0,0]=4 2630 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|2,0,0]=4 2631 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|2,0,0]=4 2632 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|2,0,0]=4 2633 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|2,0,0]=4 2634 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|2,0,0]=4 2635 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|2,0,0]=4 2636 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|2,0,0]=4 2637 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|0,0,2]=4 2638 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|0,0,2]=4 2639 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|0,0,2]=4 2640 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|0,0,2]=4 2641 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 2642 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 2643 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 2644 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 2645 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,0]=3 2646 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,0]=3 2647 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,0]=3 2648 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,0]=3 2649 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|0,0,0]=2 2650 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|0,0,0]=2 2651 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|0,1,0]=3 2652 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|0,1,0]=3 2653 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|0,1,0]=3 2654 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|0,1,0]=3 2655 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [1,1,0,0,0,0|2,0,0]=4 2656 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [1,1,0,0,0,0|2,0,0]=4 2657 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [1,1,0,0,0,0|2,0,0]=4 2658 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [1,1,0,0,0,0|2,0,0]=4 2659 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [1,1,0,0,0,0|2,0,0]=4 2660 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|1,0,0]=3 2661 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|1,0,0]=3 2662 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,1,0,0,0,0|2,0,0]=4 2663 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [1,1,0,0,0,0|2,0,0]=4 2664 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [1,1,0,0,0,0|2,0,0]=4 2665 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [1,1,0,0,0,0|2,0,0]=4 2666 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [1,1,0,0,0,0|2,0,0]=4 2667 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2668 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2669 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,1,0,0,0,0|2,0,0]=4 2670 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [1,1,0,0,0,0|2,0,0]=4 2671 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [1,1,0,0,0,0|2,0,0]=4 2672 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [1,1,0,0,0,0|2,0,0]=4 2673 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [1,1,0,0,0,0|2,0,0]=4 2674 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2675 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2676 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,2,0,0,0,0|1,0,1]=4 2677 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,2,0,0,0,0|1,0,1]=4 2678 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,2,0,0,0,0|1,0,1]=4 2679 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|0,0,2]=4 2680 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|0,0,1]=3 2681 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,2,0,0,0,0|0,0,2]=4 2682 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,2,0,0,0,0|0,0,2]=4 2683 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,2,0,0,0,0|0,0,2]=4 2684 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,2,0,0,0,0|0,0,2]=4 2685 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,2,0,0,0,0|0,0,2]=4 2686 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.2 CCC(C)N(C)C(C)C 2230a_100000741768_100000210206 [0,2,0,0,0,0|2,0,0]=4 2688 B8R0.2 CCC(C)N(C)C(C)C 269982a_100000741768_100000210206 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.2 CCC(C)N(C)C(C)C 269982a_200000211004_100000758301 [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,2,0,0,0,0|0,0,1]=3 2691 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,2,0,0,0,0|1,0,1]=4 2692 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000228512_100000210202 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000746363_200000210301 [0,2,0,0,0,0|2,0,0]=4 2694 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000228512_100000204670 [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000746363_200000210301 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.2 CCN([13CH3])C(C)C(C)C 2230a_100000746363_200025704644 [0,2,0,0,0,0|2,0,0]=4 2697 B8R0.2 CCN([13CH3])C(C)C(C)C 269982a_100000746363_200025704644 [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,2,0,0,0,0|1,0,1]=4 2699 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,2,0,0,0,0|1,0,1]=4 2700 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|0,0,2]=4 2701 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2702 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,2,0,0,0,0|2,0,0]=4 2703 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,2,0,0,0,0|2,0,0]=4 2704 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,2,0,0,0,0|2,0,0]=4 2705 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|1,0,1]=4 2707 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|0,0,2]=4 2708 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|0,0,2]=4 2709 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|0,0,2]=4 2710 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2722 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,2,0,0,0,0|2,0,0]=4 2723 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2724 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2725 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2726 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,2,0,0,0,0|2,0,0]=4 2730 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,2,0,0,0,0|2,0,0]=4 2731 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,2,0,0,0,0|2,0,0]=4 2732 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,2,0,0,0,0|2,0,0]=4 2736 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|0,0,2]=4 2737 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,2,0,0,0,0|2,0,0]=4 2740 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|0,0,2]=4 2748 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|0,0,2]=4 2749 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|0,0,2]=4 2750 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|0,0,2]=4 2751 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,2,0,0,0,0|0,0,2]=4 2752 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|0,0,2]=4 2753 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|0,0,2]=4 2754 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|0,0,2]=4 2755 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|0,0,2]=4 2756 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|0,0,2]=4 2757 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 2758 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 2759 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 2760 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 2761 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|1,0,0]=3 2762 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|1,0,0]=3 2763 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|1,0,0]=3 2764 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,2,0,0,0,0|1,0,0]=3 2765 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,2,0,0,0,0|1,0,0]=3 2766 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,2,0,0,0,0|1,0,0]=3 2767 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|1,0,1]=4 2768 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|1,0,1]=4 2769 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|1,0,1]=4 2770 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|1,0,1]=4 2771 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,2,0,0,0,0|1,0,0]=3 2772 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,2,0,0,0,0|1,0,0]=3 2773 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,2,0,0,0,0|1,0,0]=3 2774 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,2,0,0,0,0|1,0,0]=3 2775 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,2,0,0,0,0|1,0,0]=3 2776 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,2,0,0,0,0|1,0,0]=3 2777 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,2,0,0,0,0|1,0,0]=3 2778 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,2,0,0,0,0|1,0,0]=3 2779 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,2,0,0,0,0|2,0,0]=4 2786 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,2,0,0,0,0|2,0,0]=4 2787 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,2,0,0,0,0|2,0,0]=4 2788 B8R0.5 CCCN(C)CC(F)F 2230a_100000747261_100011934356 [0,2,0,0,0,0|2,0,0]=4 2789 B8R0.5 CCCN(C)CC(F)F 269982a_100000747261_100011934356 [0,2,0,0,0,0|2,0,0]=4 2790 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,2,0,0,0,0|2,0,0]=4 2791 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,2,0,0,0,0|2,0,0]=4 2792 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|1,0,1]=4 2793 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|1,0,1]=4 2794 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 2795 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 2796 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 2797 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|0,0,2]=4 2798 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,2,0,0,0,0|1,0,0]=3 2799 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,2,0,0,0,0|1,0,0]=3 2800 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,2,0,0,0,0|1,0,0]=3 2801 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,2,0,0,0,0|1,0,0]=3 2802 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,2,0,0,0,0|1,0,0]=3 2803 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|1,0,1]=4 2804 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|1,0,1]=4 2805 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,2,0,0,0,0|1,0,0]=3 2806 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,2,0,0,0,0|1,0,0]=3 2807 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.5 CN(C)C[C@@H](O)CC#N 2230a_100102631434_100000001066 [0,2,0,0,0,0|1,0,1]=4 2810 B8R0.5 CNCC(C)CN(C)C 2230a_106832991635_100015348159 [0,2,0,0,0,0|2,0,0]=4 2811 B8R0.5 CNCC(C)CN(C)C 7a_106832991635_100015348159 [0,2,0,0,0,0|2,0,0]=4 2812 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|1,0,1]=4 2813 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|0,0,2]=4 2814 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|0,0,2]=4 2815 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,2,0,0,0,0|2,0,0]=4 2816 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,2,0,0,0,0|2,0,0]=4 2817 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,2,0,0,0,0|2,0,0]=4 2819 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,2,0,0,0,0|2,0,0]=4 2820 B8R0.5 COCC(O)CN(C)C 2230a_100000739405_200000210301 [0,2,0,0,0,0|1,0,0]=3 2821 B8R0.5 COCC(O)CN(C)C 269982a_100000739405_200000210301 [0,2,0,0,0,0|1,0,0]=3 2822 B8R0.5 COCC(O)CN(C)[13CH3] 2230a_100000739405_200025704644 [0,2,0,0,0,0|1,0,0]=3 2823 B8R0.5 COCC(O)CN(C)[13CH3] 269982a_100000739405_200025704644 [0,2,0,0,0,0|1,0,0]=3 2824 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,2,0,0,0,0|2,0,0]=4 2826 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,2,0,0,0,0|2,0,0]=4 2827 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2831 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|0,0,2]=4 2832 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|0,0,2]=4 2833 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [0,2,0,0,0,0|2,0,0]=4 2837 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,2,0,0,0,0|2,0,0]=4 2839 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|0,0,2]=4 2840 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|0,0,2]=4 2841 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|1,0,1]=4 2844 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [0,2,0,0,0,0|0,0,2]=4 2845 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [0,2,0,0,0,0|0,0,2]=4 2846 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [0,2,0,0,0,0|0,0,2]=4 2847 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [0,2,0,0,0,0|0,0,2]=4 2848 B8R0.16 C#CC(CC)OC(C)C 34a_100000758843_100000210206 [0,2,0,0,0,0|2,0,0]=4 2849 B8R0.16 C#CC(CC)OC(C)C 7a_100000758843_100000210206 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,2,0,0,0,0|0,0,2]=4 2851 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,2,0,0,0,0|0,0,2]=4 2852 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,2,0,0,0,0|0,0,2]=4 2853 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,2,0,0,0,0|0,0,2]=4 2854 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,2,0,0,0,0|2,0,0]=4 2856 B8R0.16 CC(C)CC(C#N)N[13CH3] 2230a_100000741378_200025704644 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2858 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [0,2,0,0,0,0|1,0,1]=4 2859 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2860 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.16 CC(C)NC(CO)CO 2230a_100000759517_100000210206 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|1,0,1]=4 2863 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.16 CCC(CC)NC(C)C 2230a_100000199018_100000210206 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.16 CCC(CC)SC(C)C 62a_100000210206_100000210505 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.16 CCC(CC)SC(C)C 62a_100000210505_100000210206 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.16 CCN(CC)CC(C)C 2230a_100000724800_100000210760 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.16 CCN(CC)CC(C)C 2230a_100000738554_100000210202 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.16 CCN(CC)CC(C)C 269956a_100000042499_100000210760 [0,2,0,0,0,0|2,0,0]=4 2873 B8R0.16 CCN(CC)CC(C)C 269982a_100000724800_100000210624 [0,2,0,0,0,0|2,0,0]=4 2874 B8R0.16 CCN(CC)CC(C)C 269982a_100000738554_100000204670 [0,2,0,0,0,0|2,0,0]=4 2875 B8R0.16 CCN(CC)CC(C)C 270004a_100000724800_100000210432 [0,2,0,0,0,0|2,0,0]=4 2876 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [0,2,0,0,0,0|2,0,0]=4 2877 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [0,2,0,0,0,0|2,0,0]=4 2878 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [0,2,0,0,0,0|2,0,0]=4 2879 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [0,2,0,0,0,0|2,0,0]=4 2881 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [0,2,0,0,0,0|2,0,0]=4 2882 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.16 CCN(CF)CC(C)C 269982a_100000738554_100015361967 [0,2,0,0,0,0|2,0,0]=4 2885 B8R0.16 CCN(CF)C[C@H](C)O 269982a_100000729506_100015361967 [0,2,0,0,0,0|2,0,0]=4 2886 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,2,0,0,0,0|1,0,1]=4 2887 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,2,0,0,0,0|1,0,1]=4 2888 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [0,2,0,0,0,0|1,0,0]=3 2889 B8R0.16 CNC(C#N)CC(C)C 2230a_100000741378_200000210301 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2891 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2892 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2893 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [0,2,0,0,0,0|1,0,1]=4 2894 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,2,0,0,0,0|1,0,1]=4 2895 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,2,0,0,0,0|1,0,1]=4 2896 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,2,0,0,0,0|1,0,1]=4 2897 B8R0.16 COC(CN(C)C)OC 2230a_100102631434_100000751394 [0,2,0,0,0,0|2,0,0]=4 2898 B8R0.16 COC(CN(C)C)OC 269982a_100000225562_200000210301 [0,2,0,0,0,0|2,0,0]=4 2899 B8R0.16 COC(CN(C)C)OC 270004a_100102631434_100000752162 [0,2,0,0,0,0|2,0,0]=4 2900 B8R0.16 COC(CN(C)[13CH3])OC 269982a_100000225562_200025704644 [0,2,0,0,0,0|2,0,0]=4 2901 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,2,0,0,0,0|0,0,2]=4 2902 B8R0.19 C#CC(C)NC(C)CC 2230a_100000707721_100000758301 [0,2,0,0,0,0|2,0,0]=4 2903 B8R0.19 C#CC(C)NC(C)CC 34a_100000707721_100011215416 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.19 C#CC(C)SC(C)CC 62a_200000035995_100000758301 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,2,0,0,0,0|2,0,0]=4 2906 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,2,0,0,0,0|2,0,0]=4 2907 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|0,0,2]=4 2908 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|0,0,2]=4 2909 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,2,0,0,0,0|2,0,0]=4 2910 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,2,0,0,0,0|2,0,0]=4 2911 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,2,0,0,0,0|0,0,2]=4 2912 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|0,0,2]=4 2913 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|1,0,0]=3 2915 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|0,0,0]=2 2916 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|0,0,0]=2 2917 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|0,0,2]=4 2918 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|0,0,2]=4 2919 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|1,0,0]=3 2920 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|0,0,2]=4 2921 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 2922 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 2923 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 2924 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 2925 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|1,0,1]=4 2926 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|1,0,1]=4 2927 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|1,0,1]=4 2928 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|1,0,1]=4 2929 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|1,0,1]=4 2930 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|1,0,1]=4 2931 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,2,0,0,0,0|1,0,0]=3 2932 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,2,0,0,0,0|1,0,0]=3 2933 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,2,0,0,0,0|1,0,0]=3 2934 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,2,0,0,0,0|1,0,0]=3 2935 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,2,0,0,0,0|1,0,0]=3 2936 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,2,0,0,0,0|1,0,0]=3 2937 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,2,0,0,0,0|1,0,0]=3 2938 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,2,0,0,0,0|2,0,0]=4 2939 B8R0.19 CCC(C)NC(C)C#N 2230a_100000209981_100000184139 [0,2,0,0,0,0|2,0,0]=4 2940 B8R0.19 CCC(C)NC(C)C#N 2230a_100000737613_100000758301 [0,2,0,0,0,0|2,0,0]=4 2941 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,2,0,0,0,0|1,0,0]=3 2942 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,2,0,0,0,0|2,0,0]=4 2943 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,2,0,0,0,0|2,0,0]=4 2944 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,2,0,0,0,0|2,0,0]=4 2945 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,2,0,0,0,0|2,0,0]=4 2946 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,2,0,0,0,0|1,0,0]=3 2947 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,2,0,0,0,0|2,0,0]=4 2948 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,2,0,0,0,0|2,0,0]=4 2949 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,2,0,0,0,0|2,0,0]=4 2950 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,2,0,0,0,0|2,0,0]=4 2951 B8R0.19 CCC(C)SC(C)C#N 62a_100000703298_100000758301 [0,2,0,0,0,0|2,0,0]=4 2952 B8R0.19 CCC(C)SC(C)C#N 62a_100000758301_100000703298 [0,2,0,0,0,0|2,0,0]=4 2953 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,2,0,0,0,0|1,0,0]=3 2954 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,2,0,0,0,0|2,0,0]=4 2955 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,2,0,0,0,0|2,0,0]=4 2956 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,2,0,0,0,0|2,0,0]=4 2957 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,2,0,0,0,0|2,0,0]=4 2958 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,2,0,0,0,0|2,0,0]=4 2959 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|0,0,1]=3 2960 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|0,0,1]=3 2961 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|0,0,1]=3 2962 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|0,0,1]=3 2963 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,2,0,0,0,0|0,0,0]=2 2964 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,2,0,0,0,0|0,0,0]=2 2965 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,2,0,0,0,0|0,0,0]=2 2966 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,2,0,0,0,0|0,0,0]=2 2967 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,2,0,0,0,0|0,0,0]=2 2968 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,2,0,0,0,0|0,0,0]=2 2969 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,2,0,0,0,0|1,0,0]=3 2970 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,2,0,0,0,0|1,0,0]=3 2971 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,2,0,0,0,0|1,0,0]=3 2972 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,2,0,0,0,0|2,0,0]=4 2973 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,2,0,0,0,0|2,0,0]=4 2974 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,2,0,0,0,0|1,0,0]=3 2975 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,2,0,0,0,0|1,0,0]=3 2976 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|1,0,1]=4 2977 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,2,0,0,0,0|1,0,0]=3 2978 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,2,0,0,0,0|1,0,0]=3 2979 B8R0.19 CN(CF)CC(O)CO 269982a_100011216503_100015361967 [0,2,0,0,0,0|2,0,0]=4 2980 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,2,0,0,0,0|1,0,1]=4 2981 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,2,0,0,0,0|0,0,1]=3 2982 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,2,0,0,0,0|0,0,2]=4 2983 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,2,0,0,0,0|0,0,2]=4 2984 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,2,0,0,0,0|0,0,2]=4 2985 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,2,0,0,0,0|0,0,2]=4 2986 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,2,0,0,0,0|0,0,2]=4 2987 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,2,0,0,0,0|0,0,2]=4 2988 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,2,0,0,0,0|2,0,0]=4 2989 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,2,0,0,0,0|2,0,0]=4 2990 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,2,0,0,0,0|2,0,0]=4 2991 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,2,0,0,0,0|2,0,0]=4 2992 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,2,0,0,0,0|2,0,0]=4 2993 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,2,0,0,0,0|2,0,0]=4 2994 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,2,0,0,0,0|2,0,0]=4 2995 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,2,0,0,0,0|2,0,0]=4 2996 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,2,0,0,0,0|2,0,0]=4 2997 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,2,0,0,0,0|2,0,0]=4 2998 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,2,0,0,0,0|2,0,0]=4 2999 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,2,0,0,0,0|2,0,0]=4 3000 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,2,0,0,0,0|2,0,0]=4 3001 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,2,0,0,0,0|2,0,0]=4 3002 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,2,0,0,0,0|0,0,1]=3 3003 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,2,0,0,0,0|2,0,0]=4 3004 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,2,0,0,0,0|2,0,0]=4 3005 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,2,0,0,0,0|2,0,0]=4 3006 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,2,0,0,0,0|0,0,2]=4 3007 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,2,0,0,0,0|0,0,2]=4 3008 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,2,0,0,0,0|0,0,2]=4 3009 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,2,0,0,0,0|0,0,2]=4 3010 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,2,0,0,0,0|2,0,0]=4 3012 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,2,0,0,0,0|2,0,0]=4 3013 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|0,0,2]=4 3015 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|0,0,2]=4 3016 B8R0.24 CCC(C)NC(C)(C)C 2230a_100000715429_100000758301 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.24 CCC(C)SC(C)(C)C 62a_100000211941_100000758301 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.24 CCC(C)SC(C)(C)C 62a_100000758301_100000211941 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000732750_200000210301 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000742839_100000210202 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000732750_200000210301 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000742839_100000204670 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [0,2,0,0,0,0|2,0,0]=4 3027 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [0,2,0,0,0,0|2,0,0]=4 3028 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [0,2,0,0,0,0|2,0,0]=4 3029 B8R0.24 CCN([13CH3])CC(C)(C)C 2230a_100000732750_200025704644 [0,2,0,0,0,0|2,0,0]=4 3030 B8R0.24 CCN([13CH3])CC(C)(C)C 269982a_100000732750_200025704644 [0,2,0,0,0,0|2,0,0]=4 3031 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [0,2,0,0,0,0|2,0,0]=4 3032 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [0,2,0,0,0,0|2,0,0]=4 3033 B8R0.24 CN[C@@H](C)CC(C)(C)C 2230a_106358413534_200000210301 [0,2,0,0,0,0|2,0,0]=4 3034 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,2,0,0,0,0|2,0,0]=4 3035 B8R0.24 C[C@@H](CC(C)(C)C)N[13CH3] 2230a_106358413534_200025704644 [0,2,0,0,0,0|2,0,0]=4 3036 B8R0.34 CC(C)CC(C)(C)N[13CH3] 2230a_100011346068_200025704644 [0,2,0,0,0,0|2,0,0]=4 3037 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|1,0,1]=4 3038 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|1,0,1]=4 3039 B8R0.34 CCC(C)(C)NC(C)C 2230a_100000211385_100000210206 [0,2,0,0,0,0|2,0,0]=4 3040 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,2,0,0,0,0|2,0,0]=4 3041 B8R0.34 CCC(C)(C)SC(C)C 62a_100000032637_100000210206 [0,2,0,0,0,0|2,0,0]=4 3042 B8R0.34 CCC(C)(C)SC(C)C 62a_100000210206_100000032637 [0,2,0,0,0,0|2,0,0]=4 3043 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|0,0,1]=3 3044 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|0,0,1]=3 3045 B8R0.34 CNC(C)(C)CC(C)C 2230a_100011346068_200000210301 [0,2,0,0,0,0|2,0,0]=4 3046 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,2,0,0,0,0|1,0,1]=4 3047 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,2,0,0,0,0|1,0,1]=4 3048 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,2,0,0,0,0|0,0,2]=4 3049 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,2,0,0,0,0|0,0,2]=4 3050 B8R0.1 C#CCCN(C)CCC 2230a_100000747261_100000688953 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.1 C#CCCN(C)CCC 269982a_100000747261_100000730999 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.1 C#CCNC(C)CCC 2230a_100000741246_100000038162 [0,2,0,0,0,0|1,0,1]=4 3053 B8R0.1 C#CCNC(C)CCC 34a_100000212058_100000766640 [0,2,0,0,0,0|1,0,1]=4 3054 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,2,0,0,0,0|1,0,1]=4 3055 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,2,0,0,0,0|1,0,1]=4 3056 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,2,0,0,0,0|1,0,1]=4 3057 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,2,0,0,0,0|1,0,1]=4 3058 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,2,0,0,0,0|1,0,1]=4 3059 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|0,0,2]=4 3060 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [0,2,0,0,0,0|2,0,0]=4 3061 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,2,0,0,0,0|1,0,1]=4 3062 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,2,0,0,0,0|1,0,1]=4 3063 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|0,0,2]=4 3064 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|0,0,2]=4 3065 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 3067 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,2,0,0,0,0|1,0,1]=4 3068 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 3069 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 3070 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 3071 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 3072 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,2,0,0,0,0|1,0,1]=4 3073 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,2,0,0,0,0|1,0,1]=4 3074 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,2,0,0,0,0|1,0,1]=4 3075 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,2,0,0,0,0|1,0,1]=4 3076 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,2,0,0,0,0|1,0,1]=4 3077 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,2,0,0,0,0|1,0,1]=4 3078 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,2,0,0,0,0|1,0,1]=4 3079 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,2,0,0,0,0|1,0,1]=4 3080 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,2,0,0,0,0|1,0,1]=4 3081 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,2,0,0,0,0|1,0,1]=4 3082 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,2,0,0,0,0|1,0,1]=4 3083 B8R0.1 CC#CC(C)OCCC 34a_100011216543_100000210303 [0,2,0,0,0,0|1,0,1]=4 3084 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,2,0,0,0,0|0,0,2]=4 3085 B8R0.1 CC#CCN(C)CCC 2230a_100000747261_100000748600 [0,2,0,0,0,0|2,0,0]=4 3086 B8R0.1 CC(CCBr)OCCF 34a_100012276601_100011217306 [0,2,0,0,0,0|2,0,0]=4 3087 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [0,2,0,0,0,0|2,0,0]=4 3088 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.1 CC(CCN)COCF 34a_106354213184_100015361967 [0,2,0,0,0,0|2,0,0]=4 3091 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,2,0,0,0,0|2,0,0]=4 3092 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,2,0,0,0,0|2,0,0]=4 3093 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,2,0,0,0,0|2,0,0]=4 3094 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,2,0,0,0,0|2,0,0]=4 3095 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,2,0,0,0,0|2,0,0]=4 3096 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,2,0,0,0,0|2,0,0]=4 3097 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,2,0,0,0,0|2,0,0]=4 3098 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,2,0,0,0,0|2,0,0]=4 3099 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,2,0,0,0,0|2,0,0]=4 3100 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|0,0,2]=4 3101 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|0,0,2]=4 3102 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [0,2,0,0,0,0|2,0,0]=4 