0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|1,0,2]=3 44 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|1,0,2]=3 45 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|1,0,2]=3 46 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|1,0,2]=3 55 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|3,0,0]=3 65 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|1,0,2]=3 70 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|2,0,1]=3 76 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|2,0,1]=3 77 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|1,0,2]=3 78 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|1,0,2]=3 79 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,0,0,0,0,0|2,0,2]=4 80 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,0,0,0,0,0|2,0,2]=4 81 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|2,0,0]=2 87 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|1,0,1]=2 93 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|1,0,2]=3 96 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|1,0,2]=3 97 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 129 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,2]=4 131 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,2]=4 134 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,2]=4 137 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,2]=4 138 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,2]=4 139 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,1]=3 142 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,2]=4 144 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|0,0,3]=4 147 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,1]=3 148 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|1,0,2]=4 153 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|1,0,2]=4 154 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|1,0,2]=4 155 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|1,0,2]=4 156 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|0,0,2]=3 157 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 160 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|1,0,2]=4 161 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|1,0,2]=4 162 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|0,0,2]=3 185 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|1,0,2]=4 241 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,1,0,0,0,0|1,0,2]=4 248 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|1,0,1]=3 257 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,1,0,0,0,0|0,0,2]=3 258 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,2]=4 263 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|1,0,2]=4 270 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,1,0,0,0,0|1,0,2]=4 276 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,2]=4 279 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|1,0,1]=3 282 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|1,0,0]=2 283 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,1,0,0,0,0|0,0,3]=4 301 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|1,0,2]=4 303 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|1,0,2]=4 305 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|1,0,1]=3 329 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|1,0,2]=4 337 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|1,0,2]=4 338 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|1,0,2]=4 349 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|1,0,2]=4 350 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|1,0,2]=4 356 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|1,0,2]=4 359 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|1,0,2]=4 360 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|1,0,1]=3 363 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|1,0,1]=3 364 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|1,0,2]=4 365 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|1,0,2]=4 366 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|1,0,2]=4 367 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|1,0,2]=4 368 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,1,0,0,0,0|1,0,2]=4 371 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,0,2]=4 376 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|1,0,2]=4 377 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,2]=4 378 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,2]=4 379 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,2]=4 380 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,0,2]=4 381 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,0,2]=4 382 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|1,0,0]=2 392 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|1,0,0]=2 393 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|1,0,0]=2 394 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|3,0,0]=4 395 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|1,0,2]=4 397 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|1,0,2]=4 398 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|1,0,0]=2 399 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|1,0,0]=2 400 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|1,0,2]=4 403 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 404 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 405 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|1,0,2]=4 406 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|1,0,2]=4 408 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|1,0,2]=4 409 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|0,0,2]=3 410 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|1,0,2]=4 412 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|1,0,2]=4 413 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,0,2]=4 414 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|1,0,2]=4 415 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|0,0,3]=4 416 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|1,0,2]=4 417 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|1,0,2]=4 418 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|1,0,2]=4 419 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|1,0,2]=4 420 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|0,0,3]=4 421 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|0,0,3]=4 422 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|1,0,2]=4 427 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|1,0,2]=4 428 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|1,0,2]=4 429 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|1,0,2]=4 430 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,1,0,0,0,0|1,0,1]=3 432 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,0]=2 433 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,0]=2 434 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,2]=4 437 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,2]=4 438 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,2]=4 439 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,2]=4 440 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|1,0,2]=4 441 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|1,0,2]=4 442 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|1,0,2]=4 443 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,2]=4 444 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,0,2]=4 450 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,0,2]=4 451 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|1,0,2]=4 452 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|1,0,2]=4 453 