0 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [0,0,0,0,0,0|0,0,0]=0 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|3,0,0]=3 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|0,0,0]=0 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|2,0,0]=3 48 B3R0.1 CNCF 7a_106832991635_100015361967 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 COCF 34a_100138415774_100015361967 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 CSCF 62a_100015361967_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 CSCF 62a_200000210301_100015361967 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|0,0,0]=1 55 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|0,0,0]=1 56 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 57 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|2,0,0]=3 58 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,1,0,0,0,0|1,0,0]=2 74 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,1,0,0,0,0|1,1,0]=3 75 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,1,0,0,0,0|1,1,0]=3 76 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,1,0,0,0,0|1,1,0]=3 77 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,1,0,0,0,0|1,1,0]=3 78 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,1,0,0,0,0|1,0,1]=3 82 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,1,0,0,0,0|1,1,1]=4 85 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,1,0,0,0,0|1,1,1]=4 86 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,1,0,0,0,0|1,1,1]=4 87 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,1,0,0,0,0|1,1,1]=4 88 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,1,0,0,0,0|3,0,0]=4 95 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,1,0,0,0,0|1,0,1]=3 98 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,1,0,0,0,0|1,0,1]=3 99 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,1,0,0,0,0|1,0,0]=2 105 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,1,0,0,0,0|0,0,0]=1 106 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,1,0,0,0,0|0,0,0]=1 107 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,1,0,0,0,0|0,0,0]=1 108 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,1,0,0,0,0|1,1,1]=4 113 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,1,0,0,0,0|1,1,1]=4 114 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [0,1,0,0,0,0|1,0,1]=3 119 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [0,1,0,0,0,0|0,1,2]=4 122 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [0,1,0,0,0,0|0,1,2]=4 123 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,1,0,0,0,0|1,0,0]=2 127 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,1,0,0,0,0|1,0,0]=2 128 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,1,0,0,0,0|3,0,0]=4 134 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,1,0,0,0,0|1,0,0]=2 136 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,1,0,0,0,0|1,0,0]=2 137 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 150 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [0,1,0,0,0,0|1,0,2]=4 172 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 173 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [0,1,0,0,0,0|1,0,2]=4 174 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [0,1,0,0,0,0|1,0,2]=4 175 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [0,1,0,0,0,0|1,0,2]=4 176 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [0,1,0,0,0,0|1,0,2]=4 177 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [0,1,0,0,0,0|1,0,2]=4 178 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,1,0,0,0,0|0,0,0]=1 181 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,1,0,0,0,0|0,0,0]=1 182 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,1,0,0,0,0|1,0,0]=2 183 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,1,0,0,0,0|0,0,0]=1 184 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,1,0,0,0,0|1,0,1]=3 188 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [0,1,0,0,0,0|0,0,2]=3 190 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [0,1,0,0,0,0|1,0,1]=3 195 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,1,0,0,0,0|1,0,1]=3 196 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [0,1,0,0,0,0|0,0,2]=3 197 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,1,0,0,0,0|0,1,0]=2 199 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,1,0,0,0,0|1,1,0]=3 200 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,1,0,0,0,0|1,1,0]=3 201 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,1,0,0,0,0|0,1,0]=2 202 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,1,0,0,0,0|1,1,0]=3 203 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,1,0,0,0,0|1,1,0]=3 204 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,1,0,0,0,0|1,1,1]=4 205 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,1,0,0,0,0|1,1,1]=4 206 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [0,1,0,0,0,0|0,1,2]=4 207 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [0,1,0,0,0,0|0,1,2]=4 208 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,1,0,0,0,0|2,1,0]=4 209 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,1,0,0,0,0|2,1,0]=4 210 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [0,1,0,0,0,0|0,1,2]=4 211 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [0,1,0,0,0,0|0,1,2]=4 212 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [0,1,0,0,0,0|2,1,0]=4 213 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,1,0,0,0,0|1,0,1]=3 215 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [0,1,0,0,0,0|0,1,2]=4 216 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [0,1,0,0,0,0|0,1,2]=4 217 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,1,0,0,0,0|1,0,1]=3 218 