0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 COC(C)C 34a_100000212225_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 COC(C)C 34a_100138415774_100000210206 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.1 CCNC 2230a_100015525214_200000210301 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 CCNC 2230a_106832991635_100000210202 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 CCNC 34a_100102657272_100000210202 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 CCNC 7a_106832991635_100000210202 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 CCOC 34a_100121572206_200000210301 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 CCOC 34a_100138415774_100000210202 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 CCSC 62a_100000210202_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B3R0.1 CCSC 62a_200000210301_100000210202 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [1,0,0,0,0,0|2,0,0]=3 47 B3R0.1 CNCF 34a_100102657272_100015361967 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|1,0,0]=2 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|1,0,0]=2 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|1,0,1]=3 63 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|1,0,1]=3 88 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|1,0,2]=4 91 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|1,0,0]=2 96 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 105 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|1,0,2]=4 108 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|1,0,0]=2 111 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 120 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 121 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,0]=2 122 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|3,0,0]=4 134 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|3,0,0]=4 135 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|3,0,0]=4 136 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|0,0,0]=1 138 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|0,0,0]=1 139 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|0,0,0]=1 140 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|0,0,0]=1 141 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|1,0,0]=2 142 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|1,0,2]=4 153 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|1,0,2]=4 154 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|1,0,2]=4 160 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|1,0,2]=4 161 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|0,0,0]=1 166 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|1,0,0]=2 167 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|1,0,0]=2 168 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|1,0,2]=4 173 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|3,0,0]=4 177 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|1,0,2]=4 180 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|1,0,0]=2 182 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|0,0,0]=1 183 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|0,0,0]=1 184 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|1,0,2]=4 190 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|1,0,2]=4 191 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|3,0,0]=4 194 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|3,0,0]=4 195 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|1,0,2]=4 196 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|1,0,2]=4 197 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|1,0,2]=4 201 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|1,0,2]=4 202 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|1,0,2]=4 203 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|1,0,2]=4 204 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|1,0,0]=2 207 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|0,0,0]=1 208 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|0,0,0]=1 212 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|0,0,0]=1 213 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|1,0,0]=2 215 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|0,0,2]=3 223 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|0,0,2]=3 224 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|1,0,0]=2 226 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|1,0,0]=2 227 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|1,0,0]=2 228 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|0,0,0]=1 229 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|0,0,0]=1 230 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|0,0,0]=1 231 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|0,0,0]=1 232 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|1,0,1]=3 233 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|1,0,1]=3 236 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|1,0,1]=3 237 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|1,0,2]=4 239 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|1,0,2]=4 240 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|1,1,1]=4 241 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|1,1,1]=4 242 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|1,1,1]=4 243 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|1,1,1]=4 244 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|3,0,0]=4 245 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|3,0,0]=4 250 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|3,0,0]=4 252 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 253 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,1,0,0,0,0|1,0,0]=2 257 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,1,0,0,0,0|1,0,0]=2 258 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|2,0,1]=4 260 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|2,0,0]=3 265 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|1,0,1]=3 267 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|1,0,1]=3 268 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|1,0,0]=2 270 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|1,0,0]=2 271 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|2,0,0]=3 272 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 273 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 274 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 275 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|2,0,0]=3 276 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|1,0,0]=2 277 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|1,0,0]=2 279 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 280 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 281 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|1,0,0]=2 284 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|1,0,0]=2 285 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|1,0,0]=2 286 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|2,0,0]=3 287 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|3,0,0]=4 288 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|3,0,0]=4 289 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 290 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,1]=4 291 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,1]=4 292 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 293 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,1]=4 294 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,1]=4 295 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,1]=4 296 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,1]=4 297 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,1]=4 298 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,1]=4 299 