3103 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,2,0,0,0,0|0,0,2]=4 3104 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [0,2,0,0,0,0|1,0,1]=4 3105 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [0,2,0,0,0,0|1,0,1]=4 3106 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|0,0,2]=4 3107 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,2,0,0,0,0|1,0,1]=4 3108 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,2,0,0,0,0|0,0,2]=4 3109 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,2,0,0,0,0|0,0,2]=4 3110 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|0,0,2]=4 3111 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|0,0,2]=4 3112 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|0,0,2]=4 3113 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|0,0,2]=4 3114 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|0,0,2]=4 3115 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|0,0,2]=4 3116 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|0,0,2]=4 3117 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|0,0,2]=4 3118 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|0,0,2]=4 3119 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|0,0,2]=4 3120 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|0,0,2]=4 3121 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|0,0,2]=4 3122 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|0,0,2]=4 3123 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 3124 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 3125 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 3126 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 3127 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|0,0,2]=4 3128 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|0,0,2]=4 3129 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,2,0,0,0,0|0,0,2]=4 3130 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,2,0,0,0,0|0,0,2]=4 3131 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,2,0,0,0,0|0,0,2]=4 3132 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|0,0,2]=4 3133 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|0,0,2]=4 3134 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|0,0,2]=4 3135 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,2,0,0,0,0|1,0,0]=3 3136 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,2,0,0,0,0|1,0,0]=3 3137 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,2,0,0,0,0|1,0,0]=3 3138 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,2,0,0,0,0|1,0,0]=3 3139 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,2,0,0,0,0|1,0,0]=3 3140 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,2,0,0,0,0|1,0,0]=3 3141 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,2,0,0,0,0|1,0,0]=3 3142 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,2,0,0,0,0|1,0,0]=3 3143 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,2,0,0,0,0|1,0,0]=3 3144 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,2,0,0,0,0|1,0,0]=3 3145 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,2,0,0,0,0|1,0,0]=3 3146 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,2,0,0,0,0|1,0,0]=3 3149 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,2,0,0,0,0|1,0,0]=3 3150 B8R0.1 CCCC(C)NCC#N 2230a_100000741246_100011215382 [0,2,0,0,0,0|1,0,1]=4 3151 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,2,0,0,0,0|1,0,0]=3 3153 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,2,0,0,0,0|1,0,0]=3 3154 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,2,0,0,0,0|1,0,0]=3 3155 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,2,0,0,0,0|1,0,0]=3 3156 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,2,0,0,0,0|1,0,0]=3 3157 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,2,0,0,0,0|1,0,0]=3 3158 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,2,0,0,0,0|1,0,0]=3 3159 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,2,0,0,0,0|1,0,0]=3 3160 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,2,0,0,0,0|1,0,1]=4 3161 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|1,0,1]=4 3162 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|1,0,1]=4 3163 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,2,0,0,0,0|1,0,0]=3 3164 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,2,0,0,0,0|1,0,0]=3 3165 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,2,0,0,0,0|1,0,0]=3 3166 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,2,0,0,0,0|1,0,0]=3 3167 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,2,0,0,0,0|1,0,0]=3 3168 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,2,0,0,0,0|1,0,0]=3 3169 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,2,0,0,0,0|1,0,0]=3 3170 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,2,0,0,0,0|1,0,1]=4 3171 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,2,0,0,0,0|1,0,1]=4 3172 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|1,0,1]=4 3173 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|1,0,1]=4 3174 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,2,0,0,0,0|1,0,0]=3 3175 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,2,0,0,0,0|1,0,0]=3 3176 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,2,0,0,0,0|1,0,0]=3 3177 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,2,0,0,0,0|1,0,0]=3 3178 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,2,0,0,0,0|1,0,0]=3 3179 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,2,0,0,0,0|1,0,0]=3 3180 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,2,0,0,0,0|1,0,0]=3 3181 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,2,0,0,0,0|1,0,0]=3 3182 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|0,0,2]=4 3183 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|0,0,2]=4 3184 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|0,0,2]=4 3185 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|0,0,2]=4 3186 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|0,0,2]=4 3187 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|0,0,2]=4 3188 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|0,0,2]=4 3189 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|0,0,2]=4 3190 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|0,0,2]=4 3191 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|0,0,2]=4 3192 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,2,0,0,0,0|1,0,0]=3 3193 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,2,0,0,0,0|1,0,0]=3 3194 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,2,0,0,0,0|1,0,0]=3 3195 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,2,0,0,0,0|1,0,0]=3 3196 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,2,0,0,0,0|1,0,0]=3 3197 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,2,0,0,0,0|1,0,0]=3 3198 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,2,0,0,0,0|1,0,0]=3 3199 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,2,0,0,0,0|1,0,0]=3 3200 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,2,0,0,0,0|1,0,0]=3 3201 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,2,0,0,0,0|1,0,0]=3 3202 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,2,0,0,0,0|2,0,0]=4 3203 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,2,0,0,0,0|1,0,0]=3 3205 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,2,0,0,0,0|1,0,0]=3 3206 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,2,0,0,0,0|2,0,0]=4 3207 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,2,0,0,0,0|2,0,0]=4 3208 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,2,0,0,0,0|2,0,0]=4 3209 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,2,0,0,0,0|2,0,0]=4 3210 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,2,0,0,0,0|2,0,0]=4 3211 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,2,0,0,0,0|2,0,0]=4 3212 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,2,0,0,0,0|2,0,0]=4 3213 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,2,0,0,0,0|2,0,0]=4 3214 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,2,0,0,0,0|2,0,0]=4 3215 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,2,0,0,0,0|2,0,0]=4 3216 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,2,0,0,0,0|2,0,0]=4 3217 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,2,0,0,0,0|2,0,0]=4 3218 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,2,0,0,0,0|2,0,0]=4 3219 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,2,0,0,0,0|2,0,0]=4 3220 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,2,0,0,0,0|2,0,0]=4 3221 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,2,0,0,0,0|2,0,0]=4 3222 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,2,0,0,0,0|2,0,0]=4 3223 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,2,0,0,0,0|2,0,0]=4 3224 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,2,0,0,0,0|2,0,0]=4 3225 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,2,0,0,0,0|2,0,0]=4 3226 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,2,0,0,0,0|2,0,0]=4 3227 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,2,0,0,0,0|2,0,0]=4 3228 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,2,0,0,0,0|2,0,0]=4 3229 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,2,0,0,0,0|2,0,0]=4 3230 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,2,0,0,0,0|1,0,0]=3 3231 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|1,0,0]=3 3232 B8R0.1 CCCN(C)CCC#N 2230a_100000176855_200000210301 [0,2,0,0,0,0|2,0,0]=4 3233 B8R0.1 CCCN(C)CCC#N 2230a_100000184479_100000210303 [0,2,0,0,0,0|2,0,0]=4 3234 B8R0.1 CCCN(C)CCC#N 2230a_100000747261_100011215226 [0,2,0,0,0,0|2,0,0]=4 3235 B8R0.1 CCCN(C)CCC#N 269982a_100000747261_100011215226 [0,2,0,0,0,0|2,0,0]=4 3236 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,2,0,0,0,0|2,0,0]=4 3237 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,2,0,0,0,0|2,0,0]=4 3238 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,2,0,0,0,0|2,0,0]=4 3239 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,2,0,0,0,0|2,0,0]=4 3240 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,2,0,0,0,0|2,0,0]=4 3241 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,2,0,0,0,0|2,0,0]=4 3242 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,2,0,0,0,0|2,0,0]=4 3243 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,2,0,0,0,0|2,0,0]=4 3244 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,2,0,0,0,0|2,0,0]=4 3245 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,2,0,0,0,0|2,0,0]=4 3246 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,2,0,0,0,0|2,0,0]=4 3247 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,2,0,0,0,0|2,0,0]=4 3248 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 3249 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|2,0,0]=4 3250 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 3251 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|2,0,0]=4 3252 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,2,0,0,0,0|2,0,0]=4 3253 B8R0.1 CCCN([13CH3])CCC#N 2230a_100000176855_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,2,0,0,0,0|2,0,0]=4 3255 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,2,0,0,0,0|2,0,0]=4 3256 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 3257 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 3258 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 3259 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 3260 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|0,0,2]=4 3261 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,2,0,0,0,0|0,0,2]=4 3262 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,2,0,0,0,0|0,0,2]=4 3263 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,2,0,0,0,0|0,0,2]=4 3264 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,2,0,0,0,0|0,0,2]=4 3265 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,2,0,0,0,0|0,0,2]=4 3266 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 3267 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 3268 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 3269 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|0,0,2]=4 3270 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 3271 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 3272 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 3273 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 3274 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 3275 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|0,0,2]=4 3276 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|0,0,2]=4 3277 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|0,0,2]=4 3278 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|0,0,2]=4 3279 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,2,0,0,0,0|0,0,2]=4 3280 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,2,0,0,0,0|0,0,2]=4 3281 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,2,0,0,0,0|0,0,2]=4 3282 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,2,0,0,0,0|0,0,2]=4 3283 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,2,0,0,0,0|0,0,2]=4 3284 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,2,0,0,0,0|0,0,2]=4 3285 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,2,0,0,0,0|1,0,0]=3 3286 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,2,0,0,0,0|1,0,0]=3 3287 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,2,0,0,0,0|1,0,0]=3 3288 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|1,0,0]=3 3289 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,2,0,0,0,0|1,0,0]=3 3291 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,2,0,0,0,0|1,0,0]=3 3292 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,2,0,0,0,0|1,0,0]=3 3293 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|0,0,2]=4 3294 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|0,0,2]=4 3295 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|0,0,2]=4 3296 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|0,0,2]=4 3297 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|0,0,2]=4 3298 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|0,0,2]=4 3299 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|0,0,2]=4 3300 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|0,0,2]=4 3301 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,2,0,0,0,0|1,0,0]=3 3302 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,2,0,0,0,0|1,0,0]=3 3303 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,2,0,0,0,0|1,0,0]=3 3304 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,2,0,0,0,0|1,0,0]=3 3305 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,2,0,0,0,0|1,0,0]=3 3306 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,2,0,0,0,0|1,0,0]=3 3307 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,2,0,0,0,0|1,0,0]=3 3308 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,2,0,0,0,0|1,0,0]=3 3309 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,2,0,0,0,0|1,0,0]=3 3310 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,2,0,0,0,0|1,0,0]=3 3311 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,2,0,0,0,0|1,0,0]=3 3312 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,2,0,0,0,0|1,0,1]=4 3313 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,2,0,0,0,0|1,0,1]=4 3314 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,2,0,0,0,0|1,0,0]=3 3315 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,2,0,0,0,0|1,0,0]=3 3316 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,2,0,0,0,0|1,0,0]=3 3317 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,2,0,0,0,0|1,0,0]=3 3318 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,2,0,0,0,0|1,0,0]=3 3319 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,2,0,0,0,0|1,0,0]=3 3320 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,2,0,0,0,0|1,0,0]=3 3321 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|1,0,0]=3 3322 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,2,0,0,0,0|1,0,0]=3 3323 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [0,2,0,0,0,0|1,0,0]=3 3324 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,2,0,0,0,0|0,0,2]=4 3325 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,2,0,0,0,0|0,0,2]=4 3326 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,2,0,0,0,0|0,0,2]=4 3327 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,2,0,0,0,0|0,0,2]=4 3328 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|0,0,2]=4 3329 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|0,0,2]=4 3330 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|0,0,2]=4 3331 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,2,0,0,0,0|0,0,2]=4 3332 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,2,0,0,0,0|0,0,2]=4 3333 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,2,0,0,0,0|0,0,2]=4 3334 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,2,0,0,0,0|0,0,2]=4 3335 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,2,0,0,0,0|0,0,2]=4 3336 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,2,0,0,0,0|0,0,2]=4 3337 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,2,0,0,0,0|0,0,2]=4 3338 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 3339 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 3340 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|0,0,2]=4 3341 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 3342 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,2,0,0,0,0|0,0,2]=4 3343 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,2,0,0,0,0|0,0,2]=4 3344 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,2,0,0,0,0|0,0,2]=4 3345 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,2,0,0,0,0|0,0,2]=4 3346 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,2,0,0,0,0|0,0,2]=4 3347 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,2,0,0,0,0|1,0,0]=3 3348 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,2,0,0,0,0|1,0,0]=3 3349 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,2,0,0,0,0|1,0,0]=3 3350 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,2,0,0,0,0|0,0,2]=4 3351 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,2,0,0,0,0|0,0,2]=4 3352 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|0,0,2]=4 3353 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,2,0,0,0,0|0,0,0]=2 3354 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,2,0,0,0,0|0,0,0]=2 3355 B8R0.1 CCNC[C@@H](O)CC#N 2230a_100015525214_100000001066 [0,2,0,0,0,0|0,0,1]=3 3356 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|0,0,2]=4 3357 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|0,0,2]=4 3358 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|0,0,2]=4 3359 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|0,0,2]=4 3360 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|0,0,2]=4 3361 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|0,0,2]=4 3362 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|0,0,2]=4 3363 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|0,0,2]=4 3364 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|0,0,2]=4 3365 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|0,0,2]=4 3366 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,2,0,0,0,0|1,0,0]=3 3367 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,2,0,0,0,0|1,0,0]=3 3368 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|0,0,2]=4 3369 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|0,0,2]=4 3370 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|0,0,2]=4 3371 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,2,0,0,0,0|1,0,0]=3 3372 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,2,0,0,0,0|1,0,0]=3 3373 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,2,0,0,0,0|1,0,0]=3 3374 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,2,0,0,0,0|2,0,0]=4 3375 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,2,0,0,0,0|2,0,0]=4 3376 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,2,0,0,0,0|1,0,0]=3 3377 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,2,0,0,0,0|0,0,0]=2 3378 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,2,0,0,0,0|0,0,0]=2 3379 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,2,0,0,0,0|0,0,0]=2 3380 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,2,0,0,0,0|0,0,0]=2 3381 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,2,0,0,0,0|0,0,0]=2 3382 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,2,0,0,0,0|2,0,0]=4 3383 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|0,0,2]=4 3384 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|0,0,2]=4 3385 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,2,0,0,0,0|0,0,0]=2 3386 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,2,0,0,0,0|0,0,0]=2 3387 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000001066_100000210202 [0,2,0,0,0,0|0,0,1]=3 3388 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000210202_100000001066 [0,2,0,0,0,0|0,0,1]=3 3389 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,2,0,0,0,0|2,0,0]=4 3390 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,2,0,0,0,0|2,0,0]=4 3391 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,2,0,0,0,0|2,0,0]=4 3392 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,2,0,0,0,0|2,0,0]=4 3393 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,2,0,0,0,0|2,0,0]=4 3394 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,2,0,0,0,0|2,0,0]=4 3395 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,2,0,0,0,0|2,0,0]=4 3396 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,2,0,0,0,0|2,0,0]=4 3397 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,2,0,0,0,0|2,0,0]=4 3398 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,2,0,0,0,0|2,0,0]=4 3399 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,2,0,0,0,0|1,0,0]=3 3400 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,2,0,0,0,0|1,0,0]=3 3401 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|0,0,2]=4 3402 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|0,0,2]=4 3403 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|0,0,2]=4 3404 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,2,0,0,0,0|2,0,0]=4 3405 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,2,0,0,0,0|2,0,0]=4 3406 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,2,0,0,0,0|2,0,0]=4 3407 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,2,0,0,0,0|2,0,0]=4 3408 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,2,0,0,0,0|2,0,0]=4 3409 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,2,0,0,0,0|2,0,0]=4 3410 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,2,0,0,0,0|2,0,0]=4 3411 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,2,0,0,0,0|2,0,0]=4 3412 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,2,0,0,0,0|2,0,0]=4 3413 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,2,0,0,0,0|2,0,0]=4 3414 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,2,0,0,0,0|2,0,0]=4 3415 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,2,0,0,0,0|2,0,0]=4 3416 B8R0.1 COCC(N)COCF 34a_100000724102_100015361967 [0,2,0,0,0,0|2,0,0]=4 3417 B8R0.1 COCC(O)CNCF 34a_100000756049_100015361967 [0,2,0,0,0,0|1,0,0]=3 3418 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,2,0,0,0,0|1,0,0]=3 3419 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,2,0,0,0,0|1,0,0]=3 3420 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|0,0,2]=4 3421 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|0,0,2]=4 3422 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|0,0,2]=4 3423 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|0,0,2]=4 3424 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|0,0,2]=4 3425 B8R0.1 COCCN(C)CCF 2230a_100000743101_100011217306 [0,2,0,0,0,0|2,0,0]=4 3426 B8R0.1 COCCN(C)CCF 269982a_100000743101_100011217306 [0,2,0,0,0,0|2,0,0]=4 3427 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [0,2,0,0,0,0|2,0,0]=4 3428 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [0,2,0,0,0,0|2,0,0]=4 3429 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [0,2,0,0,0,0|2,0,0]=4 3430 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [0,2,0,0,0,0|2,0,0]=4 3431 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,2,0,0,0,0|2,0,0]=4 3432 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,2,0,0,0,0|2,0,0]=4 3433 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 3434 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,2,0,0,0,0|2,0,0]=4 3435 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,2,0,0,0,0|2,0,0]=4 3437 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,2,0,0,0,0|2,0,0]=4 3438 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [0,2,0,0,0,0|2,0,0]=4 3440 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [0,2,0,0,0,0|2,0,0]=4 3441 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3442 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3443 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3444 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3445 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,2,0,0,0,0|2,0,0]=4 3446 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,2,0,0,0,0|2,0,0]=4 3447 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,2,0,0,0,0|2,0,0]=4 3448 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,2,0,0,0,0|2,0,0]=4 3449 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,2,0,0,0,0|2,0,0]=4 3450 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,2,0,0,0,0|2,0,0]=4 3451 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,2,0,0,0,0|2,0,0]=4 3455 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,2,0,0,0,0|1,0,0]=3 3456 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|0,0,2]=4 3457 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|0,0,2]=4 3458 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,2,0,0,0,0|2,0,0]=4 3459 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|0,0,2]=4 3460 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|0,0,2]=4 3461 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|0,0,2]=4 3462 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|0,0,2]=4 3463 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,2,0,0,0,0|2,0,0]=4 3464 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,2,0,0,0,0|2,0,0]=4 3466 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,2,0,0,0,0|2,0,0]=4 3467 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,2,0,0,0,0|2,0,0]=4 3468 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,2,0,0,0,0|2,0,0]=4 3469 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,2,0,0,0,0|2,0,0]=4 3470 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,2,0,0,0,0|2,0,0]=4 3471 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,2,0,0,0,0|1,0,0]=3 3472 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 3473 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,2,0,0,0,0|2,0,0]=4 3475 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,2,0,0,0,0|2,0,0]=4 3476 B8R0.1 CSCOC(C)CCBr 34a_100012276601_100011218213 [0,2,0,0,0,0|2,0,0]=4 3477 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,2,0,0,0,0|2,0,0]=4 3478 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,2,0,0,0,0|2,0,0]=4 3479 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,2,0,0,0,0|1,0,0]=3 3480 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|1,0,0]=3 3481 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,2,0,0,0,0|2,0,0]=4 3482 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,2,0,0,0,0|2,0,0]=4 3483 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,2,0,0,0,0|2,0,0]=4 3484 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,2,0,0,0,0|2,0,0]=4 3485 B8R0.1 N#CC[C@H](O)CSCF 62a_100000001066_100015361967 [0,2,0,0,0,0|1,0,1]=4 3486 B8R0.1 N#CC[C@H](O)CSCF 62a_100015361967_100000001066 [0,2,0,0,0,0|1,0,1]=4 3487 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|0,0,2]=4 3488 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|0,0,2]=4 3489 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,2,0,0,0,0|2,0,0]=4 3490 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,2,0,0,0,0|2,0,0]=4 3491 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|0,0,2]=4 3492 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,2,0,0,0,0|0,0,2]=4 3493 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|0,0,2]=4 3494 B8R0.3 C=CC(C)N(C)CCC 269982a_100000747261_100011215867 [0,2,0,0,0,0|2,0,0]=4 3495 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|0,0,2]=4 3496 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,2,0,0,0,0|2,0,0]=4 3497 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,2,0,0,0,0|2,0,0]=4 3498 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|0,0,2]=4 3499 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|0,0,2]=4 3500 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|0,0,2]=4 3501 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|0,0,2]=4 3502 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|0,0,2]=4 3503 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|0,0,2]=4 3504 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|0,0,2]=4 3505 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,0,2]=4 3506 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|0,0,2]=4 3507 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|2,0,0]=4 3508 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3509 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3510 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 3511 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 3512 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 3513 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 3514 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 3515 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 3516 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,2,0,0,0,0|2,0,0]=4 3517 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,2,0,0,0,0|2,0,0]=4 3518 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,2,0,0,0,0|0,0,2]=4 3519 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|0,0,1]=3 3520 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|0,0,1]=3 3521 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|1,0,1]=4 3522 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|0,0,2]=4 3523 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|0,0,2]=4 3524 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 3525 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 3526 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|0,0,2]=4 3527 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|0,0,2]=4 3528 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|0,0,0]=2 3529 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|1,0,0]=3 3530 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 3531 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 3532 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 3533 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 3534 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 