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,1,0,0,0,0|1,0,1]=3 220 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,1,0,0,0,0|0,0,0]=1 222 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,1,0,0,0,0|1,1,0]=3 226 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,1,0,0,0,0|1,1,0]=3 227 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,1,0,0,0,0|1,1,0]=3 228 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,1,0,0,0,0|1,1,0]=3 229 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [0,1,0,0,0,0|2,1,0]=4 230 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,1,0,0,0,0|1,0,1]=3 231 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,1,0,0,0,0|1,0,1]=3 232 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,1,0,0,0,0|1,0,1]=3 233 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,1,0,0,0,0|1,0,1]=3 236 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,1,0,0,0,0|1,0,2]=4 237 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,1,0,0,0,0|1,0,2]=4 239 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,1,0,0,0,0|0,1,1]=3 240 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,1,0,0,0,0|1,0,0]=2 241 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,1,0,0,0,0|1,0,0]=2 242 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,1,0,0,0,0|0,0,0]=1 243 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,1,0,0,0,0|1,0,0]=2 244 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,1,0,0,0,0|1,0,0]=2 245 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,1,0,0,0,0|1,0,0]=2 247 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,1,0,0,0,0|1,0,2]=4 253 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,1,0,0,0,0|1,0,2]=4 254 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,1,0,0,0,0|1,0,2]=4 255 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,1,0,0,0,0|1,1,1]=4 256 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,1,0,0,0,0|1,1,1]=4 257 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,1,0,0,0,0|1,1,1]=4 258 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,1,0,0,0,0|1,1,1]=4 259 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,1,0,0,0,0|3,0,0]=4 260 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 261 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,1,0,0,0,0|3,0,0]=4 263 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,1,0,0,0,0|0,0,0]=1 269 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,1,0,0,0,0|0,0,0]=1 270 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,1,0,0,0,0|2,0,0]=3 271 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,1,0,0,0,0|2,0,0]=3 272 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,1,0,0,0,0|2,0,0]=3 273 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,1,0,0,0,0|1,0,1]=3 274 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,1,0,0,0,0|1,0,1]=3 275 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,1,0,0,0,0|1,0,1]=3 276 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,1,0,0,0,0|1,0,1]=3 277 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,1,0,0,0,0|1,0,2]=4 278 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,1,0,0,0,0|1,0,2]=4 279 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,1,0,0,0,0|1,0,2]=4 280 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,1,0,0,0,0|0,0,2]=3 281 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,1,0,0,0,0|0,1,1]=3 282 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,1,0,0,0,0|0,1,1]=3 283 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,1,0,0,0,0|0,1,1]=3 284 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,1,0,0,0,0|0,1,1]=3 286 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,1,0,0,0,0|0,1,1]=3 287 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,1,0,0,0,0|0,0,0]=1 288 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|3,0,0]=4 289 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,1,0,0,0,0|1,0,1]=3 290 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,1,0,0,0,0|1,0,1]=3 291 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,1,0,0,0,0|1,0,0]=2 292 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,1,0,0,0,0|1,0,0]=2 293 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,1,0,0,0,0|1,0,0]=2 294 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,1,0,0,0,0|0,0,0]=1 295 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 297 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,1,0,0,0,0|2,0,0]=3 298 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,1,0,0,0,0|2,0,0]=3 299 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,1,0,0,0,0|0,0,0]=1 300 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,1,0,0,0,0|0,0,0]=1 301 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,1,0,0,0,0|1,0,0]=2 302 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 303 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,1,0,0,0,0|3,0,0]=4 304 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,1,0,0,0,0|1,0,0]=2 307 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,1,0,0,0,0|0,0,0]=1 308 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,1,0,0,0,0|0,0,0]=1 309 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,1,0,0,0,0|0,0,0]=1 310 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,1,0,0|3,0,0]=4 311 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,1,0,0|3,0,0]=4 312 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 313 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 314 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 315 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 316 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 317 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 318 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 