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,1]=4 300 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 302 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|1,0,1]=4 303 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|1,0,1]=4 304 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|1,0,1]=4 305 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|1,0,1]=4 306 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|1,0,1]=4 307 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|1,0,1]=4 308 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|1,0,1]=4 309 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,1,0,0,0,0|1,0,1]=4 310 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,1,0,0,0,0|1,0,1]=4 311 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,0]=3 312 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,0]=3 313 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,0]=3 314 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,0]=3 315 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,0]=3 316 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|1,0,0]=3 317 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|1,0,0]=3 318 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|1,0,0]=3 319 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|1,0,0]=3 320 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|1,0,0]=3 321 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|1,0,0]=3 322 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|1,0,0]=3 323 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|0,0,1]=3 324 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|0,0,1]=3 325 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|0,0,1]=3 326 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|0,0,2]=4 327 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|0,0,2]=4 328 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|0,0,2]=4 329 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|0,1,1]=4 330 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|0,1,1]=4 331 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|0,1,1]=4 332 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|0,1,1]=4 333 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,1]=4 334 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|1,0,1]=4 335 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|1,0,1]=4 336 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|1,0,1]=4 338 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|0,0,2]=4 340 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|0,0,2]=4 341 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 342 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|0,0,0]=2 343 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|0,0,0]=2 344 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 345 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,1]=4 346 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,1]=4 347 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 348 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|0,0,2]=4 349 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 350 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|0,0,2]=4 351 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|0,0,2]=4 352 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|0,0,2]=4 353 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|1,0,1]=4 354 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|1,0,1]=4 355 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|1,0,1]=4 356 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|0,0,0]=2 357 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|1,0,1]=4 359 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|0,0,1]=3 360 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|0,0,2]=4 361 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|2,0,0]=4 362 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|2,0,0]=4 363 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|2,0,0]=4 364 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|2,0,0]=4 365 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|2,0,0]=4 366 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,1,0,0,0,0|0,0,2]=4 367 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,1,0,0,0,0|0,0,2]=4 368 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|0,0,0]=2 369 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|0,0,0]=2 370 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|1,0,1]=4 372 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|0,0,2]=4 373 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|0,0,2]=4 374 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|2,0,0]=4 375 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|2,0,0]=4 376 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|2,0,0]=4 377 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|2,0,0]=4 378 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,1]=4 379 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|0,0,2]=4 380 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|0,0,2]=4 381 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|0,0,1]=3 383 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,1,0,0,0,0|0,0,2]=4 384 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,1,0,0,0,0|0,0,2]=4 385 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|0,0,0]=2 386 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|0,0,0]=2 387 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|1,0,1]=4 388 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|1,0,1]=4 389 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|0,0,2]=4 390 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|0,0,2]=4 391 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,2,0,0,0,0|1,0,1]=4 393 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|1,0,0]=3 394 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|1,0,0]=3 396 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,2,0,0,0,0|1,0,1]=4 397 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,2,0,0,0,0|1,0,1]=4 398 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,2,0,0,0,0|1,0,0]=3 400 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,2,0,0,0,0|1,0,1]=4 401 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|1,0,1]=4 402 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,2,0,0,0,0|0,0,1]=3 403 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,2,0,0,0,0|0,0,1]=3 404 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,2,0,0,0,0|1,0,1]=4 406 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [0,2,0,0,0,0|1,0,1]=4 409 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|1,0,0]=3 411 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|1,0,0]=3 412 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|1,0,0]=3 413 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|1,0,0]=3 414 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|0,0,2]=4 415 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,2,0,0,0,0|1,0,1]=4 416 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|1,0,0]=3 417 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,2,0,0,0,0|1,0,1]=4 419 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|1,0,1]=4 420 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|0,0,1]=3 421 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|0,0,1]=3 422 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|0,0,1]=3 423 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|0,0,1]=3 424 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|1,0,0]=3 427 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|1,0,1]=4 428 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|1,0,0]=3 430 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|0,0,1]=3 