0 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C#CCNC 34a_100000212058_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C#CCNC 34a_100102657272_100000184674 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C#CCNC 7a_106832991635_100000038162 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 C#CCOC 34a_100000210247_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 C#CCOC 34a_100138415774_100000184674 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 C#CCSC 62a_100000038162_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 C=CCNC 34a_100102657272_100015514636 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.2 C=CCNC 7a_106832991635_100015514636 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.2 C=CCOC 34a_100138415774_100015514636 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.2 C=CCOC 34a_200000210373_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 C=CCSC 62a_100000210623_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.2 C=CCSC 62a_200000210301_100000210623 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.2 CCCNC 2230a_106832991635_100000210303 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.2 CCCNC 34a_100102657272_100000210303 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.2 CCCNC 7a_106832991635_100000210303 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.2 CCCOC 34a_100000210258_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.2 CCCOC 34a_100138415774_100000210303 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.2 CCCSC 62a_100000210303_200000210301 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.2 CCCSC 62a_200000210301_100000210303 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [0,0,0,0,0,0|2,0,0]=2 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|2,0,1]=3 34 B4R0.2 CCOCF 34a_100121572206_100015361967 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.2 CCSCC 62a_100000210202_100000210202 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.2 CCSCF 62a_100000210202_100015361967 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.2 CCSCF 62a_100015361967_100000210202 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.2 CNCC#N 7a_106832991635_100011215382 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [0,0,0,0,0,0|1,0,0]=1 41 B4R0.2 CNCC=O 34a_100102657272_200009817547 [0,0,0,0,0,0|1,0,0]=1 42 B4R0.2 CNCC=O 7a_106832991635_200015260668 [0,0,0,0,0,0|1,0,0]=1 43 B4R0.2 CNCCF 2230a_106832991635_100011217306 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.2 CNCCF 34a_100000724931_200000210301 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.2 CNCCF 34a_100102657272_100011217306 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.2 CNCCF 7a_106832991635_100011217306 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.2 CNCCO 2230a_100016997473_200000210301 [0,0,0,0,0,0|1,0,2]=3 48 B4R0.2 CNCCO 2230a_106832991635_100000211926 [0,0,0,0,0,0|1,0,2]=3 49 B4R0.2 CNCCO 34a_100016990907_200000210301 [0,0,0,0,0,0|1,0,2]=3 50 B4R0.2 CNCCO 34a_100102657272_100000211926 [0,0,0,0,0,0|1,0,2]=3 51 B4R0.2 CNCCO 7a_106832991635_100000211926 [0,0,0,0,0,0|1,0,2]=3 52 B4R0.2 CNCOC 2230a_106832991635_100000766300 [0,0,0,0,0,0|3,0,0]=3 53 B4R0.2 CNCSC 2230a_106832991635_100011218213 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.2 CNCSC 34a_100102657272_100011218213 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.2 COCC=O 34a_100138415774_200009817547 [0,0,0,0,0,0|1,0,0]=1 56 B4R0.2 COCCBr 34a_100000211926_200000210301 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.2 COCCF 34a_100138415774_100011217306 [0,0,0,0,0,0|2,0,1]=3 58 B4R0.2 COCCN 34a_100000210304_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B4R0.2 COCCO 34a_100138415774_100000211926 [0,0,0,0,0,0|1,0,2]=3 60 B4R0.2 COCSC 34a_100138415774_100011218213 [0,0,0,0,0,0|3,0,0]=3 61 B4R0.2 COCSC 62a_100000766300_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B4R0.2 COCSC 62a_200000210301_100000766300 [0,0,0,0,0,0|3,0,0]=3 63 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.2 CSCC#N 62a_100011215382_200000210301 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.2 CSCC#N 62a_200000210301_100011215382 [0,0,0,0,0,0|2,0,1]=3 67 B4R0.2 CSCC=O 62a_200000210301_200015260668 [0,0,0,0,0,0|1,0,0]=1 68 B4R0.2 CSCC=O 62a_200015260668_200000210301 [0,0,0,0,0,0|1,0,0]=1 69 B4R0.2 CSCCF 62a_100011217306_200000210301 [0,0,0,0,0,0|2,0,1]=3 70 B4R0.2 CSCCF 62a_200000210301_100011217306 [0,0,0,0,0,0|2,0,1]=3 71 B4R0.2 CSCCO 62a_100000211926_200000210301 [0,0,0,0,0,0|1,0,2]=3 72 B4R0.2 CSCCO 62a_200000210301_100000211926 [0,0,0,0,0,0|1,0,2]=3 73 B4R0.2 CSCSC 62a_100011218213_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B4R0.2 CSCSC 62a_200000210301_100011218213 [0,0,0,0,0,0|3,0,0]=3 75 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [0,0,0,0,0,0|3,0,0]=3 76 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [0,0,0,0,0,0|3,0,0]=3 77 B4R0.2 FCSCF 62a_100015361967_100015361967 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [0,0,0,0,0,0|1,0,2]=3 80 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [0,0,0,0,0,0|1,0,2]=3 81 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [0,0,0,0,0,0|2,0,1]=3 84 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [0,0,0,0,0,0|1,0,0]=1 86 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [0,0,0,0,0,0|1,0,0]=1 87 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [0,0,0,0,0,0|2,0,1]=3 88 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [0,0,0,0,0,0|2,0,1]=3 89 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [0,0,0,0,0,0|1,0,2]=3 90 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [0,0,0,0,0,0|1,0,2]=3 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|1,0,1]=3 97 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|1,0,1]=3 99 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|1,0,1]=3 100 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|1,0,1]=3 103 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,0]=3 105 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,0]=3 106 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,0]=3 109 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|0,0,2]=3 111 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|0,0,2]=3 112 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|0,0,2]=3 113 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 121 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|2,0,0]=3 130 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|2,0,0]=3 136 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|2,0,0]=3 137 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|0,0,2]=3 139 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|0,0,2]=3 140 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|0,0,2]=3 141 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|2,0,0]=3 143 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|0,0,2]=3 148 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|0,0,2]=3 149 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|1,0,1]=3 153 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|1,0,0]=2 156 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|1,0,0]=2 158 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|2,0,0]=3 172 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|0,0,2]=3 174 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|0,0,2]=3 175 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|0,0,0]=1 176 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|0,0,0]=1 177 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|0,0,0]=1 178 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|2,0,0]=3 184 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 190 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|1,0,0]=2 199 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|1,0,2]=4 202 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|1,0,2]=4 203 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|1,0,2]=4 204 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|1,0,2]=4 207 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|1,0,2]=4 208 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|1,0,0]=2 211 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|1,0,0]=2 212 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,0]=3 215 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,1,0,0,0,0|2,0,1]=4 226 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,1,0,0,0,0|2,0,1]=4 227 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|2,0,0]=3 230 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|2,0,0]=3 231 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|2,0,0]=3 232 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|2,0,0]=3 234 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|1,0,0]=2 237 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|1,0,0]=2 238 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|2,0,0]=3 240 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|2,0,0]=3 242 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|2,0,1]=4 246 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|1,0,0]=2 253 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|1,0,0]=2 257 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|1,0,0]=2 258 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|2,0,0]=3 261 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|2,0,0]=3 262 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|2,0,0]=3 273 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|1,0,2]=4 274 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|1,0,2]=4 275 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|1,0,2]=4 276 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|1,0,1]=3 277 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|1,0,0]=2 279 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|1,0,0]=2 280 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,1,0,0,0,0|2,0,1]=4 281 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|2,0,1]=4 282 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|1,0,0]=2 283 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|1,0,0]=2 284 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|1,0,0]=2 285 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|1,0,0]=2 286 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,1,0,0,0,0|2,0,1]=4 288 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|2,0,0]=3 289 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [0,1,0,0,0,0|1,0,1]=3 290 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [0,1,0,0,0,0|1,0,1]=3 291 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [0,1,0,0,0,0|1,0,1]=3 292 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [0,1,0,0,0,0|1,0,1]=3 293 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [0,1,0,0,0,0|1,0,1]=3 294 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [0,1,0,0,0,0|1,0,1]=3 295 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [0,1,0,0,0,0|1,0,1]=3 296 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [0,1,0,0,0,0|1,0,1]=3 297 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [0,1,0,0,0,0|1,0,1]=3 298 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [0,1,0,0,0,0|1,0,1]=3 299 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [0,1,0,0,0,0|1,0,1]=3 302 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [0,1,0,0,0,0|1,0,1]=3 303 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [0,1,0,0,0,0|2,0,1]=4 304 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [0,1,0,0,0,0|1,0,1]=3 306 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [0,1,0,0,0,0|2,0,1]=4 307 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [0,1,0,0,0,0|1,0,1]=3 308 B5R0.2 C#CCSCF 62a_100000038162_100015361967 [0,1,0,0,0,0|2,0,1]=4 309 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,1,0,0,0,0|1,0,1]=3 310 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,1,0,0,0,0|1,0,1]=3 311 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,1,0,0,0,0|1,0,1]=3 312 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,1,0,0,0,0|1,0,1]=3 313 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,1,0,0,0,0|1,0,1]=3 316 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,1,0,0,0,0|1,0,1]=3 318 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [0,1,0,0,0,0|1,0,0]=2 319 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [0,1,0,0,0,0|1,0,0]=2 320 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [0,1,0,0,0,0|1,0,0]=2 321 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [0,1,0,0,0,0|1,0,0]=2 322 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [0,1,0,0,0,0|1,0,0]=2 323 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [0,1,0,0,0,0|1,0,0]=2 324 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [0,1,0,0,0,0|1,0,0]=2 325 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [0,1,0,0,0,0|1,0,0]=2 326 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [0,1,0,0,0,0|1,0,0]=2 327 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [0,1,0,0,0,0|1,0,0]=2 328 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [0,1,0,0,0,0|1,0,0]=2 329 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [0,1,0,0,0,0|1,0,0]=2 330 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [0,1,0,0,0,0|1,0,0]=2 331 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [0,1,0,0,0,0|1,0,0]=2 332 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [0,1,0,0,0,0|1,0,0]=2 333 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [0,1,0,0,0,0|1,0,0]=2 334 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [0,1,0,0,0,0|2,0,0]=3 335 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [0,1,0,0,0,0|1,0,0]=2 336 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [0,1,0,0,0,0|1,0,0]=2 337 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [0,1,0,0,0,0|2,0,0]=3 338 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [0,1,0,0,0,0|2,0,0]=3 339 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [0,1,0,0,0,0|1,0,2]=4 340 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [0,1,0,0,0,0|1,0,2]=4 341 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [0,1,0,0,0,0|1,0,2]=4 342 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [0,1,0,0,0,0|1,0,2]=4 343 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [0,1,0,0,0,0|1,0,2]=4 344 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [0,1,0,0,0,0|1,0,2]=4 345 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [0,1,0,0,0,0|1,0,2]=4 346 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [0,1,0,0,0,0|1,0,2]=4 347 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [0,1,0,0,0,0|1,0,2]=4 348 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [0,1,0,0,0,0|1,0,2]=4 349 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [0,1,0,0,0,0|1,0,2]=4 350 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [0,1,0,0,0,0|1,0,2]=4 351 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [0,1,0,0,0,0|1,0,2]=4 352 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [0,1,0,0,0,0|1,0,2]=4 353 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,1,0,0,0,0|1,0,1]=3 354 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,1,0,0,0,0|1,0,1]=3 355 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,1,0,0,0,0|1,0,1]=3 356 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,1,0,0,0,0|1,0,1]=3 357 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,1,0,0,0,0|1,0,1]=3 358 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,1,0,0,0,0|1,0,1]=3 359 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,1,0,0,0,0|1,0,1]=3 360 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,1,0,0,0,0|1,0,1]=3 361 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,1,0,0,0,0|2,0,0]=3 362 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [0,1,0,0,0,0|1,0,1]=3 363 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [0,1,0,0,0,0|1,0,1]=3 364 B5R0.2 CCCCNC 34a_100102657272_100000210210 [0,1,0,0,0,0|1,0,1]=3 365 B5R0.2 CCCCNC 7a_106832991635_100000210211 [0,1,0,0,0,0|1,0,1]=3 366 B5R0.2 CCCCNC 7a_106832991798_200000210301 [0,1,0,0,0,0|1,0,1]=3 367 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [0,1,0,0,0,0|1,0,1]=3 368 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [0,1,0,0,0,0|1,0,1]=3 369 B5R0.2 CCCCOC 34a_100000210227_200000210301 [0,1,0,0,0,0|0,0,2]=3 370 B5R0.2 CCCCOC 34a_100138415774_100000210210 [0,1,0,0,0,0|0,0,2]=3 371 B5R0.2 CCCCOC 7a_100000210227_200000210301 [0,1,0,0,0,0|0,0,2]=3 372 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [0,1,0,0,0,0|0,0,2]=3 373 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [0,1,0,0,0,0|0,0,2]=3 374 B5R0.2 CCCCSC 62a_100000210211_200000210301 [0,1,0,0,0,0|0,1,1]=3 375 B5R0.2 CCCCSC 62a_200000210301_100000210210 [0,1,0,0,0,0|0,1,1]=3 376 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [0,1,0,0,0,0|0,1,1]=3 377 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [0,1,0,0,0,0|0,1,1]=3 378 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [0,1,0,0,0,0|1,0,1]=3 379 B5R0.2 CCCOCC 34a_100000210258_100000210202 [0,1,0,0,0,0|1,0,1]=3 380 B5R0.2 CCCOCC 34a_100121572206_100000210303 [0,1,0,0,0,0|1,0,1]=3 381 B5R0.2 CCCOCF 