319 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 320 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 321 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 322 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 323 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 324 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,1,0,0,0,0|2,0,0]=4 325 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,1,0,0,0,0|2,0,0]=4 327 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,1,0,0,0,0|2,0,0]=4 328 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,1,0,0,0,0|2,0,0]=4 329 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,1,0,0,0,0|0,0,2]=4 330 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,1,0,0,0,0|0,0,2]=4 331 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,1,0,0,0,0|0,0,2]=4 332 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,1,0,0,0,0|2,0,0]=4 333 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,1,0,0,0,0|2,0,0]=4 334 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,1,0,0,0,0|1,0,1]=4 335 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,1,0,0,0,0|1,0,1]=4 336 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,1,0,0,0,0|1,0,1]=4 338 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,1,0,0,0,0|0,0,1]=3 340 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,1,0,0,0,0|0,0,1]=3 341 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,1,0,0,0,0|0,0,1]=3 342 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,1,0,0,0,0|0,1,1]=4 343 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,1,0,0,0,0|0,1,1]=4 344 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,1,0,0,0,0|0,1,1]=4 345 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,1,0,0,0,0|0,1,1]=4 346 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 347 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,1,0,0,0,0|1,0,1]=4 348 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,1,0,0,0,0|1,0,1]=4 349 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,1,0,0,0,0|0,0,1]=3 350 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,1,0,0,0,0|0,0,1]=3 351 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,1,0,0,0,0|0,0,1]=3 352 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,1,0,0,0,0|0,1,1]=4 353 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,1,0,0,0,0|0,1,1]=4 354 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,1,0,0,0,0|0,1,1]=4 355 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,1,0,0,0,0|0,1,1]=4 356 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,1,0,0,0,0|1,0,1]=4 357 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,1,0,0,0,0|1,0,1]=4 359 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,1,0,0,0,0|1,0,1]=4 360 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,1,0,0,0,0|1,0,1]=4 361 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,1,0,0,0,0|1,0,1]=4 362 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,1,0,0,0,0|2,0,0]=4 363 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,1,0,0,0,0|2,0,0]=4 364 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,1,0,0,0,0|1,0,0]=3 365 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,1,0,0,0,0|1,0,0]=3 366 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,1,0,0,0,0|1,0,0]=3 367 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 368 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,1,0,0,0,0|1,0,1]=4 369 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,1,0,0,0,0|1,0,1]=4 370 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,1,0,0,0,0|0,0,1]=3 372 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,1,0,0,0,0|0,0,1]=3 373 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,1,0,0,0,0|0,0,1]=3 374 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,1,0,0,0,0|0,0,1]=3 375 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,1,0,0,0,0|0,0,1]=3 376 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,1,0,0,0,0|1,0,0]=3 377 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,1,0,0,0,0|1,1,0]=4 378 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,1,0,0,0,0|1,1,0]=4 379 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,1,0,0,0,0|0,0,0]=2 380 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,1,0,0,0,0|1,0,1]=4 381 B4R0.2 COCCF 34a_100138415774_100011217306 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.2 COCCN 34a_100000210304_200000210301 [1,1,0,0,0,0|1,0,1]=4 383 B4R0.2 COCCO 34a_100138415774_100000211926 [1,1,0,0,0,0|0,0,1]=3 384 B4R0.2 COCSC 34a_100138415774_100011218213 [1,1,0,0,0,0|1,0,0]=3 385 B4R0.2 COCSC 62a_100000766300_200000210301 [1,1,0,0,0,0|1,0,0]=3 386 B4R0.2 COCSC 62a_200000210301_100000766300 [1,1,0,0,0,0|1,0,0]=3 387 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,1,0,0,0,0|1,0,0]=3 388 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,1,0,0,0,0|2,0,0]=4 390 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,1,0,0,0,0|2,0,0]=4 391 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,1,0,0,0,0|0,1,0]=3 392 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,1,0,0,0,0|0,1,0]=3 393 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,1,0,0,0,0|1,0,1]=4 394 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,1,0,0,0,0|1,0,1]=4 395 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,1,0,0,0,0|0,0,1]=3 396 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,1,0,0,0,0|0,0,1]=3 397 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,1,0,0,0,0|1,1,0]=4 398 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,1,0,0,0,0|1,1,0]=4 399 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,1,0,0,0,0|1,1,0]=4 400 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,1,0,0,0,0|1,1,0]=4 