432 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|0,0,1]=3 433 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|0,0,1]=3 434 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|1,0,0]=3 435 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|1,0,0]=3 436 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|1,0,0]=3 437 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,2,0,0,0,0|0,0,1]=3 438 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,2,0,0,0,0|0,0,1]=3 439 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|1,0,0]=3 440 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|1,0,0]=3 441 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|0,0,0]=2 443 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|1,0,0]=3 444 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|1,0,0]=3 445 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|1,0,0]=3 448 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|1,0,0]=3 449 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|1,0,0]=3 450 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|1,0,0]=3 451 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|0,0,0]=2 452 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,2,0,0,0,0|1,0,1]=4 456 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,2,0,0,0,0|1,0,1]=4 457 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,2,0,0,0,0|0,0,2]=4 459 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,2,0,0,0,0|0,0,2]=4 460 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,2,0,0,0,0|0,0,2]=4 461 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,2,0,0,0,0|0,0,2]=4 462 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,2,0,0,0,0|0,0,2]=4 463 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|1,0,0]=3 466 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|0,0,0]=2 468 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 469 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 470 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|0,0,0]=2 471 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,2,0,0,0,0|1,0,1]=4 476 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 478 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 479 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|0,0,0]=2 480 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|0,0,0]=2 481 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|0,0,0]=2 482 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 483 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|1,0,0]=3 484 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|0,0,0]=2 485 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|0,0,0]=2 486 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|0,0,0]=2 487 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|0,0,0]=2 488 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|0,0,0]=2 489 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|0,0,0]=2 490 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,2,0,0,0,0|1,0,1]=4 491 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,2,0,0,0,0|0,0,2]=4 497 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,2,0,0,0,0|0,0,2]=4 498 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,2,0,0,0,0|0,0,2]=4 499 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,2,0,0,0,0|0,0,2]=4 500 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,2,0,0,0,0|0,0,2]=4 501 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,2,0,0,0,0|0,0,2]=4 502 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,2,0,0,0,0|0,0,1]=3 503 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,2,0,0,0,0|0,0,1]=3 504 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|0,0,0]=2 505 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|0,0,0]=2 506 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|0,0,0]=2 507 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 508 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 509 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|0,0,0]=2 510 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|0,0,0]=2 511 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 512 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|0,0,0]=2 513 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|0,0,0]=2 514 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|0,0,0]=2 515 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|0,0,0]=2 516 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|0,0,0]=2 517 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|0,0,0]=2 518 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|0,0,0]=2 519 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|0,0,0]=2 520 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|0,0,0]=2 521 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|1,0,1]=4 522 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|1,0,1]=4 523 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|1,0,1]=4 524 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|0,0,0]=2 530 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|0,0,0]=2 531 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|0,0,0]=2 532 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|0,0,0]=2 533 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|1,0,0]=3 535 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|1,0,0]=3 536 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|1,0,0]=3 537 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|1,0,0]=3 538 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|1,0,0]=3 539 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|1,0,0]=3 540 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 541 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 542 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|1,0,0]=3 544 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|1,0,0]=3 545 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|1,0,0]=3 546 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|1,0,0]=3 547 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|1,0,0]=3 548 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|1,0,0]=3 553 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 554 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 555 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|1,0,0]=3 561 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|1,0,0]=3 562 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|1,0,0]=3 563 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|1,0,0]=3 565 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 566 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 567 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 568 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 569 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 570 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 571 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,2,0,0,0,0|1,0,1]=4 572 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,2,0,0,0,0|2,0,0]=4 573 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|1,0,1]=4 575 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|1,0,1]=4 580 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|0,0,0]=2 581 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|0,0,0]=2 582 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|1,0,0]=3 584 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|1,0,0]=3 588 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,2,0,0,0,0|2,0,0]=4 590 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|0,0,0]=2 597 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|0,0,0]=2 598 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|0,0,0]=2 599 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|1,0,0]=3 600 