34a_100000210258_100015361967 [0,1,0,0,0,0|1,0,1]=3 382 B5R0.2 CCCSCC 62a_100000210202_100000210303 [0,1,0,0,0,0|1,0,1]=3 383 B5R0.2 CCCSCC 62a_100000210303_100000210202 [0,1,0,0,0,0|1,0,1]=3 384 B5R0.2 CCCSCF 62a_100000210303_100015361967 [0,1,0,0,0,0|1,0,1]=3 385 B5R0.2 CCCSCF 62a_100015361967_100000210303 [0,1,0,0,0,0|1,0,1]=3 386 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [0,1,0,0,0,0|1,0,1]=3 387 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [0,1,0,0,0,0|0,0,0]=1 388 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [0,1,0,0,0,0|1,0,1]=3 389 B5R0.2 CCNCCF 34a_100000724931_100000210202 [0,1,0,0,0,0|1,0,1]=3 390 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [0,1,0,0,0,0|0,0,2]=3 391 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [0,1,0,0,0,0|0,0,2]=3 392 B5R0.2 CCNCCO 34a_100016990907_100000210202 [0,1,0,0,0,0|0,0,2]=3 393 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [0,1,0,0,0,0|2,0,0]=3 394 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [0,1,0,0,0,0|2,0,0]=3 395 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [0,1,0,0,0,0|0,0,0]=1 396 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [0,1,0,0,0,0|1,0,1]=3 397 B5R0.2 CCOCCF 34a_100121572206_100011217306 [0,1,0,0,0,0|1,0,1]=3 398 B5R0.2 CCOCCN 34a_100000210304_100000210202 [0,1,0,0,0,0|1,0,1]=3 399 B5R0.2 CCOCCO 34a_100121572206_100000211926 [0,1,0,0,0,0|0,0,2]=3 400 B5R0.2 CCOCSC 34a_100121572206_100011218213 [0,1,0,0,0,0|2,0,0]=3 401 B5R0.2 CCOCSC 62a_100000739092_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B5R0.2 CCOCSC 62a_200000210301_100000739092 [0,1,0,0,0,0|2,0,0]=3 403 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [0,1,0,0,0,0|2,0,0]=3 404 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [0,1,0,0,0,0|2,0,0]=3 405 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [0,1,0,0,0,0|1,0,1]=3 406 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [0,1,0,0,0,0|1,0,1]=3 407 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [0,1,0,0,0,0|0,0,0]=1 408 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [0,1,0,0,0,0|0,0,0]=1 409 B5R0.2 CCSCCF 62a_100000210202_100011217306 [0,1,0,0,0,0|1,0,1]=3 410 B5R0.2 CCSCCF 62a_100011217306_100000210202 [0,1,0,0,0,0|1,0,1]=3 411 B5R0.2 CCSCCO 62a_100000210202_100000211926 [0,1,0,0,0,0|0,0,2]=3 412 B5R0.2 CCSCCO 62a_100000211926_100000210202 [0,1,0,0,0,0|0,0,2]=3 413 B5R0.2 CCSCOC 62a_100000210202_100000766300 [0,1,0,0,0,0|2,0,0]=3 414 B5R0.2 CCSCOC 62a_100000766300_100000210202 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.2 CCSCSC 62a_100000210202_100011218213 [0,1,0,0,0,0|2,0,0]=3 416 B5R0.2 CCSCSC 62a_100011218213_100000210202 [0,1,0,0,0,0|2,0,0]=3 417 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [0,1,0,0,0,0|1,0,1]=3 418 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [0,1,0,0,0,0|1,0,1]=3 419 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [0,1,0,0,0,0|1,0,1]=3 420 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [0,1,0,0,0,0|1,0,1]=3 421 B5R0.2 CNCCCF 34a_100015189416_200000210301 [0,1,0,0,0,0|1,0,1]=3 422 B5R0.2 CNCCCF 34a_100102657272_100011934791 [0,1,0,0,0,0|1,0,1]=3 423 B5R0.2 CNCCCF 7a_106832991635_100011934791 [0,1,0,0,0,0|1,0,1]=3 424 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [0,1,0,0,0,0|0,0,2]=3 425 B5R0.2 CNCCCO 34a_100102657272_100000230001 [0,1,0,0,0,0|0,0,2]=3 426 B5R0.2 CNCCCO 7a_106832991635_100011215043 [0,1,0,0,0,0|0,0,2]=3 427 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [0,1,0,0,0,0|2,0,0]=3 429 B5R0.2 CNCCOC 34a_100102657272_100011201679 [0,1,0,0,0,0|2,0,0]=3 430 B5R0.2 CNCCOC 7a_106832991635_100000233755 [0,1,0,0,0,0|2,0,0]=3 431 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [0,1,0,0,0,0|2,0,0]=3 432 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [0,1,0,0,0,0|2,0,0]=3 433 B5R0.2 CNCCSC 34a_100102657272_100000212216 [0,1,0,0,0,0|2,0,0]=3 434 B5R0.2 CNCCSC 7a_106832991635_100000212216 [0,1,0,0,0,0|2,0,0]=3 435 B5R0.2 COCCCBr 34a_100011217188_200000210301 [0,1,0,0,0,0|1,0,1]=3 436 B5R0.2 COCCCCl 34a_100000230001_200000210301 [0,1,0,0,0,0|1,0,1]=3 437 B5R0.2 COCCCF 34a_100000759539_200000210301 [0,1,0,0,0,0|1,0,1]=3 438 B5R0.2 COCCCF 34a_100138415774_100011934791 [0,1,0,0,0,0|1,0,1]=3 439 B5R0.2 COCCCN 34a_100000182051_200000210301 [0,1,0,0,0,0|1,0,1]=3 440 B5R0.2 COCCCO 34a_100138415774_100000230001 [0,1,0,0,0,0|0,0,2]=3 441 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [0,1,0,0,0,0|2,0,0]=3 442 B5R0.2 COCCOC 34a_100000210237_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B5R0.2 COCCOC 34a_100138415774_100011201679 [0,1,0,0,0,0|2,0,0]=3 444 B5R0.2 COCCON 34a_100000700252_200000210301 [0,1,0,0,0,0|2,0,0]=3 445 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [0,1,0,0,0,0|2,0,0]=3 446 B5R0.2 COCCSC 34a_100000230434_200000210301 [0,1,0,0,0,0|2,0,0]=3 447 B5R0.2 COCCSC 34a_100138415774_100000212216 [0,1,0,0,0,0|2,0,0]=3 448 B5R0.2 COCCSC 62a_100000233755_200000210301 [0,1,0,0,0,0|2,0,0]=3 449 B5R0.2 COCCSC 62a_200000210301_100000233755 [0,1,0,0,0,0|2,0,0]=3 450 B5R0.2 COCCSC 7a_100000230434_200000210301 [0,1,0,0,0,0|2,0,0]=3 451 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [0,1,0,0,0,0|2,0,0]=3 453 B5R0.2 COCSCF 62a_100000766300_100015361967 [0,1,0,0,0,0|2,0,1]=4 454 B5R0.2 COCSCF 62a_100015361967_100000766300 [0,1,0,0,0,0|2,0,1]=4 455 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [0,1,0,0,0,0|1,0,1]=3 456 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [0,1,0,0,0,0|1,0,1]=3 457 B5R0.2 CSCCCF 62a_100011934791_200000210301 [0,1,0,0,0,0|1,0,1]=3 458 B5R0.2 CSCCCF 62a_200000210301_100011934791 [0,1,0,0,0,0|1,0,1]=3 459 B5R0.2 CSCCCO 62a_100011215043_200000210301 [0,1,0,0,0,0|0,0,2]=3 460 B5R0.2 CSCCCO 62a_200000210301_100011215043 [0,1,0,0,0,0|0,0,2]=3 461 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [0,1,0,0,0,0|2,0,0]=3 462 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [0,1,0,0,0,0|2,0,0]=3 463 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [0,1,0,0,0,0|2,0,0]=3 464 B5R0.2 CSCCSC 62a_100000212216_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B5R0.2 CSCCSC 62a_200000210301_100000751147 [0,1,0,0,0,0|2,0,0]=3 466 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [0,1,0,0,0,0|2,0,0]=3 467 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [0,1,0,0,0,0|2,0,0]=3 468 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [0,1,0,0,0,0|2,0,1]=4 469 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [0,1,0,0,0,0|2,0,1]=4 470 B5R0.2 CSCSCF 62a_100011218213_100015361967 [0,1,0,0,0,0|2,0,1]=4 471 B5R0.2 CSCSCF 62a_100015361967_100011218213 [0,1,0,0,0,0|2,0,1]=4 472 B5R0.2 FCCNCF 34a_100000724931_100015361967 [0,1,0,0,0,0|2,0,1]=4 473 B5R0.2 FCCSCF 62a_100011217306_100015361967 [0,1,0,0,0,0|2,0,1]=4 474 B5R0.2 FCCSCF 62a_100015361967_100011217306 [0,1,0,0,0,0|2,0,1]=4 475 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [0,1,0,0,0,0|2,0,1]=4 476 B5R0.2 N#CCSCF 62a_100011215382_100015361967 [0,1,0,0,0,0|2,0,1]=4 477 B5R0.2 N#CCSCF 62a_100015361967_100011215382 [0,1,0,0,0,0|2,0,1]=4 478 B5R0.2 NCCOCF 34a_100000210304_100015361967 [0,1,0,0,0,0|2,0,1]=4 479 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [0,1,0,0,0,0|1,0,0]=2 480 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [0,1,0,0,0,0|1,0,0]=2 481 B5R0.2 OCCNCF 34a_100016990907_100015361967 [0,1,0,0,0,0|1,0,2]=4 482 B5R0.2 OCCSCF 62a_100000211926_100015361967 [0,1,0,0,0,0|1,0,2]=4 483 B5R0.2 OCCSCF 62a_100015361967_100000211926 [0,1,0,0,0,0|1,0,2]=4 484 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [0,1,0,0,0,0|1,0,1]=3 485 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [0,1,0,0,0,0|1,0,1]=3 486 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [0,1,0,0,0,0|1,0,1]=3 487 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [0,1,0,0,0,0|1,0,1]=3 488 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [0,1,0,0,0,0|1,0,1]=3 489 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [0,1,0,0,0,0|1,0,1]=3 490 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [0,1,0,0,0,0|1,0,1]=3 492 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [0,1,0,0,0,0|1,0,1]=3 493 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [0,1,0,0,0,0|1,0,1]=3 494 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [0,1,0,0,0,0|1,0,1]=3 495 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [0,1,0,0,0,0|0,0,2]=3 496 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [0,1,0,0,0,0|0,0,2]=3 497 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [0,1,0,0,0,0|2,0,1]=4 498 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [0,1,0,0,0,0|2,0,1]=4 499 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|1,0,2]=4 500 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 501 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,1,0,0,0,0|2,0,1]=4 502 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,1,0,0,0,0|2,0,1]=4 503 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 504 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,1,0,0,0,0|2,0,1]=4 505 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,1,0,0,0,0|2,0,1]=4 506 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,1,0,0,0,0|2,0,1]=4 507 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,1,0,0,0,0|2,0,1]=4 508 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,1,0,0,0,0|2,0,1]=4 509 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,1,0,0,0,0|2,0,1]=4 510 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,1,0,0,0,0|2,0,1]=4 511 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,1,0,0,0,0|2,0,1]=4 512 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|1,0,1]=3 513 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|2,0,1]=4 514 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|2,0,1]=4 515 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|2,0,1]=4 516 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,1,0,0,0,0|2,0,0]=3 517 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,1,0,0,0,0|2,0,0]=3 518 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,1,0,0,0,0|2,0,0]=3 519 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,1,0,0,0,0|2,0,1]=4 521 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,1,0,0,0,0|2,0,1]=4 522 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,1,0,0,0,0|2,0,1]=4 523 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,1,0,0,0,0|2,0,1]=4 524 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|2,0,1]=4 525 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|2,0,1]=4 526 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|2,0,1]=4 527 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|1,0,2]=4 528 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|1,0,2]=4 529 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|1,0,2]=4 530 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|0,0,3]=4 531 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|2,0,1]=4 532 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|2,0,1]=4 533 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|2,0,1]=4 534 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|2,0,1]=4 535 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|2,0,0]=3 537 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|2,0,0]=3 538 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|2,0,0]=3 539 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|2,0,0]=3 541 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|2,0,0]=3 544 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|2,0,0]=3 545 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|2,0,0]=3 546 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|2,0,0]=3 547 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|2,0,1]=4 548 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|2,0,1]=4 549 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|2,0,1]=4 550 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|2,0,1]=4 551 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|2,0,1]=4 552 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|2,0,1]=4 553 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|2,0,1]=4 554 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|2,0,1]=4 555 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|2,0,1]=4 556 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,1,0,0,0,0|2,0,1]=4 558 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,1,0,0,0,0|2,0,1]=4 559 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 560 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|1,0,2]=4 561 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|1,0,2]=4 562 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|1,0,2]=4 563 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,1,0,0,0,0|2,0,1]=4 564 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|2,0,1]=4 565 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|2,0,1]=4 566 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|2,0,1]=4 567 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|1,0,2]=4 568 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,1,0,0,0,0|3,0,0]=4 569 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,1,0,0,0,0|3,0,0]=4 570 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,1,0,0,0,0|3,0,0]=4 572 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,1,0,0,0,0|2,0,1]=4 573 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,1,0,0,0,0|2,0,1]=4 574 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|1,0,2]=4 575 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,1,0,0,0,0|2,0,1]=4 576 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,1,0,0,0,0|2,0,1]=4 577 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|1,0,2]=4 578 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|1,0,2]=4 579 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|1,0,2]=4 580 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|1,0,2]=4 581 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|1,0,2]=4 582 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,1,0,0,0,0|2,0,1]=4 583 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,1,0,0,0,0|2,0,1]=4 584 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|2,0,0]=3 585 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|2,0,0]=3 586 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [0,0,0,1,0,0|2,0,0]=3 587 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [0,0,0,1,0,0|2,0,0]=3 588 B5R1.3 COC1CC1 34a_100138415774_100000211595 [0,0,0,1,0,0|2,0,0]=3 589 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [0,0,0,1,0,0|2,0,0]=3 590 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [0,0,0,1,0,0|2,0,0]=3 591 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [0,0,0,1,0,0|2,0,0]=3 592 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 593 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 594 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 595 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 596 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 597 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 598 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 599 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 600 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 601 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 602 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 603 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 604 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,1,0,0,0,0|0,0,2]=4 605 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,1,0,0,0,0|0,0,2]=4 606 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,1,0,0,0,0|0,0,2]=4 607 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,1,0,0,0,0|0,0,2]=4 608 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|1,0,0]=3 609 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|1,0,0]=3 610 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,1,0,0,0,0|1,0,1]=4 611 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,1,0,0,0,0|1,0,1]=4 612 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,1,0,0,0,0|1,0,1]=4 613 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,1,0,0,0,0|1,0,1]=4 614 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,1,0,0,0,0|1,0,1]=4 615 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|0,0,0]=2 616 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|0,0,0]=2 617 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|0,0,0]=2 618 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,1,0,0,0,0|1,0,1]=4 619 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,1,0,0,0,0|1,0,1]=4 620 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,1,0,0,0,0|1,0,1]=4 621 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,1,0,0,0,0|1,0,1]=4 622 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,1,0,0,0,0|1,0,1]=4 623 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,1,0,0,0,0|1,0,1]=4 624 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,1,0,0,0,0|2,0,0]=4 625 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,1,0,0,0,0|1,0,0]=3 626 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 627 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,1,0,0,0,0|1,0,0]=3 628 