3535 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 3536 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|1,0,1]=4 3537 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,1]=4 3538 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,1]=4 3539 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,1]=4 3540 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,1]=4 3541 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,1]=4 3542 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,2,0,0,0,0|1,0,0]=3 3543 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|1,0,0]=3 3544 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|1,0,0]=3 3545 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|1,0,0]=3 3546 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|1,0,0]=3 3547 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,2,0,0,0,0|1,0,0]=3 3548 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,2,0,0,0,0|1,0,0]=3 3549 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 3550 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 3551 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 3552 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 3553 B8R0.3 CCCN(C)C(C)C#N 2230a_100000747261_100000184139 [0,2,0,0,0,0|2,0,0]=4 3554 B8R0.3 CCCN(C)C(C)C#N 269982a_100000747261_100000703298 [0,2,0,0,0,0|2,0,0]=4 3555 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,2,0,0,0,0|1,0,0]=3 3556 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,2,0,0,0,0|1,0,0]=3 3557 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,2,0,0,0,0|1,0,0]=3 3558 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,2,0,0,0,0|1,0,0]=3 3559 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,2,0,0,0,0|1,0,0]=3 3560 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,2,0,0,0,0|1,0,0]=3 3561 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,2,0,0,0,0|2,0,0]=4 3562 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,2,0,0,0,0|2,0,0]=4 3563 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,2,0,0,0,0|2,0,0]=4 3564 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,2,0,0,0,0|2,0,0]=4 3565 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,2,0,0,0,0|2,0,0]=4 3566 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,2,0,0,0,0|2,0,0]=4 3568 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,2,0,0,0,0|1,0,0]=3 3569 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,2,0,0,0,0|1,0,0]=3 3570 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,2,0,0,0,0|2,0,0]=4 3571 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,2,0,0,0,0|2,0,0]=4 3572 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|0,0,0]=2 3573 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|0,0,1]=3 3574 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|0,0,1]=3 3575 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,2,0,0,0,0|2,0,0]=4 3576 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,2,0,0,0,0|2,0,0]=4 3577 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,2,0,0,0,0|2,0,0]=4 3578 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,2,0,0,0,0|2,0,0]=4 3579 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,2,0,0,0,0|2,0,0]=4 3580 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,2,0,0,0,0|2,0,0]=4 3581 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,2,0,0,0,0|2,0,0]=4 3582 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,2,0,0,0,0|2,0,0]=4 3583 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,2,0,0,0,0|2,0,0]=4 3584 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,2,0,0,0,0|2,0,0]=4 3585 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,2,0,0,0,0|2,0,0]=4 3586 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,2,0,0,0,0|2,0,0]=4 3587 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|0,0,2]=4 3588 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|0,0,2]=4 3589 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|0,0,2]=4 3590 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|0,0,1]=3 3591 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|1,0,1]=4 3592 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|0,0,2]=4 3593 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,2,0,0,0,0|1,0,0]=3 3594 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,2,0,0,0,0|1,0,0]=3 3595 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|0,0,2]=4 3596 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|1,0,0]=3 3597 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|0,0,2]=4 3598 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|0,0,2]=4 3599 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|0,0,2]=4 3600 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,2,0,0,0,0|1,0,1]=4 3601 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|1,0,1]=4 3602 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|0,0,2]=4 3603 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|0,0,2]=4 3604 B8R0.6 C#CCCCN(C)CC 2230a_100000225621_100000731252 [0,2,0,0,0,0|2,0,0]=4 3605 B8R0.6 C#CCCCN(C)CC 269982a_100000225621_100011215417 [0,2,0,0,0,0|2,0,0]=4 3606 B8R0.6 C#CCCNC(C)CC 2230a_100000209981_100000688953 [0,2,0,0,0,0|1,0,1]=4 3607 B8R0.6 C#CCCNC(C)CC 34a_100000755551_100011215416 [0,2,0,0,0,0|1,0,1]=4 3608 B8R0.6 C#CCCOC(C)CC 34a_100011215631_100011215416 [0,2,0,0,0,0|1,0,1]=4 3609 B8R0.6 C#CCCOC(C)CC 7a_100000210228_100000688953 [0,2,0,0,0,0|1,0,1]=4 3610 B8R0.6 C#CCCSC(C)CC 62a_100000688953_100000758301 [0,2,0,0,0,0|1,0,1]=4 3611 B8R0.6 C#CCCSC(C)CC 62a_100000758301_100000688953 [0,2,0,0,0,0|1,0,1]=4 3612 B8R0.6 C#CCNCC(C)CC 2230a_100020588543_100000038162 [0,2,0,0,0,0|1,0,1]=4 3613 B8R0.6 C#CCNCC(C)CC 34a_100000212058_100000748023 [0,2,0,0,0,0|1,0,1]=4 3614 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,2,0,0,0,0|0,0,1]=3 3615 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,2,0,0,0,0|0,0,1]=3 3616 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,2,0,0,0,0|1,0,1]=4 3617 B8R0.6 C#CCNC[C@@H](C)CC 34a_100000212058_100009816398 [0,2,0,0,0,0|1,0,1]=4 3618 B8R0.6 C#CCNC[C@@H](O)CF 34a_100000212058_100015614560 [0,2,0,0,0,0|1,0,1]=4 3619 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,2,0,0,0,0|1,0,1]=4 3620 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,2,0,0,0,0|1,0,1]=4 3621 B8R0.6 C#CCOCC(C)CC 34a_100000210247_100000748023 [0,2,0,0,0,0|1,0,1]=4 3622 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,2,0,0,0,0|0,0,1]=3 3623 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,2,0,0,0,0|1,0,1]=4 3624 B8R0.6 C#CCOC[C@@H](C)CC 34a_100000210247_100009816398 [0,2,0,0,0,0|1,0,1]=4 3625 B8R0.6 C#CCOC[C@@H](C)CC 7a_100009816381_100000038162 [0,2,0,0,0,0|1,0,1]=4 3626 B8R0.6 C#CCOC[C@@H](O)CF 34a_100000210247_100015614560 [0,2,0,0,0,0|1,0,1]=4 3627 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,2,0,0,0,0|1,0,1]=4 3628 B8R0.6 C#CCSCC(C)CC 62a_100000038162_100000748023 [0,2,0,0,0,0|1,0,1]=4 3629 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,2,0,0,0,0|0,0,1]=3 3630 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,2,0,0,0,0|1,0,1]=4 3631 B8R0.6 C#CCSC[C@@H](C)CC 62a_100000038162_100009816398 [0,2,0,0,0,0|1,0,1]=4 3632 B8R0.6 C#CCSC[C@@H](O)CF 62a_100000038162_100015614560 [0,2,0,0,0,0|1,0,1]=4 3633 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,2,0,0,0,0|1,0,1]=4 3634 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,2,0,0,0,0|1,0,1]=4 3635 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,2,0,0,0,0|1,0,1]=4 3636 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,2,0,0,0,0|1,0,1]=4 3637 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,2,0,0,0,0|1,0,1]=4 3638 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,2,0,0,0,0|0,0,2]=4 3639 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,2,0,0,0,0|0,0,2]=4 3640 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,2,0,0,0,0|0,0,2]=4 3641 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,2,0,0,0,0|0,0,2]=4 3642 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,2,0,0,0,0|0,0,2]=4 3643 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,2,0,0,0,0|0,0,2]=4 3644 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,2,0,0,0,0|0,0,2]=4 3645 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,2,0,0,0,0|0,0,2]=4 3646 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,2,0,0,0,0|0,0,2]=4 3647 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,2,0,0,0,0|0,0,2]=4 3648 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,2,0,0,0,0|0,0,2]=4 3649 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,2,0,0,0,0|0,0,2]=4 3650 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,2,0,0,0,0|0,0,2]=4 3651 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,2,0,0,0,0|0,0,2]=4 3652 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,2,0,0,0,0|0,0,2]=4 3653 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,2,0,0,0,0|0,0,2]=4 3654 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|0,0,2]=4 3655 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|0,0,2]=4 3656 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,2,0,0,0,0|2,0,0]=4 3657 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,2,0,0,0,0|2,0,0]=4 3658 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,2,0,0,0,0|1,0,1]=4 3659 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,2,0,0,0,0|1,0,1]=4 3661 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,2,0,0,0,0|1,0,1]=4 3662 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,2,0,0,0,0|1,0,1]=4 3663 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,2,0,0,0,0|1,0,1]=4 3664 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,2,0,0,0,0|1,0,1]=4 3665 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,2,0,0,0,0|1,0,1]=4 3666 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,2,0,0,0,0|1,0,1]=4 3667 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,2,0,0,0,0|0,0,1]=3 3668 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,2,0,0,0,0|0,0,1]=3 3669 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,2,0,0,0,0|1,0,1]=4 3670 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,2,0,0,0,0|1,0,1]=4 3671 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,2,0,0,0,0|1,0,1]=4 3672 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,2,0,0,0,0|1,0,1]=4 3673 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,2,0,0,0,0|1,0,1]=4 3674 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,2,0,0,0,0|1,0,1]=4 3675 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,2,0,0,0,0|0,0,1]=3 3676 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,2,0,0,0,0|1,0,1]=4 3677 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,2,0,0,0,0|1,0,1]=4 3678 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,2,0,0,0,0|1,0,1]=4 3679 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,2,0,0,0,0|1,0,1]=4 3680 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,2,0,0,0,0|1,0,1]=4 3681 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,2,0,0,0,0|1,0,1]=4 3682 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,2,0,0,0,0|1,0,1]=4 3683 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,2,0,0,0,0|0,0,1]=3 3684 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,2,0,0,0,0|0,0,1]=3 3685 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,2,0,0,0,0|1,0,1]=4 3686 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,2,0,0,0,0|1,0,1]=4 3688 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,2,0,0,0,0|1,0,1]=4 3689 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,2,0,0,0,0|1,0,1]=4 3690 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,2,0,0,0,0|1,0,1]=4 3691 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,2,0,0,0,0|1,0,1]=4 3692 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,2,0,0,0,0|1,0,1]=4 3693 B8R0.6 CC#CCNC(C)CC 2230a_100000209981_100000748600 [0,2,0,0,0,0|1,0,1]=4 3694 B8R0.6 CC#CCNC(C)CC 2230a_100000685387_100000758301 [0,2,0,0,0,0|1,0,1]=4 3695 B8R0.6 CC#CCNC(C)CC 34a_100000685387_100011215416 [0,2,0,0,0,0|1,0,1]=4 3696 B8R0.6 CC#CCOC(C)CC 34a_100000761923_100011215416 [0,2,0,0,0,0|1,0,1]=4 3697 B8R0.6 CC#CCOC(C)CC 7a_100000210228_100000748600 [0,2,0,0,0,0|1,0,1]=4 3698 B8R0.6 CC#CCSC(C)CC 62a_100000748600_100000758301 [0,2,0,0,0,0|1,0,1]=4 3699 B8R0.6 CC#CCSC(C)CC 62a_100000758301_100000748600 [0,2,0,0,0,0|1,0,1]=4 3700 B8R0.6 CC(CF)OCCCF 34a_100016041109_100011934791 [0,2,0,0,0,0|2,0,0]=4 3701 B8R0.6 CC(CF)OCCCF 7a_100016041109_100011934791 [0,2,0,0,0,0|2,0,0]=4 3702 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,2,0,0,0,0|2,0,0]=4 3703 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,2,0,0,0,0|2,0,0]=4 3704 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|2,0,0]=4 3705 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|2,0,0]=4 3706 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|2,0,0]=4 3707 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|2,0,0]=4 3708 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,2,0,0,0,0|2,0,0]=4 3709 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|2,0,0]=4 3710 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|2,0,0]=4 3711 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,2,0,0,0,0|2,0,0]=4 3712 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,2,0,0,0,0|2,0,0]=4 3713 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,2,0,0,0,0|2,0,0]=4 3714 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,2,0,0,0,0|2,0,0]=4 3715 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,2,0,0,0,0|2,0,0]=4 3716 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,2,0,0,0,0|2,0,0]=4 3717 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,2,0,0,0,0|2,0,0]=4 3718 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,2,0,0,0,0|2,0,0]=4 3719 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|0,0,2]=4 3720 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|0,0,2]=4 3721 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,2,0,0,0,0|2,0,0]=4 3722 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,2,0,0,0,0|2,0,0]=4 3723 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,2,0,0,0,0|1,0,1]=4 3724 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,2,0,0,0,0|1,0,1]=4 3725 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,2,0,0,0,0|1,0,1]=4 3726 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [0,2,0,0,0,0|0,0,1]=3 3728 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|0,0,2]=4 3729 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3730 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3731 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3733 B8R0.6 CCC#CCN(C)CC 2230a_100000225621_100009813939 [0,2,0,0,0,0|2,0,0]=4 3734 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|0,0,2]=4 3735 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|0,0,2]=4 3736 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|0,0,2]=4 3737 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|0,0,2]=4 3738 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|0,0,2]=4 3739 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|0,0,2]=4 3740 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|0,0,2]=4 3741 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|0,0,2]=4 3742 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|0,0,2]=4 3743 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|0,0,2]=4 3744 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|0,0,2]=4 3745 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|0,0,2]=4 3746 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|0,0,2]=4 3747 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|0,0,2]=4 3748 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|0,0,2]=4 3749 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|0,0,2]=4 3750 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|0,0,2]=4 3751 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|0,0,2]=4 3752 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|0,0,2]=4 3753 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|0,0,2]=4 3754 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 3755 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 3756 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 3757 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 3758 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|0,0,2]=4 3759 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|0,0,2]=4 3760 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|0,0,2]=4 3761 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|0,0,2]=4 3762 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|0,0,2]=4 3763 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|0,0,2]=4 3764 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|0,0,2]=4 3765 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|0,0,2]=4 3766 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|0,0,2]=4 3767 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|0,0,2]=4 3768 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|0,0,2]=4 3769 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 3770 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 3771 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 3772 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 3773 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|0,0,2]=4 3774 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|0,0,2]=4 3775 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,2,0,0,0,0|1,0,0]=3 3776 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,2,0,0,0,0|1,0,0]=3 3777 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,2,0,0,0,0|1,0,0]=3 3778 B8R0.6 CCC(C)CNCC#N 2230a_100020588543_100011215382 [0,2,0,0,0,0|1,0,1]=4 3779 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|1,0,1]=4 3780 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,2,0,0,0,0|1,0,0]=3 3781 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,2,0,0,0,0|1,0,0]=3 3782 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,2,0,0,0,0|1,0,0]=3 3783 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,2,0,0,0,0|1,0,0]=3 3784 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,2,0,0,0,0|1,0,0]=3 3785 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,2,0,0,0,0|1,0,0]=3 3786 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,2,0,0,0,0|1,0,0]=3 3787 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,2,0,0,0,0|1,0,0]=3 3788 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,2,0,0,0,0|1,0,0]=3 3789 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,2,0,0,0,0|1,0,0]=3 3790 B8R0.6 CCC(C)CSCC#N 62a_100000748023_100011215382 [0,2,0,0,0,0|1,0,1]=4 3791 B8R0.6 CCC(C)CSCC#N 62a_100011215382_100000748023 [0,2,0,0,0,0|1,0,1]=4 3792 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|1,0,1]=4 3793 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|1,0,1]=4 3794 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,2,0,0,0,0|1,0,0]=3 3795 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,2,0,0,0,0|1,0,0]=3 3796 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,2,0,0,0,0|1,0,0]=3 3797 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,2,0,0,0,0|1,0,0]=3 3798 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,2,0,0,0,0|1,0,0]=3 3799 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,2,0,0,0,0|1,0,0]=3 3800 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,2,0,0,0,0|1,0,0]=3 3801 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,2,0,0,0,0|1,0,0]=3 3802 B8R0.6 CCC(C)NCCC#N 2230a_100000209981_100011215226 [0,2,0,0,0,0|1,0,1]=4 3803 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,2,0,0,0,0|1,0,0]=3 3804 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,2,0,0,0,0|1,0,0]=3 3805 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,2,0,0,0,0|1,0,0]=3 3806 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,2,0,0,0,0|1,0,0]=3 3807 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,2,0,0,0,0|1,0,0]=3 3808 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,2,0,0,0,0|1,0,0]=3 3809 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|1,0,0]=3 3810 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|1,0,0]=3 3811 B8R0.6 CCC(C)OCCC#N 7a_100000210228_100000184422 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,2,0,0,0,0|1,0,0]=3 3813 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,2,0,0,0,0|1,0,0]=3 3814 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,2,0,0,0,0|1,0,0]=3 3815 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,2,0,0,0,0|1,0,0]=3 3816 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,2,0,0,0,0|1,0,0]=3 3818 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,2,0,0,0,0|1,0,0]=3 3819 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,2,0,0,0,0|1,0,0]=3 3820 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,2,0,0,0,0|2,0,0]=4 3821 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,2,0,0,0,0|1,0,0]=3 3822 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,2,0,0,0,0|1,0,0]=3 3823 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,2,0,0,0,0|1,0,0]=3 3824 B8R0.6 CCC(C)SCCC#N 62a_100000758301_100011215226 [0,2,0,0,0,0|1,0,1]=4 3825 B8R0.6 CCC(C)SCCC#N 62a_100011215226_100000758301 [0,2,0,0,0,0|1,0,1]=4 3826 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,2,0,0,0,0|1,0,0]=3 3827 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,2,0,0,0,0|1,0,0]=3 3828 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,2,0,0,0,0|1,0,0]=3 3829 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,2,0,0,0,0|1,0,0]=3 3830 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,2,0,0,0,0|1,0,0]=3 3831 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,2,0,0,0,0|1,0,0]=3 3832 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,2,0,0,0,0|1,0,0]=3 3833 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,2,0,0,0,0|1,0,0]=3 3834 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,2,0,0,0,0|0,0,1]=3 3835 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|0,0,1]=3 3836 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,2,0,0,0,0|0,0,0]=2 3837 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,2,0,0,0,0|0,0,0]=2 3838 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,2,0,0,0,0|0,0,0]=2 3839 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,2,0,0,0,0|0,0,0]=2 3840 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,2,0,0,0,0|0,0,0]=2 3841 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,2,0,0,0,0|0,0,0]=2 3842 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,2,0,0,0,0|0,0,0]=2 3843 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,2,0,0,0,0|0,0,0]=2 3844 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,2,0,0,0,0|0,0,0]=2 3845 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,2,0,0,0,0|0,0,1]=3 3846 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,2,0,0,0,0|0,0,1]=3 3847 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|0,0,1]=3 3848 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|0,0,1]=3 3849 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,2,0,0,0,0|0,0,0]=2 3850 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,2,0,0,0,0|0,0,0]=2 3851 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,2,0,0,0,0|0,0,0]=2 3852 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,2,0,0,0,0|0,0,0]=2 3853 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,2,0,0,0,0|0,0,0]=2 3854 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,2,0,0,0,0|0,0,0]=2 3855 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,2,0,0,0,0|0,0,0]=2 3856 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,2,0,0,0,0|0,0,0]=2 3857 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [0,2,0,0,0,0|1,0,1]=4 3858 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,2,0,0,0,0|0,0,2]=4 3859 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|0,0,2]=4 3860 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|0,0,2]=4 3861 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|0,0,2]=4 3862 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,2,0,0,0,0|2,0,0]=4 3863 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,2,0,0,0,0|2,0,0]=4 3864 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,2,0,0,0,0|2,0,0]=4 3865 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,2,0,0,0,0|2,0,0]=4 3866 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,2,0,0,0,0|2,0,0]=4 3867 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,2,0,0,0,0|2,0,0]=4 3868 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3869 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,2,0,0,0,0|2,0,0]=4 3870 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3871 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3872 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3873 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,2,0,0,0,0|2,0,0]=4 3874 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,2,0,0,0,0|2,0,0]=4 3875 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,2,0,0,0,0|2,0,0]=4 3876 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,2,0,0,0,0|2,0,0]=4 3877 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,2,0,0,0,0|2,0,0]=4 3878 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,2,0,0,0,0|2,0,0]=4 3880 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,2,0,0,0,0|2,0,0]=4 3881 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 3882 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 3883 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 3884 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 3885 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,2,0,0,0,0|1,0,0]=3 3886 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,2,0,0,0,0|1,0,0]=3 3887 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,2,0,0,0,0|1,0,0]=3 3888 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,2,0,0,0,0|2,0,0]=4 3889 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,2,0,0,0,0|2,0,0]=4 3890 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,2,0,0,0,0|2,0,0]=4 3891 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,2,0,0,0,0|1,0,0]=3 3892 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,2,0,0,0,0|1,0,0]=3 3893 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,2,0,0,0,0|1,0,0]=3 3894 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,2,0,0,0,0|2,0,0]=4 3895 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,2,0,0,0,0|2,0,0]=4 3896 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,2,0,0,0,0|2,0,0]=4 3897 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,2,0,0,0,0|2,0,0]=4 3898 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,2,0,0,0,0|2,0,0]=4 3899 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,2,0,0,0,0|1,0,0]=3 3900 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,2,0,0,0,0|1,0,0]=3 3901 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,2,0,0,0,0|2,0,0]=4 3902 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,2,0,0,0,0|2,0,0]=4 3903 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,2,0,0,0,0|2,0,0]=4 3904 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,2,0,0,0,0|2,0,0]=4 3905 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,2,0,0,0,0|2,0,0]=4 3906 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,2,0,0,0,0|1,0,0]=3 3907 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,2,0,0,0,0|1,0,0]=3 3908 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,2,0,0,0,0|2,0,0]=4 3909 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,2,0,0,0,0|0,0,0]=2 3910 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|2,0,0]=4 3911 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,2,0,0,0,0|2,0,0]=4 3912 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,2,0,0,0,0|1,0,0]=3 3913 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,2,0,0,0,0|0,0,2]=4 3914 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|0,0,2]=4 3915 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|0,0,2]=4 3916 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,2,0,0,0,0|1,0,0]=3 3917 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,2,0,0,0,0|2,0,0]=4 3918 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,2,0,0,0,0|2,0,0]=4 3919 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,2,0,0,0,0|2,0,0]=4 3920 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,2,0,0,0,0|0,0,0]=2 3921 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,2,0,0,0,0|1,0,0]=3 3922 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,2,0,0,0,0|1,0,0]=3 3923 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,2,0,0,0,0|1,0,0]=3 3924 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,2,0,0,0,0|2,0,0]=4 3925 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,2,0,0,0,0|1,0,0]=3 3926 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,2,0,0,0,0|1,0,0]=3 3927 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,2,0,0,0,0|2,0,0]=4 3928 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|0,0,2]=4 3929 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|0,0,2]=4 3930 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|0,0,2]=4 3931 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,2,0,0,0,0|1,0,0]=3 3932 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,2,0,0,0,0|1,0,0]=3 3933 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,2,0,0,0,0|2,0,0]=4 3934 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,2,0,0,0,0|0,0,0]=2 3935 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,2,0,0,0,0|0,0,0]=2 3936 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,2,0,0,0,0|1,0,0]=3 3937 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,2,0,0,0,0|1,0,0]=3 3938 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,2,0,0,0,0|1,0,0]=3 3939 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,2,0,0,0,0|1,0,0]=3 3940 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,2,0,0,0,0|2,0,0]=4 3941 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,2,0,0,0,0|2,0,0]=4 3942 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,2,0,0,0,0|1,0,0]=3 3943 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,2,0,0,0,0|1,0,0]=3 3944 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,2,0,0,0,0|1,0,0]=3 3945 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,2,0,0,0,0|1,0,0]=3 3946 B8R0.6 CCN(C)CCCC#N 2230a_100000225621_100000687738 [0,2,0,0,0,0|2,0,0]=4 3947 B8R0.6 CCN(C)CCCC#N 269982a_100000225621_100000687738 [0,2,0,0,0,0|2,0,0]=4 3948 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,2,0,0,0,0|2,0,0]=4 3949 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,2,0,0,0,0|2,0,0]=4 3950 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,2,0,0,0,0|2,0,0]=4 3951 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,2,0,0,0,0|2,0,0]=4 3952 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,2,0,0,0,0|2,0,0]=4 3953 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,2,0,0,0,0|2,0,0]=4 3954 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,2,0,0,0,0|2,0,0]=4 3955 