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,0,2]=4 454 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,1,0,0,0,0|1,0,1]=3 459 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|1,0,2]=4 460 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|1,0,2]=4 461 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,0,2]=4 462 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,1,0,0,0,0|1,0,1]=3 463 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|1,0,2]=4 464 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|1,0,2]=4 465 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|1,0,2]=4 466 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|1,0,2]=4 467 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,0,0,1,0,0|2,0,1]=4 468 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,1,0,0|2,0,0]=3 469 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,1,0,0|0,0,2]=3 470 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,1,0,0|0,1,1]=3 471 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|2,0,0]=3 472 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,1,0,0|2,0,0]=3 473 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,1,0,0|2,0,0]=3 474 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,0,0,1,0,0|3,0,0]=4 475 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,0,0,1,0,0|1,0,2]=4 476 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,0,0,1,0,0|1,1,1]=4 477 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,1,0,0|3,0,0]=4 478 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,1,0,0|3,0,0]=4 479 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,1,0,0|2,0,1]=4 480 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,0,0,1,0,0|3,0,0]=4 481 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,0,0,1,0,0|2,0,1]=4 482 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,0,0,1,0,0|1,0,2]=4 483 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,0,0,1,0,0|1,1,1]=4 484 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,1,0,0|2,1,0]=4 485 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,1,0,0|3,0,0]=4 486 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|1,0,2]=4 487 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|2,0,1]=4 488 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|1,0,2]=4 489 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|2,0,1]=4 490 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|1,0,0]=3 491 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|1,0,0]=3 492 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,1]=4 500 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|0,0,1]=3 502 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 507 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 508 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|0,0,2]=4 518 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|0,0,2]=4 529 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,1]=3 532 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,1]=3 533 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,1]=3 534 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,1,1]=4 535 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,1,1]=4 536 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,1,1]=4 537 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,1,1]=4 538 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,1]=3 542 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,1,1]=4 543 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,1,1]=4 544 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,1,1]=4 545 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,1,1]=4 546 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|0,0,2]=4 547 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,2]=4 548 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,0,2]=4 549 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,0,2]=4 550 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,1]=4 551 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,0,1]=3 555 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|0,0,2]=4 556 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,2,0,0,0,0|0,0,2]=4 559 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|0,0,2]=4 567 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|1,0,1]=4 575 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|0,0,2]=4 577 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|0,0,2]=4 578 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|0,0,2]=4 579 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|0,0,1]=3 595 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|0,0,1]=3 596 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|0,0,1]=3 597 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|0,0,2]=4 606 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,2,0,0,0,0|1,0,0]=3 607 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,2,0,0,0,0|0,0,0]=2 610 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,2,0,0,0,0|1,0,1]=4 615 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,2,0,0,0,0|0,0,2]=4 616 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,2,0,0,0,0|0,0,2]=4 617 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,2,0,0,0,0|0,0,2]=4 618 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,2,0,0,0,0|0,0,2]=4 619 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,2,0,0,0,0|0,0,0]=2 623 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 626 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,2,0,0,0,0|0,0,2]=4 637 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|0,0,2]=4 638 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|0,0,2]=4 640 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|0,0,2]=4 641 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|0,0,2]=4 642 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|0,0,2]=4 647 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|0,0,2]=4 648 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|0,0,2]=4 649 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|0,0,2]=4 650 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|0,0,2]=4 657 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|0,0,2]=4 658 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,2,0,0,0,0|0,0,2]=4 659 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,2,0,0,0,0|0,0,2]=4 660 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|0,0,2]=4 661 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 664 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,2,0,0,0,0|0,0,2]=4 667 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,2,0,0,0,0|0,0,2]=4 668 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|0,0,2]=4 674 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,2,0,0,0,0|0,0,2]=4 681 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,2,0,0,0,0|0,0,2]=4 682 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,2,0,0,0,0|0,0,2]=4 683 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|0,0,2]=4 690 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|0,0,2]=4 698 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|0,0,2]=4 699 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|0,0,2]=4 710 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|1,0,1]=4 716 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,2,0,0,0,0|2,0,0]=4 719 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|0,0,2]=4 721 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|0,0,2]=4 722 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|0,0,2]=4 723 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|1,0,1]=4 724 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|1,0,1]=4 