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,1,0,0,0,0|1,0,0]=3 629 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,1,0,0,0,0|1,0,1]=4 630 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,1,0,0,0,0|1,0,1]=4 631 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,1,0,0,0,0|1,0,1]=4 632 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,1,0,0,0,0|1,0,1]=4 633 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,1,0,0,0,0|1,0,1]=4 634 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,1,0,0,0,0|1,0,1]=4 635 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,1,0,0,0,0|1,0,1]=4 636 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,1,0,0,0,0|1,0,1]=4 637 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,1,0,0,0,0|1,0,1]=4 638 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,2,0,0,0,0|0,0,2]=4 641 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,2,0,0,0,0|0,0,2]=4 649 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,2,0,0,0,0|0,0,2]=4 650 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,2,0,0,0,0|0,0,2]=4 651 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,2,0,0,0,0|0,0,2]=4 652 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|0,0,2]=4 654 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,2,0,0,0,0|0,0,2]=4 655 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,2,0,0,0,0|0,0,2]=4 656 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,2,0,0,0,0|1,0,1]=4 661 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,2,0,0,0,0|1,0,1]=4 663 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,2,0,0,0,0|1,0,1]=4 664 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,2,0,0,0,0|1,0,1]=4 666 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,2,0,0,0,0|1,0,1]=4 667 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 668 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,2,0,0,0,0|1,0,1]=4 669 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,2,0,0,0,0|1,0,1]=4 671 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,2,0,0,0,0|2,0,0]=4 672 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,2,0,0,0,0|2,0,0]=4 674 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,2,0,0,0,0|2,0,0]=4 676 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,2,0,0,0,0|1,0,1]=4 677 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|0,0,0]=2 678 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|2,0,0]=4 682 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,0]=3 685 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,0]=3 686 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,2,0,0,0,0|1,0,0]=3 687 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,2,0,0,0,0|2,0,0]=4 688 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,2,0,0,0,0|1,0,0]=3 689 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,2,0,0,0,0|2,0,0]=4 690 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,2,0,0,0,0|1,0,0]=3 691 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,2,0,0,0,0|1,0,0]=3 695 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,2,0,0,0,0|1,0,0]=3 696 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,2,0,0,0,0|1,0,0]=3 697 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,2,0,0,0,0|1,0,0]=3 698 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,2,0,0,0,0|0,0,2]=4 699 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|1,0,0]=3 700 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,2,0,0,0,0|0,0,2]=4 702 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|0,0,2]=4 703 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|0,0,2]=4 704 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|0,0,2]=4 705 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|0,0,2]=4 706 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|0,0,2]=4 707 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 715 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,2,0,0,0,0|1,0,0]=3 716 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,0]=3 717 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,0]=3 718 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|0,0,2]=4 719 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|0,0,2]=4 720 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,2,0,0,0,0|1,0,1]=4 721 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,2,0,0,0,0|1,0,1]=4 722 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|0,0,2]=4 724 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|0,0,2]=4 725 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|0,0,2]=4 727 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|0,0,2]=4 728 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|0,0,2]=4 729 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|0,0,2]=4 730 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|0,0,2]=4 731 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|0,0,2]=4 732 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|1,0,1]=4 733 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|1,0,1]=4 735 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,2,0,0,0,0|1,0,1]=4 736 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,2,0,0,0,0|1,0,1]=4 737 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|1,0,0]=3 744 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|1,0,0]=3 746 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 752 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,2,0,0,0,0|1,0,1]=4 753 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,2,0,0,0,0|1,0,1]=4 754 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 755 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,2,0,0,0,0|1,0,1]=4 756 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|0,0,2]=4 757 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,2,0,0,0,0|0,1,1]=4 758 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,2,0,0,0,0|0,1,1]=4 759 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,2,0,0,0,0|0,1,1]=4 760 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,2,0,0,0,0|0,1,1]=4 761 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,2,0,0,0,0|1,0,1]=4 762 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,2,0,0,0,0|1,0,1]=4 763 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,2,0,0,0,0|1,0,1]=4 764 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,2,0,0,0,0|1,0,1]=4 765 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,2,0,0,0,0|1,0,1]=4 766 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,2,0,0,0,0|1,0,1]=4 767 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,2,0,0,0,0|1,0,1]=4 768 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,2,0,0,0,0|1,0,1]=4 769 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|0,0,2]=4 770 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,2,0,0,0,0|0,1,1]=4 771 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,2,0,0,0,0|0,1,1]=4 772 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,2,0,0,0,0|0,1,1]=4 773 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,2,0,0,0,0|0,1,1]=4 774 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|0,0,0]=2 775 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|0,0,0]=2 776 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|0,0,0]=2 777 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|0,0,0]=2 778 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|0,0,0]=2 779 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 780 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 781 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 782 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,2,0,0,0,0|1,0,1]=4 783 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 784 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,2,0,0,0,0|1,0,1]=4 785 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,2,0,0,0,0|1,0,1]=4 786 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 787 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,2,0,0,0,0|1,0,1]=4 788 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,2,0,0,0,0|0,0,2]=4 789 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,2,0,0,0,0|0,0,2]=4 790 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,2,0,0,0,0|0,0,2]=4 791 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,2,0,0,0,0|0,0,2]=4 792 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,2,0,0,0,0|0,0,2]=4 793 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,2,0,0,0,0|0,1,1]=4 794 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,2,0,0,0,0|0,1,1]=4 795 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,2,0,0,0,0|0,1,1]=4 796 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,2,0,0,0,0|0,1,1]=4 797 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,2,0,0,0,0|1,0,1]=4 798 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,2,0,0,0,0|1,0,1]=4 799 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,2,0,0,0,0|1,0,1]=4 800 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,2,0,0,0,0|1,0,1]=4 801 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,2,0,0,0,0|1,0,1]=4 802 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,2,0,0,0,0|1,0,1]=4 803 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,2,0,0,0,0|1,0,1]=4 804 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,2,0,0,0,0|1,0,1]=4 805 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,2,0,0,0,0|1,0,1]=4 806 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,2,0,0,0,0|1,0,1]=4 807 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,2,0,0,0,0|1,0,1]=4 808 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,2,0,0,0,0|1,0,1]=4 809 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|0,0,0]=2 810 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|0,0,0]=2 811 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,2,0,0,0,0|1,0,1]=4 812 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,2,0,0,0,0|1,0,1]=4 813 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,2,0,0,0,0|0,0,2]=4 814 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,2,0,0,0,0|0,0,2]=4 815 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,2,0,0,0,0|0,0,2]=4 816 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,2,0,0,0,0|0,0,2]=4 817 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,2,0,0,0,0|0,0,2]=4 818 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,2,0,0,0,0|0,0,2]=4 819 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 820 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 821 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,2,0,0,0,0|2,0,0]=4 822 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,2,0,0,0,0|2,0,0]=4 823 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,2,0,0,0,0|0,0,2]=4 824 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,2,0,0,0,0|0,0,2]=4 825 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 826 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 827 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 828 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 829 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 830 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|1,0,0]=3 831 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 832 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 833 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 834 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 835 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|1,0,0]=3 836 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,2,0,0,0,0|1,0,1]=4 837 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,2,0,0,0,0|1,0,1]=4 838 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,2,0,0,0,0|1,0,1]=4 839 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,2,0,0,0,0|1,0,1]=4 840 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|0,0,2]=4 841 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|0,0,2]=4 842 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,2,0,0,0,0|1,0,1]=4 843 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,2,0,0,0,0|1,0,1]=4 844 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,2,0,0,0,0|1,0,1]=4 845 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 846 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,2,0,0,0,0|1,0,1]=4 847 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 848 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 849 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,2,0,0,0,0|1,0,1]=4 850 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,2,0,0,0,0|1,0,1]=4 851 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,2,0,0,0,0|1,0,1]=4 852 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,2,0,0,0,0|1,0,1]=4 853 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|0,0,2]=4 854 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,2,0,0,0,0|2,0,0]=4 855 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,2,0,0,0,0|2,0,0]=4 856 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,2,0,0,0,0|1,0,1]=4 857 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,2,0,0,0,0|1,0,1]=4 858 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|0,0,2]=4 859 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|0,0,2]=4 860 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 861 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,2,0,0,0,0|1,0,1]=4 862 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 863 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|0,0,2]=4 864 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|0,0,2]=4 865 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|0,0,2]=4 866 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,2,0,0,0,0|0,1,1]=4 867 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,2,0,0,0,0|0,1,1]=4 868 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,2,0,0,0,0|0,1,1]=4 869 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,2,0,0,0,0|0,1,1]=4 870 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,2,0,0,0,0|1,0,1]=4 871 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,2,0,0,0,0|1,0,1]=4 872 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|1,0,0]=3 873 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|1,0,0]=3 874 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|1,0,0]=3 875 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|1,0,0]=3 876 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|1,0,0]=3 877 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|1,0,0]=3 878 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|1,0,0]=3 879 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|1,0,0]=3 880 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|1,0,0]=3 881 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|1,0,0]=3 882 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|1,0,0]=3 883 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|1,0,0]=3 884 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|1,0,0]=3 885 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|1,0,0]=3 886 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|1,0,0]=3 887 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|1,0,0]=3 888 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|1,0,0]=3 889 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,2,0,0,0,0|1,0,1]=4 890 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,2,0,0,0,0|1,0,1]=4 891 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|0,0,2]=4 892 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|0,0,2]=4 893 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|0,0,2]=4 894 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 895 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|2,0,0]=4 896 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|2,0,0]=4 897 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|2,0,0]=4 898 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,2,0,0,0,0|2,0,0]=4 899 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|1,0,0]=3 900 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|1,0,0]=3 902 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 903 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|1,0,0]=3 904 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|1,0,0]=3 905 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|1,0,0]=3 906 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|0,0,2]=4 907 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 908 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,2,0,0,0,0|0,0,2]=4 909 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 910 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|0,0,2]=4 911 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|0,0,2]=4 912 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|0,0,2]=4 913 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,2,0,0,0,0|2,0,0]=4 914 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,2,0,0,0,0|0,0,2]=4 915 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,2,0,0,0,0|1,0,1]=4 916 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,2,0,0,0,0|1,0,1]=4 918 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 919 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,2,0,0,0,0|0,0,2]=4 920 