0 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.2 CCNCC 2230a_100015525214_100000210202 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.2 CCOCC 34a_100121572206_100000210202 [0,0,0,0,0,0|1,0,1]=2 34 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,0,0,0,0,0|1,0,1]=2 35 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,0,0,0,0,0|1,1,1]=3 36 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,0,0,0,0,0|1,1,1]=3 37 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,0,0,0,0,0|1,1,1]=3 38 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,0,0,0,0,0|2,0,2]=4 48 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,0,0,0,0,0|2,0,2]=4 49 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,0,0,0,0,0|2,0,2]=4 50 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,0,0,0,0,0|2,0,2]=4 51 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,0,0,0,0,0|2,0,2]=4 52 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,0,0,0,0,0|4,0,0]=4 53 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,0,0,0,0,0|4,0,0]=4 54 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,0,0,0,0,0|4,0,0]=4 55 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.2 COCCF 34a_100138415774_100011217306 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.2 COCCN 34a_100000210304_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.2 COCCO 34a_100138415774_100000211926 [0,0,0,0,0,0|2,0,2]=4 60 B4R0.2 COCSC 34a_100138415774_100011218213 [0,0,0,0,0,0|4,0,0]=4 61 B4R0.2 COCSC 62a_100000766300_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B4R0.2 COCSC 62a_200000210301_100000766300 [0,0,0,0,0,0|4,0,0]=4 63 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,0,0,0,0,0|2,0,0]=2 69 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,0,0,0,0,0|2,0,2]=4 73 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,0,0,0,0,0|4,0,0]=4 75 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,0,0,0,0,0|4,0,0]=4 77 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,0,0,0,0,0|2,1,1]=4 78 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,0,0,0,0,0|2,0,2]=4 80 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,0,0,0,0,0|2,0,2]=4 81 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,0,0,0,0,0|3,0,1]=4 82 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,0,0,0,0,0|2,0,0]=2 87 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,0,0,0,0,0|3,0,1]=4 88 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,0,0,0,0,0|3,0,1]=4 89 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,0,0,0,0,0|2,0,2]=4 90 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,0,0,0,0,0|2,0,2]=4 91 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|1,0,1]=3 92 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|1,0,1]=3 93 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|1,0,1]=3 95 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|1,0,1]=3 96 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|0,0,1]=2 97 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|0,0,1]=2 98 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|0,0,1]=2 99 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|0,1,1]=3 100 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|0,1,1]=3 101 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|0,1,1]=3 102 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|0,1,1]=3 103 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|1,1,1]=4 107 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|1,1,1]=4 108 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|1,1,1]=4 109 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|1,1,1]=4 110 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|1,0,2]=4 112 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|3,0,0]=4 124 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|3,0,0]=4 127 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 138 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 139 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|1,0,1]=3 143 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|3,0,0]=4 154 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|3,0,0]=4 155 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|1,1,1]=4 162 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|1,1,1]=4 163 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|1,0,0]=2 171 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|1,0,0]=2 172 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|1,0,0]=2 173 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 174 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 177 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 178 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 180 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,0]=2 182 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|1,1,1]=4 188 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|1,1,1]=4 189 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|2,0,0]=3 191 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|2,0,0]=3 192 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|2,0,0]=3 196 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|3,0,0]=4 199 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|3,0,0]=4 200 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|3,0,0]=4 201 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|3,0,0]=4 202 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|3,0,0]=4 203 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|3,0,0]=4 204 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|3,0,0]=4 205 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|3,0,0]=4 206 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|3,0,0]=4 208 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|3,0,0]=4 209 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|3,0,0]=4 210 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|3,0,0]=4 211 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|2,0,0]=3 213 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|2,0,0]=3 214 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|2,0,0]=3 215 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|3,0,0]=4 219 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|3,0,0]=4 221 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|3,0,0]=4 223 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|3,0,0]=4 224 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|3,0,0]=4 225 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|3,0,0]=4 227 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|2,0,0]=3 230 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|2,0,0]=3 231 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|3,0,0]=4 234 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|3,0,0]=4 235 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|3,0,0]=4 237 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|3,0,0]=4 239 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|3,0,0]=4 240 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|3,0,0]=4 243 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|3,0,0]=4 244 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|2,0,1]=4 246 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|2,0,1]=4 247 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|2,0,0]=3 255 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,1,0,0,0,0|2,0,1]=4 260 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,1,0,0,0,0|2,0,1]=4 265 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,1,0,0,0,0|2,0,1]=4 266 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,1,0,0,0,0|2,0,1]=4 267 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,1,0,0,0,0|2,0,1]=4 268 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,1,0,0,0,0|2,0,1]=4 269 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,1,0,0,0,0|2,0,1]=4 270 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,1,0,0,0,0|1,0,1]=3 272 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,1,0,0,0,0|1,0,2]=4 273 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,1,0,0,0,0|1,1,1]=4 274 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,1,0,0,0,0|2,0,0]=3 