401 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,1,0,0,0,0|2,0,0]=4 402 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,1,0,0,0,0|1,0,1]=4 403 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,1,0,0,0,0|0,0,1]=3 404 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,1,0,0,0,0|0,0,1]=3 405 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,1,0,0,0,0|1,0,1]=4 406 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,1,0,0,0,0|1,0,1]=4 407 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,1,0,0,0,0|2,0,0]=4 408 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,1,0,0,0,0|2,0,0]=4 409 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,1,0,0,0,0|0,1,0]=3 410 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,1,0,0,0,0|0,1,0]=3 411 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,1,0,0,0,0|1,0,1]=4 412 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,1,0,0,0,0|1,0,1]=4 413 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,1,0,0,0,0|0,0,1]=3 414 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,1,0,0,0,0|0,0,1]=3 415 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,2,0,0,0,0|1,0,1]=4 416 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,2,0,0,0,0|1,0,1]=4 417 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,2,0,0,0,0|1,0,1]=4 419 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,2,0,0,0,0|0,0,1]=3 420 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,2,0,0,0,0|1,0,1]=4 421 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,2,0,0,0,0|1,0,1]=4 422 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,2,0,0,0,0|1,0,0]=3 423 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,2,0,0,0,0|1,0,0]=3 425 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,2,0,0,0,0|0,0,0]=2 426 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,2,0,0,0,0|1,0,0]=3 427 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,2,0,0,0,0|1,0,0]=3 428 B6R0.1 C=C(C#N)COC 34a_100138415774_100000694840 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,2,0,0,0,0|1,0,1]=4 430 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,2,0,0,0,0|1,0,1]=4 432 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,2,0,0,0,0|0,0,1]=3 433 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 436 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,2,0,0,0,0|1,0,0]=3 441 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,2,0,0,0,0|1,0,0]=3 443 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,2,0,0,0,0|0,0,0]=2 444 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,2,0,0,0,0|1,0,0]=3 445 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,2,0,0,0,0|1,0,0]=3 448 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,2,0,0,0,0|1,0,0]=3 449 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,2,0,0,0,0|1,0,0]=3 450 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,2,0,0,0,0|0,1,1]=4 451 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,2,0,0,0,0|0,1,1]=4 452 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,2,0,0,0,0|0,1,1]=4 455 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,2,0,0,0,0|1,0,0]=3 456 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,2,0,0,0,0|1,0,0]=3 457 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,2,0,0,0,0|1,0,0]=3 466 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,2,0,0,0,0|0,0,0]=2 467 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,2,0,0,0,0|0,0,0]=2 468 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,2,0,0,0,0|1,0,0]=3 469 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,2,0,0,0,0|0,0,0]=2 470 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,2,0,0,0,0|0,0,0]=2 471 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,2,0,0,0,0|0,0,0]=2 472 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,2,0,0,0,0|0,1,0]=3 473 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,2,0,0,0,0|0,1,0]=3 474 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,2,0,0,0,0|0,1,0]=3 475 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,2,0,0,0,0|0,1,0]=3 476 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,2,0,0,0,0|0,1,0]=3 477 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,2,0,0,0,0|0,0,2]=4 480 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,2,0,0,0,0|1,0,0]=3 481 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,2,0,0,0,0|1,0,0]=3 482 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,2,0,0,0,0|1,0,0]=3 483 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,2,0,0,0,0|0,0,0]=2 484 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,2,0,0,0,0|1,0,0]=3 485 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 486 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 487 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 489 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,2,0,0,0,0|2,0,0]=4 490 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,2,0,0,0,0|2,0,0]=4 492 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,2,0,0,0,0|2,0,0]=4 493 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 497 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,2,0,0,0,0|2,0,0]=4 498 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,2,0,0,0,0|2,0,0]=4 499 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,2,0,0,0,0|2,0,0]=4 500 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 501 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,2,0,0,0,0|1,0,0]=3 503 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,2,0,0,0,0|0,0,0]=2 504 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,2,0,0,0,0|0,0,0]=2 505 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 508 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,2,0,0,0,0|1,0,0]=3 