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 921 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,2,0,0,0,0|0,0,2]=4 922 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|2,0,0]=4 923 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|2,0,0]=4 924 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|2,0,0]=4 925 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|2,0,0]=4 926 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,2,0,0,0,0|1,0,1]=4 927 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|0,0,2]=4 928 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|0,0,2]=4 929 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|2,0,0]=4 930 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|1,0,0]=3 931 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|1,0,0]=3 932 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|1,0,0]=3 933 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|1,0,0]=3 934 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,2,0,0,0,0|1,0,1]=4 935 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,2]=4 936 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|2,0,0]=4 937 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|1,0,0]=3 938 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|1,0,0]=3 939 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 940 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|2,0,0]=4 941 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|2,0,0]=4 942 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|2,0,0]=4 943 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|2,0,0]=4 944 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|2,0,0]=4 945 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|2,0,0]=4 946 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,2,0,0,0,0|1,0,1]=4 947 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|0,0,2]=4 948 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,2]=4 949 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|2,0,0]=4 950 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|2,0,0]=4 951 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|2,0,0]=4 952 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|1,0,1]=4 953 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|0,0,2]=4 954 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 955 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,2,0,0,0,0|2,0,0]=4 956 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,2,0,0,0,0|1,0,1]=4 957 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,2,0,0,0,0|1,0,1]=4 958 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|0,0,2]=4 959 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|0,0,2]=4 960 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|1,0,0]=3 961 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,2,0,0,0,0|0,0,2]=4 962 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,2,0,0,0,0|0,0,2]=4 963 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|0,0,2]=4 964 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|0,0,2]=4 965 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,2,0,0,0,0|1,0,1]=4 966 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,2,0,0,0,0|1,0,1]=4 967 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,2,0,0,0,0|0,0,2]=4 968 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,2,0,0,0,0|0,0,2]=4 969 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,2,0,0,0,0|1,0,1]=4 970 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|0,0,2]=4 971 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|0,0,2]=4 972 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|0,0,2]=4 973 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|0,0,2]=4 974 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,2,0,0,0,0|1,0,1]=4 975 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|1,0,1]=4 976 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|1,0,0]=3 977 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|1,0,0]=3 978 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|1,0,0]=3 979 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,2,0,0,0,0|0,0,2]=4 980 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,2,0,0,0,0|0,0,2]=4 981 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,2,0,0,0,0|1,0,1]=4 982 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 983 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,2,0,0,0,0|0,0,2]=4 984 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,2,0,0,0,0|0,0,2]=4 985 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,2,0,0,0,0|1,0,1]=4 986 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,2,0,0,0,0|1,0,1]=4 987 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,2,0,0,0,0|0,0,2]=4 988 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,2,0,0,0,0|0,0,2]=4 989 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|0,0,1]=3 990 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 991 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 992 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 993 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 994 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 995 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 996 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,2,0,0,0,0|0,0,2]=4 997 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,2,0,0,0,0|2,0,0]=4 998 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,2,0,0,0,0|2,0,0]=4 999 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|0,0,2]=4 1000 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|0,0,2]=4 1001 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|0,0,2]=4 1002 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|0,0,2]=4 1003 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|0,0,2]=4 1004 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|0,0,2]=4 1005 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|0,0,1]=3 1006 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|0,0,1]=3 1007 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|0,0,1]=3 1008 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|0,0,0]=2 1009 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|0,0,0]=2 1010 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|0,0,0]=2 1011 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|1,0,0]=3 1012 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|1,0,0]=3 1013 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|0,0,0]=2 1014 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,2,0,0,0,0|1,0,1]=4 1015 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|1,0,0]=3 1016 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 1017 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 1018 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 1019 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 1020 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|0,0,0]=2 1021 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,2,0,0,0,0|2,0,0]=4 1022 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,2,0,0,0,0|2,0,0]=4 1023 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,2,0,0,0,0|2,0,0]=4 1024 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,2,0,0,0,0|2,0,0]=4 1025 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,2,0,0,0,0|2,0,0]=4 1026 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,2,0,0,0,0|2,0,0]=4 1028 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1029 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|2,0,0]=4 1030 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1031 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|2,0,0]=4 1032 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1033 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1034 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|1,0,0]=3 1035 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|1,0,0]=3 1036 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|1,0,0]=3 1037 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|1,0,0]=3 1038 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|1,0,0]=3 1039 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|1,0,0]=3 1040 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,2,0,0,0,0|2,0,0]=4 1041 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|1,0,0]=3 1042 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|1,0,0]=3 1043 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|0,0,0]=2 1044 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|2,0,0]=4 1045 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|2,0,0]=4 1046 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|1,0,0]=3 1047 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|0,0,1]=3 1048 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|0,0,2]=4 1049 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|0,0,2]=4 1050 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|0,0,2]=4 1051 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,1]=4 1052 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|2,0,0]=4 1053 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,1]=4 1054 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|0,0,2]=4 1055 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|0,0,2]=4 1056 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,2,0,0,0,0|2,0,0]=4 1057 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|1,0,1]=4 1058 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|1,0,1]=4 1059 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|1,0,0]=3 1060 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|1,0,0]=3 1061 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|1,0,0]=3 1062 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|1,0,0]=3 1063 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|1,0,1]=4 1064 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,2,0,0,0,0|2,0,0]=4 1065 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|2,0,0]=4 1066 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|1,0,0]=3 1067 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|1,0,0]=3 1068 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|0,0,0]=2 1069 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|0,0,0]=2 1070 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|0,0,0]=2 1071 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,2,0,0,0,0|2,0,0]=4 1072 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,2,0,0,0,0|2,0,0]=4 1073 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,2,0,0,0,0|2,0,0]=4 1074 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,2,0,0,0,0|2,0,0]=4 1075 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,2,0,0,0,0|2,0,0]=4 1076 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,2,0,0,0,0|2,0,0]=4 1077 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|0,0,0]=2 1078 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|0,0,0]=2 1079 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 1080 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 1081 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 1082 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,0]=3 1083 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|1,0,1]=4 1084 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|1,0,1]=4 1085 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|1,0,1]=4 1086 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,0]=3 1087 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,0]=3 1088 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 1089 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|1,0,0]=3 1090 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|1,0,0]=3 1091 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,2,0,0,0,0|2,0,0]=4 1092 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 1093 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|1,0,0]=3 1094 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|1,0,0]=3 1095 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|1,0,0]=3 1096 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,0]=3 1097 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1098 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1099 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|1,0,0]=3 1100 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|1,0,0]=3 1101 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,0]=3 1102 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|1,0,0]=3 1103 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|2,0,0]=4 1104 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 1105 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 1106 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 1107 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 1108 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 1109 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|1,0,0]=3 1110 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|1,0,0]=3 1111 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|1,0,0]=3 1112 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|1,0,0]=3 1113 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|1,0,0]=3 1114 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|1,0,0]=3 1115 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,0,0]=3 1116 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,0,0]=3 1117 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,0,0]=3 1118 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,0,0]=3 1119 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1120 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1121 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 1122 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 1123 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,0]=3 1124 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 1125 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|1,0,0]=3 1126 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,0,0]=3 1127 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,0,0]=3 1128 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,0,0]=3 1129 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,0,0]=3 1130 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,2,0,0,0,0|0,0,1]=3 1131 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,2,0,0,0,0|0,0,1]=3 1132 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,2,0,0,0,0|0,0,1]=3 1133 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,2,0,0,0,0|1,0,1]=4 1134 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,2,0,0,0,0|1,0,1]=4 1135 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|0,0,2]=4 1136 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|0,0,2]=4 1137 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|0,0,2]=4 1138 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|0,0,2]=4 1139 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,2,0,0,0,0|1,0,1]=4 1140 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,2,0,0,0,0|1,0,1]=4 1141 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,2,0,0,0,0|1,0,1]=4 1142 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,2,0,0,0,0|1,0,1]=4 1143 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,2,0,0,0,0|1,0,1]=4 1144 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,2,0,0,0,0|1,0,1]=4 1145 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|0,0,1]=3 1146 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,2,0,0,0,0|1,0,1]=4 1147 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|1,0,0]=3 1148 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|1,0,0]=3 1149 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,2,0,0,0,0|1,0,0]=3 1150 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,2,0,0,0,0|1,0,0]=3 1151 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,2,0,0,0,0|1,0,0]=3 1152 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|1,0,0]=3 1153 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|1,0,0]=3 1154 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|1,0,0]=3 1155 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,2,0,0,0,0|1,0,0]=3 1156 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,2,0,0,0,0|1,0,0]=3 1157 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,2,0,0,0,0|1,0,0]=3 1158 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,2,0,0,0,0|1,0,0]=3 1159 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,2,0,0,0,0|1,0,0]=3 1160 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,2,0,0,0,0|1,0,0]=3 1161 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,2,0,0,0,0|1,0,0]=3 1162 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,2,0,0,0,0|2,0,0]=4 1163 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,2,0,0,0,0|1,0,0]=3 1164 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,2,0,0,0,0|1,0,0]=3 1165 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,2,0,0,0,0|2,0,0]=4 1166 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,2,0,0,0,0|2,0,0]=4 1167 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,2,0,0,0,0|1,0,0]=3 1168 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,2,0,0,0,0|1,0,0]=3 1169 