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,2,0,0,0,0|2,0,0]=4 3956 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,2,0,0,0,0|2,0,0]=4 3957 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,2,0,0,0,0|2,0,0]=4 3958 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,2,0,0,0,0|2,0,0]=4 3959 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,2,0,0,0,0|2,0,0]=4 3960 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,2,0,0,0,0|2,0,0]=4 3961 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,2,0,0,0,0|2,0,0]=4 3962 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,2,0,0,0,0|2,0,0]=4 3963 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,2,0,0,0,0|2,0,0]=4 3964 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,2,0,0,0,0|2,0,0]=4 3965 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,2,0,0,0,0|2,0,0]=4 3966 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,2,0,0,0,0|2,0,0]=4 3967 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,2,0,0,0,0|2,0,0]=4 3968 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,2,0,0,0,0|1,0,0]=3 3969 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,2,0,0,0,0|2,0,0]=4 3970 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,2,0,0,0,0|2,0,0]=4 3971 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [0,2,0,0,0,0|1,0,1]=4 3972 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [0,2,0,0,0,0|1,0,1]=4 3973 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|0,0,2]=4 3974 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|0,0,2]=4 3975 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,2,0,0,0,0|1,0,0]=3 3976 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,2,0,0,0,0|2,0,0]=4 3977 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,2,0,0,0,0|2,0,0]=4 3978 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,2,0,0,0,0|2,0,0]=4 3979 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,2,0,0,0,0|2,0,0]=4 3980 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,2,0,0,0,0|1,0,0]=3 3981 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,2,0,0,0,0|1,0,0]=3 3982 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,2,0,0,0,0|2,0,0]=4 3983 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,2,0,0,0,0|2,0,0]=4 3984 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,2,0,0,0,0|2,0,0]=4 3985 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,2,0,0,0,0|2,0,0]=4 3986 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,2,0,0,0,0|2,0,0]=4 3987 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|0,0,2]=4 3988 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|0,0,2]=4 3989 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,2,0,0,0,0|2,0,0]=4 3990 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,2,0,0,0,0|2,0,0]=4 3991 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,2,0,0,0,0|1,0,0]=3 3992 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,2,0,0,0,0|1,0,0]=3 3993 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,2,0,0,0,0|1,0,0]=3 3994 B8R0.6 CC[C@H](C)COCC#N 7a_100009816381_100011215382 [0,2,0,0,0,0|1,0,1]=4 3995 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|1,0,1]=4 3996 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,2,0,0,0,0|1,0,0]=3 3997 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,2,0,0,0,0|1,0,0]=3 3998 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,2,0,0,0,0|1,0,0]=3 3999 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,2,0,0,0,0|1,0,0]=3 4000 B8R0.6 CC[C@H](C)CSCC#N 62a_100009816398_100011215382 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.6 CC[C@H](C)CSCC#N 62a_100011215382_100009816398 [0,2,0,0,0,0|1,0,1]=4 4002 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|1,0,1]=4 4003 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|1,0,1]=4 4004 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,2,0,0,0,0|1,0,0]=3 4005 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,2,0,0,0,0|1,0,0]=3 4006 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,2,0,0,0,0|1,0,0]=3 4007 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,2,0,0,0,0|1,0,0]=3 4008 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,2,0,0,0,0|1,0,0]=3 4009 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,2,0,0,0,0|1,0,0]=3 4010 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,2,0,0,0,0|1,0,0]=3 4011 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,2,0,0,0,0|1,0,0]=3 4012 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,2,0,0,0,0|2,0,0]=4 4013 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,2,0,0,0,0|2,0,0]=4 4014 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,2,0,0,0,0|2,0,0]=4 4015 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,2,0,0,0,0|2,0,0]=4 4016 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,2,0,0,0,0|2,0,0]=4 4017 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,2,0,0,0,0|2,0,0]=4 4018 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,2,0,0,0,0|2,0,0]=4 4019 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,2,0,0,0,0|2,0,0]=4 4020 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,2,0,0,0,0|2,0,0]=4 4021 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,2,0,0,0,0|2,0,0]=4 4023 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,2,0,0,0,0|2,0,0]=4 4024 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,2,0,0,0,0|2,0,0]=4 4025 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,2,0,0,0,0|2,0,0]=4 4026 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,2,0,0,0,0|2,0,0]=4 4027 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,2,0,0,0,0|2,0,0]=4 4028 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,2,0,0,0,0|2,0,0]=4 4029 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,2,0,0,0,0|2,0,0]=4 4030 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,2,0,0,0,0|2,0,0]=4 4031 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,2,0,0,0,0|2,0,0]=4 4032 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,2,0,0,0,0|2,0,0]=4 4033 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,2,0,0,0,0|2,0,0]=4 4034 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,2,0,0,0,0|2,0,0]=4 4035 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,2,0,0,0,0|2,0,0]=4 4036 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,2,0,0,0,0|2,0,0]=4 4037 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,2,0,0,0,0|2,0,0]=4 4038 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,2,0,0,0,0|2,0,0]=4 4039 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,2,0,0,0,0|2,0,0]=4 4040 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,2,0,0,0,0|2,0,0]=4 4041 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,2,0,0,0,0|1,0,0]=3 4042 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,2,0,0,0,0|1,0,0]=3 4043 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,2,0,0,0,0|1,0,0]=3 4044 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,2,0,0,0,0|2,0,0]=4 4045 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,2,0,0,0,0|2,0,0]=4 4046 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,2,0,0,0,0|1,0,0]=3 4047 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,2,0,0,0,0|1,0,0]=3 4048 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,2,0,0,0,0|1,0,0]=3 4049 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,2,0,0,0,0|1,0,0]=3 4050 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,2,0,0,0,0|2,0,0]=4 4051 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,2,0,0,0,0|2,0,0]=4 4052 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,2,0,0,0,0|2,0,0]=4 4053 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,2,0,0,0,0|2,0,0]=4 4054 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,2,0,0,0,0|2,0,0]=4 4055 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [0,2,0,0,0,0|2,0,0]=4 4056 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [0,2,0,0,0,0|2,0,0]=4 4057 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,2,0,0,0,0|2,0,0]=4 4058 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,2,0,0,0,0|2,0,0]=4 4059 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,2,0,0,0,0|2,0,0]=4 4060 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,2,0,0,0,0|2,0,0]=4 4061 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,2,0,0,0,0|2,0,0]=4 4062 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,2,0,0,0,0|2,0,0]=4 4063 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,2,0,0,0,0|2,0,0]=4 4064 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,2,0,0,0,0|2,0,0]=4 4065 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,2,0,0,0,0|1,0,0]=3 4066 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,2,0,0,0,0|2,0,0]=4 4067 B8R0.6 CSCOCC(Cl)CCl 34a_100000033668_100011218213 [0,2,0,0,0,0|2,0,0]=4 4068 B8R0.6 CSCOC[C@H](F)CN 34a_100015665980_100011218213 [0,2,0,0,0,0|2,0,0]=4 4069 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,2,0,0,0,0|1,0,0]=3 4070 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,2,0,0,0,0|1,0,0]=3 4071 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,2,0,0,0,0|2,0,0]=4 4072 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,2,0,0,0,0|2,0,0]=4 4073 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,2,0,0,0,0|1,0,0]=3 4074 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,2,0,0,0,0|1,0,0]=3 4075 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,2,0,0,0,0|1,0,0]=3 4076 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,2,0,0,0,0|1,0,0]=3 4077 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,2,0,0,0,0|2,0,0]=4 4078 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,2,0,0,0,0|2,0,0]=4 4079 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,2,0,0,0,0|2,0,0]=4 4080 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,2,0,0,0,0|2,0,0]=4 4081 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,2,0,0,0,0|2,0,0]=4 4082 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,2,0,0,0,0|2,0,0]=4 4083 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,2,0,0,0,0|2,0,0]=4 4084 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,2,0,0,0,0|2,0,0]=4 4085 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,2,0,0,0,0|2,0,0]=4 4086 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,2,0,0,0,0|2,0,0]=4 4087 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,2,0,0,0,0|2,0,0]=4 4088 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,2,0,0,0,0|2,0,0]=4 4089 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,2,0,0,0,0|2,0,0]=4 4090 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,2,0,0,0,0|2,0,0]=4 4091 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,2,0,0,0,0|2,0,0]=4 4092 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,2,0,0,0,0|2,0,0]=4 4093 B8R0.6 FCCOCC(Cl)CCl 34a_100000033668_100011217306 [0,2,0,0,0,0|2,0,0]=4 4094 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,2,0,0,0,0|1,0,1]=4 4095 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,2,0,0,0,0|1,0,1]=4 4096 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,2,0,0,0,0|1,0,1]=4 4097 B8R0.6 N#CCSC[C@@H](O)CF 62a_100011215382_100015614560 [0,2,0,0,0,0|1,0,1]=4 4098 B8R0.6 N#CCSC[C@@H](O)CF 62a_100015614560_100011215382 [0,2,0,0,0,0|1,0,1]=4 4099 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,2,0,0,0,0|1,0,1]=4 4100 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,2,0,0,0,0|1,0,1]=4 4101 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,2,0,0,0,0|1,0,0]=3 4102 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,2,0,0,0,0|1,0,0]=3 4103 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,2,0,0,0,0|1,0,0]=3 4104 B8R0.6 NC[C@@H](F)COCCF 34a_100015665980_100011217306 [0,2,0,0,0,0|2,0,0]=4 4105 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,2,0,0,0,0|2,0,0]=4 4106 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|1,0,1]=4 4107 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,2,0,0,0,0|1,0,1]=4 4108 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,2,0,0,0,0|1,0,1]=4 4109 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,2,0,0,0,0|1,0,1]=4 4110 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,2,0,0,0,0|1,0,1]=4 4111 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,2,0,0,0,0|1,0,1]=4 4112 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,2,0,0,0,0|1,0,1]=4 4113 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,2,0,0,0,0|1,0,0]=3 4114 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,2,0,0,0,0|1,0,0]=3 4115 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,2,0,0,0,0|1,0,0]=3 4117 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,2,0,0,0,0|1,0,0]=3 4118 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,2,0,0,0,0|1,0,0]=3 4119 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,2,0,0,0,0|2,0,0]=4 4120 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,2,0,0,0,0|1,0,0]=3 4121 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,2,0,0,0,0|1,0,0]=3 4122 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,2,0,0,0,0|1,0,0]=3 4123 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,2,0,0,0,0|1,0,0]=3 4124 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,2,0,0,0,0|1,0,0]=3 4125 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,2,0,0,0,0|2,0,0]=4 4126 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,2,0,0,0,0|1,0,0]=3 4127 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,2,0,0,0,0|1,0,0]=3 4128 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,2,0,0,0,0|1,0,0]=3 4129 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,2,0,0,0,0|1,0,0]=3 4130 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,2,0,0,0,0|1,0,0]=3 4131 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,2,0,0,0,0|1,0,0]=3 4132 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,2,0,0,0,0|1,0,0]=3 4133 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,2,0,0,0,0|2,0,0]=4 4134 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,2,0,0,0,0|1,0,0]=3 4135 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,2,0,0,0,0|1,0,0]=3 4136 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,2,0,0,0,0|1,0,0]=3 4137 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,2,0,0,0,0|1,0,0]=3 4138 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,2,0,0,0,0|1,0,0]=3 4139 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,2,0,0,0,0|1,0,0]=3 4140 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,2,0,0,0,0|1,0,0]=3 4141 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,2,0,0,0,0|1,0,0]=3 4142 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,2,0,0,0,0|1,0,1]=4 4143 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|0,0,2]=4 4144 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|0,0,2]=4 4145 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,2,0,0,0,0|2,0,0]=4 4146 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,2,0,0,0,0|2,0,0]=4 4147 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,2,0,0,0,0|2,0,0]=4 4148 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,2,0,0,0,0|2,0,0]=4 4149 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|1,0,0]=3 4150 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,2,0,0,0,0|1,0,0]=3 4151 B8R0.8 CC(C)N(C)CCCF 269982a_200000211004_100011934791 [0,2,0,0,0,0|2,0,0]=4 4152 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,2,0,0,0,0|2,0,0]=4 4153 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,2,0,0,0,0|2,0,0]=4 4154 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,2,0,0,0,0|2,0,0]=4 4155 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,2,0,0,0,0|2,0,0]=4 4156 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,2,0,0,0,0|2,0,0]=4 4157 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,2,0,0,0,0|2,0,0]=4 4158 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,2,0,0,0,0|2,0,0]=4 4159 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,2,0,0,0,0|2,0,0]=4 4160 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|0,0,2]=4 4161 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|0,0,2]=4 4162 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|0,0,2]=4 4163 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|0,0,2]=4 4164 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|0,0,2]=4 4165 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|0,0,2]=4 4166 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|0,0,2]=4 4167 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,1]=4 4168 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,1]=4 4169 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,1]=4 4170 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,2,0,0,0,0|2,0,0]=4 4171 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,2,0,0,0,0|2,0,0]=4 4172 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,2,0,0,0,0|2,0,0]=4 4173 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|0,0,1]=3 4174 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|0,0,1]=3 4175 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,2,0,0,0,0|2,0,0]=4 4176 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,2,0,0,0,0|2,0,0]=4 4177 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,2,0,0,0,0|2,0,0]=4 4178 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,2,0,0,0,0|2,0,0]=4 4179 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,2,0,0,0,0|2,0,0]=4 4180 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,2,0,0,0,0|2,0,0]=4 4181 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,2,0,0,0,0|2,0,0]=4 4182 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 4183 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 4184 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 4185 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 4186 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 4187 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 4188 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 4189 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 4190 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|0,0,2]=4 4191 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|0,0,2]=4 4192 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|0,0,2]=4 4193 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,2,0,0,0,0|1,0,0]=3 4194 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|1,0,1]=4 4195 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,2,0,0,0,0|1,0,0]=3 4196 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|1,0,1]=4 4197 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|1,0,1]=4 4198 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|0,0,2]=4 4199 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,2,0,0,0,0|0,0,0]=2 4200 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|0,0,0]=2 4201 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|0,0,2]=4 4202 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|0,0,2]=4 4203 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|1,0,1]=4 4204 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|1,0,1]=4 4205 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,2,0,0,0,0|2,0,0]=4 4206 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|1,0,0]=3 4207 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|0,0,2]=4 4208 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|0,0,2]=4 4209 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|0,0,2]=4 4210 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,2,0,0,0,0|2,0,0]=4 4211 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|0,0,2]=4 4212 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|0,0,2]=4 4213 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|0,0,2]=4 4214 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|0,0,2]=4 4215 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|0,0,2]=4 4216 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,2,0,0,0,0|2,0,0]=4 4217 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|1,0,0]=3 4218 B8R0.8 COCCN(C)C(C)C 2230a_100000743101_100000210206 [0,2,0,0,0,0|2,0,0]=4 4219 B8R0.8 COCCN(C)C(C)C 2230a_200000223778_200000210301 [0,2,0,0,0,0|2,0,0]=4 4220 B8R0.8 COCCN(C)C(C)C 269982a_100000743101_100000210206 [0,2,0,0,0,0|2,0,0]=4 4221 B8R0.8 COCCN(C)C(C)C 269982a_200000211004_100000233755 [0,2,0,0,0,0|2,0,0]=4 4222 B8R0.8 COCCN(C)C(C)C 269982a_200000223778_200000210301 [0,2,0,0,0,0|2,0,0]=4 4223 B8R0.8 COCCN([13CH3])C(C)C 2230a_200000223778_200025704644 [0,2,0,0,0,0|2,0,0]=4 4224 B8R0.8 COCCN([13CH3])C(C)C 269982a_200000223778_200025704644 [0,2,0,0,0,0|2,0,0]=4 4225 B8R0.8 COCNC(C)C(C)C 2230a_100000211541_100000766300 [0,2,0,0,0,0|2,0,0]=4 4226 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|0,0,2]=4 4227 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|0,0,2]=4 4228 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|0,0,2]=4 4229 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|0,0,2]=4 4230 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|0,0,2]=4 4231 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,2,0,0,0,0|2,0,0]=4 4232 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|0,0,1]=3 4233 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|0,0,1]=3 4234 B8R0.8 CSCCN(C)C(C)C 2230a_100000686725_100000210206 [0,2,0,0,0,0|2,0,0]=4 4235 B8R0.8 CSCCN(C)C(C)C 269982a_100000686725_100000210206 [0,2,0,0,0,0|2,0,0]=4 4236 B8R0.8 CSCCN(C)C(C)C 269982a_200000211004_100000212216 [0,2,0,0,0,0|2,0,0]=4 4237 B8R0.8 CSCNC(C)C(C)C 2230a_100000211541_100011218213 [0,2,0,0,0,0|2,0,0]=4 4238 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|0,0,2]=4 4239 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|0,0,2]=4 4240 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|0,0,2]=4 4241 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|0,0,2]=4 4242 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|0,0,2]=4 4243 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|0,0,2]=4 4244 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,2,0,0,0,0|2,0,0]=4 4245 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,2,0,0,0,0|2,0,0]=4 4246 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,2,0,0,0,0|2,0,0]=4 4247 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,2,0,0,0,0|1,0,1]=4 4248 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,2,0,0,0,0|1,0,1]=4 4251 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,2,0,0,0,0|1,0,1]=4 4252 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,2,0,0,0,0|0,0,2]=4 4253 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,2,0,0,0,0|0,0,2]=4 4254 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,2,0,0,0,0|0,0,2]=4 4255 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,2,0,0,0,0|0,0,2]=4 4256 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,2,0,0,0,0|0,0,2]=4 4257 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,2,0,0,0,0|1,0,1]=4 4258 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,2,0,0,0,0|1,0,1]=4 4259 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,2,0,0,0,0|2,0,0]=4 4260 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,2,0,0,0,0|2,0,0]=4 4261 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,2,0,0,0,0|2,0,0]=4 4262 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,2,0,0,0,0|2,0,0]=4 4263 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,2,0,0,0,0|2,0,0]=4 4264 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,2,0,0,0,0|2,0,0]=4 4265 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,2,0,0,0,0|2,0,0]=4 4266 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,2,0,0,0,0|2,0,0]=4 4267 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,2,0,0,0,0|2,0,0]=4 4268 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,2,0,0,0,0|2,0,0]=4 4269 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,2,0,0,0,0|2,0,0]=4 4270 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,2,0,0,0,0|2,0,0]=4 4271 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,2,0,0,0,0|2,0,0]=4 4272 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,2,0,0,0,0|2,0,0]=4 4273 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,2,0,0,0,0|2,0,0]=4 4274 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,2,0,0,0,0|2,0,0]=4 4275 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,2,0,0,0,0|2,0,0]=4 4276 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,2,0,0,0,0|2,0,0]=4 4277 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,2,0,0,0,0|1,0,0]=3 4278 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,2,0,0,0,0|1,0,0]=3 4279 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,2,0,0,0,0|2,0,0]=4 4280 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,2,0,0,0,0|2,0,0]=4 4281 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,2,0,0,0,0|2,0,0]=4 4282 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,2,0,0,0,0|1,0,0]=3 4283 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,2,0,0,0,0|1,0,0]=3 4284 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,2,0,0,0,0|1,0,0]=3 4285 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,2,0,0,0,0|1,0,0]=3 4286 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,2,0,0,0,0|1,0,0]=3 4287 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,2,0,0,0,0|2,0,0]=4 4288 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,2,0,0,0,0|1,0,0]=3 4289 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,2,0,0,0,0|2,0,0]=4 4290 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,2,0,0,0,0|1,0,0]=3 4291 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,2,0,0,0,0|1,0,0]=3 4292 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,2,0,0,0,0|2,0,0]=4 4293 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,2,0,0,0,0|1,0,0]=3 4294 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,2,0,0,0,0|1,0,0]=3 4295 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,2,0,0,0,0|2,0,0]=4 4296 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,2,0,0,0,0|2,0,0]=4 4297 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,2,0,0,0,0|1,0,0]=3 4298 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,2,0,0,0,0|1,0,0]=3 4299 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,2,0,0,0,0|1,0,0]=3 4300 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,2,0,0,0,0|1,0,0]=3 4301 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,2,0,0,0,0|2,0,0]=4 4302 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,2,0,0,0,0|2,0,0]=4 4303 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,2,0,0,0,0|2,0,0]=4 4304 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|2,0,0]=4 4305 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,2,0,0,0,0|2,0,0]=4 4306 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,2,0,0,0,0|2,0,0]=4 4307 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,2,0,0,0,0|2,0,0]=4 4308 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,2,0,0,0,0|2,0,0]=4 4309 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,2,0,0,0,0|2,0,0]=4 4310 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,2,0,0,0,0|2,0,0]=4 4311 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|2,0,0]=4 4312 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,2,0,0,0,0|2,0,0]=4 4313 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,2,0,0,0,0|2,0,0]=4 4314 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,2,0,0,0,0|2,0,0]=4 4315 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,2,0,0,0,0|2,0,0]=4 4316 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,2,0,0,0,0|2,0,0]=4 4317 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,2,0,0,0,0|2,0,0]=4 4318 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,2,0,0,0,0|2,0,0]=4 4319 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|0,0,2]=4 4320 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|0,0,2]=4 4321 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|0,0,2]=4 4322 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,2,0,0,0,0|0,0,2]=4 4323 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|0,0,2]=4 4324 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|0,0,2]=4 4325 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|0,0,2]=4 4326 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|0,0,2]=4 4327 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|0,0,2]=4 4328 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 4329 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 4330 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 4331 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 4332 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|0,0,2]=4 4333 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|0,0,2]=4 4334 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|0,0,2]=4 4335 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|1,0,0]=3 4336 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|1,0,0]=3 4337 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,2,0,0,0,0|1,0,1]=4 4338 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,2,0,0,0,0|1,0,1]=4 4339 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,2,0,0,0,0|1,0,1]=4 4340 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,2,0,0,0,0|1,0,1]=4 4341 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,2,0,0,0,0|1,0,0]=3 4342 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,2,0,0,0,0|1,0,0]=3 4343 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,2,0,0,0,0|1,0,0]=3 4344 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,2,0,0,0,0|1,0,0]=3 4345 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,2,0,0,0,0|1,0,0]=3 4346 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,2,0,0,0,0|1,0,0]=3 4347 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,2,0,0,0,0|1,0,0]=3 4348 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,2,0,0,0,0|1,0,0]=3 4349 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,2,0,0,0,0|1,0,0]=3 4350 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,2,0,0,0,0|1,0,0]=3 4351 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,2,0,0,0,0|1,0,0]=3 4352 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,2,0,0,0,0|1,0,0]=3 4353 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,2,0,0,0,0|1,0,0]=3 4354 B8R0.9 CCC(C)NCC(F)F 2230a_100000209981_100011934356 [0,2,0,0,0,0|2,0,0]=4 4355 B8R0.9 CCC(C)NCC(F)F 34a_100000765723_100011215416 [0,2,0,0,0,0|2,0,0]=4 4356 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,2,0,0,0,0|1,0,0]=3 4357 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|1,0,1]=4 4358 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,2,0,0,0,0|1,0,0]=3 4359 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,2,0,0,0,0|1,0,0]=3 4360 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,2,0,0,0,0|1,0,0]=3 4361 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,2,0,0,0,0|1,0,0]=3 4362 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,2,0,0,0,0|1,0,0]=3 4363 B8R0.9 CCC(C)OCC(F)F 34a_100000743014_100011215416 [0,2,0,0,0,0|2,0,0]=4 4364 B8R0.9 CCC(C)OCC(F)F 7a_100000210228_100011934356 [0,2,0,0,0,0|2,0,0]=4 4365 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,2,0,0,0,0|1,0,0]=3 4366 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,2,0,0,0,0|1,0,0]=3 