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|1,0,0]=3 601 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,2,0,0,0,0|2,0,0]=4 603 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|1,0,0]=3 605 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|0,0,0]=2 608 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|1,0,1]=4 611 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|1,0,1]=4 612 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,2,0,0,0,0|0,0,2]=4 613 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|1,0,1]=4 616 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|0,0,1]=3 617 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|0,0,1]=3 618 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|2,0,0]=4 619 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,2,0,0,0,0|0,0,2]=4 620 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,2,0,0,0,0|0,0,2]=4 621 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,2,0,0,0,0|0,0,2]=4 622 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,2,0,0,0,0|0,0,2]=4 623 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,0]=3 624 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|0,0,2]=4 625 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|0,0,2]=4 626 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|1,0,0]=3 634 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,2,0,0,0,0|1,0,1]=4 638 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|0,0,0]=2 640 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|1,0,0]=3 642 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|1,0,0]=3 645 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 646 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 648 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|0,0,0]=2 649 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,0]=3 666 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|0,0,1]=3 669 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|0,0,1]=3 670 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|0,0,1]=3 671 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 673 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 674 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|0,0,0]=2 675 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|0,0,0]=2 676 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|0,0,0]=2 677 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|0,0,0]=2 678 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|0,0,0]=2 679 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 682 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|1,0,0]=3 685 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|0,0,0]=2 686 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 687 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 688 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,0]=3 689 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|0,0,0]=2 691 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|0,0,0]=2 692 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|0,0,0]=2 693 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,2,0,0,0,0|1,0,1]=4 694 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|0,0,0]=2 695 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|0,0,0]=2 696 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|0,0,0]=2 697 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|1,0,0]=3 698 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|1,0,0]=3 699 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|0,0,0]=2 700 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|0,0,0]=2 701 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|0,0,0]=2 704 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|0,0,0]=2 706 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|0,0,0]=2 709 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|0,0,0]=2 710 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|1,0,0]=3 712 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|0,0,0]=2 714 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|0,0,0]=2 715 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|1,0,0]=3 716 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|0,0,0]=2 718 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,0,0]=3 719 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,0,0]=3 720 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|0,0,0]=2 721 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|1,0,0]=3 723 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|0,0,0]=2 724 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|0,0,0]=2 725 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|2,0,0]=4 729 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|0,0,0]=2 731 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|0,0,0]=2 732 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|1,0,1]=4 739 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|1,0,1]=4 740 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|1,0,1]=4 741 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|2,0,0]=4 744 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 745 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|2,0,0]=4 748 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|2,0,0]=4 749 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,2,0,0,0,0|2,0,0]=4 751 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,2,0,0,0,0|2,0,0]=4 752 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,2,0,0,0,0|2,0,0]=4 754 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,2,0,0,0,0|2,0,0]=4 755 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,2,0,0,0,0|2,0,0]=4 756 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,2,0,0,0,0|2,0,0]=4 757 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,2,0,0,0,0|2,0,0]=4 759 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|1,0,0]=3 771 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|1,0,0]=3 772 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|1,0,1]=4 774 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|1,0,1]=4 775 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|1,0,1]=4 776 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|2,0,0]=4 779 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,2,0,0,0,0|1,0,0]=3 784 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|1,0,0]=3 785 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|1,0,0]=3 786 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|1,0,0]=3 788 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|1,0,0]=3 789 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|1,0,0]=3 791 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|1,0,1]=4 792 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|1,0,1]=4 793 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 794 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 795 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 796 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|1,0,0]=3 797 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|1,0,0]=3 798 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|1,0,0]=3 799 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|1,0,1]=4 805 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|1,0,0]=3 807 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|1,0,0]=3 809 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|1,0,0]=3 810 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|1,0,0]=3 812 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 813 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 814 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|1,0,0]=3 816 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|0,0,0]=2 817 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|0,0,0]=2 