275 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,1,0,0,0,0|2,0,0]=3 276 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,1,0,0,0,0|2,0,0]=3 277 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,1,0,0,0,0|2,0,0]=3 278 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,1,0,0,0,0|2,0,0]=3 279 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,1,0,0,0,0|2,0,0]=3 280 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,1,0,0,0,0|2,0,0]=3 281 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,1,0,0,0,0|2,0,0]=3 282 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,1,0,0,0,0|2,0,0]=3 283 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,1,0,0,0,0|2,0,0]=3 284 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,1,0,0,0,0|2,0,0]=3 285 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,1,0,0,0,0|2,0,0]=3 286 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,1,0,0,0,0|2,0,0]=3 287 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,1,0,0,0,0|2,0,0]=3 288 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,1,0,0,0,0|2,0,0]=3 289 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,1,0,0,0,0|2,0,0]=3 290 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,1,0,0,0,0|2,0,0]=3 291 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,1,0,0,0,0|2,0,0]=3 292 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,1,0,0,0,0|2,0,0]=3 293 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,1,0,0,0,0|2,0,0]=3 297 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,1,0,0,0,0|1,0,0]=2 298 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,1,0,0,0,0|1,0,0]=2 299 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,1,0,0,0,0|2,0,0]=3 300 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,1,0,0,0,0|1,1,0]=3 301 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,1,0,0,0,0|1,1,0]=3 302 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,1,0,0,0,0|2,1,0]=4 303 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,1,0,0,0,0|2,1,0]=4 304 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,1,0,0,0,0|2,0,1]=4 305 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,1,0,0,0,0|2,0,1]=4 306 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,1,0,0,0,0|2,0,1]=4 307 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,1,0,0,0,0|2,0,1]=4 308 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,1,0,0,0,0|2,0,1]=4 309 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,1,0,0,0,0|2,0,1]=4 310 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,1,0,0,0,0|2,0,1]=4 311 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,1,0,0,0,0|2,0,1]=4 312 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,1,0,0,0,0|2,0,1]=4 313 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,1,0,0,0,0|2,0,1]=4 316 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,1,0,0,0,0|2,0,1]=4 317 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,1,0,0,0,0|2,0,1]=4 318 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,1,0,0,0,0|2,0,0]=3 319 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,1,0,0,0,0|2,0,0]=3 320 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,1,0,0,0,0|2,0,0]=3 321 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,1,0,0,0,0|2,0,0]=3 322 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,1,0,0,0,0|2,0,0]=3 323 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,1,0,0,0,0|2,0,0]=3 324 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,1,0,0,0,0|2,0,0]=3 325 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,1,0,0,0,0|2,0,1]=4 330 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,1,0,0,0,0|2,0,1]=4 331 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,1,0,0,0,0|2,0,1]=4 332 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,1,0,0,0,0|2,0,1]=4 333 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,1,0,0,0,0|2,0,1]=4 334 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,1,0,0,0,0|1,0,2]=4 335 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,1,0,0,0,0|1,0,2]=4 336 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,1,0,0,0,0|1,0,2]=4 337 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,1,0,0,0,0|1,0,2]=4 338 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,1,0,0,0,0|1,0,2]=4 339 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,1,0,0,0,0|1,1,1]=4 340 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,1,0,0,0,0|1,1,1]=4 341 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,1,0,0,0,0|1,1,1]=4 342 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,1,0,0,0,0|1,1,1]=4 343 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,1,0,0,0,0|2,0,1]=4 344 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,1,0,0,0,0|1,0,1]=3 345 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,1,0,0,0,0|1,0,1]=3 346 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,1,0,0,0,0|1,0,1]=3 347 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,1,0,0,0,0|1,1,1]=4 348 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,1,0,0,0,0|1,1,1]=4 349 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,1,0,0,0,0|1,1,1]=4 350 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,1,0,0,0,0|1,1,1]=4 351 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,1,0,0,0,0|2,0,1]=4 352 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,1,0,0,0,0|1,0,0]=2 353 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,1,0,0,0,0|2,0,1]=4 354 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,1,0,0,0,0|2,0,1]=4 355 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,1,0,0,0,0|1,0,2]=4 356 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,1,0,0,0,0|1,0,2]=4 357 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,1,0,0,0,0|1,0,2]=4 358 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,1,0,0,0,0|1,0,2]=4 359 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,1,0,0,0,0|1,1,1]=4 360 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,1,0,0,0,0|0,0,0]=1 361 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,1,0,0,0,0|1,0,1]=3 362 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,1,0,0,0,0|1,0,1]=3 363 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,1,0,0,0,0|1,0,1]=3 364 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,1,0,0,0,0|0,0,2]=3 365 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,1,0,0,0,0|0,1,1]=3 366 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,1,0,0,0,0|0,1,1]=3 367 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,1,0,0,0,0|0,1,1]=3 368 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,1,0,0,0,0|0,1,1]=3 369 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,1,0,0,0,0|0,1,1]=3 370 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,1,0,0,0,0|1,1,1]=4 371 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,1,0,0,0,0|1,1,1]=4 372 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,1,0,0,0,0|0,1,0]=2 373 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,1,0,0,0,0|0,1,0]=2 374 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,1,0,0,0,0|1,1,1]=4 375 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,1,0,0,0,0|1,1,1]=4 376 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,1,0,0,0,0|0,1,2]=4 377 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,1,0,0,0,0|0,1,2]=4 378 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,1,0,0,0,0|0,1,2]=4 379 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,1,0,0,0,0|0,1,2]=4 380 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,1,0,0,0,0|0,2,1]=4 381 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,1,0,0,0,0|0,2,1]=4 382 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,1,0,0,0,0|2,0,1]=4 383 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,1,0,0,0,0|2,0,1]=4 384 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,1,0,0,0,0|2,0,1]=4 385 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,1,0,0,0,0|2,0,1]=4 386 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,1,0,0,0,0|2,0,1]=4 387 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,1,0,0,0,0|2,0,1]=4 388 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,1,0,0,0,0|2,0,1]=4 389 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,1,0,0,0,0|1,0,2]=4 