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,2,0,0,0,0|1,0,0]=3 1170 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,2,0,0,0,0|2,0,0]=4 1171 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,2,0,0,0,0|1,0,0]=3 1172 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,2,0,0,0,0|1,0,0]=3 1173 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,2,0,0,0,0|2,0,0]=4 1174 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,2,0,0,0,0|2,0,0]=4 1175 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|0,0,1]=3 1176 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|0,0,1]=3 1177 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|0,0,1]=3 1178 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,2,0,0,0,0|1,0,0]=3 1179 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,2,0,0,0,0|1,0,0]=3 1180 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,2,0,0,0,0|1,0,0]=3 1181 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,2,0,0,0,0|1,0,0]=3 1182 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,2,0,0,0,0|1,0,0]=3 1183 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,2,0,0,0,0|1,0,0]=3 1184 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|0,0,2]=4 1185 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|0,0,2]=4 1186 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|0,0,2]=4 1187 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,2,0,0,0,0|1,0,0]=3 1188 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,2,0,0,0,0|1,0,0]=3 1189 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,2,0,0,0,0|1,0,0]=3 1190 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,2,0,0,0,0|1,0,0]=3 1191 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,2,0,0,0,0|1,0,0]=3 1192 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,2,0,0,0,0|1,0,0]=3 1193 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,2,0,0,0,0|1,0,0]=3 1194 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|0,0,1]=3 1195 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|1,0,1]=4 1196 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|1,0,1]=4 1197 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|1,0,1]=4 1198 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|1,0,1]=4 1199 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|0,0,2]=4 1200 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,2,0,0,0,0|0,0,1]=3 1201 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,2,0,0,0,0|0,0,1]=3 1202 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|0,0,0]=2 1203 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|0,0,0]=2 1204 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 1205 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 1206 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|0,0,0]=2 1207 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|0,0,0]=2 1208 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|1,0,0]=3 1209 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|1,0,1]=4 1210 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|1,0,1]=4 1211 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 1212 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 1213 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 1214 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|1,0,0]=3 1215 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|1,0,0]=3 1216 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|1,0,0]=3 1217 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|1,0,0]=3 1218 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|1,0,0]=3 1219 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,2,0,0,0,0|0,0,2]=4 1220 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|1,0,1]=4 1221 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|0,0,2]=4 1222 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|0,0,2]=4 1223 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,2,0,0,0,0|0,1,1]=4 1224 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,2,0,0,0,0|0,1,1]=4 1225 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,2,0,0,0,0|1,0,1]=4 1226 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|1,0,1]=4 1227 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,2,0,0,0,0|1,0,1]=4 1228 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,2,0,0,0,0|1,0,1]=4 1229 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,2,0,0,0,0|1,0,1]=4 1230 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,2,0,0,0,0|0,0,0]=2 1231 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,2,0,0,0,0|0,0,0]=2 1232 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,2,0,0,0,0|1,0,1]=4 1233 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,2,0,0,0,0|1,0,1]=4 1234 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,2,0,0,0,0|1,0,1]=4 1235 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,2,0,0,0,0|0,0,2]=4 1236 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,2,0,0,0,0|0,0,2]=4 1237 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,2,0,0,0,0|0,0,2]=4 1238 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,2,0,0,0,0|0,0,2]=4 1239 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,2,0,0,0,0|0,0,0]=2 1240 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 1241 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,2,0,0,0,0|1,0,1]=4 1242 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,2,0,0,0,0|1,0,1]=4 1243 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|0,0,2]=4 1244 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,2,0,0,0,0|2,0,0]=4 1245 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,2,0,0,0,0|2,0,0]=4 1246 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,2,0,0,0,0|1,0,1]=4 1247 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,2,0,0,0,0|1,0,1]=4 1248 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,2,0,0,0,0|0,0,0]=2 1249 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,2,0,0,0,0|0,0,0]=2 1250 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,2,0,0,0,0|1,0,1]=4 1251 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,2,0,0,0,0|1,0,1]=4 1252 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,2,0,0,0,0|0,0,2]=4 1253 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,2,0,0,0,0|0,0,2]=4 1254 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|1,0,1]=4 1255 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,2,0,0,0,0|0,0,2]=4 1256 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,2,0,0,0,0|0,0,2]=4 1257 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,2,0,0,0,0|0,0,2]=4 1258 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,2,0,0,0,0|1,0,1]=4 1259 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,2,0,0,0,0|1,0,1]=4 1260 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,2,0,0,0,0|1,0,1]=4 1261 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|0,0,1]=3 1262 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|0,0,1]=3 1263 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|0,0,1]=3 1264 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,2,0,0,0,0|1,0,1]=4 1265 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|1,0,1]=4 1266 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,2,0,0,0,0|2,0,0]=4 1267 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|0,0,1]=3 1268 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|0,0,1]=3 1269 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|0,0,1]=3 1270 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|0,0,1]=3 1271 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|0,0,0]=2 1272 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|0,0,0]=2 1273 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|0,0,0]=2 1274 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,2,0,0,0,0|1,0,1]=4 1275 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,2,0,0,0,0|1,0,1]=4 1276 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,2,0,0,0,0|1,0,1]=4 1277 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,2,0,0,0,0|1,0,1]=4 1278 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,2,0,0,0,0|1,0,1]=4 1279 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,2,0,0,0,0|1,0,1]=4 1280 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|0,0,0]=2 1281 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|0,0,0]=2 1282 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|0,0,0]=2 1283 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|0,0,0]=2 1284 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,2,0,0,0,0|1,0,1]=4 1285 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,2,0,0,0,0|1,0,1]=4 1286 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,2,0,0,0,0|1,0,1]=4 1287 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,2,0,0,0,0|1,0,1]=4 1288 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,2,0,0,0,0|1,0,1]=4 1289 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,2,0,0,0,0|1,0,1]=4 1290 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|0,0,0]=2 1291 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|0,0,0]=2 1292 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|0,0,0]=2 1293 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,2,0,0,0,0|1,0,1]=4 1294 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,2,0,0,0,0|1,0,1]=4 1295 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,2,0,0,0,0|1,0,1]=4 1296 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,2,0,0,0,0|1,0,1]=4 1297 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,2,0,0,0,0|0,0,2]=4 1298 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,2,0,0,0,0|0,0,2]=4 1299 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,2,0,0,0,0|0,0,2]=4 1300 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,2,0,0,0,0|1,0,1]=4 1301 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,2,0,0,0,0|1,0,1]=4 1302 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,2,0,0,0,0|0,0,2]=4 1303 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|1,0,0]=3 1304 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|0,0,0]=2 1305 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|0,0,0]=2 1306 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|0,0,0]=2 1307 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|0,0,0]=2 1308 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|0,0,0]=2 1309 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|1,0,1]=4 1310 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|1,0,1]=4 1311 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|1,0,1]=4 1312 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|1,0,1]=4 1313 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|0,0,2]=4 1314 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,2,0,0,0,0|1,0,1]=4 1315 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,2,0,0,0,0|1,0,1]=4 1316 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,2,0,0,0,0|2,0,0]=4 1317 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|1,0,1]=4 1318 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 1319 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|0,0,2]=4 1320 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,2,0,0,0,0|1,0,0]=3 1321 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|0,0,0]=2 1322 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|0,0,0]=2 1323 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|0,0,0]=2 1324 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|0,0,0]=2 1325 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|0,0,0]=2 1326 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|0,0,0]=2 1327 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,2,0,0,0,0|1,0,1]=4 1328 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,2,0,0,0,0|1,0,1]=4 1329 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,2,0,0,0,0|0,0,2]=4 1330 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,2,0,0,0,0|0,0,2]=4 1331 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,2,0,0,0,0|1,0,1]=4 1332 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,2,0,0,0,0|1,0,1]=4 1333 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,2,0,0,0,0|0,0,2]=4 1334 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,2,0,0,0,0|0,0,2]=4 1335 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,2,0,0,0,0|1,0,0]=3 1336 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,2,0,0,0,0|1,0,1]=4 1337 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,2,0,0,0,0|1,0,1]=4 1338 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,2,0,0,0,0|1,0,1]=4 1339 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,2,0,0,0,0|1,0,1]=4 1340 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,2,0,0,0,0|1,0,1]=4 1341 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,2,0,0,0,0|0,0,2]=4 1342 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,2,0,0,0,0|0,0,2]=4 1343 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,2,0,0,0,0|0,0,2]=4 1344 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,2,0,0,0,0|0,0,2]=4 1345 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,2,0,0,0,0|2,0,0]=4 1346 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,2,0,0,0,0|1,0,1]=4 1347 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,2,0,0,0,0|0,0,2]=4 1348 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,2,0,0,0,0|0,0,2]=4 1349 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|1,0,1]=4 1350 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|1,0,1]=4 1351 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|1,0,1]=4 1352 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|1,0,1]=4 1353 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|0,0,0]=2 1354 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|0,0,0]=2 1355 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|0,0,0]=2 1356 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|0,0,0]=2 1357 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,2,0,0,0,0|1,0,1]=4 1358 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,2,0,0,0,0|1,0,1]=4 1359 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,2,0,0,0,0|1,0,1]=4 1360 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,2,0,0,0,0|1,0,1]=4 1361 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,2,0,0,0,0|0,0,2]=4 1362 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,2,0,0,0,0|0,0,2]=4 1363 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,2,0,0,0,0|0,0,2]=4 1364 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,2,0,0,0,0|0,0,2]=4 1365 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,2,0,0,0,0|2,0,0]=4 1366 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|1,0,0]=3 1367 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,2,0,0,0,0|2,0,0]=4 1368 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,2,0,0,0,0|2,0,0]=4 1369 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,0]=3 1370 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|0,0,2]=4 1371 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|0,0,2]=4 1372 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|1,0,1]=4 1373 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|1,0,1]=4 1374 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|0,0,0]=2 1375 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|0,0,0]=2 1376 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 1377 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 1378 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|0,0,0]=2 1379 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|0,0,0]=2 1380 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|0,0,0]=2 1381 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|0,0,0]=2 1382 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,2,0,0,0,0|0,0,2]=4 1383 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|0,0,2]=4 1384 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|0,0,2]=4 1385 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|0,0,2]=4 1386 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|0,0,2]=4 1387 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,2,0,0,0,0|1,0,1]=4 1388 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1389 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,2,0,0,0,0|2,0,0]=4 1390 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1391 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,2,0,0,0,0|2,0,0]=4 1392 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1393 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1394 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|0,0,2]=4 1395 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|2,0,0]=4 1396 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|1,0,0]=3 1397 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|2,0,0]=4 1398 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|2,0,0]=4 1399 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|2,0,0]=4 1400 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|1,0,1]=4 1401 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|1,0,1]=4 1402 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|0,0,0]=2 1403 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|0,0,0]=2 1404 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|0,0,0]=2 