4367 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,2,0,0,0,0|1,0,0]=3 4368 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,2,0,0,0,0|1,0,0]=3 4369 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,2,0,0,0,0|1,0,0]=3 4370 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,2,0,0,0,0|1,0,0]=3 4371 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,2,0,0,0,0|1,0,0]=3 4372 B8R0.9 CCC(C)SCC(F)F 62a_100000758301_100011934356 [0,2,0,0,0,0|2,0,0]=4 4373 B8R0.9 CCC(C)SCC(F)F 62a_100011934356_100000758301 [0,2,0,0,0,0|2,0,0]=4 4374 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,2,0,0,0,0|1,0,0]=3 4375 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,2,0,0,0,0|1,0,0]=3 4376 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,2,0,0,0,0|0,0,1]=3 4377 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,2,0,0,0,0|0,0,1]=3 4378 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,2,0,0,0,0|0,0,1]=3 4379 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,2,0,0,0,0|0,0,0]=2 4380 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,2,0,0,0,0|0,0,0]=2 4381 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,2,0,0,0,0|0,0,0]=2 4382 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,2,0,0,0,0|0,0,0]=2 4383 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,2,0,0,0,0|0,0,0]=2 4384 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,2,0,0,0,0|0,0,0]=2 4385 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,2,0,0,0,0|2,0,0]=4 4386 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,2,0,0,0,0|2,0,0]=4 4387 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,2,0,0,0,0|2,0,0]=4 4388 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,2,0,0,0,0|2,0,0]=4 4389 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,2,0,0,0,0|2,0,0]=4 4390 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,2,0,0,0,0|2,0,0]=4 4391 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,2,0,0,0,0|2,0,0]=4 4392 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,2,0,0,0,0|2,0,0]=4 4393 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,2,0,0,0,0|2,0,0]=4 4394 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,2,0,0,0,0|2,0,0]=4 4395 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,2,0,0,0,0|2,0,0]=4 4396 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [0,2,0,0,0,0|2,0,0]=4 4397 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [0,2,0,0,0,0|2,0,0]=4 4398 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [0,2,0,0,0,0|2,0,0]=4 4399 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,2,0,0,0,0|2,0,0]=4 4400 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,2,0,0,0,0|2,0,0]=4 4401 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,2,0,0,0,0|2,0,0]=4 4402 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,2,0,0,0,0|2,0,0]=4 4403 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [0,2,0,0,0,0|2,0,0]=4 4404 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|1,0,1]=4 4405 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|1,0,1]=4 4406 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,2,0,0,0,0|1,0,0]=3 4407 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,2,0,0,0,0|1,0,0]=3 4408 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,2,0,0,0,0|1,0,0]=3 4409 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,2,0,0,0,0|1,0,0]=3 4410 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,2,0,0,0,0|1,0,0]=3 4411 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,2,0,0,0,0|1,0,0]=3 4412 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,2,0,0,0,0|2,0,0]=4 4413 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,2,0,0,0,0|2,0,0]=4 4414 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,2,0,0,0,0|2,0,0]=4 4415 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,2,0,0,0,0|2,0,0]=4 4416 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,2,0,0,0,0|2,0,0]=4 4417 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,2,0,0,0,0|2,0,0]=4 4418 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,2,0,0,0,0|2,0,0]=4 4419 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,2,0,0,0,0|2,0,0]=4 4420 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,2,0,0,0,0|2,0,0]=4 4421 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,2,0,0,0,0|2,0,0]=4 4422 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,2,0,0,0,0|2,0,0]=4 4423 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,2,0,0,0,0|2,0,0]=4 4424 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,2,0,0,0,0|2,0,0]=4 4425 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,2,0,0,0,0|2,0,0]=4 4426 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,2,0,0,0,0|2,0,0]=4 4427 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,2,0,0,0,0|2,0,0]=4 4428 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,2,0,0,0,0|2,0,0]=4 4429 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,2,0,0,0,0|2,0,0]=4 4430 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,2,0,0,0,0|2,0,0]=4 4431 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,2,0,0,0,0|2,0,0]=4 4432 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,2,0,0,0,0|1,0,0]=3 4433 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,2,0,0,0,0|1,0,0]=3 4434 B8R0.11 C#CC(CC)OCCF 34a_100000758843_100011217306 [0,2,0,0,0,0|2,0,0]=4 4435 B8R0.11 C#CC(CC)OCCF 7a_100000758843_100011217306 [0,2,0,0,0,0|2,0,0]=4 4436 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,2,0,0,0,0|2,0,0]=4 4437 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,2,0,0,0,0|2,0,0]=4 4438 B8R0.11 C#CC(CC)OCSC 34a_100000758843_100011218213 [0,2,0,0,0,0|2,0,0]=4 4439 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,2,0,0,0,0|0,0,2]=4 4440 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,2,0,0,0,0|0,0,2]=4 4441 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,2,0,0,0,0|0,0,2]=4 4442 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,2,0,0,0,0|0,0,2]=4 4443 B8R0.11 C#CCN[C@@H](CC)CO 2230a_100000709445_100000038162 [0,2,0,0,0,0|0,0,2]=4 4444 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,2,0,0,0,0|1,0,0]=3 4445 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,2,0,0,0,0|1,0,0]=3 4446 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,2,0,0,0,0|2,0,0]=4 4447 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,2,0,0,0,0|2,0,0]=4 4448 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|2,0,0]=4 4449 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|2,0,0]=4 4450 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|2,0,0]=4 4451 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,2,0,0,0,0|0,0,2]=4 4452 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,2,0,0,0,0|0,0,2]=4 4453 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,2,0,0,0,0|0,0,2]=4 4454 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,2,0,0,0,0|0,0,2]=4 4455 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,2,0,0,0,0|0,0,2]=4 4456 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,2,0,0,0,0|0,0,2]=4 4457 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|0,0,2]=4 4458 B8R0.11 CCC(CC)COCF 7a_100000703878_100015361967 [0,2,0,0,0,0|2,0,0]=4 4459 B8R0.11 CCC(CC)CSCF 62a_100011215472_100015361967 [0,2,0,0,0,0|2,0,0]=4 4460 B8R0.11 CCC(CC)CSCF 62a_100015361967_100011215472 [0,2,0,0,0,0|2,0,0]=4 4461 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,2,0,0,0,0|2,0,0]=4 4462 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,2,0,0,0,0|2,0,0]=4 4463 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,2,0,0,0,0|2,0,0]=4 4464 B8R0.11 CCC(CC)NCOC 2230a_100000199018_100000766300 [0,2,0,0,0,0|2,0,0]=4 4465 B8R0.11 CCC(CC)NCSC 2230a_100000199018_100011218213 [0,2,0,0,0,0|2,0,0]=4 4466 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [0,2,0,0,0,0|2,0,0]=4 4467 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,2,0,0,0,0|2,0,0]=4 4468 B8R0.11 CCC(CC)SCCF 62a_100000210505_100011217306 [0,2,0,0,0,0|2,0,0]=4 4469 B8R0.11 CCC(CC)SCCF 62a_100011217306_100000210505 [0,2,0,0,0,0|2,0,0]=4 4470 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,2,0,0,0,0|2,0,0]=4 4471 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,2,0,0,0,0|2,0,0]=4 4472 B8R0.11 CCC(CC)SCOC 62a_100000210505_100000766300 [0,2,0,0,0,0|2,0,0]=4 4473 B8R0.11 CCC(CC)SCOC 62a_100000766300_100000210505 [0,2,0,0,0,0|2,0,0]=4 4474 B8R0.11 CCC(CC)SCSC 62a_100000210505_100011218213 [0,2,0,0,0,0|2,0,0]=4 4475 B8R0.11 CCC(CC)SCSC 62a_100011218213_100000210505 [0,2,0,0,0,0|2,0,0]=4 4476 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [0,2,0,0,0,0|1,0,0]=3 4477 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [0,2,0,0,0,0|1,0,0]=3 4478 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,2,0,0,0,0|1,0,0]=3 4479 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,2,0,0,0,0|1,0,0]=3 4480 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,2,0,0,0,0|1,0,0]=3 4481 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,2,0,0,0,0|0,0,0]=2 4482 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,2,0,0,0,0|0,0,0]=2 4483 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,2,0,0,0,0|0,0,0]=2 4484 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,2,0,0,0,0|0,0,0]=2 4485 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,2,0,0,0,0|0,0,0]=2 4486 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|0,1,0]=3 4487 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|0,1,0]=3 4488 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|0,1,0]=3 4489 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|0,1,0]=3 4490 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,2,0,0,0,0|2,0,0]=4 4491 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,2,0,0,0,0|2,0,0]=4 4492 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,2,0,0,0,0|2,0,0]=4 4493 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,2,0,0,0,0|2,0,0]=4 4494 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,2,0,0,0,0|2,0,0]=4 4495 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,2,0,0,0,0|2,0,0]=4 4496 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,2,0,0,0,0|1,0,0]=3 4497 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,2,0,0,0,0|1,0,0]=3 4498 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,2,0,0,0,0|1,0,0]=3 4499 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,2,0,0,0,0|1,0,0]=3 4500 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,2,0,0,0,0|1,0,0]=3 4501 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,2,0,0,0,0|1,0,0]=3 4502 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,2,0,0,0,0|1,0,0]=3 4503 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,2,0,0,0,0|0,0,0]=2 4504 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,2,0,0,0,0|1,0,0]=3 4505 B8R0.11 CCCOC(CCl)CCl 7a_100000737055_100000210303 [0,2,0,0,0,0|2,0,0]=4 4506 B8R0.11 CCCOC(CF)CF 34a_100000032261_100000210303 [0,2,0,0,0,0|2,0,0]=4 4507 B8R0.11 CCCOC(CF)CF 7a_100000032261_100000210303 [0,2,0,0,0,0|2,0,0]=4 4508 B8R0.11 CCCOC(CN)CN 34a_100000031598_100000210303 [0,2,0,0,0,0|2,0,0]=4 4509 B8R0.11 CCCO[C@@H](CF)CCl 34a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 4510 B8R0.11 CCCO[C@@H](CF)CCl 7a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 4511 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,2,0,0,0,0|1,0,0]=3 4512 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,2,0,0,0,0|1,0,0]=3 4513 B8R0.11 CCN(CC)CCCF 2230a_100000724800_100011934791 [0,2,0,0,0,0|2,0,0]=4 4514 B8R0.11 CCN(CC)CCCF 269956a_100000042499_100011934791 [0,2,0,0,0,0|2,0,0]=4 4515 B8R0.11 CCN(CC)CCCF 269982a_100000724800_100011934791 [0,2,0,0,0,0|2,0,0]=4 4516 B8R0.11 CCN(CC)CCCO 2230a_100000724800_100000230001 [0,2,0,0,0,0|2,0,0]=4 4517 B8R0.11 CCN(CC)CCCO 269956a_100000042499_100011215043 [0,2,0,0,0,0|2,0,0]=4 4518 B8R0.11 CCN(CC)CCCO 269982a_100000724800_100011215043 [0,2,0,0,0,0|2,0,0]=4 4519 B8R0.11 CCN(CC)CCNC 2230a_100015382049_200000210301 [0,2,0,0,0,0|2,0,0]=4 4520 B8R0.11 CCN(CC)CCNC 2230a_106832991635_100000700428 [0,2,0,0,0,0|2,0,0]=4 4521 B8R0.11 CCN(CC)CCNC 7a_106832991635_100000700428 [0,2,0,0,0,0|2,0,0]=4 4522 B8R0.11 CCN(CC)CCN[13CH3] 2230a_100015382049_200025704644 [0,2,0,0,0,0|2,0,0]=4 4523 B8R0.11 CCN(CC)CCOC 2230a_100000724800_100011201679 [0,2,0,0,0,0|2,0,0]=4 4524 B8R0.11 CCN(CC)CCOC 2230a_100000731262_100000210202 [0,2,0,0,0,0|2,0,0]=4 4525 B8R0.11 CCN(CC)CCOC 269956a_100000042499_100000233755 [0,2,0,0,0,0|2,0,0]=4 4526 B8R0.11 CCN(CC)CCOC 269982a_100000724800_100000233755 [0,2,0,0,0,0|2,0,0]=4 4527 B8R0.11 CCN(CC)CCOC 269982a_100000731262_100000204670 [0,2,0,0,0,0|2,0,0]=4 4528 B8R0.11 CCN(CC)CCOC 7a_100016990331_200000210301 [0,2,0,0,0,0|2,0,0]=4 4529 B8R0.11 CCN(CC)CCO[13CH3] 7a_100016990331_200025704644 [0,2,0,0,0,0|2,0,0]=4 4530 B8R0.11 CCN(CC)CCSC 2230a_100000724800_100000751147 [0,2,0,0,0,0|2,0,0]=4 4531 B8R0.11 CCN(CC)CCSC 269956a_100000042499_100000212216 [0,2,0,0,0,0|2,0,0]=4 4532 B8R0.11 CCN(CC)CCSC 269982a_100000724800_100000212216 [0,2,0,0,0,0|2,0,0]=4 4533 B8R0.11 CCN(CC)CCSC 62a_200000210301_100000700428 [0,2,0,0,0,0|2,0,0]=4 4534 B8R0.11 CCN(CC)CCS[13CH3] 62a_200025704644_100000700428 [0,2,0,0,0,0|2,0,0]=4 4535 B8R0.11 CCN(CF)CCOC 269982a_100000731262_100015361967 [0,2,0,0,0,0|2,0,0]=4 4536 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,2,0,0,0,0|1,0,0]=3 4537 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,2,0,0,0,0|1,0,0]=3 4538 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,2,0,0,0,0|1,0,0]=3 4539 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,2,0,0,0,0|1,0,0]=3 4540 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [0,2,0,0,0,0|1,0,0]=3 4541 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [0,2,0,0,0,0|1,0,0]=3 4542 B8R0.11 CCNN=C(CC)CO 4a_100000756455_100000725409 [0,2,0,0,0,0|1,0,1]=4 4543 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,2,0,0,0,0|1,0,0]=3 4544 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,2,0,0,0,0|1,0,0]=3 4545 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,2,0,0,0,0|0,0,0]=2 4546 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,2,0,0,0,0|0,0,0]=2 4547 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [0,2,0,0,0,0|1,0,0]=3 4548 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [0,2,0,0,0,0|1,0,0]=3 4549 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [0,2,0,0,0,0|1,0,0]=3 4550 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [0,2,0,0,0,0|1,0,0]=3 4551 B8R0.11 CCOCN(CC)CC 269956a_100000042499_100000739092 [0,2,0,0,0,0|2,0,0]=4 4552 B8R0.11 CCOCN(CC)CC 269982a_100000724800_100000739092 [0,2,0,0,0,0|2,0,0]=4 4553 B8R0.11 CCOCN(CC)CC 7a_200015374951_100000210202 [0,2,0,0,0,0|2,0,0]=4 4554 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,2,0,0,0,0|1,0,0]=3 4555 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,2,0,0,0,0|1,0,0]=3 4556 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [0,2,0,0,0,0|1,0,0]=3 4557 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [0,2,0,0,0,0|1,0,0]=3 4558 B8R0.11 CC[C@@H](CO)NCC#N 2230a_100000709445_100011215382 [0,2,0,0,0,0|1,0,1]=4 4559 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|1,0,1]=4 4560 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,2,0,0,0,0|1,0,0]=3 4561 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,2,0,0,0,0|1,0,0]=3 4562 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,2,0,0,0,0|1,0,0]=3 4563 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,2,0,0,0,0|1,0,0]=3 4564 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [0,2,0,0,0,0|1,0,0]=3 4565 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [0,2,0,0,0,0|1,0,0]=3 4566 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [0,2,0,0,0,0|1,0,0]=3 4567 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,2,0,0,0,0|1,0,0]=3 4568 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,2,0,0,0,0|1,0,0]=3 4569 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,2,0,0,0,0|1,0,0]=3 4570 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,2,0,0,0,0|1,0,0]=3 4571 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,2,0,0,0,0|1,0,0]=3 4572 B8R0.11 COC(COCF)OC 34a_100011216393_100015361967 [0,2,0,0,0,0|2,0,0]=4 4573 B8R0.11 COC(CSCF)OC 62a_100000751394_100015361967 [0,2,0,0,0,0|2,0,0]=4 4574 B8R0.11 COC(CSCF)OC 62a_100015361967_100000751394 [0,2,0,0,0,0|2,0,0]=4 4575 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [0,2,0,0,0,0|1,0,0]=3 4576 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [0,2,0,0,0,0|2,0,0]=4 4577 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,2,0,0,0,0|1,0,0]=3 4578 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,2,0,0,0,0|2,0,0]=4 4579 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,2,0,0,0,0|2,0,0]=4 4580 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,2,0,0,0,0|2,0,0]=4 4581 B8R0.25 CC(C)(CCCBr)O[13CH3] 7a_100009888830_200025704644 [0,2,0,0,0,0|2,0,0]=4 4582 B8R0.25 CCC(C)(C)COCF 7a_100000765029_100015361967 [0,2,0,0,0,0|2,0,0]=4 4583 B8R0.25 CCC(C)(C)NCCF 2230a_100000211385_100011217306 [0,2,0,0,0,0|2,0,0]=4 4584 B8R0.25 CCC(C)(C)NCCO 2230a_100000211385_100000211926 [0,2,0,0,0,0|2,0,0]=4 4585 B8R0.25 CCC(C)(C)NCOC 2230a_100000211385_100000766300 [0,2,0,0,0,0|2,0,0]=4 4586 B8R0.25 CCC(C)(C)NCSC 2230a_100000211385_100011218213 [0,2,0,0,0,0|2,0,0]=4 4587 B8R0.25 CCC(C)(C)OCCF 7a_100000210230_100011217306 [0,2,0,0,0,0|2,0,0]=4 4588 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,2,0,0,0,0|2,0,0]=4 4589 B8R0.25 CCC(C)(C)SCCF 62a_100000032637_100011217306 [0,2,0,0,0,0|2,0,0]=4 4590 B8R0.25 CCC(C)(C)SCCF 62a_100011217306_100000032637 [0,2,0,0,0,0|2,0,0]=4 4591 B8R0.25 CCC(C)(C)SCCO 62a_100000032637_100000211926 [0,2,0,0,0,0|2,0,0]=4 4592 B8R0.25 CCC(C)(C)SCCO 62a_100000211926_100000032637 [0,2,0,0,0,0|2,0,0]=4 4593 B8R0.25 CCC(C)(C)SCOC 62a_100000032637_100000766300 [0,2,0,0,0,0|2,0,0]=4 4594 B8R0.25 CCC(C)(C)SCOC 62a_100000766300_100000032637 [0,2,0,0,0,0|2,0,0]=4 4595 B8R0.25 CCC(C)(C)SCSC 62a_100000032637_100011218213 [0,2,0,0,0,0|2,0,0]=4 4596 B8R0.25 CCC(C)(C)SCSC 62a_100011218213_100000032637 [0,2,0,0,0,0|2,0,0]=4 4597 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,2,0,0,0,0|2,0,0]=4 4598 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,2,0,0,0,0|2,0,0]=4 4599 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,2,0,0,0,0|1,0,0]=3 4600 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,2,0,0,0,0|2,0,0]=4 4601 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,2,0,0,0,0|1,0,1]=4 4602 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,2,0,0,0,0|1,0,1]=4 4603 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,2,0,0,0,0|1,0,1]=4 4604 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,2,0,0,0,0|1,0,0]=3 4605 B8R0.25 CCCOC(C)(C)CCl 7a_100000764493_100000210303 [0,2,0,0,0,0|2,0,0]=4 4606 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,2,0,0,0,0|1,0,0]=3 4607 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,2,0,0,0,0|1,0,0]=3 4608 B8R0.25 CCCSC(F)(F)CO 62a_100000210303_100011217949 [0,2,0,0,0,0|2,0,0]=4 4609 B8R0.25 CCCSC(F)(F)CO 62a_100011217949_100000210303 [0,2,0,0,0,0|2,0,0]=4 4610 B8R0.25 CCNCC(C)(C)CO 2230a_100020635058_100000210202 [0,2,0,0,0,0|2,0,0]=4 4611 B8R0.25 CCNCC(C)(C)OC 2230a_100000763424_100000210202 [0,2,0,0,0,0|2,0,0]=4 4612 B8R0.25 CCNCC(C)(C)SC 270004a_100015525214_100009845794 [0,2,0,0,0,0|2,0,0]=4 4613 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [0,2,0,0,0,0|1,0,0]=3 4614 B8R0.25 CCOCC(C)(C)CCl 7a_100011217199_100000210202 [0,2,0,0,0,0|2,0,0]=4 4615 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [0,2,0,0,0,0|2,0,0]=4 4616 B8R0.25 CCOCC(C)(C)OC 34a_100121572206_100000701081 [0,2,0,0,0,0|2,0,0]=4 4617 B8R0.25 CCOCC(F)(F)CN 34a_100000703232_100000210202 [0,2,0,0,0,0|2,0,0]=4 4618 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,2,0,0,0,0|1,0,1]=4 4619 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,2,0,0,0,0|1,0,1]=4 4620 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,2,0,0,0,0|1,0,1]=4 4621 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,2,0,0,0,0|1,0,1]=4 4622 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,2,0,0,0,0|1,0,1]=4 4623 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,2,0,0,0,0|1,0,1]=4 4624 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,2,0,0,0,0|1,0,1]=4 4625 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,2,0,0,0,0|1,0,1]=4 4626 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,2,0,0,0,0|1,0,1]=4 4627 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,2,0,0,0,0|1,0,1]=4 4628 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,2,0,0,0,0|1,0,1]=4 4629 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,2,0,0,0,0|1,0,1]=4 4630 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,2,0,0,0,0|1,0,1]=4 4631 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,2,0,0,0,0|1,0,1]=4 4632 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,2,0,0,0,0|1,0,1]=4 4633 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,2,0,0,0,0|1,0,1]=4 4634 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,2,0,0,0,0|2,0,0]=4 4635 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,2,0,0,0,0|2,0,0]=4 4636 B8R0.25 CCSCC(C)(C)OC 62a_100000210202_100000701081 [0,2,0,0,0,0|2,0,0]=4 4637 B8R0.25 CCSCC(C)(C)OC 62a_100000701081_100000210202 [0,2,0,0,0,0|2,0,0]=4 4638 B8R0.25 COC(C)(C)CCCBr 7a_100009888830_200000210301 [0,2,0,0,0,0|2,0,0]=4 4639 B8R0.25 COC(C)(C)CCO[13CH3] 7a_100000699976_200025704644 [0,2,0,0,0,0|2,0,0]=4 4640 B8R0.25 COCCC(C)(C)OC 7a_100000699976_200000210301 [0,2,0,0,0,0|2,0,0]=4 4641 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|1,0,1]=4 4642 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|1,0,1]=4 4643 B8R0.12 CCNC(C)(C)C(C)C 2230a_200160471154_100000210202 [0,2,0,0,0,0|2,0,0]=4 4644 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,2,0,0,0,0|2,0,0]=4 4645 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,2,0,0,0,0|0,0,2]=4 4646 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,2,0,0,0,0|0,0,2]=4 4647 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|0,0,2]=4 4648 B8R0.14 CCCN(C)C(C)(C)C 2230a_100000743177_200000210301 [0,2,0,0,0,0|2,0,0]=4 4649 B8R0.14 CCCN(C)C(C)(C)C 269982a_100000743177_200000210301 [0,2,0,0,0,0|2,0,0]=4 4650 B8R0.14 CCCN(C)C(C)(C)C 269982a_100000747261_100000210625 [0,2,0,0,0,0|2,0,0]=4 4651 B8R0.14 CCCN(C)C(C)(C)C 269982a_100011215553_100000210303 [0,2,0,0,0,0|2,0,0]=4 4652 B8R0.14 CCCN([13CH3])C(C)(C)C 2230a_100000743177_200025704644 [0,2,0,0,0,0|2,0,0]=4 4653 B8R0.14 CCCN([13CH3])C(C)(C)C 269982a_100000743177_200025704644 [0,2,0,0,0,0|2,0,0]=4 4654 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,2,0,0,0,0|2,0,0]=4 4655 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,2,0,0,0,0|2,0,0]=4 4656 B8R0.14 CCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210202 [0,2,0,0,0,0|2,0,0]=4 4657 B8R0.14 CNCC(O)C(F)(F)F 2230a_100000743304_200000210301 [0,2,0,0,0,0|2,0,0]=4 4658 B8R0.14 CNCC(O)C(F)(F)F 34a_100000743304_200000210301 [0,2,0,0,0,0|2,0,0]=4 4659 B8R0.14 CNCC(O)C(F)(F)F 34a_100102657272_100000185343 [0,2,0,0,0,0|2,0,0]=4 4660 B8R0.14 CNCC(O)C(F)(F)F 7a_106832991635_100000185343 [0,2,0,0,0,0|2,0,0]=4 4661 B8R0.14 COCC(O)C(F)(F)F 34a_100138415774_100000185343 [0,2,0,0,0,0|2,0,0]=4 4662 B8R0.14 CSCC(O)C(F)(F)F 62a_100000185343_200000210301 [0,2,0,0,0,0|2,0,0]=4 4663 B8R0.14 CSCC(O)C(F)(F)F 62a_200000210301_100000185343 [0,2,0,0,0,0|2,0,0]=4 4664 B8R0.14 [13CH3]NCC(O)C(F)(F)F 2230a_100000743304_200025704644 [0,2,0,0,0,0|2,0,0]=4 4665 B8R0.14 [13CH3]NCC(O)C(F)(F)F 34a_100000743304_200025704644 [0,2,0,0,0,0|2,0,0]=4 4666 B8R0.14 [13CH3]SCC(O)C(F)(F)F 62a_100000185343_200025704644 [0,2,0,0,0,0|2,0,0]=4 4667 B8R0.14 [13CH3]SCC(O)C(F)(F)F 62a_200025704644_100000185343 [0,2,0,0,0,0|2,0,0]=4 4668 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,2,0,0,0,0|2,0,0]=4 4669 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,2,0,0,0,0|2,0,0]=4 4670 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|2,0,0]=4 4671 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|2,0,0]=4 4672 B8R0.15 C=CCC(OC)C(C)C 34a_200011216146_200000210301 [0,2,0,0,0,0|0,0,2]=4 4673 B8R0.15 C=CCC(OC)C(C)C 7a_200011216146_200000210301 [0,2,0,0,0,0|0,0,2]=4 4674 B8R0.15 C=CCC(O[13CH3])C(C)C 34a_200011216146_200025704644 [0,2,0,0,0,0|0,0,2]=4 4675 B8R0.15 C=CCC(O[13CH3])C(C)C 7a_200011216146_200025704644 [0,2,0,0,0,0|0,0,2]=4 4676 B8R0.15 CC(C)C(CCO)N[13CH3] 2230a_100161115045_200025704644 [0,2,0,0,0,0|2,0,0]=4 4677 B8R0.15 CC(C)C(CCO)N[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|2,0,0]=4 4678 B8R0.15 CC(C)C(CN)CO[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|2,0,0]=4 4679 B8R0.15 CC(C)C(CO)CN[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|1,0,0]=3 4680 B8R0.15 CC(C)[C@H](CO)NCF 34a_100011830312_100015361967 [0,2,0,0,0,0|2,0,0]=4 4681 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [0,2,0,0,0,0|2,0,0]=4 4682 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4683 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4684 B8R0.15 CCC(COC)N(C)C 270004a_100102631434_100000757811 [0,2,0,0,0,0|2,0,0]=4 4685 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4686 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4687 B8R0.15 CCCC(C#N)N(C)C 2230a_100000727963_200000210301 [0,2,0,0,0,0|2,0,0]=4 4688 B8R0.15 CCCC(C#N)N(C)[13CH3] 2230a_100000727963_200025704644 [0,2,0,0,0,0|2,0,0]=4 4689 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|0,0,1]=3 4690 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|0,0,1]=3 4691 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|0,0,1]=3 4692 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,2,0,0,0,0|1,0,0]=3 4693 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,2,0,0,0,0|1,0,0]=3 4694 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,0,1]=4 4695 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,0,1]=4 4696 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,2,0,0,0,0|0,0,0]=2 4697 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,2,0,0,0,0|0,0,0]=2 4698 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,0,1]=4 4699 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,0,1]=4 4700 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,2,0,0,0,0|0,0,0]=2 4701 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,2,0,0,0,0|0,0,0]=2 4702 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|1,0,1]=4 4703 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|1,0,1]=4 4704 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|1,0,1]=4 4705 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|1,0,1]=4 4706 B8R0.15 CCCN(CC)C(C)C 2230a_100000223864_100000210303 [0,2,0,0,0,0|2,0,0]=4 4707 B8R0.15 CCCN(CC)C(C)C 2230a_100000226822_100000210206 [0,2,0,0,0,0|2,0,0]=4 4708 B8R0.15 CCCN(CC)C(C)C 2230a_106256033942_100000210202 [0,2,0,0,0,0|2,0,0]=4 4709 B8R0.15 CCCN(CC)C(C)C 269982a_100000223864_100000210303 [0,2,0,0,0,0|2,0,0]=4 4710 B8R0.15 CCCN(CC)C(C)C 269982a_100000226822_100000210206 [0,2,0,0,0,0|2,0,0]=4 4711 B8R0.15 CCCN(CC)C(C)C 269982a_106256033942_100000204670 [0,2,0,0,0,0|2,0,0]=4 4712 B8R0.15 CCCN(CF)C(C)C 269982a_106256033942_100015361967 [0,2,0,0,0,0|2,0,0]=4 4713 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4714 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4715 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|1,0,0]=3 4716 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4717 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4718 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|1,0,0]=3 4719 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 4720 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|1,0,1]=4 4721 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|1,0,1]=4 4722 B8R0.15 CCNC(CC)C(C)C 270004a_100015525214_100000210600 [0,2,0,0,0,0|2,0,0]=4 4723 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|2,0,0]=4 4724 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,2,0,0,0,0|1,0,0]=3 4725 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,2,0,0,0,0|1,0,0]=3 4726 B8R0.15 CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210202 [0,2,0,0,0,0|1,0,0]=3 4727 B8R0.15 CCN[C@@H](CO)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|1,0,0]=3 4728 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|1,0,0]=3 4729 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,2,0,0,0,0|1,0,0]=3 4730 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,2,0,0,0,0|1,0,0]=3 4731 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,2,0,0,0,0|2,0,0]=4 4732 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,2,0,0,0,0|2,0,0]=4 4733 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|1,0,1]=4 4734 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,2,0,0,0,0|2,0,0]=4 4735 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,2,0,0,0,0|2,0,0]=4 4736 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|2,0,0]=4 4737 B8R0.15 CCOC(OC)C(F)F 34a_100000038436_200000210301 [0,2,0,0,0,0|2,0,0]=4 4738 B8R0.15 CCOC(OC)C(F)F 7a_100000038436_200000210301 [0,2,0,0,0,0|2,0,0]=4 4739 B8R0.15 CCOC(O[13CH3])C(F)F 34a_100000038436_200025704644 [0,2,0,0,0,0|2,0,0]=4 4740 B8R0.15 CCOC(O[13CH3])C(F)F 7a_100000038436_200025704644 [0,2,0,0,0,0|2,0,0]=4 4741 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|1,0,1]=4 4742 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|1,0,1]=4 4743 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|2,0,0]=4 4744 B8R0.15 CC[C@H](NCF)[C@@H](C)O 34a_100161114882_100015361967 [0,2,0,0,0,0|2,0,0]=4 4745 B8R0.15 CNC(CCO)C(C)C 2230a_100161115045_200000210301 [0,2,0,0,0,0|2,0,0]=4 4746 B8R0.15 CNC(CCO)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|2,0,0]=4 4747 B8R0.15 CNC(COC)C(C)C 2230a_100000760233_200000210301 [0,2,0,0,0,0|2,0,0]=4 4748 B8R0.15 CNCC(CO)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|1,0,0]=3 4749 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|2,0,0]=4 4750 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|2,0,0]=4 4751 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|2,0,0]=4 4752 B8R0.15 COCC(CN)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|2,0,0]=4 4753 B8R0.15 COCC(N[13CH3])C(C)C 2230a_100000760233_200025704644 [0,2,0,0,0,0|2,0,0]=4 4754 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|2,0,0]=4 4755 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|2,0,0]=4 4756 B8R0.15 C[C@@H](O)[C@@H](CO)NCF 34a_100015196842_100015361967 [0,2,0,0,0,0|2,0,0]=4 4757 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|2,0,0]=4 4758 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,2,0,0,0,0|1,0,0]=3 4759 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,2,0,0,0,0|1,0,0]=3 4760 B8R0.22 C#CC(CCC)OCF 34a_200011217317_100015361967 [0,2,0,0,0,0|0,0,2]=4 4761 B8R0.22 C#CC(CCC)OCF 7a_200011217317_100015361967 [0,2,0,0,0,0|0,0,2]=4 4762 B8R0.22 C#CCC(CC)OCC 34a_200011217983_100000210202 [0,2,0,0,0,0|0,0,2]=4 4763 B8R0.22 C#CCC(CC)OCC 7a_200011217983_100000210202 [0,2,0,0,0,0|0,0,2]=4 4764 B8R0.22 C#CCC(CC)OCF 34a_200011217983_100015361967 [0,2,0,0,0,0|0,0,2]=4 4765 B8R0.22 C#CCC(CC)OCF 7a_200011217983_100015361967 [0,2,0,0,0,0|0,0,2]=4 4766 B8R0.22 C#CCN(CC)CCC 2230a_100000226822_100000038162 [0,2,0,0,0,0|2,0,0]=4 4767 B8R0.22 C#CCN(CC)CCC 2230a_100000744766_100000210303 [0,2,0,0,0,0|2,0,0]=4 4768 B8R0.22 C#CCN(CC)CCC 269982a_100000744766_100000210303 [0,2,0,0,0,0|2,0,0]=4 4769 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,2,0,0,0,0|0,0,1]=3 4770 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,2,0,0,0,0|0,0,1]=3 4771 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,2,0,0,0,0|0,0,1]=3 4772 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,2,0,0,0,0|0,0,1]=3 4773 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,2,0,0,0,0|1,0,0]=3 4774 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,2,0,0,0,0|1,0,0]=3 4775 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [0,2,0,0,0,0|0,0,2]=4 4776 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [0,2,0,0,0,0|0,0,2]=4 4777 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,2,0,0,0,0|0,0,1]=3 4778 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,2,0,0,0,0|0,0,1]=3 4779 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,2,0,0,0,0|0,0,1]=3 4780 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,2,0,0,0,0|0,0,1]=3 4781 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,2,0,0,0,0|2,0,0]=4 4782 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,2,0,0,0,0|2,0,0]=4 4783 B8R0.22 C=CC[C@H](CO)NCC 2230a_100020615467_100000210202 [0,2,0,0,0,0|0,0,2]=4 4784 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [0,2,0,0,0,0|0,0,2]=4 4785 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [0,2,0,0,0,0|0,0,2]=4 4786 B8R0.22 CC#CC(CC)OCF 34a_200011219922_100015361967 [0,2,0,0,0,0|0,0,2]=4 4787 B8R0.22 CC#CC(CC)OCF 7a_200011219922_100015361967 [0,2,0,0,0,0|0,0,2]=4 4788 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,2,0,0,0,0|1,0,0]=3 4789 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,2,0,0,0,0|1,0,0]=3 4790 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,2,0,0,0,0|1,0,0]=3 4791 B8R0.22 CCCC(C#N)OCF 34a_100000686963_100015361967 [0,2,0,0,0,0|1,0,1]=4 4792 B8R0.22 CCCC(C#N)OCF 7a_100000686963_100015361967 [0,2,0,0,0,0|1,0,1]=4 4793 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,2,0,0,0,0|1,0,0]=3 4794 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,2,0,0,0,0|1,0,0]=3 4795 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,2,0,0,0,0|0,0,0]=2 4796 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,2,0,0,0,0|0,0,0]=2 4797 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,2,0,0,0,0|0,0,0]=2 4798 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,2,0,0,0,0|0,0,0]=2 4799 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,2,0,0,0,0|0,1,0]=3 4800 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,2,0,0,0,0|0,1,0]=3 4801 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,2,0,0,0,0|0,1,0]=3 4802 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,2,0,0,0,0|0,1,0]=3 4803 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,2,0,0,0,0|1,0,0]=3 4804 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,2,0,0,0,0|1,0,0]=3 4805 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,2,0,0,0,0|1,0,0]=3 4806 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,2,0,0,0,0|1,0,0]=3 4807 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,2,0,0,0,0|1,0,0]=3 4808 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4809 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4810 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,2,0,0,0,0|0,0,0]=2 4811 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,2,0,0,0,0|0,0,0]=2 4812 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,2,0,0,0,0|0,0,0]=2 4813 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,2,0,0,0,0|0,0,0]=2 4814 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,2,0,0,0,0|0,0,0]=2 4815 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,2,0,0,0,0|0,1,0]=3 4816 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,2,0,0,0,0|0,1,0]=3 4817 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,2,0,0,0,0|0,1,0]=3 4818 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,2,0,0,0,0|0,1,0]=3 4819 B8R0.22 CCCN(CC)CC#N 2230a_100000226822_100011215382 [0,2,0,0,0,0|2,0,0]=4 4820 B8R0.22 CCCN(CC)CC#N 269982a_100000226822_100011214920 [0,2,0,0,0,0|2,0,0]=4 4821 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|1,0,1]=4 4822 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|1,0,1]=4 4823 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,2,0,0,0,0|2,0,0]=4 4824 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 4825 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,2,0,0,0,0|2,0,0]=4 4826 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 4827 B8R0.22 CCCN(CC)CCF 2230a_100000226822_100011217306 [0,2,0,0,0,0|2,0,0]=4 4828 B8R0.22 CCCN(CC)CCF 269982a_100000226822_100011217306 [0,2,0,0,0,0|2,0,0]=4 4829 B8R0.22 CCCN(CC)CCO 2230a_100000210973_100000210303 [0,2,0,0,0,0|1,0,0]=3 4830 B8R0.22 CCCN(CC)CCO 2230a_100000211420_100000210202 [0,2,0,0,0,0|1,0,0]=3 4831 B8R0.22 CCCN(CC)CCO 2230a_100000226822_100000211926 [0,2,0,0,0,0|1,0,0]=3 4832 B8R0.22 CCCN(CC)CCO 269982a_100000210973_100000210303 [0,2,0,0,0,0|1,0,0]=3 4833 B8R0.22 CCCN(CC)CCO 269982a_100000211420_100000204670 [0,2,0,0,0,0|1,0,0]=3 4834 B8R0.22 CCCN(CC)CCO 269982a_100000226822_100000211926 [0,2,0,0,0,0|1,0,0]=3 4835 B8R0.22 CCCN(CC)COC 2230a_100000226822_100000766300 [0,2,0,0,0,0|1,0,0]=3 4836 B8R0.22 CCCN(CC)COC 269982a_100000226822_100000766300 [0,2,0,0,0,0|1,0,0]=3 4837 B8R0.22 CCCN(CC)CSC 2230a_100000226822_100011218213 [0,2,0,0,0,0|1,1,0]=4 4838 B8R0.22 CCCN(CC)CSC 269982a_100000226822_100011218213 [0,2,0,0,0,0|1,1,0]=4 4839 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,2,0,0,0,0|2,0,0]=4 4840 B8R0.22 CCCN(CF)CCO 269982a_100000211420_100015361967 [0,2,0,0,0,0|2,0,0]=4 4841 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,2,0,0,0,0|1,0,0]=3 4842 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,2,0,0,0,0|1,0,0]=3 4843 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,2,0,0,0,0|1,0,0]=3 4844 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|1,0,0]=3 4845 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,2,0,0,0,0|0,0,0]=2 4846 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,2,0,0,0,0|0,0,0]=2 4847 B8R0.22 CCC[C@@H](CO)NCF 34a_100000732646_100015361967 [0,2,0,0,0,0|1,0,0]=3 4848 B8R0.22 CCN(CCO)CCF 2230a_100000210973_100011217306 [0,2,0,0,0,0|2,0,0]=4 4849 B8R0.22 CCN(CCO)CCF 269982a_100000210973_100011217306 [0,2,0,0,0,0|2,0,0]=4 4850 B8R0.22 CCN(CCO)CCO 2230a_100000210587_100000210202 [0,2,0,0,0,0|2,0,0]=4 4851 B8R0.22 CCN(CCO)CCO 2230a_100000210973_100000211926 [0,2,0,0,0,0|2,0,0]=4 4852 B8R0.22 CCN(CCO)CCO 269982a_100000210587_100000204670 [0,2,0,0,0,0|2,0,0]=4 4853 B8R0.22 CCN(CCO)CCO 269982a_100000210973_100000211926 [0,2,0,0,0,0|2,0,0]=4 4854 B8R0.22 CCN(CCO)COC 2230a_100000210973_100000766300 [0,2,0,0,0,0|2,0,0]=4 4855 B8R0.22 CCN(CCO)COC 269982a_100000210973_100000766300 [0,2,0,0,0,0|2,0,0]=4 4856 B8R0.22 CCN(CCO)CSC 2230a_100000210973_100011218213 [0,2,0,0,0,0|2,0,0]=4 4857 B8R0.22 CCN(CCO)CSC 269982a_100000210973_100011218213 [0,2,0,0,0,0|2,0,0]=4 4858 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,2,0,0,0,0|1,0,0]=3 4859 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,2,0,0,0,0|1,0,0]=3 4860 B8R0.22 CCNC(CO)COC 2230a_100000724102_100000210202 [0,2,0,0,0,0|1,0,0]=3 4861 B8R0.22 CCNC(CO)COC 34a_100000724102_100000210202 [0,2,0,0,0,0|1,0,0]=3 4862 B8R0.22 CCN[C@H](CC)CC#N 2230a_200009818565_100000210202 [0,2,0,0,0,0|2,0,0]=4 4863 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,2,0,0,0,0|1,0,0]=3 4864 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,2,0,0,0,0|1,0,0]=3 4865 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,2,0,0,0,0|1,0,0]=3 4866 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,2,0,0,0,0|1,0,0]=3 4867 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,2,0,0,0,0|1,0,0]=3 4868 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,2,0,0,0,0|2,0,0]=4 4869 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,2,0,0,0,0|2,0,0]=4 4870 B8R0.22 CNC(COC)COC 2230a_100011997029_200000210301 [0,2,0,0,0,0|2,0,0]=4 4871 B8R0.22 CNC(COC)COC 270004a_106832991635_100000761750 [0,2,0,0,0,0|2,0,0]=4 4872 B8R0.22 COC(CSC)CSC 7a_200000036665_200000210301 [0,2,0,0,0,0|1,0,0]=3 4873 B8R0.22 COCC(CCl)OCF 34a_100011215053_100015361967 [0,2,0,0,0,0|2,0,0]=4 4874 B8R0.22 COCC(CN)OCF 34a_100000756049_100015361967 [0,2,0,0,0,0|2,0,0]=4 4875 B8R0.22 COCC(CO)NCF 34a_100000724102_100015361967 [0,2,0,0,0,0|2,0,0]=4 4876 B8R0.22 COCC(COC)N[13CH3] 2230a_100011997029_200025704644 [0,2,0,0,0,0|2,0,0]=4 4877 B8R0.22 COCC(COC)OC 34a_100000766098_200000210301 [0,2,0,0,0,0|1,0,0]=3 4878 B8R0.22 COCC(COC)O[13CH3] 34a_100000766098_200025704644 [0,2,0,0,0,0|1,0,0]=3 4879 B8R0.22 CSCC(CSC)O[13CH3] 7a_200000036665_200025704644 [0,2,0,0,0,0|1,0,0]=3 4880 B8R0.30 CCCC(C)(C)COC 7a_100011995695_200000210301 [0,2,0,0,0,0|1,0,0]=3 4881 B8R0.30 CCCC(C)(C)CO[13CH3] 7a_100011995695_200025704644 [0,2,0,0,0,0|1,0,0]=3 4882 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,2,0,0,0,0|1,0,0]=3 4883 B8R0.30 CCCC(C)(C)OCF 7a_100000748436_100015361967 [0,2,0,0,0,0|2,0,0]=4 4884 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,2,0,0,0,0|1,0,1]=4 4885 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,2,0,0,0,0|1,0,1]=4 4886 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,2,0,0,0,0|1,0,1]=4 4887 B8R0.30 CCNC(C)(C)COC 2230a_100000752728_100000210202 [0,2,0,0,0,0|2,0,0]=4 4888 B8R0.30 CCNC(C)(C)COC 7a_100000747347_200000210301 [0,2,0,0,0,0|2,0,0]=4 4889 B8R0.30 CCNC(C)(C)CO[13CH3] 7a_100000747347_200025704644 [0,2,0,0,0,0|2,0,0]=4 4890 B8R0.30 CCNC(C)(C)CSC 2230a_100000759623_100000210202 [0,2,0,0,0,0|2,0,0]=4 4891 B8R0.30 CCNC(C)(C)CSC 7a_100000759623_100000210202 [0,2,0,0,0,0|2,0,0]=4 4892 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,2,0,0,0,0|2,0,0]=4 4893 B8R0.30 CNCC(C)(C)COC 2230a_100000734190_200000210301 [0,2,0,0,0,0|2,0,0]=4 4894 B8R0.30 COCC(C)(C)CN[13CH3] 2230a_100000734190_200025704644 [0,2,0,0,0,0|2,0,0]=4 4895 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|0,0,2]=4 4896 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|0,0,1]=3 4897 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|0,0,2]=4 4898 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|1,0,1]=4 4899 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|1,0,1]=4 4900 B8R0.13 CCN(C)C(C)(C)CC 2230a_200000755171_100000210202 [0,2,0,0,0,0|2,0,0]=4 4901 B8R0.13 CCN(C)C(C)(C)CC 269982a_100000225621_100000032637 [0,2,0,0,0,0|2,0,0]=4 4902 B8R0.13 CCN(C)C(C)(C)CC 269982a_200000755171_100000204670 [0,2,0,0,0,0|2,0,0]=4 4903 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|0,0,2]=4 4904 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|0,0,2]=4 4905 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|0,0,1]=3 4906 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|0,0,1]=3 4907 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|0,0,1]=3 4908 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|0,0,1]=3 4909 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|0,0,1]=3 4910 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|1,0,1]=4 4911 B8R0.20 CCC(C)N(CC)CC 2230a_100000724800_100000758301 [0,2,0,0,0,0|2,0,0]=4 4912 B8R0.20 CCC(C)N(CC)CC 2230a_100000732650_100000210202 [0,2,0,0,0,0|2,0,0]=4 4913 B8R0.20 CCC(C)N(CC)CC 269956a_100000042499_100000758301 [0,2,0,0,0,0|2,0,0]=4 4914 B8R0.20 CCC(C)N(CC)CC 269982a_100000724800_100000758301 [0,2,0,0,0,0|2,0,0]=4 4915 B8R0.20 CCC(C)N(CC)CC 269982a_100000732650_100000204670 [0,2,0,0,0,0|2,0,0]=4 4916 B8R0.20 CCC(C)N(CC)CF 269982a_100000732650_100015361967 [0,2,0,0,0,0|2,0,0]=4 4917 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [0,2,0,0,0,0|2,0,0]=4 4918 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [0,2,0,0,0,0|2,0,0]=4 4919 B8R0.20 CCC(CC)N(C)CC 2230a_100000732065_200000210301 [0,2,0,0,0,0|2,0,0]=4 4920 B8R0.20 CCC(CC)N(C)CC 2230a_100000737045_100000210202 [0,2,0,0,0,0|2,0,0]=4 4921 B8R0.20 CCC(CC)N(C)CC 269982a_100000225621_100000210505 [0,2,0,0,0,0|2,0,0]=4 4922 B8R0.20 CCC(CC)N(C)CC 269982a_100000732065_200000210301 [0,2,0,0,0,0|2,0,0]=4 4923 B8R0.20 CCC(CC)N(C)CC 269982a_100000737045_100000204670 [0,2,0,0,0,0|2,0,0]=4 4924 B8R0.20 CCC(CC)N([13CH3])CC 2230a_100000732065_200025704644 [0,2,0,0,0,0|2,0,0]=4 4925 B8R0.20 CCC(CC)N([13CH3])CC 269982a_100000732065_200025704644 [0,2,0,0,0,0|2,0,0]=4 4926 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|1,0,1]=4 4927 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|1,0,1]=4 4928 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|1,0,1]=4 4929 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|1,0,1]=4 4930 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|1,0,1]=4 4931 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|1,0,1]=4 4932 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|1,0,1]=4 4933 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|1,0,1]=4 4934 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|1,0,1]=4 4935 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|1,0,1]=4 4936 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,2,0,0,0,0|1,0,0]=3 4937 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,2,0,0,0,0|1,0,0]=3 4938 B8R0.20 CNC(C)C(OC)OC 270004a_106832991635_100000211384 [0,2,0,0,0,0|2,0,0]=4 4939 B8R0.20 CNC(C)C(OC)OC 34a_100102657272_100011222894 [0,2,0,0,0,0|2,0,0]=4 4940 B8R0.20 COC(C)C(OC)OC 34a_100000754440_200000210301 [0,2,0,0,0,0|2,0,0]=4 4941 B8R0.20 COC(C)C(OC)OC 34a_100138415774_100011222894 [0,2,0,0,0,0|2,0,0]=4 4942 B8R0.20 COC(C)C(OC)OC 7a_100000754440_200000210301 [0,2,0,0,0,0|2,0,0]=4 4943 B8R0.20 COC(OC)C(C)O[13CH3] 34a_100000754440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4944 B8R0.20 COC(OC)C(C)O[13CH3] 7a_100000754440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4945 B8R0.20 COC(OC)C(C)SC 62a_100011222894_200000210301 [0,2,0,0,0,0|2,0,0]=4 4946 B8R0.20 COC(OC)C(C)SC 62a_200000210301_100011222894 [0,2,0,0,0,0|2,0,0]=4 4947 B8R0.20 COC(OC)C(C)S[13CH3] 62a_100011222894_200025704644 [0,2,0,0,0,0|2,0,0]=4 4948 B8R0.20 COC(OC)C(C)S[13CH3] 62a_200025704644_100011222894 [0,2,0,0,0,0|2,0,0]=4 4949 B8R0.31 C#CC(C)(CC)NCC 2230a_100000054623_100000210202 [0,2,0,0,0,0|2,0,0]=4 4950 B8R0.31 C#CC(C)(CC)OCC 34a_100000686493_100000210202 [0,2,0,0,0,0|2,0,0]=4 4951 B8R0.31 C#CC(C)(CC)OCC 7a_100000686493_100000210202 [0,2,0,0,0,0|2,0,0]=4 4952 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [0,2,0,0,0,0|0,0,2]=4 4953 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [0,2,0,0,0,0|0,0,2]=4 4954 B8R0.31 CCCC(C)(CC)NC 7a_106832991635_200000040151 [0,2,0,0,0,0|1,0,0]=3 4955 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [0,2,0,0,0,0|0,0,0]=2 4956 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [0,2,0,0,0,0|0,0,0]=2 4957 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,2,0,0,0,0|0,1,0]=3 4958 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,2,0,0,0,0|0,1,0]=3 4959 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,2,0,0,0,0|0,1,0]=3 4960 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,2,0,0,0,0|0,1,0]=3 4961 B8R0.31 CCOC(C)(C#N)CC 7a_100000760259_100000210202 [0,2,0,0,0,0|2,0,0]=4 4962 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,2,0,0,0,0|2,0,0]=4 4963 B8R0.31 CCSC(C)(CC)CC 62a_100000210202_100009817345 [0,2,0,0,0,0|2,0,0]=4 4964 B8R0.31 CCSC(C)(CC)CC 62a_100009817345_100000210202 [0,2,0,0,0,0|2,0,0]=4 4965 B8R0.31 CNCC(C)(OC)OC 2230a_100000732740_200000210301 [0,2,0,0,0,0|2,0,0]=4 4966 B8R0.31 CNCC(C)(OC)OC 2230a_106832991635_100000064154 [0,2,0,0,0,0|2,0,0]=4 4967 B8R0.31 CNCC(C)(OC)OC 34a_100102657272_100000766008 [0,2,0,0,0,0|2,0,0]=4 4968 B8R0.31 COC(C)(CN[13CH3])OC 2230a_100000732740_200025704644 [0,2,0,0,0,0|2,0,0]=4 4969 B8R0.31 COC(C)(CSC)OC 62a_100000766008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4970 B8R0.31 COC(C)(CSC)OC 62a_200000210301_100000766008 [0,2,0,0,0,0|2,0,0]=4 4971 B8R0.31 COC(C)(CS[13CH3])OC 62a_100000766008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4972 B8R0.31 COC(C)(CS[13CH3])OC 62a_200025704644_100000766008 [0,2,0,0,0,0|2,0,0]=4 4973 B8R0.31 COCC(C)(OC)OC 34a_100138415774_100000766008 [0,2,0,0,0,0|2,0,0]=4 4974 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 4975 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|2,0,0]=4 4976 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 4977 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|2,0,0]=4 4978 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|2,0,0]=4 4979 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|2,0,0]=4 4980 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|2,0,0]=4 4981 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 4982 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 4983 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|2,0,0]=4 4984 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|2,0,0]=4 4985 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|2,0,0]=4 4986 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|2,0,0]=4 4987 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [1,0,0,1,0,0|1,0,0]=3 4988 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [1,0,0,1,0,0|1,0,0]=3 4989 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [1,0,0,1,0,0|1,0,0]=3 4990 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [1,0,0,1,0,0|1,1,0]=4 4991 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [1,0,0,1,0,0|1,0,0]=3 4992 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|2,0,0]=4 4993 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|2,0,0]=4 4994 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [1,0,0,1,0,0|1,0,0]=3 4995 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [1,0,0,1,0,0|1,0,0]=3 4996 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|2,0,0]=4 4997 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|2,0,0]=4 4998 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [1,0,0,1,0,0|1,0,0]=3 4999 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [1,0,0,1,0,0|1,0,0]=3 5000 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [1,0,0,1,0,0|1,1,0]=4 5001 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [1,0,0,1,0,0|1,1,0]=4 5002 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [1,0,0,1,0,0|1,0,0]=3 5003 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [1,0,0,1,0,0|1,0,0]=3 5004 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 5005 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|2,0,0]=4 5006 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|2,0,0]=4 5007 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [1,0,0,1,0,0|1,0,0]=3 5008 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|2,0,0]=4 5009 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|2,0,0]=4 5010 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [1,0,0,1,0,0|1,0,0]=3 5011 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [1,0,0,1,0,0|1,0,0]=3 5012 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [1,0,0,1,0,0|1,1,0]=4 5013 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [1,0,0,1,0,0|1,1,0]=4 5014 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [1,0,0,1,0,0|1,0,0]=3 5015 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [1,0,0,1,0,0|1,0,0]=3 5016 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 5017 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 5018 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,1,0,0|2,0,0]=4 5019 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 5020 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 5021 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,1,0,0|2,0,0]=4 5022 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 5023 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 5024 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [1,0,0,1,0,0|2,0,0]=4 5025 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [1,0,0,1,0,0|1,0,0]=3 5026 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 5027 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 5028 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [1,0,0,1,0,0|2,0,0]=4 5029 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [1,0,0,1,0,0|1,0,0]=3 5030 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [1,0,0,1,0,0|2,0,0]=4 5031 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 5032 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [1,0,0,1,0,0|2,0,0]=4 5033 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [1,0,0,1,0,0|2,0,0]=4 5034 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 5035 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [1,0,0,1,0,0|2,0,0]=4 5036 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,2]=4 5037 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 5038 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [1,0,0,1,0,0|2,0,0]=4 5039 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [1,0,0,1,0,0|2,0,0]=4 5040 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 5041 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [1,0,0,1,0,0|2,0,0]=4 5042 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,2]=4 5043 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,0]=3 5044 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,0]=3 5045 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,0]=3 5046 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,0]=3 5047 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,0]=3 5048 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,0]=3 5049 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,0]=3 5050 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,0]=3 5051 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,0]=3 5052 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [1,0,0,1,0,0|2,0,0]=4 5053 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [1,0,0,1,0,0|2,0,0]=4 5054 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [1,0,0,1,0,0|2,0,0]=4 5055 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,0]=3 5056 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,0]=3 5057 B6R1.6 COC1COC1 34a_100138415774_100009818527 [1,0,0,1,0,0|2,0,0]=4 5058 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,1,0,0|2,0,0]=4 5059 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,0]=3 5060 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|2,0,0]=4 5061 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [1,0,0,1,0,0|2,0,0]=4 5062 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,0]=3 5063 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,0]=3 5064 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [1,0,0,1,0,0|2,0,0]=4 5065 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,0]=3 5066 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,1,0,0|2,0,0]=4 5067 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,0]=3 5068 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|2,0,0]=4 5069 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|2,0,0]=4 5070 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|2,0,0]=4 5071 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|2,0,0]=4 5072 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|2,0,0]=4 5073 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,1,0,0|0,0,0]=2 5074 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,1,0,1,0,0|0,0,0]=2 5075 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,1,0,1,0,0|0,0,0]=2 5076 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,1,0,1,0,0|1,0,0]=3 5077 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,1,0,1,0,0|1,0,0]=3 5078 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,1,0,1,0,0|1,0,0]=3 5079 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,1,0,0|1,0,0]=3 5080 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,1,0,0|1,0,0]=3 5081 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,1,0,0|1,0,0]=3 5082 B8R1.1 CN1CCC(C1)C#N 2230a_100016989334_200000210301 [0,1,0,1,0,0|2,0,0]=4 5083 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 5084 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 5085 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,1,0,0|1,0,0]=3 5086 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|1,1,0]=4 5087 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,1,0,0|1,0,0]=3 5088 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|0,0,0]=2 5089 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,1,0,1,0,0|2,0,0]=4 5090 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|0,0,0]=2 5091 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|0,0,2]=4 5092 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,1,0,0|0,0,0]=2 5093 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,1,0,1,0,0|1,0,0]=3 5094 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,1,0,1,0,0|1,0,0]=3 5095 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,1,0,1,0,0|1,0,0]=3 5096 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,1,0,1,0,0|1,0,0]=3 5097 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|1,1,0]=4 5098 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,1,0,1,0,0|2,0,0]=4 5099 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,1,0,1,0,0|2,0,0]=4 5100 B8R1.1 FCN1CC[C@@H](C1)F 269982a_100015203821_100015361967 [0,1,0,1,0,0|2,0,0]=4 5101 B8R1.1 FCN1CC[C@@H](C1)F 34a_100015203821_100015361967 [0,1,0,1,0,0|2,0,0]=4 5102 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [0,1,0,1,0,0|1,0,0]=3 5103 B8R1.1 [13CH3]N1CCC(C1)C#N 2230a_100016989334_200025704644 [0,1,0,1,0,0|2,0,0]=4 5104 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 5105 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 5106 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,1,0,0|1,0,0]=3 5107 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|0,0,0]=2 5108 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|0,0,2]=4 5109 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,1,0,0|2,0,0]=4 5110 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,1,0,0|2,0,0]=4 5111 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,1,0,0|2,0,0]=4 5112 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,1,0,0|2,0,0]=4 5113 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,1,0,0|2,0,0]=4 5114 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,1,0,0|2,0,0]=4 5115 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,1,0,0|1,0,0]=3 5116 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,1,0,0|1,0,0]=3 5117 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,1,0,0|1,0,0]=3 5118 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,1,0,0|0,0,0]=2 5119 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,1,0,0|0,0,0]=2 5120 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,1,0,0|1,0,0]=3 5121 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,1,0,0|1,0,0]=3 5122 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,1,0,0|1,0,0]=3 5123 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,1,0,0|1,0,0]=3 5124 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,1,0,0|1,0,0]=3 5125 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,1,0,0|1,0,0]=3 5126 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,1,0,0|1,0,0]=3 5127 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,1,0,0|1,0,0]=3 5128 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,1,0,0|1,0,0]=3 5129 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,1,0,0|1,0,0]=3 5130 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,1,0,0|1,0,0]=3 5131 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,1,0,0|0,0,0]=2 5132 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,1,0,0|0,0,0]=2 5133 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,1,0,0|1,0,0]=3 5134 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,1,0,0|1,0,0]=3 5135 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200000210301 [0,1,0,1,0,0|1,0,0]=3 5136 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200000210301 [0,1,0,1,0,0|1,0,0]=3 5137 B8R1.18 CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_200000210301 [0,1,0,1,0,0|2,0,0]=4 5138 B8R1.18 CN1C[C@H]([C@H](C1)F)F 34a_100103146936_200000210301 [0,1,0,1,0,0|2,0,0]=4 5139 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [0,1,0,1,0,0|1,0,0]=3 5140 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [0,1,0,1,0,0|1,0,0]=3 5141 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 5142 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 5143 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 5144 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 5145 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200025704644 [0,1,0,1,0,0|1,0,0]=3 5146 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200025704644 [0,1,0,1,0,0|1,0,0]=3 5147 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)F)F 269982a_100103146936_200025704644 [0,1,0,1,0,0|2,0,0]=4 5148 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)F)F 34a_100103146936_200025704644 [0,1,0,1,0,0|2,0,0]=4 5149 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [0,1,0,1,0,0|1,0,0]=3 5150 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [0,1,0,1,0,0|1,0,0]=3 5151 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,1,0,1,0,0|2,0,0]=4 5152 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,1,0,1,0,0|2,0,0]=4 5153 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|1,0,1]=4 5154 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|1,0,1]=4 5155 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|0,0,1]=3 5156 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [0,1,0,1,0,0|2,0,0]=4 5157 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [0,1,0,1,0,0|2,0,0]=4 5158 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [0,1,0,1,0,0|2,0,0]=4 5159 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [0,1,0,1,0,0|2,0,0]=4 5160 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,1,0,1,0,0|2,0,0]=4 5161 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,1,0,1,0,0|2,0,0]=4 5162 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [0,1,0,1,0,0|2,0,0]=4 5163 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,1,0,1,0,0|2,0,0]=4 5164 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [0,1,0,1,0,0|2,0,0]=4 5165 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [0,1,0,1,0,0|2,0,0]=4 5166 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [0,1,0,1,0,0|2,0,0]=4 5167 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [0,1,0,1,0,0|2,0,0]=4 5168 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [0,1,0,1,0,0|2,0,0]=4 5169 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,1,0,1,0,0|1,0,0]=3 5170 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,1,0,1,0,0|1,0,0]=3 5171 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [0,1,0,1,0,0|2,0,0]=4 5172 