818 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|1,0,0]=3 820 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|1,0,0]=3 821 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|1,0,0]=3 822 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|0,0,0]=2 823 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|1,0,0]=3 824 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|1,0,0]=3 825 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 826 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,2,0,0,0,0|2,0,0]=4 827 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|1,0,0]=3 828 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|0,0,0]=2 829 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|0,0,0]=2 830 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|1,0,0]=3 831 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|1,0,0]=3 832 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|1,0,0]=3 833 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,2,0,0,0,0|2,0,0]=4 834 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|2,0,0]=4 836 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|2,0,0]=4 837 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 838 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|1,0,0]=3 839 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|0,0,0]=2 840 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|0,0,0]=2 841 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|0,0,0]=2 842 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|1,0,0]=3 843 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,0]=3 844 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|1,0,1]=4 845 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|1,0,1]=4 846 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|2,0,0]=4 847 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|2,0,0]=4 848 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|1,0,0]=3 849 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|1,0,0]=3 850 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|1,0,0]=3 851 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|1,0,0]=3 852 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|0,0,0]=2 853 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|0,0,0]=2 854 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|0,0,0]=2 855 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|1,0,0]=3 856 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 857 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|1,0,0]=3 858 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|2,0,0]=4 859 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|2,0,0]=4 860 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|1,0,0]=3 861 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|1,0,0]=3 862 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|1,0,0]=3 863 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|1,0,0]=3 864 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|0,0,0]=2 865 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|0,0,0]=2 866 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|1,0,0]=3 867 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|1,0,0]=3 868 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|1,0,0]=3 869 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 870 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,0,1]=4 871 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|0,0,0]=2 872 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|0,0,0]=2 873 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|1,0,0]=3 874 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,0,0]=3 875 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,0,0]=3 876 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,2,0,0,0,0|2,0,0]=4 877 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|1,0,1]=4 878 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,2,0,0,0,0|1,0,0]=3 879 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,0]=3 880 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|0,0,0]=2 881 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|0,0,0]=2 882 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|0,0,0]=2 883 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|0,0,0]=2 884 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|2,0,0]=4 885 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,2,0,0,0,0|2,0,0]=4 886 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,2,0,0,0,0|2,0,0]=4 887 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,2,0,0,0,0|1,0,0]=3 888 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,2,0,0,0,0|1,0,0]=3 889 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,2,0,0,0,0|2,0,0]=4 890 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,2,0,0,0,0|2,0,0]=4 891 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,2,0,0,0,0|1,0,0]=3 892 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,2,0,0,0,0|1,0,0]=3 893 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,2,0,0,0,0|2,0,0]=4 894 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,2,0,0,0,0|2,0,0]=4 895 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|1,0,1]=4 896 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|1,0,1]=4 897 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|1,0,1]=4 898 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,2,0,0,0,0|1,0,0]=3 899 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,2,0,0,0,0|1,0,0]=3 900 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 902 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 903 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,2,0,0,0,0|1,0,1]=4 904 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,2,0,0,0,0|1,0,1]=4 905 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,2,0,0,0,0|1,0,1]=4 906 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,2,0,0,0,0|1,0,1]=4 907 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|0,0,2]=4 908 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|0,0,2]=4 909 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|1,0,0]=3 910 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|1,0,0]=3 911 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|1,0,0]=3 912 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,2,0,0,0,0|2,0,0]=4 913 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,2,0,0,0,0|2,0,0]=4 914 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|1,0,0]=3 915 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|1,0,0]=3 916 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|1,0,0]=3 917 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,2,0,0,0,0|2,0,0]=4 918 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|1,0,0]=3 919 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|1,0,0]=3 920 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|1,0,0]=3 921 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|1,0,0]=3 922 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 923 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,1,0,1,0,0|1,0,1]=4 924 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 925 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,1,0,1,0,0|1,0,1]=4 926 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 927 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,1,0,1,0,0|1,0,1]=4 928 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,1,0,1,0,0|1,0,1]=4 929 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,1,0,1,0,0|1,0,1]=4 930 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 931 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,1,0,1,0,0|1,0,1]=4 932 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|1,0,1]=4 933 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|1,0,1]=4