1405 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|0,0,0]=2 1406 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|0,0,0]=2 1407 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|0,0,0]=2 1408 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|0,0,0]=2 1409 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,2,0,0,0,0|0,1,1]=4 1410 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,2,0,0,0,0|0,1,1]=4 1411 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,2,0,0,0,0|0,0,2]=4 1412 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,2,0,0,0,0|0,0,2]=4 1413 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,2,0,0,0,0|2,0,0]=4 1414 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,2,0,0,0,0|2,0,0]=4 1415 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,2,0,0,0,0|2,0,0]=4 1416 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,2,0,0,0,0|2,0,0]=4 1417 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,2,0,0,0,0|2,0,0]=4 1418 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,2,0,0,0,0|2,0,0]=4 1419 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,2,0,0,0,0|2,0,0]=4 1420 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,2,0,0,0,0|2,0,0]=4 1421 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,2,0,0,0,0|2,0,0]=4 1422 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|1,0,0]=3 1423 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|1,0,0]=3 1424 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,2,0,0,0,0|2,0,0]=4 1425 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,2,0,0,0,0|2,0,0]=4 1426 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,2,0,0,0,0|2,0,0]=4 1427 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,2,0,0,0,0|2,0,0]=4 1428 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,2,0,0,0,0|2,0,0]=4 1429 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|1,0,1]=4 1430 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|0,0,2]=4 1431 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,0,1]=4 1432 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,2,0,0,0,0|1,0,1]=4 1433 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,2,0,0,0,0|1,0,1]=4 1434 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,0,0]=3 1435 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,0,0]=3 1436 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|1,0,0]=3 1437 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,0,0]=3 1438 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,0,0]=3 1439 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,2,0,0,0,0|2,0,0]=4 1440 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|0,0,2]=4 1441 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,2,0,0,0,0|0,0,1]=3 1442 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,0]=3 1443 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|0,0,0]=2 1444 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|0,0,0]=2 1445 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,2,0,0,0,0|1,0,1]=4 1446 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|0,0,0]=2 1447 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|0,0,0]=2 1448 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,2,0,0,0,0|2,0,0]=4 1449 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,2,0,0,0,0|2,0,0]=4 1450 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,2,0,0,0,0|2,0,0]=4 1451 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,2,0,0,0,0|2,0,0]=4 1452 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|2,0,0]=4 1453 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,2,0,0,0,0|2,0,0]=4 1454 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,2,0,0,0,0|2,0,0]=4 1455 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|2,0,0]=4 1456 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|2,0,0]=4 1457 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|2,0,0]=4 1458 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,2,0,0,0,0|2,0,0]=4 1459 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|2,0,0]=4 1460 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,2,0,0,0,0|2,0,0]=4 1461 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,2,0,0,0,0|2,0,0]=4 1462 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,2,0,0,0,0|2,0,0]=4 1463 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,2,0,0,0,0|2,0,0]=4 1464 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,2,0,0,0,0|2,0,0]=4 1465 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|2,0,0]=4 1466 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|2,0,0]=4 1467 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|2,0,0]=4 1468 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,2,0,0,0,0|2,0,0]=4 1469 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|2,0,0]=4 1470 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|2,0,0]=4 1471 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|2,0,0]=4 1472 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|2,0,0]=4 1473 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,2,0,0,0,0|2,0,0]=4 1474 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,2,0,0,0,0|2,0,0]=4 1475 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,2,0,0,0,0|2,0,0]=4 1476 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,2,0,0,0,0|2,0,0]=4 1477 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,2,0,0,0,0|2,0,0]=4 1478 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,2,0,0,0,0|2,0,0]=4 1479 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|2,0,0]=4 1480 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|2,0,0]=4 1481 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,2,0,0,0,0|2,0,0]=4 1482 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,2,0,0,0,0|2,0,0]=4 1483 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,2,0,0,0,0|2,0,0]=4 1484 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,2,0,0,0,0|2,0,0]=4 1485 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,2,0,0,0,0|2,0,0]=4 1486 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,2,0,0,0,0|2,0,0]=4 1487 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,2,0,0,0,0|2,0,0]=4 1488 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,2,0,0,0,0|2,0,0]=4 1489 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,2,0,0,0,0|1,0,1]=4 1490 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1491 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,2,0,0,0,0|1,0,1]=4 1492 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,2,0,0,0,0|1,0,1]=4 1493 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1494 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,2,0,0,0,0|1,0,1]=4 1495 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,2,0,0,0,0|1,0,1]=4 1496 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,2,0,0,0,0|1,0,1]=4 1497 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,2,0,0,0,0|1,0,1]=4 1498 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,2,0,0,0,0|1,0,1]=4 1499 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,2,0,0,0,0|1,0,1]=4 1500 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,2,0,0,0,0|1,0,1]=4 1501 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,2,0,0,0,0|1,0,1]=4 1502 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,2,0,0,0,0|1,0,1]=4 1503 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,2,0,0,0,0|1,0,1]=4 1504 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,2,0,0,0,0|1,0,1]=4 1505 B6R0.6 C#CCCNCF 34a_100000755551_100015361967 [0,2,0,0,0,0|1,0,1]=4 1506 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,2,0,0,0,0|1,0,1]=4 1507 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,2,0,0,0,0|1,0,1]=4 1508 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,2,0,0,0,0|1,0,1]=4 1509 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,2,0,0,0,0|1,0,1]=4 1510 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,2,0,0,0,0|1,0,1]=4 1511 B6R0.6 C#CCCSCF 62a_100000688953_100015361967 [0,2,0,0,0,0|1,0,1]=4 1512 B6R0.6 C#CCCSCF 62a_100015361967_100000688953 [0,2,0,0,0,0|1,0,1]=4 1513 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,2,0,0,0,0|1,0,1]=4 1514 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,2,0,0,0,0|1,0,1]=4 1515 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,2,0,0,0,0|0,0,1]=3 1516 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,2,0,0,0,0|1,0,1]=4 1517 B6R0.6 C#CCNCCF 34a_100000212058_100011217306 [0,2,0,0,0,0|1,0,1]=4 1518 B6R0.6 C#CCNCCF 34a_100000724931_100000184674 [0,2,0,0,0,0|1,0,1]=4 1519 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,2,0,0,0,0|1,0,1]=4 1520 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,2,0,0,0,0|1,0,1]=4 1521 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,2,0,0,0,0|1,0,1]=4 1522 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,2,0,0,0,0|1,0,1]=4 1523 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [0,2,0,0,0,0|1,0,1]=4 1524 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [0,2,0,0,0,0|1,0,1]=4 1525 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,2,0,0,0,0|0,0,1]=3 1526 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,2,0,0,0,0|1,0,1]=4 1527 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,2,0,0,0,0|1,0,1]=4 1528 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,2,0,0,0,0|1,0,1]=4 1529 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,2,0,0,0,0|1,0,1]=4 1530 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,2,0,0,0,0|1,0,1]=4 1531 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,2,0,0,0,0|1,0,1]=4 1532 B6R0.6 C#CCOCSC 34a_100000210247_100011218213 [0,2,0,0,0,0|1,0,1]=4 1533 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,2,0,0,0,0|1,0,1]=4 1534 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,2,0,0,0,0|0,0,1]=3 1535 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,2,0,0,0,0|1,0,1]=4 1536 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,2,0,0,0,0|1,0,1]=4 1537 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,2,0,0,0,0|1,0,1]=4 1538 B6R0.6 C#CCSCOC 62a_100000038162_100000766300 [0,2,0,0,0,0|1,0,1]=4 1539 B6R0.6 C#CCSCSC 62a_100000038162_100011218213 [0,2,0,0,0,0|1,0,1]=4 1540 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,2,0,0,0,0|1,0,0]=3 1541 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,2,0,0,0,0|1,0,0]=3 1542 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,2,0,0,0,0|1,0,0]=3 1543 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,2,0,0,0,0|1,0,0]=3 1544 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,2,0,0,0,0|1,0,1]=4 1545 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,2,0,0,0,0|1,0,0]=3 1546 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,2,0,0,0,0|1,0,0]=3 1547 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [0,2,0,0,0,0|1,0,1]=4 1548 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [0,2,0,0,0,0|1,0,1]=4 1549 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1550 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,2,0,0,0,0|1,0,0]=3 1551 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,2,0,0,0,0|1,0,0]=3 1552 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,2,0,0,0,0|1,0,0]=3 1553 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,2,0,0,0,0|1,0,0]=3 1554 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1555 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,2,0,0,0,0|1,0,0]=3 1556 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,2,0,0,0,0|1,0,0]=3 1557 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,2,0,0,0,0|1,0,0]=3 1558 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,2,0,0,0,0|1,0,0]=3 1559 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,2,0,0,0,0|1,0,0]=3 1560 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,2,0,0,0,0|1,0,0]=3 1561 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,2,0,0,0,0|1,0,0]=3 1562 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,2,0,0,0,0|1,0,0]=3 1563 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,2,0,0,0,0|1,0,0]=3 1564 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,2,0,0,0,0|1,0,0]=3 1565 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,2,0,0,0,0|1,0,0]=3 1566 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,2,0,0,0,0|1,0,0]=3 1567 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,2,0,0,0,0|1,0,0]=3 1568 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,2,0,0,0,0|1,0,0]=3 1569 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,2,0,0,0,0|1,0,0]=3 1570 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,2,0,0,0,0|1,0,0]=3 1571 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,2,0,0,0,0|1,0,0]=3 1572 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,2,0,0,0,0|1,0,0]=3 1573 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,2,0,0,0,0|1,0,0]=3 1574 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,2,0,0,0,0|1,0,1]=4 1575 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,2,0,0,0,0|1,0,1]=4 1576 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,2,0,0,0,0|0,0,1]=3 1577 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,2,0,0,0,0|1,0,0]=3 1578 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,2,0,0,0,0|1,0,0]=3 1579 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,2,0,0,0,0|1,0,0]=3 1580 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,2,0,0,0,0|1,0,0]=3 1581 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,2,0,0,0,0|1,0,0]=3 1582 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,2,0,0,0,0|1,0,0]=3 1583 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,2,0,0,0,0|1,0,0]=3 1584 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,2,0,0,0,0|1,0,0]=3 1585 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,2,0,0,0,0|1,0,1]=4 1586 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,2,0,0,0,0|0,0,1]=3 1587 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,2,0,0,0,0|1,0,0]=3 1588 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,2,0,0,0,0|1,0,0]=3 1589 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,2,0,0,0,0|1,0,0]=3 1590 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,2,0,0,0,0|1,0,0]=3 1591 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,2,0,0,0,0|1,0,0]=3 1592 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,2,0,0,0,0|1,0,0]=3 1593 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,2,0,0,0,0|1,0,0]=3 1594 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,2,0,0,0,0|1,0,1]=4 1595 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,2,0,0,0,0|1,0,1]=4 1596 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,2,0,0,0,0|1,0,1]=4 1597 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,2,0,0,0,0|0,0,1]=3 1598 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,2,0,0,0,0|0,0,1]=3 1599 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,2,0,0,0,0|1,0,0]=3 1600 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,2,0,0,0,0|1,0,0]=3 1601 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,2,0,0,0,0|1,0,0]=3 1602 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,2,0,0,0,0|1,0,0]=3 1603 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,2,0,0,0,0|1,0,0]=3 1604 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,2,0,0,0,0|1,0,0]=3 1605 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,2,0,0,0,0|1,0,0]=3 1606 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,2,0,0,0,0|1,0,0]=3 1607 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,2,0,0,0,0|1,0,0]=3 1608 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,2,0,0,0,0|1,0,0]=3 1609 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,2,0,0,0,0|1,0,0]=3 1610 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,2,0,0,0,0|1,0,0]=3 1611 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,2,0,0,0,0|1,0,0]=3 1612 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1613 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,2,0,0,0,0|1,0,0]=3 1614 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1615 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,2,0,0,0,0|1,0,0]=3 1616 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,2,0,0,0,0|1,0,0]=3 1617 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,2,0,0,0,0|1,0,0]=3 1618 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,2,0,0,0,0|1,0,0]=3 1619 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,2,0,0,0,0|1,0,1]=4 1620 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,2,0,0,0,0|1,0,1]=4 1621 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,2,0,0,0,0|1,0,1]=4 1622 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,2,0,0,0,0|1,0,1]=4 1623 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,2,0,0,0,0|1,0,1]=4 1624 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,2,0,0,0,0|1,0,1]=4 1625 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,2,0,0,0,0|1,0,1]=4 1626 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,2,0,0,0,0|1,0,1]=4 1627 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,2,0,0,0,0|1,0,1]=4 1628 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,2,0,0,0,0|1,0,1]=4 1629 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,2,0,0,0,0|1,0,1]=4 1630 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,2,0,0,0,0|1,0,1]=4 