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [0,1,0,1,0,0|2,0,0]=4 5173 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [0,1,0,1,0,0|2,0,0]=4 5174 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,1,0,1,0,0|2,0,0]=4 5175 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|1,0,1]=4 5176 B8R1.40 CC(CF)OC1CC1 34a_100016041109_100000211595 [0,1,0,1,0,0|2,0,0]=4 5177 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|2,0,0]=4 5178 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,1,0,1,0,0|2,0,0]=4 5179 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,1,0,1,0,0|2,0,0]=4 5180 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|0,0,2]=4 5181 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|0,0,2]=4 5182 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|0,0,2]=4 5183 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|0,0,2]=4 5184 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|0,0,2]=4 5185 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|0,0,2]=4 5186 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|0,0,2]=4 5187 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|0,0,2]=4 5188 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,1,0,1,0,0|1,0,0]=3 5189 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,1,0,1,0,0|1,0,0]=3 5190 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,1,0,1,0,0|2,0,0]=4 5191 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,1,0,1,0,0|2,0,0]=4 5192 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,1,0,1,0,0|2,0,0]=4 5193 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,1,0,1,0,0|2,0,0]=4 5194 B8R1.40 CCN(C)CC1CO1 2230a_100000225621_100011216344 [0,1,0,1,0,0|2,0,0]=4 5195 B8R1.40 CCN(C)CC1CO1 269982a_100000225621_102125554688 [0,1,0,1,0,0|2,0,0]=4 5196 B8R1.40 CCN(C)CC1CS1 269982a_100000225621_100000031435 [0,1,0,1,0,0|2,0,0]=4 5197 B8R1.40 CCN(C)C[C@@H]1CO1 269982a_100000225621_100000745022 [0,1,0,1,0,0|2,0,0]=4 5198 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,1,0,1,0,0|2,0,0]=4 5199 B8R1.40 COC(C)SC1CC1 62a_100009879195_100000211595 [0,1,0,1,0,0|2,0,0]=4 5200 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,1,0,1,0,0|2,0,0]=4 5201 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|1,0,1]=4 5202 B8R1.42 CC(C)NC1(CC1)C 2230a_100000757604_100000210206 [0,1,0,1,0,0|2,0,0]=4 5203 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,1,0,1,0,0|2,0,0]=4 5204 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|1,0,1]=4 5205 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|1,0,1]=4 5206 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|1,0,1]=4 5207 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,1,0,1,0,0|2,0,0]=4 5208 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,1,0,1,0,0|2,0,0]=4 5209 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,1,0,1,0,0|1,0,0]=3 5210 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,1,0,1,0,0|1,0,0]=3 5211 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,1,0,1,0,0|2,0,0]=4 5212 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,1,0,1,0,0|2,0,0]=4 5213 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,1,0,1,0,0|1,0,0]=3 5214 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,1,0,1,0,0|1,0,0]=3 5215 B8R1.51 CN1CCC(C1)(F)F 2230a_100000697292_200000210301 [0,1,0,1,0,0|2,0,0]=4 5216 B8R1.51 CN1CCC(C1)(F)F 269982a_100000697292_200000210301 [0,1,0,1,0,0|2,0,0]=4 5217 B8R1.51 CN1CCC(C1)(F)F 34a_100000697292_200000210301 [0,1,0,1,0,0|2,0,0]=4 5218 B8R1.51 [13CH3]N1CCC(C1)(F)F 2230a_100000697292_200025704644 [0,1,0,1,0,0|2,0,0]=4 5219 B8R1.51 [13CH3]N1CCC(C1)(F)F 269982a_100000697292_200025704644 [0,1,0,1,0,0|2,0,0]=4 5220 B8R1.51 [13CH3]N1CCC(C1)(F)F 34a_100000697292_200025704644 [0,1,0,1,0,0|2,0,0]=4 5221 B8R1.53 CCN1CC(C1)(C)C 2230a_100000753659_100000210202 [0,1,0,1,0,0|2,0,0]=4 5222 B8R1.53 CCN1CC(C1)(C)C 269982a_100000753659_100000204670 [0,1,0,1,0,0|2,0,0]=4 5223 B8R1.53 CCN1CC(C1)(C)F 2230a_100000696199_100000210202 [0,1,0,1,0,0|2,0,0]=4 5224 B8R1.53 CCN1CC(C1)(C)F 269982a_100000696199_100000204670 [0,1,0,1,0,0|2,0,0]=4 5225 B8R1.53 CCN1CC(C1)(C)O 2230a_100000718560_100000210202 [0,1,0,1,0,0|2,0,0]=4 5226 B8R1.53 CCN1CC(C1)(C)O 269982a_100000718560_100000204670 [0,1,0,1,0,0|2,0,0]=4 5227 B8R1.53 CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_200000210301 [0,1,0,1,0,0|2,0,0]=4 5228 B8R1.53 C[C@@]1(C[C@H](C1)N[13CH3])O 2230a_100121572536_200025704644 [0,1,0,1,0,0|2,0,0]=4 5229 B8R1.62 CCC1(CN(C1)C)O 2230a_100015191684_200000210301 [0,1,0,1,0,0|1,0,0]=3 5230 B8R1.62 CCC1(CN(C1)C)O 269982a_100015191684_200000210301 [0,1,0,1,0,0|1,0,0]=3 5231 B8R1.62 CCC1(CN(C1)[13CH3])O 2230a_100015191684_200025704644 [0,1,0,1,0,0|1,0,0]=3 5232 B8R1.62 CCC1(CN(C1)[13CH3])O 269982a_100015191684_200025704644 [0,1,0,1,0,0|1,0,0]=3 5233 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|0,0,2]=4 5234 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|0,0,2]=4 5235 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,1,0,1,0,0|1,0,0]=3 5236 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,1,0,1,0,0|1,0,0]=3 5237 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,1,0,1,0,0|1,0,0]=3 5238 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,1,0,1,0,0|2,0,0]=4 5239 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,1,0,1,0,0|2,0,0]=4 5240 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,1,0,1,0,0|2,0,0]=4 5241 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,1,0,1,0,0|2,0,0]=4 5242 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,1,0,1,0,0|2,0,0]=4 5243 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|2,0,0]=4 5244 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|2,0,0]=4 5245 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,1,0,0|1,0,0]=3 5246 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,1,0,0|1,0,0]=3 5247 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,1,0,0|1,0,0]=3 5248 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,1,0,0|1,0,0]=3 5249 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,1,0,0|1,0,0]=3 5250 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,1,0,0|1,0,0]=3 5251 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,1,0,0|1,0,0]=3 5252 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,1,0,0|1,0,0]=3 5253 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,1,0,0|1,0,0]=3 5254 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,1,0,0|1,0,0]=3 5255 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,1,0,0|1,1,0]=4 5256 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,1,0,0|2,0,0]=4 5257 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 5258 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,1,0,0|2,0,0]=4 5259 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 5260 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,1,0,0|2,0,0]=4 5261 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 5262 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,1,0,0|2,0,0]=4 5263 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 5264 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,1,0,0|2,0,0]=4 5265 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,1,0,0|2,0,0]=4 5266 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|0,0,2]=4 5267 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|0,0,2]=4 5268 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,1,0,0|0,0,0]=2 5269 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,1,0,0|0,0,0]=2 5270 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,1,0,0|0,0,0]=2 5271 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|1,0,0]=3 5272 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,1,0,0|1,0,0]=3 5273 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,1,0,0|1,0,0]=3 5274 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|1,0,0]=3 5275 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,1,0,0|1,0,0]=3 5276 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,1,0,0|1,0,0]=3 5277 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,1,0,0|1,0,0]=3 5278 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,1,0,0|1,0,0]=3 5279 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|2,0,0]=4 5280 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|2,0,0]=4 5281 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|0,1,0]=3 5282 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|0,1,0]=3 5283 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|1,0,0]=3 5284 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|1,1,0]=4 5285 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|1,1,0]=4 5286 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,1,0,1,0,0|2,0,0]=4 5287 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,1,0,1,0,0|2,0,0]=4 5288 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,1,0,0|1,0,0]=3 5289 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,1,0,0|1,0,0]=3 5290 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,1,0,0|1,0,0]=3 5291 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,1,0,0|1,0,0]=3 5292 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 5293 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 5294 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 5295 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 5296 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|0,0,2]=4 5297 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|0,0,2]=4 5298 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,1,0,0|0,0,0]=2 5299 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,1,0,0|0,0,0]=2 5300 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|1,0,0]=3 5301 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,1,0,0|1,0,0]=3 5302 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|1,0,0]=3 5303 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,1,0,0|1,0,0]=3 5304 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,1,0,0|1,0,0]=3 5305 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,1,0,0|1,0,0]=3 5306 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|2,0,0]=4 5307 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|2,0,0]=4 5308 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|0,1,0]=3 5309 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|0,1,0]=3 5310 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|1,0,0]=3 5311 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|1,1,0]=4 5312 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|1,1,0]=4 5313 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,1,0,0|1,0,1]=4 5314 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,1,0,0|1,0,1]=4 5315 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,1,0,0|1,0,1]=4 5316 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,1,0,0|1,0,1]=4 5317 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,1,0,0|1,0,1]=4 5318 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,1,0,0|1,0,1]=4 5319 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,1,0,0|1,0,0]=3 5320 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,1,0,0|1,0,0]=3 5321 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,1,0,0|1,0,0]=3 5322 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,1,0,0|1,0,0]=3 5323 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,1,0,0|1,0,0]=3 5324 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,1,0,0|1,0,0]=3 5325 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,1,0,1,0,0|1,0,0]=3 5326 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,1,0,1,0,0|1,0,0]=3 5327 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,1,0,1,0,0|1,0,0]=3 5328 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,1,0,1,0,0|0,0,0]=2 5329 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,1,0,1,0,0|0,0,0]=2 5330 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,1,0,1,0,0|2,0,0]=4 5331 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,1,0,1,0,0|2,0,0]=4 5332 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,1,0,1,0,0|2,0,0]=4 5333 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,1,0,1,0,0|2,0,0]=4 5334 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,1,0,0|1,0,1]=4 5335 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,1,0,0|1,0,1]=4 5336 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,1,0,1,0,0|1,0,0]=3 5337 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,1,0,1,0,0|1,0,0]=3 5338 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,1,0,1,0,0|1,0,0]=3 5339 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,1,0,1,0,0|0,0,0]=2 5340 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,1,0,1,0,0|0,0,0]=2 5341 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,1,0,0|1,0,1]=4 5342 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,1,0,0|1,0,1]=4 5343 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,1,0,0|2,0,0]=4 5344 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,1,0,0|2,0,0]=4 5345 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,1,0,0|2,0,0]=4 5346 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,1,0,0|2,0,0]=4 5347 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,1,0,0|2,0,0]=4 5348 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,1,0,0|2,0,0]=4 5349 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 5350 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 5351 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,1,0,0|2,0,0]=4 5352 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 5353 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 5354 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,1,0,0|2,0,0]=4 5355 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [0,1,0,1,0,0|2,0,0]=4 5356 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [0,1,0,1,0,0|2,0,0]=4 5357 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,1,0,1,0,0|2,0,0]=4 5358 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,1,0,1,0,0|2,0,0]=4 5359 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,1,0,1,0,0|2,0,0]=4 5360 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,1,0,1,0,0|1,0,0]=3 5361 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,1,0,1,0,0|1,0,0]=3 5362 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [0,1,0,1,0,0|2,0,0]=4 5363 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,1,0,1,0,0|2,0,0]=4 5364 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,1,0,1,0,0|1,0,0]=3 5365 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,1,0,1,0,0|1,0,0]=3 5366 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,1,0,1,0,0|1,0,0]=3 5367 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,1,0,1,0,0|2,0,0]=4 5368 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,1,0,1,0,0|1,0,0]=3 5369 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,1,0,1,0,0|1,0,0]=3 5370 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,1,0,1,0,0|2,0,0]=4 5371 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,1,0,1,0,0|2,0,0]=4 5372 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,1,0,1,0,0|1,0,0]=3 5373 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,1,0,1,0,0|2,0,0]=4 5374 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,1,0,1,0,0|1,0,0]=3 5375 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,1,0,1,0,0|1,0,0]=3 5376 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,1,0,1,0,0|1,0,0]=3 5377 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,1,0,1,0,0|1,0,0]=3 5378 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,1,0,1,0,0|0,0,0]=2 5379 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [0,1,0,1,0,0|2,0,0]=4 5380 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [0,1,0,1,0,0|2,0,0]=4 5381 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [0,1,0,1,0,0|2,0,0]=4 5382 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,1,0,1,0,0|0,0,0]=2 5383 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,1,0,1,0,0|0,0,0]=2 5384 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,1,0,1,0,0|1,0,0]=3 5385 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,1,0,1,0,0|1,0,0]=3 5386 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,1,0,1,0,0|0,0,0]=2 5387 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,1,0,1,0,0|0,0,0]=2 5388 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [0,1,0,1,0,0|2,0,0]=4 5389 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [0,1,0,1,0,0|2,0,0]=4 5390 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [0,1,0,1,0,0|2,0,0]=4 5391 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,1,0,1,0,0|2,0,0]=4 5392 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,1,0,1,0,0|1,0,0]=3 5393 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,1,0,1,0,0|1,0,0]=3 5394 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,1,0,1,0,0|0,0,0]=2 5395 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,1,0,1,0,0|0,0,0]=2 5396 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [0,1,0,1,0,0|2,0,0]=4 5397 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [0,1,0,1,0,0|2,0,0]=4 5398 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [0,1,0,1,0,0|2,0,0]=4 5399 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [0,1,0,1,0,0|2,0,0]=4 5400 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [0,1,0,1,0,0|2,0,0]=4 5401 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [0,1,0,1,0,0|2,0,0]=4 5402 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,1,0,1,0,0|2,0,0]=4 5403 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [0,1,0,1,0,0|2,0,0]=4 5404 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [0,1,0,1,0,0|2,0,0]=4 5405 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [0,1,0,1,0,0|2,0,0]=4 5406 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [0,1,0,1,0,0|2,0,0]=4 5407 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,1,0,1,0,0|2,0,0]=4 5408 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [0,1,0,1,0,0|2,0,0]=4 5409 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [0,1,0,1,0,0|2,0,0]=4 5410 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [0,1,0,1,0,0|2,0,0]=4 5411 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [0,1,0,1,0,0|2,0,0]=4 5412 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [0,1,0,1,0,0|2,0,0]=4 5413 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [0,1,0,1,0,0|2,0,0]=4 5414 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [0,1,0,1,0,0|1,0,0]=3 5415 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [0,1,0,1,0,0|2,0,0]=4 5416 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [0,1,0,1,0,0|1,0,0]=3 5417 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [0,1,0,1,0,0|2,0,0]=4 5418 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [0,1,0,1,0,0|2,0,0]=4 5419 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,1,0,1,0,0|1,0,0]=3 5420 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,1,0,1,0,0|1,0,0]=3 5421 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [0,1,0,1,0,0|2,0,0]=4 5422 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,1,0,1,0,0|2,0,0]=4 5423 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,1,0,1,0,0|2,0,0]=4 5424 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,1,0,1,0,0|2,0,0]=4 5425 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,1,0,1,0,0|2,0,0]=4 5426 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,1,0,1,0,0|2,0,0]=4 5427 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [0,1,0,1,0,0|2,0,0]=4 5428 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,1,0,1,0,0|2,0,0]=4 5429 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [0,1,0,1,0,0|2,0,0]=4 5430 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [0,1,0,1,0,0|2,0,0]=4 5431 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [0,1,0,1,0,0|2,0,0]=4 5432 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,1,0,1,0,0|2,0,0]=4 5433 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,1,0,1,0,0|2,0,0]=4 5434 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,1,0,1,0,0|1,0,0]=3 5435 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,1,0,1,0,0|1,0,0]=3 5436 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,2]=4 5437 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,2]=4 5438 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,2]=4 5439 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 5440 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 5441 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 5442 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 5443 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 5444 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 5445 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [0,1,0,1,0,0|2,0,0]=4 5446 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [0,1,0,1,0,0|2,0,0]=4 5447 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [0,1,0,1,0,0|2,0,0]=4 5448 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 5449 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 5450 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 5451 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,1,0,1,0,0|2,0,0]=4 5452 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,1,0,1,0,0|2,0,0]=4 5453 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,1,0,1,0,0|2,0,0]=4 5454 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 5455 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 5456 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 5457 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,1,0,1,0,0|2,0,0]=4 5458 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,1,0,1,0,0|2,0,0]=4 5459 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,1,0,1,0,0|2,0,0]=4 5460 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 5461 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,1,0,1,0,0|2,0,0]=4 5462 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 5463 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|2,0,0]=4 5464 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|0,0,2]=4 5465 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|0,0,2]=4 5466 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,0,1]=3 5467 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|0,0,2]=4 5468 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|0,0,2]=4 5469 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|0,0,2]=4 5470 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|0,0,2]=4 5471 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|0,0,2]=4 5472 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,1,0,1,0,0|1,0,0]=3 5473 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,1,0,1,0,0|2,0,0]=4 5474 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,1,0,1,0,0|2,0,0]=4 5475 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,1,0,1,0,0|2,0,0]=4 5476 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,1,0,1,0,0|2,0,0]=4 5477 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,1,0,1,0,0|2,0,0]=4 5478 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,1,0,1,0,0|2,0,0]=4 5479 B8R1.38 CCN(C)C1COC1 2230a_100102693430_100000210202 [0,1,0,1,0,0|2,0,0]=4 5480 B8R1.38 CCN(C)C1COC1 2230a_200015199590_200000210301 [0,1,0,1,0,0|2,0,0]=4 5481 B8R1.38 CCN(C)C1COC1 269982a_100000225621_100000687716 [0,1,0,1,0,0|2,0,0]=4 5482 B8R1.38 CCN(C)C1COC1 269982a_100102693430_100000204670 [0,1,0,1,0,0|2,0,0]=4 5483 B8R1.38 CCN(C)C1COC1 269982a_200015199590_200000210301 [0,1,0,1,0,0|2,0,0]=4 5484 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,1,0,1,0,0|2,0,0]=4 5485 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,1,0,1,0,0|2,0,0]=4 5486 B8R1.38 CCN([13CH3])C1COC1 2230a_200015199590_200025704644 [0,1,0,1,0,0|2,0,0]=4 5487 B8R1.38 CCN([13CH3])C1COC1 269982a_200015199590_200025704644 [0,1,0,1,0,0|2,0,0]=4 5488 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|1,0,1]=4 5489 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 5490 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 5491 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|1,0,1]=4 5492 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 5493 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,1,0,1,0,0|2,0,0]=4 5494 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,1,0,1,0,0|2,0,0]=4 5495 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 5496 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|2,0,0]=4 5497 B8R1.38 COC(C)N1CCC1 269982a_100000754969_100009879195 [0,1,0,1,0,0|2,0,0]=4 5498 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,1,0,1,0,0|2,0,0]=4 5499 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|1,0,1]=4 5500 B8R1.41 CC1(CC1)COCF 7a_100000698024_100015361967 [0,1,0,1,0,0|2,0,0]=4 5501 B8R1.41 CC1(CC1)NCCF 2230a_100000757604_100011217306 [0,1,0,1,0,0|2,0,0]=4 5502 B8R1.41 CC1(CC1)NCCO 2230a_100000757604_100000211926 [0,1,0,1,0,0|2,0,0]=4 5503 B8R1.41 CC1(CC1)OCCF 7a_100011725673_100011217306 [0,1,0,1,0,0|2,0,0]=4 5504 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,1,0,1,0,0|2,0,0]=4 5505 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,1,0,1,0,0|1,0,0]=3 5506 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,1,0,1,0,0|1,0,0]=3 5507 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [0,1,0,1,0,0|1,0,0]=3 5508 B8R1.41 CCNCC1(CC1)O 2230a_100011936951_100000210202 [0,1,0,1,0,0|0,0,0]=2 5509 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [0,1,0,1,0,0|1,0,0]=3 5510 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [0,1,0,1,0,0|1,0,0]=3 5511 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [0,1,0,1,0,0|1,0,0]=3 5512 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,1,0,1,0,0|2,0,0]=4 5513 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,1,0,1,0,0|2,0,0]=4 5514 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,1,0,1,0,0|2,0,0]=4 5515 B8R1.41 COCNC1(CC1)C 2230a_100000757604_100000766300 [0,1,0,1,0,0|2,0,0]=4 5516 B8R1.41 CSCNC1(CC1)C 2230a_100000757604_100011218213 [0,1,0,1,0,0|2,0,0]=4 5517 B8R1.41 FCOCC1(CC1)F 34a_200000703853_100015361967 [0,1,0,1,0,0|2,0,0]=4 5518 B8R1.41 FCOCC1(CC1)F 7a_200000703853_100015361967 [0,1,0,1,0,0|2,0,0]=4 5519 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,1,0,1,0,0|0,0,0]=2 5520 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,1,0,1,0,0|0,0,0]=2 5521 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,1,0,1,0,0|1,0,0]=3 5522 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,1,0,1,0,0|1,0,0]=3 5523 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,1,0,1,0,0|1,0,0]=3 5524 B8R1.47 CCC1CN(C1)CF 269982a_100015205115_100015361967 [0,1,0,1,0,0|2,0,0]=4 5525 B8R1.47 CCN1CC(C1)CF 269982a_100010363649_100000204670 [0,1,0,1,0,0|2,0,0]=4 5526 B8R1.47 CCN1CC(C1)CF 34a_100010363649_100000210202 [0,1,0,1,0,0|2,0,0]=4 5527 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [0,1,0,1,0,0|2,0,0]=4 5528 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [0,1,0,1,0,0|2,0,0]=4 5529 B8R1.47 CCN1CC(C1)NC 2230a_200015199589_200000210301 [0,1,0,1,0,0|2,0,0]=4 5530 B8R1.47 CCN1CC(C1)N[13CH3] 2230a_200015199589_200025704644 [0,1,0,1,0,0|2,0,0]=4 5531 B8R1.47 CCN1CC(C1)OC 269982a_100000755009_100000204670 [0,1,0,1,0,0|2,0,0]=4 5532 B8R1.47 CCN1CC(C1)SC 269982a_100016990038_100000204670 [0,1,0,1,0,0|2,0,0]=4 5533 B8R1.47 CNC1CC(C1)CO 270004a_106832991635_100000101936 [0,1,0,1,0,0|2,0,0]=4 5534 B8R1.47 CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_200000210301 [0,1,0,1,0,0|2,0,0]=4 5535 B8R1.47 CO[C@H]1C[C@@H](C1)N[13CH3] 2230a_100121570643_200025704644 [0,1,0,1,0,0|2,0,0]=4 5536 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,1,0,1,0,0|2,0,0]=4 5537 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,1,0,1,0,0|2,0,0]=4 5538 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,1,0,1,0,0|2,0,0]=4 5539 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,1,0,1,0,0|2,0,0]=4 5540 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 5541 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 5542 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,1,0,1,0,0|2,0,0]=4 5543 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 5544 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 5545 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,1,0,1,0,0|2,0,0]=4 5546 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 5547 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 5548 B8R1.52 CC1(CCOC1)N[13CH3] 2230a_100000693475_200025704644 [0,1,0,1,0,0|2,0,0]=4 5549 B8R1.52 CNC1(CCOC1)C 2230a_100000693475_200000210301 [0,1,0,1,0,0|2,0,0]=4 5550 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 5551 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 5552 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,1]=4 5553 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,1]=4 5554 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|0,1,1]=4 5555 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|0,0,1]=3 5556 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [0,1,0,1,0,0|2,0,0]=4 5557 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [0,1,0,1,0,0|2,0,0]=4 5558 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 5559 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 5560 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 5561 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 5562 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,1,0,1,0,0|2,0,0]=4 5563 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 5564 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 5565 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 5566 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 5567 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,1]=4 5568 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|0,1,1]=4 5569 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|0,0,1]=3 5570 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 5571 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 5572 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,1,0,1,0,0|2,0,0]=4 5573 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 5574 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 5575 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,1,0,1,0,0|2,0,0]=4 5576 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|1,0,1]=4 5577 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|1,0,1]=4 5578 B8R1.23 CC1CN(C1)C(C)C 2230a_100000702820_100000210206 [0,1,0,1,0,0|2,0,0]=4 5579 B8R1.23 CC1CN(C1)C(C)C 269982a_100000702820_100000210206 [0,1,0,1,0,0|2,0,0]=4 5580 B8R1.23 CC1CN(C1)C(C)C 34a_100000702820_100000210206 [0,1,0,1,0,0|2,0,0]=4 5581 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,1,0,1,0,0|2,0,0]=4 5582 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,1,0,1,0,0|2,0,0]=4 5583 B8R1.27 CC1(OC1CO[13CH3])C 34a_200010283642_200025704644 [0,1,0,1,0,0|1,0,0]=3 5584 B8R1.27 CC1(OC1CO[13CH3])C 7a_200010283642_200025704644 [0,1,0,1,0,0|1,0,0]=3 5585 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,1,0,1,0,0|2,0,0]=4 5586 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,1,0,1,0,0|2,0,0]=4 