390 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,1,0,0,0,0|1,0,2]=4 391 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,1,0,0,0,0|1,0,2]=4 392 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,1,0,0,0,0|3,0,0]=4 394 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,1,0,0,0,0|3,0,0]=4 395 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,1,0,0,0,0|3,0,0]=4 396 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,1,0,0,0,0|3,0,0]=4 398 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,1,0,0,0,0|3,0,0]=4 399 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,1,0,0,0,0|3,0,0]=4 400 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,1,0,0,0,0|2,0,1]=4 401 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,1,0,0,0,0|2,0,1]=4 403 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,1,0,0,0,0|2,0,1]=4 404 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,1,0,0,0,0|1,0,2]=4 406 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,1,0,0,0,0|3,0,0]=4 407 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,1,0,0,0,0|3,0,0]=4 408 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,1,0,0,0,0|3,0,0]=4 409 B5R0.2 COCCON 34a_100000700252_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,1,0,0,0,0|3,0,0]=4 413 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,1,0,0,0,0|3,0,0]=4 414 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,1,0,0,0,0|3,0,0]=4 415 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,1,0,0,0,0|3,0,0]=4 416 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,1,0,0,0,0|3,0,0]=4 417 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,1,0,0,0,0|3,0,0]=4 418 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,1,0,0,0,0|1,1,1]=4 419 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,1,0,0,0,0|1,1,1]=4 420 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,1,0,0,0,0|2,0,1]=4 422 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,1,0,0,0,0|2,0,1]=4 423 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,1,0,0,0,0|2,0,1]=4 424 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,1,0,0,0,0|1,0,2]=4 425 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,1,0,0,0,0|1,0,2]=4 426 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,1,0,0,0,0|3,0,0]=4 427 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,1,0,0,0,0|3,0,0]=4 428 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,1,0,0,0,0|3,0,0]=4 429 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,1,0,0,0,0|3,0,0]=4 430 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,1,0,0,0,0|3,0,0]=4 431 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,1,0,0,0,0|3,0,0]=4 433 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,1,0,0,0,0|1,1,1]=4 434 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,1,0,0,0,0|1,1,1]=4 435 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,1,0,0,0,0|1,1,1]=4 436 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,1,0,0,0,0|1,1,1]=4 437 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,1,0,0,0,0|2,0,1]=4 438 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,1,0,0,0,0|1,1,1]=4 439 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,1,0,0,0,0|1,1,1]=4 440 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,1,0,0,0,0|1,0,1]=3 441 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,1,0,0,0,0|1,0,1]=3 442 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,1,0,0,0,0|1,1,0]=3 443 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,1,0,0,0,0|1,1,0]=3 444 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,1,0,0,0,0|2,0,1]=4 445 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,1,0,0,0,0|1,1,1]=4 446 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,1,0,0,0,0|1,1,1]=4 447 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,1,0,0,0,0|2,0,1]=4 448 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,1,0,0,0,0|2,0,1]=4 449 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,1,0,0,0,0|2,0,1]=4 450 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,1,0,0,0,0|2,0,1]=4 451 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,1,0,0,0,0|2,0,1]=4 455 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,1,0,0,0,0|2,0,1]=4 456 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,1,0,0,0,0|2,0,1]=4 457 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,1,0,0,0,0|2,0,1]=4 458 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,1,0,0,0,0|1,0,2]=4 459 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,1,0,0,0,0|1,0,2]=4 460 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,1,0,0,0,0|1,1,1]=4 461 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,1,0,0,0,0|1,1,1]=4 462 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|2,0,1]=4 463 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|2,0,0]=3 464 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|3,0,0]=4 465 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|3,0,0]=4 466 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|3,0,0]=4 467 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|3,0,0]=4 468 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|3,0,0]=4 471 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|2,0,1]=4 472 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|2,0,1]=4 473 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|1,0,2]=4 474 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|3,0,0]=4 475 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|3,0,0]=4 476 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|3,0,0]=4 477 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|3,0,0]=4 478 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|3,0,0]=4 480 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|3,0,0]=4 481 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|3,0,0]=4 482 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|3,0,0]=4 484 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|3,0,0]=4 488 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|3,0,0]=4 489 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|3,0,0]=4 490 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|2,0,1]=4 491 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|2,0,1]=4 492 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|2,0,1]=4 493 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|2,0,1]=4 494 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|2,0,1]=4 495 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|2,0,1]=4 496 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|2,0,1]=4 497 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|2,0,1]=4 498 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|2,0,1]=4 499 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|3,0,0]=4 500 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|3,0,0]=4 501 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|3,0,0]=4 502 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|3,0,0]=4 503 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|3,0,0]=4 504 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|3,0,0]=4 505 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|3,0,0]=4 506 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|3,0,0]=4 507 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 508 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,1]=4 509 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 510 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 511 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,1]=4 512 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 513 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|0,0,1]=3 514 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|0,0,1]=3 515 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|0,1,1]=4 516 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|0,1,1]=4 517 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|0,1,1]=4 518 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|0,1,1]=4 519 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,1,0,0,0,0|0,0,2]=4 520 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,1,0,0,0,0|0,0,2]=4 521 