509 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,2,0,0,0,0|1,0,0]=3 510 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,2,0,0,0,0|0,0,2]=4 514 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,2,0,0,0,0|0,1,1]=4 515 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,2,0,0,0,0|0,1,1]=4 516 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,2,0,0,0,0|0,1,1]=4 517 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,2,0,0,0,0|1,0,1]=4 518 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,2,0,0,0,0|1,0,1]=4 519 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,2,0,0,0,0|1,0,1]=4 520 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,2,0,0,0,0|1,0,1]=4 522 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,2,0,0,0,0|1,0,1]=4 523 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,2,0,0,0,0|1,0,1]=4 524 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,2,0,0,0,0|1,0,0]=3 528 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,2,0,0,0,0|1,0,0]=3 529 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,2,0,0,0,0|0,0,0]=2 530 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,2,0,0,0,0|1,0,0]=3 531 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,2,0,0,0,0|0,0,0]=2 532 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 533 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 534 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,2,0,0,0,0|0,0,0]=2 535 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,2,0,0,0,0|0,0,0]=2 536 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,2,0,0,0,0|0,0,0]=2 537 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,2,0,0,0,0|0,0,0]=2 538 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,2,0,0,0,0|0,1,0]=3 539 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,2,0,0,0,0|0,1,0]=3 540 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,2,0,0,0,0|0,1,0]=3 541 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,2,0,0,0,0|0,1,0]=3 542 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,2,0,0,0,0|0,1,0]=3 543 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,2,0,0,0,0|0,1,0]=3 544 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,2,0,0,0,0|0,1,0]=3 545 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,2,0,0,0,0|0,1,0]=3 546 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,2,0,0,0,0|1,0,1]=4 547 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,2,0,0,0,0|1,0,1]=4 549 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,2,0,0,0,0|1,0,0]=3 557 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,2,0,0,0,0|1,0,0]=3 558 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,2,0,0,0,0|1,0,0]=3 559 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,2,0,0,0,0|1,0,0]=3 560 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 562 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,2,0,0,0,0|0,0,2]=4 563 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,2,0,0,0,0|0,0,2]=4 564 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,2,0,0,0,0|1,0,1]=4 566 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,2,0,0,0,0|1,0,1]=4 567 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 568 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 569 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,2,0,0,0,0|0,0,2]=4 570 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,2,0,0,0,0|0,0,2]=4 571 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,2,0,0,0,0|0,0,2]=4 572 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,2,0,0,0,0|0,0,0]=2 573 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,2,0,0,0,0|2,0,0]=4 575 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,2,0,0,0,0|2,0,0]=4 576 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,2,0,0,0,0|0,1,0]=3 580 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,2,0,0,0,0|0,1,0]=3 581 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,2,0,0,0,0|0,1,0]=3 582 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,2,0,0,0,0|0,1,0]=3 583 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,2,0,0,0,0|0,0,2]=4 584 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,2,0,0,0,0|0,0,2]=4 585 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,2,0,0,0,0|0,0,0]=2 586 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,2,0,0,0,0|0,0,2]=4 589 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,2,0,0,0,0|0,0,2]=4 590 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,2,0,0,0,0|0,1,1]=4 591 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,2,0,0,0,0|0,1,1]=4 592 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,2,0,0,0,0|0,1,1]=4 593 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,2,0,0,0,0|0,1,1]=4 594 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,2,0,0,0,0|1,0,1]=4 595 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,2,0,0,0,0|0,0,2]=4 596 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,2,0,0,0,0|0,0,2]=4 597 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,2,0,0,0,0|1,0,1]=4 598 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,2,0,0,0,0|0,0,2]=4 599 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,2,0,0,0,0|0,0,2]=4 600 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,2,0,0,0,0|0,0,2]=4 601 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,2,0,0,0,0|0,0,2]=4 602 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,2,0,0,0,0|0,1,1]=4 604 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,2,0,0,0,0|0,1,1]=4 605 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,2,0,0,0,0|0,1,0]=3 606 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,2,0,0,0,0|0,0,2]=4 607 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,2,0,0,0,0|0,0,2]=4 