1631 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,2,0,0,0,0|0,0,2]=4 1632 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,2,0,0,0,0|0,0,2]=4 1633 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,2,0,0,0,0|0,0,2]=4 1634 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,2,0,0,0,0|0,1,1]=4 1635 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,2,0,0,0,0|0,1,1]=4 1636 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,2,0,0,0,0|0,1,1]=4 1637 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,2,0,0,0,0|0,1,1]=4 1638 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,2,0,0,0,0|1,0,0]=3 1639 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,2,0,0,0,0|1,0,0]=3 1640 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,2,0,0,0,0|1,0,0]=3 1641 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,2,0,0,0,0|1,0,0]=3 1642 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [0,2,0,0,0,0|1,0,1]=4 1643 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [0,2,0,0,0,0|1,0,1]=4 1644 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,2,0,0,0,0|1,0,0]=3 1645 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,2,0,0,0,0|2,0,0]=4 1646 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,2,0,0,0,0|2,0,0]=4 1647 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,2,0,0,0,0|2,0,0]=4 1648 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,2,0,0,0,0|2,0,0]=4 1649 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,2,0,0,0,0|2,0,0]=4 1650 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,2,0,0,0,0|2,0,0]=4 1651 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,2,0,0,0,0|2,0,0]=4 1652 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,2,0,0,0,0|2,0,0]=4 1653 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,2,0,0,0,0|2,0,0]=4 1654 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,2,0,0,0,0|2,0,0]=4 1655 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,2,0,0,0,0|2,0,0]=4 1656 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,2,0,0,0,0|2,0,0]=4 1657 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1658 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,2,0,0,0,0|1,0,1]=4 1659 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,2,0,0,0,0|1,0,1]=4 1660 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,2,0,0,0,0|1,0,1]=4 1661 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1662 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,2,0,0,0,0|0,0,2]=4 1663 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,2,0,0,0,0|0,0,2]=4 1664 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,2,0,0,0,0|0,0,2]=4 1665 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,2,0,0,0,0|0,0,2]=4 1666 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,2,0,0,0,0|0,0,2]=4 1667 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,2,0,0,0,0|0,1,1]=4 1668 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,2,0,0,0,0|0,1,1]=4 1669 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,2,0,0,0,0|0,1,1]=4 1670 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,2,0,0,0,0|0,1,1]=4 1671 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,2,0,0,0,0|1,0,1]=4 1672 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,2,0,0,0,0|1,0,1]=4 1673 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,2,0,0,0,0|1,0,1]=4 1674 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,2,0,0,0,0|1,0,1]=4 1675 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,2,0,0,0,0|0,0,2]=4 1676 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,2,0,0,0,0|0,0,2]=4 1677 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,2,0,0,0,0|0,0,2]=4 1678 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,2,0,0,0,0|0,0,2]=4 1679 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,2,0,0,0,0|0,0,2]=4 1680 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,2,0,0,0,0|0,1,1]=4 1681 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,2,0,0,0,0|0,1,1]=4 1682 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,2,0,0,0,0|0,1,1]=4 1683 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,2,0,0,0,0|0,1,1]=4 1684 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,2,0,0,0,0|1,0,1]=4 1685 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,2,0,0,0,0|0,0,2]=4 1686 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,2,0,0,0,0|0,0,2]=4 1687 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,2,0,0,0,0|0,0,0]=2 1688 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,2,0,0,0,0|1,0,1]=4 1689 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,2,0,0,0,0|1,0,1]=4 1690 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,2,0,0,0,0|1,0,1]=4 1691 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,2,0,0,0,0|1,0,1]=4 1692 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,2,0,0,0,0|0,0,2]=4 1693 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,2,0,0,0,0|0,1,1]=4 1694 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,2,0,0,0,0|1,0,1]=4 1695 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,2,0,0,0,0|1,0,1]=4 1696 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,2,0,0,0,0|0,0,0]=2 1697 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,2,0,0,0,0|0,0,0]=2 1698 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,2,0,0,0,0|1,0,1]=4 1699 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,2,0,0,0,0|1,0,1]=4 1700 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,2,0,0,0,0|1,0,1]=4 1701 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,2,0,0,0,0|0,0,2]=4 1702 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,2,0,0,0,0|0,0,2]=4 1703 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,2,0,0,0,0|0,0,2]=4 1704 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,2,0,0,0,0|0,0,2]=4 1705 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,2,0,0,0,0|0,1,1]=4 1706 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,2,0,0,0,0|0,1,1]=4 1707 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,2,0,0,0,0|1,0,1]=4 1708 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,2,0,0,0,0|1,0,1]=4 1709 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,2,0,0,0,0|1,0,1]=4 1710 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,2,0,0,0,0|1,0,1]=4 1711 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,2,0,0,0,0|0,0,2]=4 1712 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,2,0,0,0,0|0,0,2]=4 1713 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,2,0,0,0,0|0,0,2]=4 1714 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,2,0,0,0,0|0,1,1]=4 1715 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,2,0,0,0,0|0,1,1]=4 1716 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,2,0,0,0,0|1,0,1]=4 1717 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,2,0,0,0,0|1,0,1]=4 1718 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,2,0,0,0,0|1,0,1]=4 1719 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,2,0,0,0,0|1,0,1]=4 1720 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,2,0,0,0,0|1,0,1]=4 1721 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,2,0,0,0,0|0,0,2]=4 1722 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,2,0,0,0,0|1,0,1]=4 1723 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,2,0,0,0,0|1,0,1]=4 1724 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,2,0,0,0,0|1,0,1]=4 1725 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,2,0,0,0,0|1,0,1]=4 1726 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,2,0,0,0,0|1,0,1]=4 1727 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,2,0,0,0,0|1,0,1]=4 1728 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,2,0,0,0,0|1,0,1]=4 1729 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,2,0,0,0,0|0,0,2]=4 1730 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,2,0,0,0,0|0,0,2]=4 1731 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,2,0,0,0,0|0,0,2]=4 1732 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,2,0,0,0,0|0,0,2]=4 1733 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,2,0,0,0,0|0,0,2]=4 1734 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,2,0,0,0,0|0,0,2]=4 1735 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,2,0,0,0,0|0,0,2]=4 1736 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,2,0,0,0,0|0,0,2]=4 1737 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,2,0,0,0,0|0,1,1]=4 1738 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,2,0,0,0,0|0,1,1]=4 1739 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,2,0,0,0,0|0,1,1]=4 1740 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,2,0,0,0,0|0,1,1]=4 1741 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,2,0,0,0,0|0,1,1]=4 1742 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,2,0,0,0,0|0,1,1]=4 1743 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,2,0,0,0,0|0,1,1]=4 1744 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,2,0,0,0,0|1,0,1]=4 1745 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,2,0,0,0,0|1,0,1]=4 1746 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,2,0,0,0,0|1,0,1]=4 1747 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,2,0,0,0,0|1,0,1]=4 1748 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,2,0,0,0,0|1,0,1]=4 1749 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,2,0,0,0,0|1,0,1]=4 1750 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,2,0,0,0,0|1,0,1]=4 1751 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,2,0,0,0,0|1,0,1]=4 1752 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,2,0,0,0,0|0,0,2]=4 1753 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,2,0,0,0,0|0,0,2]=4 1754 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,2,0,0,0,0|1,0,1]=4 1755 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,2,0,0,0,0|1,0,1]=4 1756 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,2,0,0,0,0|1,0,1]=4 1757 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,2,0,0,0,0|1,0,1]=4 1758 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,2,0,0,0,0|1,0,1]=4 1759 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,2,0,0,0,0|0,0,2]=4 1760 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,2,0,0,0,0|0,0,2]=4 1761 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,2,0,0,0,0|0,0,2]=4 1762 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,2,0,0,0,0|0,0,2]=4 1763 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,2,0,0,0,0|0,0,2]=4 1764 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,2,0,0,0,0|0,0,2]=4 1765 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,2,0,0,0,0|0,0,2]=4 1766 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,2,0,0,0,0|0,1,1]=4 1767 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,2,0,0,0,0|0,1,1]=4 1768 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,2,0,0,0,0|0,1,1]=4 1769 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,2,0,0,0,0|0,1,1]=4 1770 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,2,0,0,0,0|0,1,1]=4 1771 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,2,0,0,0,0|0,1,1]=4 1772 B6R0.6 CCSCSC#N 62a_100000210202_100000211825 [0,2,0,0,0,0|1,0,1]=4 1773 B6R0.6 CCSCSC#N 62a_100000211825_100000210202 [0,2,0,0,0,0|1,0,1]=4 1774 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,2,0,0,0,0|1,0,1]=4 1775 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,2,0,0,0,0|1,0,1]=4 1776 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,2,0,0,0,0|0,0,0]=2 1777 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,2,0,0,0,0|0,0,0]=2 1778 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,2,0,0,0,0|1,0,1]=4 1779 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,2,0,0,0,0|1,0,1]=4 1780 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,2,0,0,0,0|1,0,1]=4 1781 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,2,0,0,0,0|0,0,2]=4 1782 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,2,0,0,0,0|0,0,2]=4 1783 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,2,0,0,0,0|0,0,2]=4 1784 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,2,0,0,0,0|0,0,2]=4 1785 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,2,0,0,0,0|0,0,2]=4 1786 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,2,0,0,0,0|0,0,2]=4 1787 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,2,0,0,0,0|0,0,2]=4 1788 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,2,0,0,0,0|0,0,2]=4 1789 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,2,0,0,0,0|0,0,2]=4 1790 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,2,0,0,0,0|0,0,2]=4 1791 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,2,0,0,0,0|0,0,2]=4 1792 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,2,0,0,0,0|0,1,1]=4 1793 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,2,0,0,0,0|0,0,2]=4 1794 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,2,0,0,0,0|0,0,2]=4 1795 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,2,0,0,0,0|0,0,2]=4 1796 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,2,0,0,0,0|0,0,2]=4 1797 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,2,0,0,0,0|0,0,2]=4 1798 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,2,0,0,0,0|0,0,2]=4 1799 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,2,0,0,0,0|0,0,2]=4 1800 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,2,0,0,0,0|0,0,2]=4 1801 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,2,0,0,0,0|0,0,2]=4 1802 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,2,0,0,0,0|0,0,2]=4 1803 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,2,0,0,0,0|0,0,2]=4 1804 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,2,0,0,0,0|0,0,2]=4 1805 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,2,0,0,0,0|0,0,2]=4 1806 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,2,0,0,0,0|0,0,2]=4 1807 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,2,0,0,0,0|0,0,2]=4 1808 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,2,0,0,0,0|0,0,2]=4 1809 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,2,0,0,0,0|0,0,2]=4 1810 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,2,0,0,0,0|0,0,2]=4 1811 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,2,0,0,0,0|0,0,2]=4 1812 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,2,0,0,0,0|1,0,1]=4 1813 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,2,0,0,0,0|1,0,1]=4 1814 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,2,0,0,0,0|1,0,1]=4 1815 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,2,0,0,0,0|0,0,2]=4 1816 B6R0.6 COCSCC#N 62a_100000766300_100011215382 [0,2,0,0,0,0|1,0,1]=4 1817 B6R0.6 COCSCC#N 62a_100011215382_100000766300 [0,2,0,0,0,0|1,0,1]=4 1818 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,2,0,0,0,0|0,0,0]=2 1819 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,2,0,0,0,0|0,0,0]=2 1820 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,2,0,0,0,0|1,0,1]=4 1821 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,2,0,0,0,0|1,0,1]=4 1822 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,2,0,0,0,0|0,0,2]=4 1823 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,2,0,0,0,0|0,0,2]=4 1824 B6R0.6 COCSCOC 62a_100000766300_100000766300 [0,2,0,0,0,0|2,0,0]=4 1825 B6R0.6 COCSCSC 62a_100000766300_100011218213 [0,2,0,0,0,0|2,0,0]=4 1826 B6R0.6 COCSCSC 62a_100011218213_100000766300 [0,2,0,0,0,0|2,0,0]=4 1827 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,2,0,0,0,0|1,0,1]=4 1828 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,2,0,0,0,0|1,0,1]=4 1829 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,2,0,0,0,0|0,0,0]=2 1830 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,2,0,0,0,0|0,0,0]=2 1831 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,2,0,0,0,0|0,1,1]=4 1832 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,2,0,0,0,0|0,1,1]=4 1833 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,2,0,0,0,0|0,0,2]=4 1834 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,2,0,0,0,0|0,0,2]=4 1835 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,2,0,0,0,0|0,1,1]=4 1836 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,2,0,0,0,0|0,0,2]=4 1837 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,2,0,0,0,0|0,0,2]=4 1838 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,2,0,0,0,0|1,0,1]=4 1839 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,2,0,0,0,0|1,0,1]=4 1840 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,2,0,0,0,0|1,0,1]=4 1841 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,2,0,0,0,0|1,0,1]=4 1842 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,2,0,0,0,0|1,0,1]=4 1843 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,2,0,0,0,0|1,0,1]=4 1844 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,2,0,0,0,0|1,0,1]=4 1845 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,2,0,0,0,0|0,0,2]=4 1846 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,2,0,0,0,0|0,0,2]=4 1847 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,2,0,0,0,0|1,0,1]=4 1848 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,2,0,0,0,0|1,0,1]=4 1849 B6R0.6 CSCSCC#N 62a_100011215382_100011218213 [0,2,0,0,0,0|1,0,1]=4 1850 B6R0.6 CSCSCC#N 62a_100011218213_100011215382 [0,2,0,0,0,0|1,0,1]=4 1851 