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,1,0,0,0,0|0,0,2]=4 522 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,1,0,0,0,0|0,0,2]=4 523 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|1,0,0]=3 524 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|1,0,0]=3 525 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,1,0,0,0,0|1,0,1]=4 526 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,1,0,0,0,0|1,0,1]=4 527 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,1,0,0,0,0|0,0,1]=3 528 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,1,0,0,0,0|0,1,1]=4 529 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,1,0,0,0,0|0,1,1]=4 530 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|0,0,0]=2 531 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|0,0,0]=2 532 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|0,0,0]=2 533 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,1,0,0,0,0|1,0,1]=4 534 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,1,0,0,0,0|1,0,1]=4 535 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,1,0,0,0,0|1,0,1]=4 536 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,1,0,0,0,0|1,0,1]=4 537 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,1,0,0,0,0|1,0,1]=4 538 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,1,0,0,0,0|1,0,1]=4 539 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,1,0,0,0,0|1,0,0]=3 540 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 541 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 542 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,1,0,0,0,0|1,0,0]=3 543 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,1,0,0,0,0|1,0,1]=4 544 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,1,0,0,0,0|1,0,1]=4 545 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,1,0,0,0,0|1,0,1]=4 546 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,1,0,0,0,0|1,0,1]=4 547 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,1,0,0,0,0|1,0,1]=4 548 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,1,0,0,0,0|0,0,1]=3 549 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,1,0,0,0,0|0,0,1]=3 550 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,1,0,0,0,0|0,1,1]=4 551 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,1,0,0,0,0|0,1,1]=4 552 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,2,0,0,0,0|2,0,0]=4 555 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|2,0,0]=4 556 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 558 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|2,0,0]=4 563 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|1,0,0]=3 564 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|2,0,0]=4 565 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|2,0,0]=4 566 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|2,0,0]=4 568 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|2,0,0]=4 569 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|2,0,0]=4 570 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|2,0,0]=4 571 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|2,0,0]=4 572 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|1,0,1]=4 574 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|1,1,0]=4 575 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,2,0,0,0,0|2,0,0]=4 576 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,2,0,0,0,0|2,0,0]=4 577 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,2,0,0,0,0|2,0,0]=4 578 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,2,0,0,0,0|2,0,0]=4 579 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,2,0,0,0,0|2,0,0]=4 581 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|2,0,0]=4 585 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,2,0,0,0,0|2,0,0]=4 587 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,2,0,0,0,0|2,0,0]=4 588 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,2,0,0,0,0|2,0,0]=4 589 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|2,0,0]=4 590 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|2,0,0]=4 591 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|2,0,0]=4 592 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|2,0,0]=4 593 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 594 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 595 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|1,0,1]=4 596 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,2,0,0,0,0|1,0,1]=4 598 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 599 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,2,0,0,0,0|1,0,1]=4 600 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|1,0,1]=4 605 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|1,0,1]=4 606 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|2,0,0]=4 607 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|2,0,0]=4 608 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|2,0,0]=4 609 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|2,0,0]=4 610 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|2,0,0]=4 611 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|2,0,0]=4 615 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|2,0,0]=4 616 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|2,0,0]=4 617 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|2,0,0]=4 618 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|2,0,0]=4 619 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|2,0,0]=4 622 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|1,0,0]=3 624 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|1,0,0]=3 625 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 634 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 638 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 641 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 642 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 651 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|2,0,0]=4 652 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|2,0,0]=4 653 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|2,0,0]=4 654 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|2,0,0]=4 655 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|2,0,0]=4 656 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|2,0,0]=4 657 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|2,0,0]=4 659 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|2,0,0]=4 660 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|2,0,0]=4 661 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|2,0,0]=4 662 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|2,0,0]=4 663 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|2,0,0]=4 664 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|2,0,0]=4 665 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|2,0,0]=4 666 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|2,0,0]=4 667 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|2,0,0]=4 668 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|2,0,0]=4 669 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|2,0,0]=4 670 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|2,0,0]=4 671 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|2,0,0]=4 672 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|2,0,0]=4 674 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|2,0,0]=4 676 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|2,0,0]=4 677 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|2,0,0]=4 678 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|2,0,0]=4 679 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|2,0,0]=4 680 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|2,0,0]=4 681 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|2,0,0]=4 682 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|2,0,0]=4 683 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|2,0,0]=4 684 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|2,0,0]=4 685 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|2,0,0]=4 686 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|2,0,0]=4 687 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|2,0,0]=4 688 