727 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|1,0,1]=4 730 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|0,0,2]=4 731 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|0,0,0]=2 735 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,2,0,0,0,0|1,0,0]=3 738 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,2,0,0,0,0|2,0,0]=4 740 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|0,0,2]=4 742 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|0,0,2]=4 743 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|0,0,2]=4 744 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,2,0,0,0,0|2,0,0]=4 747 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 749 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,0,1]=4 753 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,0,1]=4 754 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,0,1]=4 755 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|1,0,1]=4 766 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|1,0,1]=4 769 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,2,0,0,0,0|2,0,0]=4 772 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,2,0,0,0,0|2,0,0]=4 774 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,2,0,0,0,0|2,0,0]=4 778 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|1,0,0]=3 782 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,0]=3 783 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,0,2]=4 787 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,2,0,0,0,0|2,0,0]=4 793 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,0]=3 794 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 796 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,1]=4 800 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|1,0,1]=4 804 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|1,0,1]=4 810 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|1,0,1]=4 811 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|0,0,2]=4 812 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|0,0,2]=4 817 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|0,0,2]=4 818 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|0,0,2]=4 819 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|0,0,2]=4 820 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,2,0,0,0,0|1,0,0]=3 825 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,2,0,0,0,0|0,0,2]=4 826 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|1,0,0]=3 827 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|1,0,0]=3 828 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|1,0,0]=3 831 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|1,0,0]=3 832 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,2,0,0,0,0|0,0,2]=4 833 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,2,0,0,0,0|0,0,2]=4 834 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|1,0,0]=3 835 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|1,0,0]=3 836 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [0,2,0,0,0,0|1,0,1]=4 837 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [0,2,0,0,0,0|1,0,1]=4 838 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [0,2,0,0,0,0|1,0,1]=4 839 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [0,2,0,0,0,0|1,0,1]=4 840 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,2,0,0,0,0|0,0,2]=4 843 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,2,0,0,0,0|0,0,2]=4 846 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,2,0,0,0,0|0,0,2]=4 848 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,2,0,0,0,0|0,0,2]=4 849 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,2,0,0,0,0|1,0,1]=4 851 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,2,0,0,0,0|1,0,1]=4 854 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,2,0,0,0,0|1,0,1]=4 856 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 857 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 858 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,2,0,0,0,0|1,0,1]=4 859 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|1,0,0]=3 861 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|1,0,0]=3 862 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|1,0,0]=3 863 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|1,0,0]=3 864 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,2,0,0,0,0|1,0,1]=4 866 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|1,0,1]=4 867 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|1,0,1]=4 869 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 870 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,2,0,0,0,0|1,0,1]=4 871 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,2,0,0,0,0|1,0,1]=4 872 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,2,0,0,0,0|2,0,0]=4 874 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|1,0,1]=4 876 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|1,0,0]=3 877 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|0,0,2]=4 878 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|1,0,1]=4 879 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|1,0,1]=4 880 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,1,0,1,0,0|1,0,1]=4 881 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,1,0,0|2,0,0]=4 882 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,1,0,0|0,1,1]=4 884 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,1,0,0|0,1,1]=4 885 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,1,0,0|0,1,1]=4 888 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,1,0,0|0,1,1]=4 889 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,1,0,0|1,0,0]=3 890 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,1,0,0|0,1,0]=3 891 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,1,0,0|0,1,0]=3 893 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|0,1,0]=3 894 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,1,0,0|0,1,0]=3 895 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,1,0,0|0,1,0]=3 896 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,1,0,0|1,0,0]=3 897 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,1,0,0|1,0,0]=3 899 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,1,0,0|0,1,0]=3 902 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,1,0,1,0,0|1,1,0]=4 904 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,1,0,1,0,0|1,1,0]=4 907 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,1,0,0|1,0,0]=3 910 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,1,0,1,0,0|0,1,1]=4 918 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,1,0,1,0,0|1,0,1]=4 922 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,1,0,1,0,0|1,0,1]=4 924 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [0,1,0,1,0,0|1,0,1]=4 925 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,1,0,1,0,0|2,0,0]=4 926 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,1,0,1,0,0|2,0,0]=4 928 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [0,1,0,1,0,0|1,0,1]=4 929 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,1,0,1,0,0|2,0,0]=4 930 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,1,0,0|0,1,1]=4 931 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,1,0,0|2,0,0]=4 932 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,1,0,0|2,0,0]=4 933 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,1,0,0|2,0,0]=4 934 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,1,0,0|2,0,0]=4 935 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,1,0,1,0,0|2,0,0]=4 936 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,1,0,1,0,0|2,0,0]=4 938 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,1,0,1,0,0|0,1,1]=4