5587 B8R1.27 COCC1OC1(C)C 34a_200010283642_200000210301 [0,1,0,1,0,0|1,0,0]=3 5588 B8R1.27 COCC1OC1(C)C 7a_200010283642_200000210301 [0,1,0,1,0,0|1,0,0]=3 5589 B8R1.37 CC(NCF)C1CC1 34a_100000700016_100015361967 [0,1,0,1,0,0|2,0,0]=4 5590 B8R1.37 CC(OCF)C1CC1 34a_100000744524_100015361967 [0,1,0,1,0,0|2,0,0]=4 5591 B8R1.37 CC(OCF)C1CC1 7a_100000744524_100015361967 [0,1,0,1,0,0|2,0,0]=4 5592 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|0,0,2]=4 5593 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|0,0,2]=4 5594 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 5595 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 5596 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 5597 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,1,0,1,0,0|2,0,0]=4 5598 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 5599 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 5600 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 5601 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,1,0,1,0,0|0,0,2]=4 5602 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,1,0,1,0,0|0,0,2]=4 5603 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,1,0,1,0,0|0,0,2]=4 5604 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,1,0,1,0,0|1,0,0]=3 5605 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,1,0,1,0,0|1,0,0]=3 5606 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,1,0,1,0,0|1,0,0]=3 5607 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,1,0,1,0,0|2,0,0]=4 5608 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,1,0,1,0,0|1,0,0]=3 5609 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,1,0,1,0,0|1,0,0]=3 5610 B8R1.37 CN(CCF)C1CC1 2230a_100000226674_100011217306 [0,1,0,1,0,0|2,0,0]=4 5611 B8R1.37 CN(CCF)C1CC1 269982a_100000226674_100011217306 [0,1,0,1,0,0|2,0,0]=4 5612 B8R1.37 CN(CCO)C1CC1 2230a_100000226674_100000211926 [0,1,0,1,0,0|2,0,0]=4 5613 B8R1.37 CN(CCO)C1CC1 2230a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 5614 B8R1.37 CN(CCO)C1CC1 269982a_100000210263_100000211595 [0,1,0,1,0,0|2,0,0]=4 5615 B8R1.37 CN(CCO)C1CC1 269982a_100000226674_100000211926 [0,1,0,1,0,0|2,0,0]=4 5616 B8R1.37 CN(CCO)C1CC1 269982a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 5617 B8R1.37 CN(CCO)C1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 5618 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,1,0,1,0,0|0,0,2]=4 5619 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,1,0,1,0,0|0,0,2]=4 5620 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,1,0,1,0,0|0,0,2]=4 5621 B8R1.37 CNCC(O)C1CC1 2230a_100000751198_200000210301 [0,1,0,1,0,0|0,0,0]=2 5622 B8R1.37 CNCC(O)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|0,0,0]=2 5623 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|0,0,2]=4 5624 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|0,0,2]=4 5625 B8R1.37 COCN(C)C1CC1 2230a_100000226674_100000766300 [0,1,0,1,0,0|2,0,0]=4 5626 B8R1.37 COCN(C)C1CC1 269982a_100000226674_100000766300 [0,1,0,1,0,0|2,0,0]=4 5627 B8R1.37 COC[C@H](N)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|1,0,0]=3 5628 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|0,0,2]=4 5629 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|0,0,2]=4 5630 B8R1.37 CSCN(C)C1CC1 2230a_100000226674_100011218213 [0,1,0,1,0,0|2,0,0]=4 5631 B8R1.37 CSCN(C)C1CC1 269982a_100000226674_100011218213 [0,1,0,1,0,0|2,0,0]=4 5632 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|0,0,2]=4 5633 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|0,0,2]=4 5634 B8R1.37 [13CH3]N(CCO)C1CC1 2230a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 5635 B8R1.37 [13CH3]N(CCO)C1CC1 269982a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 5636 B8R1.37 [13CH3]N(CCO)C1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 5637 B8R1.37 [13CH3]NCC(O)C1CC1 2230a_100000751198_200025704644 [0,1,0,1,0,0|0,0,0]=2 5638 B8R1.37 [13CH3]NCC(O)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|0,0,0]=2 5639 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|0,0,2]=4 5640 B8R1.37 [13CH3]OC[C@H](N)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|1,0,0]=3 5641 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|0,0,2]=4 5642 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|0,0,2]=4 5643 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,1,0,1,0,0|0,0,2]=4 5644 B8R1.54 CC(C)N(C)C1CC1 2230a_100000226674_100000210206 [0,1,0,1,0,0|2,0,0]=4 5645 B8R1.54 CC(C)N(C)C1CC1 2230a_100000226676_200000210301 [0,1,0,1,0,0|2,0,0]=4 5646 B8R1.54 CC(C)N(C)C1CC1 269982a_100000226674_100000210206 [0,1,0,1,0,0|2,0,0]=4 5647 B8R1.54 CC(C)N(C)C1CC1 269982a_100000226676_200000210301 [0,1,0,1,0,0|2,0,0]=4 5648 B8R1.54 CC(C)N(C)C1CC1 269982a_200000211004_100000211595 [0,1,0,1,0,0|2,0,0]=4 5649 B8R1.54 CC(C)N(C)C1CC1 34a_100000226676_200000210301 [0,1,0,1,0,0|2,0,0]=4 5650 B8R1.54 CC(C)N([13CH3])C1CC1 2230a_100000226676_200025704644 [0,1,0,1,0,0|2,0,0]=4 5651 B8R1.54 CC(C)N([13CH3])C1CC1 269982a_100000226676_200025704644 [0,1,0,1,0,0|2,0,0]=4 5652 B8R1.54 CC(C)N([13CH3])C1CC1 34a_100000226676_200025704644 [0,1,0,1,0,0|2,0,0]=4 5653 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|1,0,1]=4 5654 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|0,0,1]=3 5655 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,1,0,0|1,0,1]=4 5656 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|1,0,1]=4 5657 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|0,0,1]=3 5658 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,1,0,0|1,0,1]=4 5659 B8R1.6 CC1CN(C1)CCF 2230a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 5660 B8R1.6 CC1CN(C1)CCF 269982a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 5661 B8R1.6 CC1CN(C1)CCF 34a_100000702820_100011217306 [0,1,0,1,0,0|2,0,0]=4 5662 B8R1.6 CC1CN(C1)CCO 2230a_100000702820_100000211926 [0,1,0,1,0,0|2,0,0]=4 5663 B8R1.6 CC1CN(C1)CCO 269982a_100000702820_100000211926 [0,1,0,1,0,0|2,0,0]=4 5664 B8R1.6 CC1CN(C1)CCO 34a_100000702820_100000211926 [0,1,0,1,0,0|2,0,0]=4 5665 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 5666 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 5667 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 5668 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 5669 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 5670 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [0,1,0,1,0,0|2,0,0]=4 5671 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,1,0,1,0,0|2,0,0]=4 5672 B8R1.6 CCNC1CC(C1)F 2230a_100016993743_100000210202 [0,1,0,1,0,0|2,0,0]=4 5673 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [0,1,0,1,0,0|2,0,0]=4 5674 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,1,0,1,0,0|2,0,0]=4 5675 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,1,0,1,0,0|2,0,0]=4 5676 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,1,0,1,0,0|2,0,0]=4 5677 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,1,0,1,0,0|2,0,0]=4 5678 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [0,1,0,1,0,0|2,0,0]=4 5679 B8R1.6 COCC1CC(C1)Cl 34a_100009874164_200000210301 [0,1,0,1,0,0|2,0,0]=4 5680 B8R1.6 COCC1CN(C1)C 2230a_100016993750_200000210301 [0,1,0,1,0,0|2,0,0]=4 5681 B8R1.6 COCC1CN(C1)C 269982a_100016993750_200000210301 [0,1,0,1,0,0|2,0,0]=4 5682 B8R1.6 COCC1CN(C1)C 34a_100016993750_200000210301 [0,1,0,1,0,0|2,0,0]=4 5683 B8R1.6 COCC1CN(C1)[13CH3] 2230a_100016993750_200025704644 [0,1,0,1,0,0|2,0,0]=4 5684 B8R1.6 COCC1CN(C1)[13CH3] 269982a_100016993750_200025704644 [0,1,0,1,0,0|2,0,0]=4 5685 B8R1.6 COCC1CN(C1)[13CH3] 34a_100016993750_200025704644 [0,1,0,1,0,0|2,0,0]=4 5686 B8R1.6 COCN1CC(C1)C 2230a_100000702820_100000766300 [0,1,0,1,0,0|2,0,0]=4 5687 B8R1.6 COCN1CC(C1)C 269982a_100000702820_100000766300 [0,1,0,1,0,0|2,0,0]=4 5688 B8R1.6 CSCN1CC(C1)C 2230a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 5689 B8R1.6 CSCN1CC(C1)C 269982a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 5690 B8R1.6 CSCN1CC(C1)C 34a_100000702820_100011218213 [0,1,0,1,0,0|2,0,0]=4 5691 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [0,1,0,1,0,0|2,0,0]=4 5692 B8R1.6 [13CH3]OCC1CC(C1)Cl 34a_100009874164_200025704644 [0,1,0,1,0,0|2,0,0]=4 5693 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,1,0,1,0,0|2,0,0]=4 5694 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,1,0,1,0,0|2,0,0]=4 5695 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|1,1,0]=4 5696 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|1,1,0]=4 5697 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,1,0,1,0,0|1,0,0]=3 5698 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,1,0,1,0,0|1,0,0]=3 5699 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,1,0,1,0,0|1,0,0]=3 5700 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,1,0,1,0,0|1,0,0]=3 5701 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,1,0,1,0,0|1,0,0]=3 5702 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,1,0,1,0,0|1,0,0]=3 5703 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,1,0,1,0,0|1,1,0]=4 5704 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,1,0,1,0,0|1,0,0]=3 5705 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,1,0,1,0,0|1,0,0]=3 5706 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,1,0,1,0,0|1,0,0]=3 5707 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,1,0,1,0,0|1,0,0]=3 5708 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,1,0,1,0,0|1,0,0]=3 5709 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,1,0,1,0,0|1,0,0]=3 5710 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,1,0,1,0,0|0,0,0]=2 5711 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,1,0,1,0,0|1,0,0]=3 5712 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,1,0,0|1,1,0]=4 5713 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,1,0,1,0,0|1,0,0]=3 5714 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,0]=3 5715 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,0]=3 5716 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,1,0,0|1,0,0]=3 5717 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,1,0,1,0,0|1,0,0]=3 5718 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,1,0,1,0,0|1,0,0]=3 5719 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,1,0,1,0,0|1,0,0]=3 5720 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,1,0,1,0,0|1,0,0]=3 5721 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,1,0,1,0,0|1,0,0]=3 5722 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,1,0,1,0,0|1,0,0]=3 5723 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,1,0,1,0,0|0,0,0]=2 5724 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,1,0,1,0,0|0,0,0]=2 5725 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [0,1,0,1,0,0|1,0,0]=3 5726 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [0,1,0,1,0,0|1,0,0]=3 5727 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [0,1,0,1,0,0|1,0,0]=3 5728 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [0,1,0,1,0,0|1,0,0]=3 5729 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [0,1,0,1,0,0|1,0,0]=3 5730 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,1,0,1,0,0|1,0,0]=3 5731 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,1,0,1,0,0|1,0,0]=3 5732 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,1,0,1,0,0|1,0,0]=3 5733 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,1,0,1,0,0|1,0,0]=3 5734 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,1,0,1,0,0|1,0,0]=3 5735 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,1,0,1,0,0|0,0,0]=2 5736 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,1,0,1,0,0|0,0,0]=2 5737 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,1,0,1,0,0|1,0,0]=3 5738 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,1,0,1,0,0|1,0,0]=3 5739 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,1,0,1,0,0|1,0,0]=3 5740 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,1,0,1,0,0|0,0,0]=2 5741 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,1,0,1,0,0|0,0,0]=2 5742 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [0,1,0,1,0,0|2,0,0]=4 5743 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [0,1,0,1,0,0|1,0,0]=3 5744 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [0,1,0,1,0,0|1,0,0]=3 5745 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [0,1,0,1,0,0|1,0,0]=3 5746 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,1,0,1,0,0|1,0,0]=3 5747 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,1,0,1,0,0|1,0,0]=3 5748 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [0,1,0,1,0,0|2,0,0]=4 5749 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [0,1,0,1,0,0|2,0,0]=4 5750 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 5751 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|1,0,0]=3 5752 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|1,0,0]=3 5753 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|0,0,0]=2 5754 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|0,0,0]=2 5755 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,1,0,0|1,0,0]=3 5756 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,1,0,0|1,0,0]=3 5757 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,1,0,1,0,0|1,0,0]=3 5758 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,1,0,1,0,0|1,0,0]=3 5759 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,1,0,1,0,0|2,0,0]=4 5760 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,1,0,1,0,0|2,0,0]=4 5761 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,1,0,1,0,0|2,0,0]=4 5762 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,1,0,1,0,0|2,0,0]=4 5763 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,1,0,1,0,0|2,0,0]=4 5764 B8R1.8 FCN[C@H]1CCOC1 34a_100015188467_100015361967 [0,1,0,1,0,0|2,0,0]=4 5765 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,1,0,1,0,0|2,0,0]=4 5766 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,1,0,1,0,0|2,0,0]=4 5767 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,1,0,1,0,0|1,0,0]=3 5768 B8R1.8 FCO[C@H]1CCOC1 34a_100000717292_100015361967 [0,1,0,1,0,0|2,0,0]=4 5769 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|2,0,0]=4 5770 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|2,0,0]=4 5771 B8R1.8 FCSC1CCOC1 62a_100015361967_100000690089 [0,1,0,1,0,0|2,0,0]=4 5772 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,1,0,1,0,0|2,0,0]=4 5773 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,1,0,1,0,0|2,0,0]=4 5774 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,1,0,1,0,0|1,0,0]=3 5775 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,1,0,1,0,0|1,0,0]=3 5776 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [0,1,0,1,0,0|1,0,0]=3 5777 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [0,1,0,1,0,0|1,0,0]=3 5778 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,1,0,1,0,0|1,0,0]=3 5779 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,1,0,1,0,0|1,0,0]=3 5780 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,1,0,1,0,0|0,0,0]=2 5781 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,1,0,1,0,0|0,0,0]=2 5782 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,1,0,1,0,0|1,0,0]=3 5783 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,1,0,1,0,0|1,0,0]=3 5784 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,1,0,1,0,0|0,0,0]=2 5785 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,1,0,1,0,0|0,0,0]=2 5786 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [0,1,0,1,0,0|2,0,0]=4 5787 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [0,1,0,1,0,0|1,0,0]=3 5788 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [0,1,0,1,0,0|1,0,0]=3 5789 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,1,0,1,0,0|1,0,0]=3 5790 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 5791 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|1,0,0]=3 5792 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|1,0,0]=3 5793 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|0,0,0]=2 5794 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|0,0,0]=2 5795 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,1,0,0|1,0,0]=3 5796 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,1,0,0|1,0,0]=3 5797 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,1,0,1,0,0|1,0,0]=3 5798 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,1,0,1,0,0|1,0,0]=3 5799 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|0,0,0]=2 5800 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|0,0,0]=2 5801 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,1,0,0|1,0,0]=3 5802 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,1,0,0|1,0,0]=3 5803 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,1,0,0|1,0,0]=3 5804 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,1,0,0|1,0,0]=3 5805 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,1,0,0|1,0,0]=3 5806 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,1,0,0|1,0,0]=3 5807 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,1,0,1,0,0|1,0,0]=3 5808 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,1,0,1,0,0|1,0,0]=3 5809 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,1,0,1,0,0|1,0,0]=3 5810 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,1,0,1,0,0|1,0,0]=3 5811 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,1,0,1,0,0|1,0,0]=3 5812 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,1,0,1,0,0|2,0,0]=4 5813 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,1,0,1,0,0|2,0,0]=4 5814 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,1,0,1,0,0|2,0,0]=4 5815 B8R1.11 CN1CCCC1C#N 2230a_100000701862_200000210301 [0,1,0,1,0,0|2,0,0]=4 5816 B8R1.11 CN1CCC[C@@H]1C#N 2230a_106645074975_200000210301 [0,1,0,1,0,0|2,0,0]=4 5817 B8R1.11 CN1CCC[C@@H]1C#N 269982a_106645074975_200000210301 [0,1,0,1,0,0|2,0,0]=4 5818 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 5819 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 5820 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,1,0,0|1,0,0]=3 5821 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 5822 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|0,0,2]=4 5823 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 5824 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,1,0,0|1,0,0]=3 5825 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|2,0,0]=4 5826 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,1,0,0|1,0,0]=3 5827 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,1,0,0|1,0,0]=3 5828 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,1,0,0|1,0,0]=3 5829 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,2]=4 5830 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,2]=4 5831 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|0,0,0]=2 5832 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|0,0,0]=2 5833 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,1,0,1,0,0|1,0,0]=3 5834 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|1,0,0]=3 5835 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|1,0,0]=3 5836 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|1,0,0]=3 5837 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,1,0,0|2,0,0]=4 5838 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,2]=4 5839 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,2]=4 5840 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,1,0,0|1,0,0]=3 5841 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,1,0,0|1,0,0]=3 5842 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|0,0,0]=2 5843 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|0,0,0]=2 5844 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,1,0,1,0,0|2,0,0]=4 5845 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,1,0,1,0,0|2,0,0]=4 5846 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|1,0,0]=3 5847 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,1,0,1,0,0|2,0,0]=4 5848 B8R1.11 [13CH3]N1CCCC1C#N 2230a_100000701862_200025704644 [0,1,0,1,0,0|2,0,0]=4 5849 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 2230a_106645074975_200025704644 [0,1,0,1,0,0|2,0,0]=4 5850 B8R1.11 [13CH3]N1CCC[C@@H]1C#N 269982a_106645074975_200025704644 [0,1,0,1,0,0|2,0,0]=4 5851 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 5852 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 5853 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,1,0,0|1,0,0]=3 5854 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,1,0,0|1,0,0]=3 5855 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,2]=4 5856 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|1,0,0]=3 5857 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|1,0,0]=3 5858 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,1,0,0|2,0,0]=4 5859 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,2]=4 5860 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,2]=4 5861 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,1,0,0|1,0,0]=3 5862 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,1,0,0|1,0,0]=3 5863 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|0,0,0]=2 5864 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|0,0,0]=2 5865 B8R1.66 CC1(CCC1)CN[13CH3] 2230a_100000706607_200025704644 [0,1,0,1,0,0|1,0,0]=3 5866 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,1,0,1,0,0|1,0,0]=3 5867 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,1,0,1,0,0|1,0,0]=3 5868 B8R1.66 CC1(CCC1)NCF 34a_100000692455_100015361967 [0,1,0,1,0,0|2,0,0]=4 5869 B8R1.66 CC1(CCC1)OCF 34a_100000759064_100015361967 [0,1,0,1,0,0|2,0,0]=4 5870 B8R1.66 CC1(CCC1)OCF 7a_100000759064_100015361967 [0,1,0,1,0,0|2,0,0]=4 5871 B8R1.66 CC1(COC1)CN[13CH3] 2230a_100020631278_200025704644 [0,1,0,1,0,0|2,0,0]=4 5872 B8R1.66 CC1(COC1)CS[13CH3] 62a_100009817586_200025704644 [0,1,0,1,0,0|2,0,0]=4 5873 B8R1.66 CC1(COC1)CS[13CH3] 62a_200025704644_100009817586 [0,1,0,1,0,0|2,0,0]=4 5874 B8R1.66 CC1(CSC1)CO[13CH3] 34a_100000732658_200025704644 [0,1,0,1,0,0|2,0,0]=4 5875 B8R1.66 CC1(CSC1)CO[13CH3] 7a_100000732658_200025704644 [0,1,0,1,0,0|2,0,0]=4 5876 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,1,0,1,0,0|1,0,0]=3 5877 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,1,0,1,0,0|1,0,0]=3 5878 B8R1.66 CCNC1(COC1)C 2230a_100000732644_100000210202 [0,1,0,1,0,0|2,0,0]=4 5879 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,1,0,1,0,0|1,0,0]=3 5880 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,1,0,1,0,0|1,0,0]=3 5881 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,1,0,1,0,0|2,0,0]=4 5882 B8R1.66 CNCC1(CCC1)C 2230a_100000706607_200000210301 [0,1,0,1,0,0|1,0,0]=3 5883 B8R1.66 CNCC1(CCC1)C 2230a_106832991635_100000726658 [0,1,0,1,0,0|1,0,0]=3 5884 B8R1.66 CNCC1(CCC1)C 34a_100102657272_100000726658 [0,1,0,1,0,0|1,0,0]=3 5885 B8R1.66 CNCC1(CCC1)C 7a_106832991635_100000726658 [0,1,0,1,0,0|1,0,0]=3 5886 B8R1.66 CNCC1(CCC1)O 2230a_100000752638_200000210301 [0,1,0,1,0,0|0,0,0]=2 5887 B8R1.66 CNCC1(COC1)C 2230a_100020631278_200000210301 [0,1,0,1,0,0|2,0,0]=4 5888 B8R1.66 CNCC1(COC1)C 2230a_106832991635_100000066812 [0,1,0,1,0,0|2,0,0]=4 5889 B8R1.66 CNCC1(COC1)C 269862a_106832991636_100000050806 [0,1,0,1,0,0|2,0,0]=4 5890 B8R1.66 CNCC1(COC1)C 34a_100102657272_100009817586 [0,1,0,1,0,0|2,0,0]=4 5891 B8R1.66 CNCC1(COC1)C 7a_106832991635_100009817586 [0,1,0,1,0,0|2,0,0]=4 5892 B8R1.66 CNCC1(COC1)O 2230a_100010264505_200000210301 [0,1,0,1,0,0|1,0,0]=3 5893 B8R1.66 COCC1(CCC1)C 34a_100138415774_100000726658 [0,1,0,1,0,0|1,0,0]=3 5894 B8R1.66 COCC1(COC1)C 34a_100138415774_100009817586 [0,1,0,1,0,0|2,0,0]=4 5895 B8R1.66 COCC1(CSC1)C 34a_100000732658_200000210301 [0,1,0,1,0,0|2,0,0]=4 5896 B8R1.66 COCC1(CSC1)C 7a_100000732658_200000210301 [0,1,0,1,0,0|2,0,0]=4 5897 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,1,0,1,0,0|1,0,0]=3 5898 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,1,0,1,0,0|1,0,0]=3 5899 B8R1.66 CSCC1(COC1)C 62a_100009817586_200000210301 [0,1,0,1,0,0|2,0,0]=4 5900 B8R1.66 CSCC1(COC1)C 62a_200000210301_100009817586 [0,1,0,1,0,0|2,0,0]=4 5901 B8R1.66 [13CH3]NCC1(CCC1)O 2230a_100000752638_200025704644 [0,1,0,1,0,0|0,0,0]=2 5902 B8R1.66 [13CH3]NCC1(COC1)O 2230a_100010264505_200025704644 [0,1,0,1,0,0|1,0,0]=3 5903 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|0,0,2]=4 5904 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|0,0,2]=4 5905 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|0,0,1]=3 5906 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|1,0,1]=4 5907 B8R1.39 CNC(C)C1(CC1)C 269862a_106832991636_100000184723 [0,1,0,1,0,0|2,0,0]=4 5908 B8R1.39 CNC(C)C1(CC1)F 269862a_106832991636_100000052362 [0,1,0,1,0,0|2,0,0]=4 5909 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|1,0,1]=4 5910 B8R1.28 CC(C)(N[13CH3])C1CC1 2230a_100000695267_200025704644 [0,1,0,1,0,0|2,0,0]=4 5911 B8R1.28 CNC(C)(C)C1CC1 2230a_100000695267_200000210301 [0,1,0,1,0,0|2,0,0]=4 5912 B8R1.82 C#CC1(CC1)NCC 34a_100020639468_100000210202 [0,1,0,1,0,0|2,0,0]=4 5913 B8R1.82 CCC1(CO1)CNC 34a_100102657272_200000139556 [0,1,0,1,0,0|1,0,0]=3 5914 B8R1.82 CCC1(CO1)CNC 7a_106832991635_200000139556 [0,1,0,1,0,0|1,0,0]=3 5915 B8R1.82 CCC1(CO1)COC 34a_100138415774_200000139556 [0,1,0,1,0,0|1,0,0]=3 5916 B8R1.82 CCC1(CO1)CSC 62a_200000139556_200000210301 [0,1,0,1,0,0|1,0,0]=3 5917 B8R1.82 CCC1(CO1)CSC 62a_200000210301_200000139556 [0,1,0,1,0,0|1,0,0]=3 5918 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200000139556_200025704644 [0,1,0,1,0,0|1,0,0]=3 5919 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200025704644_200000139556 [0,1,0,1,0,0|1,0,0]=3 5920 B8R1.82 CCCC1(CC1)NC 2230a_100015185929_200000210301 [0,1,0,1,0,0|1,0,0]=3 5921 B8R1.82 CCCC1(CC1)N[13CH3] 2230a_100015185929_200025704644 [0,1,0,1,0,0|1,0,0]=3 5922 B8R1.82 CCNC1(CC1)C#N 2230a_100000756336_100000210202 [0,1,0,1,0,0|2,0,0]=4 5923 B8R1.82 CCNC1(CC1)C#N 34a_100000756336_100000210202 [0,1,0,1,0,0|2,0,0]=4 5924 B8R1.82 CCNC1(CC1)CC 2230a_100000732774_100000210202 [0,1,0,1,0,0|2,0,0]=4 5925 B8R1.82 CCNC1(CC1)CF 2230a_100000054953_100000210202 [0,1,0,1,0,0|2,0,0]=4 5926 B8R1.82 CCNC1(CC1)CF 34a_100000054953_100000210202 [0,1,0,1,0,0|2,0,0]=4 5927 B8R1.82 CCOC1(CC1)C#N 34a_100121572206_100009889376 [0,1,0,1,0,0|2,0,0]=4 5928 B8R1.82 CCSC1(CC1)C#N 62a_100000210202_100009889376 [0,1,0,1,0,0|2,0,0]=4 5929 B8R1.82 CCSC1(CC1)C#N 62a_100009889376_100000210202 [0,1,0,1,0,0|2,0,0]=4 5930 B8R1.82 CNCC1(CC1)C#N 2230a_100000725504_200000210301 [0,1,0,1,0,0|2,0,0]=4 5931 B8R1.82 CNCC1(CC1)C#N 2230a_106832991635_100000695377 [0,1,0,1,0,0|2,0,0]=4 5932 B8R1.82 CNCC1(CC1)C#N 34a_100102657272_100000695377 [0,1,0,1,0,0|2,0,0]=4 5933 B8R1.82 CNCC1(CC1)C#N 7a_106832991635_100000695377 [0,1,0,1,0,0|2,0,0]=4 5934 B8R1.82 CNCC1(CC1)CO 2230a_100000757901_200000210301 [0,1,0,1,0,0|1,0,0]=3 5935 B8R1.82 COCC1(CC1)C#N 34a_100000688837_200000210301 [0,1,0,1,0,0|2,0,0]=4 5936 B8R1.82 COCC1(CC1)C#N 34a_100138415774_100000695377 [0,1,0,1,0,0|2,0,0]=4 5937 B8R1.82 COCC1(CC1)C#N 7a_100000688837_200000210301 [0,1,0,1,0,0|2,0,0]=4 5938 B8R1.82 CSCC1(CC1)C#N 62a_100000695377_200000210301 [0,1,0,1,0,0|2,0,0]=4 5939 B8R1.82 CSCC1(CC1)C#N 62a_200000210301_100000695377 [0,1,0,1,0,0|2,0,0]=4 5940 B8R1.82 [13CH3]NCC1(CC1)C#N 2230a_100000725504_200025704644 [0,1,0,1,0,0|2,0,0]=4 5941 B8R1.82 [13CH3]NCC1(CC1)CO 2230a_100000757901_200025704644 [0,1,0,1,0,0|1,0,0]=3 5942 B8R1.82 [13CH3]OCC1(CC1)C#N 34a_100000688837_200025704644 [0,1,0,1,0,0|2,0,0]=4 5943 B8R1.82 [13CH3]OCC1(CC1)C#N 7a_100000688837_200025704644 [0,1,0,1,0,0|2,0,0]=4 5944 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_100000695377_200025704644 [0,1,0,1,0,0|2,0,0]=4 5945 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_200025704644_100000695377 [0,1,0,1,0,0|2,0,0]=4 5946 B8R1.33 CCC(NC)C1CC1 2230a_100025715781_200000210301 [0,1,0,1,0,0|1,0,0]=3 5947 B8R1.33 CCC(NC)C1CC1 269862a_106832991636_100000759681 [0,1,0,1,0,0|1,0,0]=3 5948 B8R1.33 CCC(NC)C1CC1 34a_100025715781_200000210301 [0,1,0,1,0,0|1,0,0]=3 5949 B8R1.33 CCC(N[13CH3])C1CC1 2230a_100025715781_200025704644 [0,1,0,1,0,0|1,0,0]=3 5950 B8R1.33 CCC(N[13CH3])C1CC1 34a_100025715781_200025704644 [0,1,0,1,0,0|1,0,0]=3 5951 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [0,1,0,1,0,0|0,0,0]=2 5952 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [0,1,0,1,0,0|0,0,0]=2 5953 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [0,1,0,1,0,0|0,0,0]=2 5954 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [0,1,0,1,0,0|0,0,0]=2 5955 B8R1.33 CCN(CC)C1CC1 2230a_100000738653_100000210202 [0,1,0,1,0,0|2,0,0]=4 5956 B8R1.33 CCN(CC)C1CC1 269956a_100000042499_100000211595 [0,1,0,1,0,0|2,0,0]=4 5957 B8R1.33 CCN(CC)C1CC1 269982a_100000724800_100000211595 [0,1,0,1,0,0|2,0,0]=4 5958 B8R1.33 CCN(CC)C1CC1 269982a_100000738653_100000204670 [0,1,0,1,0,0|2,0,0]=4 5959 B8R1.33 CCN(CF)C1CC1 269982a_100000738653_100015361967 [0,1,0,1,0,0|2,0,0]=4 5960 B8R1.33 CN[C@@H](CO)C1CC1 2230a_100020623730_200000210301 [0,1,0,1,0,0|1,0,0]=3 5961 B8R1.33 CN[C@@H](CO)C1CC1 34a_100020623730_200000210301 [0,1,0,1,0,0|1,0,0]=3 5962 B8R1.33 COC(CN)C1CC1 34a_100000751198_200000210301 [0,1,0,1,0,0|1,0,0]=3 5963 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 2230a_100020623730_200025704644 [0,1,0,1,0,0|1,0,0]=3 5964 B8R1.33 [13CH3]N[C@@H](CO)C1CC1 34a_100020623730_200025704644 [0,1,0,1,0,0|1,0,0]=3 5965 B8R1.33 [13CH3]OC(CN)C1CC1 34a_100000751198_200025704644 [0,1,0,1,0,0|1,0,0]=3 5966 B8R1.60 CCC1(COC1)OC 7a_100010739965_200000210301 [0,1,0,1,0,0|1,0,0]=3 5967 B8R1.60 CCC1(COC1)O[13CH3] 7a_100010739965_200025704644 [0,1,0,1,0,0|1,0,0]=3 5968 B8R1.60 CNC1(CCC1)C#N 34a_100000739455_200000210301 [0,1,0,1,0,0|2,0,0]=4 5969 B8R1.60 CNC1(CCC1)CO 2230a_100016993734_200000210301 [0,1,0,1,0,0|1,0,0]=3 5970 B8R1.60 CNC1(COC1)CO 2230a_100010290435_200000210301 [0,1,0,1,0,0|2,0,0]=4 5971 B8R1.60 [13CH3]NC1(CCC1)C#N 34a_100000739455_200025704644 [0,1,0,1,0,0|2,0,0]=4 5972 B8R1.60 [13CH3]NC1(CCC1)CO 2230a_100016993734_200025704644 [0,1,0,1,0,0|1,0,0]=3 5973 B8R1.60 [13CH3]NC1(COC1)CO 2230a_100010290435_200025704644 [0,1,0,1,0,0|2,0,0]=4 5974 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,2,0,0|2,0,0]=4 5975 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,2,0,0|2,0,0]=4 5976 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,2,0,0|2,0,0]=4 5977 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,2,0,0|2,0,0]=4 5978 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,2,0,0|2,0,0]=4 5979 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,2,0,0|2,0,0]=4 5980 B8R2.1 C1CN(C1)C2CC2 269982a_100000754969_100000211595 [0,0,0,2,0,0|2,0,0]=4 5981 B8R2.53 CN1CC2(C1)CC2 2230a_100015196877_200000210301 [0,0,0,2,0,0|2,0,0]=4 5982 B8R2.53 CN1CC2(C1)CC2 269982a_100015196877_200000210301 [0,0,0,2,0,0|2,0,0]=4 5983 B8R2.53 CN1CC2(C1)CC2 34a_100015196877_200000210301 [0,0,0,2,0,0|2,0,0]=4 5984 B8R2.53 [13CH3]N1CC2(C1)CC2 2230a_100015196877_200025704644 [0,0,0,2,0,0|2,0,0]=4 5985 B8R2.53 [13CH3]N1CC2(C1)CC2 269982a_100015196877_200025704644 [0,0,0,2,0,0|2,0,0]=4 5986 B8R2.53 [13CH3]N1CC2(C1)CC2 34a_100015196877_200025704644 [0,0,0,2,0,0|2,0,0]=4