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|1,0,1]=4 692 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|1,0,1]=4 693 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|1,0,1]=4 694 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|1,0,1]=4 695 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|1,0,0]=3 700 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|2,0,0]=4 703 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|2,0,0]=4 704 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|2,0,0]=4 706 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|2,0,0]=4 713 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|2,0,0]=4 714 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|2,0,0]=4 715 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|2,0,0]=4 716 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|2,0,0]=4 717 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|2,0,0]=4 718 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|2,0,0]=4 719 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|1,0,0]=3 721 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|2,0,0]=4 722 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|1,0,1]=4 724 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|2,0,0]=4 726 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|2,0,0]=4 727 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|2,0,0]=4 728 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|2,0,0]=4 729 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|2,0,0]=4 730 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|2,0,0]=4 731 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|2,0,0]=4 732 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|2,0,0]=4 733 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|2,0,0]=4 744 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|2,0,0]=4 745 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|2,0,0]=4 748 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|2,0,0]=4 749 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 751 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|2,0,0]=4 752 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|2,0,0]=4 754 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|2,0,0]=4 755 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|2,0,0]=4 756 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|2,0,0]=4 757 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|2,0,0]=4 759 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|2,0,0]=4 771 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|2,0,0]=4 772 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|2,0,0]=4 773 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|2,0,0]=4 777 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|2,0,0]=4 779 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|2,0,0]=4 785 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|2,0,0]=4 786 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|2,0,0]=4 787 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,2,0,0,0,0|1,0,1]=4 788 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,2,0,0,0,0|1,0,1]=4 789 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,2,0,0,0,0|1,0,1]=4 790 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|1,0,1]=4 791 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|1,0,1]=4 792 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|1,0,1]=4 793 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|1,0,1]=4 794 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,2,0,0,0,0|1,0,1]=4 795 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,2,0,0,0,0|1,0,1]=4 796 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|1,0,1]=4 797 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,2,0,0,0,0|2,0,0]=4 798 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|2,0,0]=4 799 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|2,0,0]=4 800 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 801 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,2,0,0,0,0|2,0,0]=4 802 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 803 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|2,0,0]=4 804 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|2,0,0]=4 805 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|2,0,0]=4 806 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,2,0,0,0,0|2,0,0]=4 807 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,2,0,0,0,0|2,0,0]=4 808 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,2,0,0,0,0|2,0,0]=4 809 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,2,0,0,0,0|2,0,0]=4 810 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,2,0,0,0,0|2,0,0]=4 811 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,2,0,0,0,0|1,0,0]=3 812 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,2,0,0,0,0|1,0,0]=3 813 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,2,0,0,0,0|1,0,1]=4 814 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,2,0,0,0,0|1,1,0]=4 815 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,2,0,0,0,0|1,1,0]=4 816 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,2,0,0,0,0|2,0,0]=4 817 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,2,0,0,0,0|1,0,0]=3 818 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,2,0,0,0,0|2,0,0]=4 820 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,2,0,0,0,0|1,1,0]=4 821 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,2,0,0,0,0|1,1,0]=4 822 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|1,0,1]=4 823 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|1,0,1]=4 824 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|1,0,1]=4 825 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,2,0,0,0,0|2,0,0]=4 826 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,2,0,0,0,0|2,0,0]=4 827 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,2,0,0,0,0|2,0,0]=4 828 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,2,0,0,0,0|2,0,0]=4 829 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,2,0,0,0,0|2,0,0]=4 830 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|1,0,1]=4 832 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|1,0,1]=4 833 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|1,0,1]=4 834 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,2,0,0,0,0|2,0,0]=4 836 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,2,0,0,0,0|2,0,0]=4 837 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|1,0,0]=3 838 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|1,0,0]=3 839 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,2,0,0,0,0|1,1,0]=4 840 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,2,0,0,0,0|1,1,0]=4 841 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|1,0,1]=4 842 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|2,0,0]=4 843 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|2,0,0]=4 844 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|2,0,0]=4 845 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|2,0,0]=4 846 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|1,0,1]=4 847 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,2,0,0,0,0|1,0,1]=4 848 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,2,0,0,0,0|1,0,1]=4 849 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|1,0,0]=3 850 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|1,0,0]=3 851 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|1,0,0]=3 852 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|1,0,0]=3 853 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|1,0,0]=3 854 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|1,0,0]=3 855 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|1,0,0]=3 856 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|1,0,1]=4 857 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|1,0,1]=4 858 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 859 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 860 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 861 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|1,0,0]=3 862 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|1,0,0]=3 