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,2,0,0,0,0|0,0,0]=2 1852 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,2,0,0,0,0|0,0,0]=2 1853 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,2,0,0,0,0|1,0,1]=4 1854 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,2,0,0,0,0|1,0,1]=4 1855 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,2,0,0,0,0|0,0,2]=4 1856 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,2,0,0,0,0|0,0,2]=4 1857 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [0,2,0,0,0,0|2,0,0]=4 1858 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,2,0,0,0,0|1,0,1]=4 1859 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,2,0,0,0,0|1,0,1]=4 1860 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,2,0,0,0,0|1,0,1]=4 1861 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,2,0,0,0,0|1,0,1]=4 1862 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,2,0,0,0,0|1,0,1]=4 1863 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,2,0,0,0,0|1,0,1]=4 1864 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,2,0,0,0,0|1,0,1]=4 1865 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,2,0,0,0,0|1,0,1]=4 1866 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,2,0,0,0,0|1,0,1]=4 1867 B6R0.6 N#CCCSCF 62a_100011215226_100015361967 [0,2,0,0,0,0|1,0,1]=4 1868 B6R0.6 N#CCCSCF 62a_100015361967_100011215226 [0,2,0,0,0,0|1,0,1]=4 1869 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,2,0,0,0,0|1,0,1]=4 1870 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,2,0,0,0,0|0,0,1]=3 1871 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,2,0,0,0,0|0,0,1]=3 1872 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,2,0,0,0,0|1,0,1]=4 1873 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,2,0,0,0,0|1,0,1]=4 1874 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,2,0,0,0,0|1,0,1]=4 1875 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,2,0,0,0,0|1,0,1]=4 1876 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,2,0,0,0,0|1,0,1]=4 1877 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,2,0,0,0,0|0,0,0]=2 1878 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,2,0,0,0,0|1,0,1]=4 1879 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,2,0,0,0,0|0,0,2]=4 1880 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,2,0,0,0,0|2,0,0]=4 1881 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,2,0,0,0,0|0,0,0]=2 1882 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,2,0,0,0,0|0,0,0]=2 1883 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,2,0,0,0,0|0,0,0]=2 1884 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,2,0,0,0,0|0,0,0]=2 1885 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,2,0,0,0,0|0,0,1]=3 1886 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,2,0,0,0,0|0,0,0]=2 1887 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,2,0,0,0,0|0,0,0]=2 1888 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,2,0,0,0,0|0,0,0]=2 1889 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,2,0,0,0,0|0,0,0]=2 1890 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,2,0,0,0,0|0,0,2]=4 1891 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,2,0,0,0,0|0,0,2]=4 1892 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,2,0,0,0,0|0,0,2]=4 1893 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,2,0,0,0,0|0,0,2]=4 1894 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,2,0,0,0,0|0,0,2]=4 1895 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,2,0,0,0,0|0,0,2]=4 1896 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,2,0,0,0,0|0,0,2]=4 1897 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,2,0,0,0,0|0,0,2]=4 1898 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,2,0,0,0,0|0,0,2]=4 1899 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,2,0,0,0,0|0,0,2]=4 1900 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,2,0,0,0,0|0,0,2]=4 1901 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,2,0,0,0,0|0,0,2]=4 1902 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,2,0,0,0,0|0,0,2]=4 1903 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,2,0,0,0,0|0,0,2]=4 1904 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,2,0,0,0,0|0,0,2]=4 1905 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,2,0,0,0,0|0,0,2]=4 1906 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,2,0,0,0,0|0,0,2]=4 1907 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,2,0,0,0,0|0,0,2]=4 1908 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,2,0,0,0,0|0,0,2]=4 1909 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,2,0,0,0,0|0,0,2]=4 1910 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,2,0,0,0,0|1,0,1]=4 1911 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,2,0,0,0,0|1,0,1]=4 1912 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,2,0,0,0,0|0,0,0]=2 1913 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,2,0,0,0,0|0,0,0]=2 1914 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,2,0,0,0,0|0,1,1]=4 1915 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,2,0,0,0,0|0,1,1]=4 1916 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,2,0,0,0,0|0,0,2]=4 1917 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,2,0,0,0,0|0,0,2]=4 1918 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,2,0,0,0,0|1,0,1]=4 1919 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,2,0,0,0,0|1,0,1]=4 1920 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1921 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1922 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1923 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1924 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,2,0,0,0,0|2,0,0]=4 1925 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,2,0,0,0,0|2,0,0]=4 1926 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,2,0,0,0,0|2,0,0]=4 1927 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,2,0,0,0,0|2,0,0]=4 1928 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|2,0,0]=4 1929 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|2,0,0]=4 1930 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|2,0,0]=4 1931 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1932 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1933 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,2,0,0,0,0|2,0,0]=4 1934 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,2,0,0,0,0|2,0,0]=4 1935 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,2,0,0,0,0|2,0,0]=4 1936 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,2,0,0,0,0|2,0,0]=4 1937 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1938 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1939 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1940 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1941 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,2,0,0,0,0|2,0,0]=4 1942 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,2,0,0,0,0|2,0,0]=4 1943 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,2,0,0,0,0|1,0,0]=3 1944 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,2,0,0,0,0|1,0,0]=3 1945 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,2,0,0,0,0|1,0,0]=3 1946 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,2,0,0,0,0|1,0,0]=3 1947 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 1948 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|2,0,0]=4 1949 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 1950 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|2,0,0]=4 1951 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,2,0,0,0,0|1,0,1]=4 1952 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,2,0,0,0,0|1,0,1]=4 1953 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,2,0,0,0,0|1,0,1]=4 1954 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,2,0,0,0,0|1,0,1]=4 1955 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,2,0,0,0,0|1,0,1]=4 1956 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,2,0,0,0,0|1,0,1]=4 1957 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,2,0,0,0,0|1,0,1]=4 1958 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,2,0,0,0,0|1,0,1]=4 1959 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,2,0,0,0,0|1,0,1]=4 1960 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,2,0,0,0,0|1,0,1]=4 1961 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|0,0,2]=4 1962 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|0,0,2]=4 1963 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,2,0,0,0,0|1,0,0]=3 1964 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,2,0,0,0,0|1,0,0]=3 1965 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,2,0,0,0,0|1,0,0]=3 1966 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,2,0,0,0,0|1,0,0]=3 1967 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,2,0,0,0,0|1,0,0]=3 1968 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,2,0,0,0,0|1,0,0]=3 1969 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,2,0,0,0,0|1,0,0]=3 1970 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,1,0,1,0,0|1,0,1]=4 1971 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,1,0,1,0,0|1,0,1]=4 1972 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,1,0,1,0,0|1,0,1]=4 1973 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,1,0,1,0,0|2,0,0]=4 1974 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,1,0,1,0,0|2,0,0]=4 1975 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,1,0,1,0,0|1,0,1]=4 1976 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,1,0,1,0,0|1,0,1]=4 1977 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,1,0,1,0,0|1,0,1]=4 1978 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,1,0,1,0,0|2,0,0]=4 1979 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,1,0,1,0,0|2,0,0]=4 1980 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,1,0,1,0,0|1,0,1]=4 1981 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,1,0,1,0,0|1,0,1]=4 1982 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,1,0,1,0,0|1,0,1]=4 1983 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [0,1,0,1,0,0|1,0,1]=4 1984 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [0,1,0,1,0,0|1,0,1]=4 1985 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [0,1,0,1,0,0|1,0,1]=4 1986 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [0,1,0,1,0,0|1,0,1]=4 1987 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [0,1,0,1,0,0|1,0,1]=4 1988 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [0,1,0,1,0,0|1,0,1]=4 1989 B6R1.3 CNCC1CO1 2230a_106832991635_100011216344 [0,1,0,1,0,0|0,0,2]=4 1990 B6R1.3 CNCC1CO1 34a_100102657272_102125554688 [0,1,0,1,0,0|0,0,2]=4 1991 B6R1.3 CNCC1CO1 7a_106832991635_102125554688 [0,1,0,1,0,0|0,0,2]=4 1992 B6R1.3 CNCC1CS1 7a_106832991635_100000031435 [0,1,0,1,0,0|0,1,1]=4 1993 B6R1.3 CNC[C@@H]1CO1 7a_106832991635_100000745022 [0,1,0,1,0,0|0,0,2]=4 1994 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|0,0,2]=4 1995 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|0,0,2]=4 1996 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|0,0,2]=4 1997 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|0,0,2]=4 1998 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [0,1,0,1,0,0|0,1,1]=4 1999 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [0,1,0,1,0,0|0,1,1]=4 2000 B6R1.3 CSCC1CO1 62a_102125554688_200000210301 [0,1,0,1,0,0|0,0,2]=4 2001 B6R1.3 CSCC1CO1 62a_200000210301_102125554688 [0,1,0,1,0,0|0,0,2]=4 2002 B6R1.3 CSCC1CS1 62a_100000031435_200000210301 [0,1,0,1,0,0|0,1,1]=4 2003 B6R1.3 CSCC1CS1 62a_200000210301_100000031435 [0,1,0,1,0,0|0,1,1]=4 2004 B6R1.3 CSC[C@@H]1CO1 62a_100000745022_200000210301 [0,1,0,1,0,0|0,0,2]=4 2005 B6R1.3 CSC[C@@H]1CO1 62a_200000210301_100000745022 [0,1,0,1,0,0|0,0,2]=4 2006 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,1,0,1,0,0|1,0,1]=4 2007 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,1,0,1,0,0|1,0,1]=4 2008 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [0,1,0,1,0,0|1,0,1]=4 2009 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [0,1,0,1,0,0|1,0,1]=4 2010 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|0,0,2]=4 2011 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|0,0,2]=4 2012 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [0,1,0,1,0,0|0,1,1]=4 2013 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [0,1,0,1,0,0|0,1,1]=4 2014 B6R1.3 [13CH3]SCC1CO1 62a_102125554688_200025704644 [0,1,0,1,0,0|0,0,2]=4 2015 B6R1.3 [13CH3]SCC1CO1 62a_200025704644_102125554688 [0,1,0,1,0,0|0,0,2]=4 2016 B6R1.3 [13CH3]SCC1CS1 62a_100000031435_200025704644 [0,1,0,1,0,0|0,1,1]=4 2017 B6R1.3 [13CH3]SCC1CS1 62a_200025704644_100000031435 [0,1,0,1,0,0|0,1,1]=4 2018 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_100000745022_200025704644 [0,1,0,1,0,0|0,0,2]=4 2019 B6R1.3 [13CH3]SC[C@@H]1CO1 62a_200025704644_100000745022 [0,1,0,1,0,0|0,0,2]=4 2020 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,1,0,1,0,0|2,0,0]=4 2021 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,1,0,1,0,0|2,0,0]=4 2022 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,1,0,1,0,0|2,0,0]=4 2023 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,1,0,1,0,0|2,0,0]=4 2024 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,1,0,1,0,0|2,0,0]=4 2025 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,1,0,1,0,0|2,0,0]=4 2026 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,1,0,1,0,0|2,0,0]=4 2027 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,1,0,1,0,0|2,0,0]=4 2028 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,1,0,1,0,0|2,0,0]=4 2029 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|2,0,0]=4 2030 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,1,0,1,0,0|2,0,0]=4 2031 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,1,0,1,0,0|2,0,0]=4 2032 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,1,0,1,0,0|2,0,0]=4 2033 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|2,0,0]=4 2034 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,1,0,1,0,0|1,0,1]=4 2035 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,1,0,1,0,0|1,0,1]=4 2036 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,1,0,1,0,0|1,0,1]=4 2037 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,1,0,1,0,0|1,0,1]=4 2038 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,1,0,1,0,0|1,0,1]=4 2039 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,1,0,1,0,0|1,0,1]=4 2040 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|0,0,0]=2 2041 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|1,0,0]=3 2042 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,1,0,1,0,0|2,0,0]=4 2043 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,1,0,1,0,0|2,0,0]=4 2044 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,1,0,1,0,0|2,0,0]=4 2045 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,1,0,1,0,0|2,0,0]=4 2046 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,1,0,1,0,0|2,0,0]=4 2047 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|0,0,0]=2 2048 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|1,0,0]=3 2049 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 2050 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 2051 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 2052 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 2053 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,1,0,1,0,0|1,0,1]=4 2054 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 2055 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,1,0,0|1,0,1]=4 2056 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 2057 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,1,0,0|1,0,1]=4 2058 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,1,0,1,0,0|2,0,0]=4 2059 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,1,0,1,0,0|2,0,0]=4 2060 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,1,0,1,0,0|2,0,0]=4 2061 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,1,0,1,0,0|0,0,2]=4 2062 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,1,0,1,0,0|0,0,2]=4 2063 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|2,0,0]=4 2064 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,1,0,1,0,0|2,0,0]=4 2065 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,1,0,1,0,0|0,1,1]=4 2066 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,1,0,1,0,0|2,0,0]=4 2067 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,1,0,1,0,0|1,0,1]=4 2068 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 2069 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 2070 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,1,0,1,0,0|2,0,0]=4 2071 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,1,0,1,0,0|0,0,2]=4 2072 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,1,0,1,0,0|2,0,0]=4 2073 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,1,0,1,0,0|0,1,1]=4 2074 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,1,0,1,0,0|2,0,0]=4 2075 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|2,0,0]=4 2076 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|2,0,0]=4 2077 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|2,0,0]=4 2078 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|2,0,0]=4