863 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|1,0,0]=3 864 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|0,0,0]=2 865 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|0,0,0]=2 866 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|1,0,1]=4 867 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|1,0,1]=4 868 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|1,0,0]=3 869 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|1,0,0]=3 870 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|0,0,0]=2 871 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 872 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|1,0,1]=4 873 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|1,0,1]=4 874 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|0,0,2]=4 875 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,2,0,0,0,0|0,1,1]=4 876 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,2,0,0,0,0|0,1,1]=4 877 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|0,1,0]=3 878 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|0,1,0]=3 879 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|1,0,1]=4 880 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|1,0,1]=4 881 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|1,0,1]=4 882 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|1,0,1]=4 883 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,2,0,0,0,0|2,0,0]=4 884 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,2,0,0,0,0|2,0,0]=4 886 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|1,0,0]=3 887 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|1,0,0]=3 888 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|1,0,0]=3 889 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|1,0,0]=3 890 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|1,0,0]=3 891 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|1,0,0]=3 892 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|1,0,0]=3 893 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 894 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 895 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 896 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|1,0,0]=3 897 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|1,0,1]=4 898 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|1,0,1]=4 899 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|1,0,0]=3 900 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|1,0,0]=3 902 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|1,0,0]=3 903 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|0,0,0]=2 904 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|0,0,0]=2 905 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|0,0,0]=2 906 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|0,0,0]=2 907 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|0,0,0]=2 908 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|1,0,1]=4 909 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|1,0,1]=4 910 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|1,0,1]=4 911 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|1,0,1]=4 912 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|0,0,2]=4 913 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,2,0,0,0,0|1,0,1]=4 914 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,2,0,0,0,0|1,0,1]=4 915 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,2,0,0,0,0|1,0,1]=4 916 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 918 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|0,0,2]=4 919 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,2,0,0,0,0|0,0,1]=3 920 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|0,1,0]=3 921 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|0,1,0]=3 922 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|0,1,0]=3 923 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|0,1,0]=3 924 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|0,1,0]=3 925 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|0,1,0]=3 926 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,2,0,0,0,0|0,1,1]=4 927 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 928 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|2,0,0]=4 929 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|2,0,0]=4 930 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 931 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|1,0,0]=3 932 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|1,0,0]=3 933 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|1,0,0]=3 934 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|1,0,0]=3 935 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|0,0,0]=2 936 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,2,0,0,0,0|1,0,1]=4 937 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,2,0,0,0,0|1,0,1]=4 938 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,0]=3 939 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|1,0,1]=4 940 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|1,0,1]=4 941 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|2,0,0]=4 942 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|2,0,0]=4 943 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|1,0,0]=3 944 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|1,0,0]=3 945 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|1,0,0]=3 946 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|1,0,0]=3 947 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 948 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|1,0,0]=3 949 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 950 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|1,0,0]=3 951 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|0,0,0]=2 952 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|0,0,2]=4 953 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|2,0,0]=4 954 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|2,0,0]=4 955 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|1,0,0]=3 956 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|1,0,0]=3 957 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|1,0,0]=3 958 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|1,0,0]=3 959 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|1,0,0]=3 960 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|1,0,0]=3 961 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|1,0,0]=3 962 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|0,0,0]=2 963 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|0,0,0]=2 964 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,2,0,0,0,0|0,1,1]=4 965 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,2,0,0,0,0|0,1,1]=4 966 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,2,0,0,0,0|0,1,1]=4 967 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|1,0,1]=4 968 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.4 FCOCC(F)F 34a_100000743014_100015361967 [0,2,0,0,0,0|1,0,1]=4 970 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,1,0]=4 971 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,1,0]=4 972 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|2,0,0]=4 973 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,1,0]=4 974 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,1,0]=4 975 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|1,0,1]=4 976 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,2,0,0,0,0|1,0,1]=4 977 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,0]=3 978 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 979 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 980 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|1,0,0]=3 981 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|1,0,0]=3 982 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,2,0,0,0,0|1,0,1]=4 983 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,2,0,0,0,0|1,0,1]=4 984 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|2,0,0]=4 985 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 986 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|1,0,1]=4 987 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|1,0,1]=4 988 B6R0.5 CCOC(F)(F)F 34a_100121572206_200103152311 [0,2,0,0,0,0|1,0,1]=4 989 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,2,0,0,0,0|1,0,1]=4 990 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,2,0,0,0,0|1,0,1]=4 991 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,2,0,0,0,0|1,0,1]=4 992 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,2,0,0,0,0|1,0,1]=4 993 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [0,2,0,0,0,0|1,0,1]=4 994 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [0,2,0,0,0,0|1,0,1]=4 995 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,2,0,0,0,0|0,0,1]=3 996 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,2,0,0,0,0|1,0,1]=4 997 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,2,0,0,0,0|1,0,1]=4 998 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,2,0,0,0,0|1,0,1]=4 999 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,2,0,0,0,0|1,0,1]=4 1000 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,2,0,0,0,0|1,0,1]=4 1001 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,2,0,0,0,0|1,0,1]=4 1002 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,2,0,0,0,0|1,0,1]=4 1003 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,2,0,0,0,0|0,1,1]=4 1004 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,2,0,0,0,0|2,0,0]=4 1005 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,2,0,0,0,0|2,0,0]=4 1006 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,2,0,0,0,0|1,0,0]=3 1007 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,2,0,0,0,0|1,0,0]=3 1008 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,2,0,0,0,0|1,0,1]=4 1009 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,2,0,0,0,0|1,1,0]=4 1010 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,2,0,0,0,0|1,1,0]=4 1011 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,2,0,0,0,0|2,0,0]=4 1012 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,2,0,0,0,0|2,0,0]=4 1013 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,2,0,0,0,0|2,0,0]=4 1014 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,2,0,0,0,0|2,0,0]=4 1015 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,2,0,0,0,0|2,0,0]=4 1016 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,2,0,0,0,0|2,0,0]=4 1017 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,2,0,0,0,0|2,0,0]=4 1018 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,2,0,0,0,0|2,0,0]=4 1019 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,2,0,0,0,0|2,0,0]=4 1020 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,2,0,0,0,0|2,0,0]=4 1021 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,2,0,0,0,0|2,0,0]=4 1022 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,2,0,0,0,0|2,0,0]=4 1023 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,2,0,0,0,0|2,0,0]=4 1024 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,2,0,0,0,0|2,0,0]=4 1025 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,2,0,0,0,0|2,0,0]=4 1026 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,2,0,0,0,0|2,0,0]=4 1028 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,2,0,0,0,0|2,0,0]=4 1029 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,2,0,0,0,0|2,0,0]=4 1030 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,2,0,0,0,0|2,0,0]=4 1031 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,2,0,0,0,0|1,0,0]=3 1032 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,2,0,0,0,0|1,0,0]=3 1033 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,2,0,0,0,0|1,0,1]=4 1034 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,2,0,0,0,0|1,1,0]=4 1035 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,2,0,0,0,0|1,1,0]=4 1036 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,2,0,0,0,0|2,0,0]=4 1037 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,2,0,0,0,0|2,0,0]=4 1038 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,2,0,0,0,0|1,0,1]=4 1039 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,2,0,0,0,0|2,0,0]=4 1040 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,2,0,0,0,0|2,0,0]=4 1041 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,2,0,0,0,0|2,0,0]=4 1042 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,2,0,0,0,0|2,0,0]=4 1043 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,2,0,0,0,0|2,0,0]=4 1044 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,2,0,0,0,0|2,0,0]=4 1045 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,2,0,0,0,0|2,0,0]=4 1046 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,2,0,0,0,0|2,0,0]=4 1047 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,2,0,0,0,0|1,0,1]=4 1048 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,2,0,0,0,0|0,0,1]=3 1049 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,2,0,0,0,0|1,0,0]=3 1050 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,2,0,0,0,0|1,0,0]=3 1051 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,2,0,0,0,0|1,0,0]=3 1052 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,2,0,0,0,0|1,0,0]=3 1053 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,2,0,0,0,0|1,0,0]=3 1054 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,2,0,0,0,0|1,0,0]=3 1055 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,2,0,0,0,0|1,0,0]=3 1056 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,2,0,0,0,0|0,1,1]=4 1057 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,2,0,0,0,0|0,1,1]=4 1058 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,2,0,0,0,0|1,1,0]=4 1059 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,2,0,0,0,0|1,1,0]=4 1060 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,2,0,0,0,0|1,1,0]=4 1061 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,2,0,0,0,0|1,1,0]=4 1062 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,2,0,0,0,0|1,1,0]=4 1063 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,2,0,0,0,0|1,1,0]=4 1064 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,2,0,0,0,0|1,1,0]=4 1065 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,2,0,0,0,0|1,1,0]=4 1066 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,2,0,0,0,0|1,1,0]=4 1067 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,2,0,0,0,0|1,1,0]=4 1068 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,2,0,0,0,0|1,0,0]=3 1069 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,2,0,0,0,0|1,0,0]=3 1070 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,2,0,0,0,0|1,0,0]=3 1071 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1072 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,2,0,0,0,0|1,0,0]=3 1073 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1074 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,2,0,0,0,0|1,0,0]=3 1075 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,2,0,0,0,0|1,0,0]=3 1076 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,2,0,0,0,0|1,0,0]=3 1077 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,2,0,0,0,0|1,0,0]=3 1078 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,2,0,0,0,0|1,0,1]=4 1079 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,2,0,0,0,0|1,0,1]=4 1080 B6R0.6 CC#CCOCF 34a_100000761923_100015361967 [0,2,0,0,0,0|1,0,1]=4 1081 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,2,0,0,0,0|2,0,0]=4 1082 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,2,0,0,0,0|2,0,0]=4 1083 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,2,0,0,0,0|2,0,0]=4 1084 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,2,0,0,0,0|1,0,1]=4 1085 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,2,0,0,0,0|1,0,1]=4 1086 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,2,0,0,0,0|1,0,1]=4 1087 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,2,0,0,0,0|1,1,0]=4 1088 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,2,0,0,0,0|1,1,0]=4 1089 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,2,0,0,0,0|1,1,0]=4 1090 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,2,0,0,0,0|1,1,0]=4 1091 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,2,0,0,0,0|2,0,0]=4 1092 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,2,0,0,0,0|1,0,0]=3 1093 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,2,0,0,0,0|1,1,0]=4 1094 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,2,0,0,0,0|1,1,0]=4 1095 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,2,0,0,0,0|2,0,0]=4 1096 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,2,0,0,0,0|2,0,0]=4 1097 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,2,0,0,0,0|2,0,0]=4 1098 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,2,0,0,0,0|2,0,0]=4 1099 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,2,0,0,0,0|2,0,0]=4 1100 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1101 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,2,0,0,0,0|1,0,1]=4 1102 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,2,0,0,0,0|1,0,1]=4 1103 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,2,0,0,0,0|1,0,1]=4 1104 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,2,0,0,0,0|1,0,1]=4 1105 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,2,0,0,0,0|0,0,0]=2 1106 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,2,0,0,0,0|1,0,1]=4 1107 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,2,0,0,0,0|1,0,1]=4 1108 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,2,0,0,0,0|1,0,1]=4 1109 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,2,0,0,0,0|1,0,1]=4 1110 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,2,0,0,0,0|0,0,2]=4 1111 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,2,0,0,0,0|0,1,1]=4 1112 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,2,0,0,0,0|0,1,0]=3 1113 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,2,0,0,0,0|0,1,0]=3 1114 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,2,0,0,0,0|1,0,1]=4 1115 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,2,0,0,0,0|1,0,1]=4 1116 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,2,0,0,0,0|1,0,1]=4 1117 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,2,0,0,0,0|1,0,1]=4 1118 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,2,0,0,0,0|1,0,1]=4 1119 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,2,0,0,0,0|0,0,2]=4 1120 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,2,0,0,0,0|1,0,1]=4 1121 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,2,0,0,0,0|1,0,1]=4 1122 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,2,0,0,0,0|1,0,1]=4 1123 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,2,0,0,0,0|1,0,1]=4 1124 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,2,0,0,0,0|1,0,1]=4 1125 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,2,0,0,0,0|1,0,1]=4 1126 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,2,0,0,0,0|1,0,1]=4 1127 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,2,0,0,0,0|0,0,2]=4 1128 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,2,0,0,0,0|0,0,2]=4 1129 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,2,0,0,0,0|0,0,2]=4 1130 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,2,0,0,0,0|0,0,2]=4 1131 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,2,0,0,0,0|0,0,2]=4 1132 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,2,0,0,0,0|0,0,2]=4 1133 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,2,0,0,0,0|0,0,2]=4 1134 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,2,0,0,0,0|0,0,2]=4 1135 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,2,0,0,0,0|0,1,1]=4 1136 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,2,0,0,0,0|0,1,1]=4 1137 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,2,0,0,0,0|0,1,1]=4 1138 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,2,0,0,0,0|0,1,1]=4 1139 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,2,0,0,0,0|0,1,1]=4 1140 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,2,0,0,0,0|0,1,1]=4 1141 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,2,0,0,0,0|0,1,1]=4 1142 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,2,0,0,0,0|0,1,1]=4 1143 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,2,0,0,0,0|0,1,1]=4 1144 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,2,0,0,0,0|0,1,1]=4 1145 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,2,0,0,0,0|0,1,1]=4 1146 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,2,0,0,0,0|1,0,0]=3 1147 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,2,0,0,0,0|1,0,0]=3 1148 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,2,0,0,0,0|1,0,1]=4 1149 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,2,0,0,0,0|0,1,0]=3 1150 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,2,0,0,0,0|0,1,0]=3 1151 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,2,0,0,0,0|1,0,0]=3 1152 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,2,0,0,0,0|1,0,0]=3 1153 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,2,0,0,0,0|1,0,1]=4 1154 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,2,0,0,0,0|1,0,1]=4 1155 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,2,0,0,0,0|0,1,1]=4 1156 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,2,0,0,0,0|0,1,1]=4 1157 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,2,0,0,0,0|0,1,0]=3 1158 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,2,0,0,0,0|0,1,0]=3 1159 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,2,0,0,0,0|1,0,1]=4 1160 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,2,0,0,0,0|1,0,1]=4 1161 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,2,0,0,0,0|1,0,1]=4 1162 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,2,0,0,0,0|1,0,1]=4 1163 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,2,0,0,0,0|0,1,1]=4 1164 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,2,0,0,0,0|0,1,1]=4 1165 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,2,0,0,0,0|1,0,1]=4 1166 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,2,0,0,0,0|0,0,0]=2 1167 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,2,0,0,0,0|1,0,1]=4 1168 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,2,0,0,0,0|0,0,2]=4 1169 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,2,0,0,0,0|1,0,1]=4 1170 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,2,0,0,0,0|1,0,0]=3 1171 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,2,0,0,0,0|1,0,0]=3 1172 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,2,0,0,0,0|1,0,0]=3 1173 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,2,0,0,0,0|0,0,0]=2 1174 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,2,0,0,0,0|0,1,1]=4 1175 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,2,0,0,0,0|0,1,0]=3 1176 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,2,0,0,0,0|0,1,0]=3 1177 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,2,0,0,0,0|0,1,0]=3 1178 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,2,0,0,0,0|0,1,0]=3 1179 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,2,0,0,0,0|0,0,2]=4 1180 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,2,0,0,0,0|1,0,0]=3 1181 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,2,0,0,0,0|1,0,0]=3 1182 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|2,0,0]=4 1183 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|2,0,0]=4 1185 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|2,0,0]=4 1186 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,2,0,0,0,0|2,0,0]=4 1187 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,2,0,0,0,0|2,0,0]=4 1188 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|2,0,0]=4 1189 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,2,0,0,0,0|2,0,0]=4 1190 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,2,0,0,0,0|2,0,0]=4 1191 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,2,0,0,0,0|2,0,0]=4 1192 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,2,0,0,0,0|2,0,0]=4 1193 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,1,0,1,0,0|2,0,0]=4 1194 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,1,0,1,0,0|2,0,0]=4 1195 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|1,0,1]=4 1196 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|1,0,0]=3 1197 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|2,0,0]=4 1198 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|1,0,0]=3 1199 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|2,0,0]=4