608 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,2,0,0,0,0|0,1,1]=4 609 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,2,0,0,0,0|0,1,1]=4 610 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,2,0,0,0,0|0,0,2]=4 611 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,2,0,0,0,0|0,0,2]=4 612 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,2,0,0,0,0|0,1,1]=4 613 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,2,0,0,0,0|0,1,1]=4 614 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 615 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 616 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,2,0,0,0,0|0,1,1]=4 617 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,2,0,0,0,0|0,1,1]=4 618 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,2,0,0,0,0|0,0,0]=2 620 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,2,0,0,0,0|1,0,1]=4 621 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,2,0,0,0,0|0,0,0]=2 624 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,2,0,0,0,0|0,0,0]=2 625 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,2,0,0,0,0|0,0,0]=2 626 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,2,0,0,0,0|0,0,2]=4 628 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,2,0,0,0,0|1,0,1]=4 630 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,2,0,0,0,0|0,0,2]=4 631 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,2,0,0,0,0|0,0,2]=4 632 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,2,0,0,0,0|0,0,2]=4 633 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,2,0,0,0,0|0,0,2]=4 634 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 636 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 637 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,2,0,0,0,0|2,0,0]=4 639 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 640 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,2,0,0,0,0|2,0,0]=4 641 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,2,0,0,0,0|1,0,0]=3 642 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,2,0,0,0,0|1,0,1]=4 643 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,2,0,0,0,0|1,0,1]=4 644 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,2,0,0,0,0|0,0,1]=3 650 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,2,0,0,0,0|0,0,1]=3 651 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,2,0,0,0,0|0,0,1]=3 652 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,2,0,0,0,0|0,0,0]=2 655 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,2,0,0,0,0|0,0,0]=2 658 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,2,0,0,0,0|0,0,1]=3 659 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,2,0,0,0,0|0,1,0]=3 660 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,2,0,0,0,0|2,0,0]=4 666 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,2,0,0,0,0|2,0,0]=4 667 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,2,0,0,0,0|2,0,0]=4 668 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,2,0,0,0,0|2,0,0]=4 669 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,2,0,0,0,0|2,0,0]=4 670 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,2,0,0,0,0|2,0,0]=4 671 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,2,0,0,0,0|2,0,0]=4 672 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,2,0,0,0,0|2,0,0]=4 674 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,2,0,0,0,0|1,0,0]=3 676 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,2,0,0,0,0|2,0,0]=4 677 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,2,0,0,0,0|2,0,0]=4 678 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,2,0,0,0,0|2,0,0]=4 679 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,2,0,0,0,0|0,0,0]=2 680 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,2,0,0,0,0|2,0,0]=4 681 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,2,0,0,0,0|2,0,0]=4 682 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,2,0,0,0,0|0,1,0]=3 683 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,2,0,0,0,0|1,0,1]=4 684 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,2,0,0,0,0|0,0,1]=3 685 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,2,0,0,0,0|1,0,0]=3 687 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,2,0,0,0,0|1,0,1]=4 688 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,2,0,0,0,0|1,0,1]=4 694 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,2,0,0,0,0|1,0,1]=4 695 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,2,0,0,0,0|1,0,0]=3 706 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,2,0,0,0,0|0,0,0]=2 708 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,2,0,0,0,0|0,1,0]=3 709 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,2,0,0,0,0|0,1,0]=3 710 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,2,0,0,0,0|0,0,0]=2 711 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,2,0,0,0,0|1,0,0]=3 712 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,2,0,0,0,0|0,0,0]=2 714 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,2,0,0,0,0|1,0,1]=4 720 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,2,0,0,0,0|1,0,0]=3 721 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,2,0,0,0,0|1,1,0]=4 722 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,2,0,0,0,0|1,1,0]=4 723 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,2,0,0,0,0|1,0,0]=3 724 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,2,0,0,0,0|0,0,0]=2 727 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 728 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,2,0,0,0,0|0,0,0]=2 732 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,2,0,0,0,0|0,0,0]=2 733 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,2,0,0,0,0|0,0,0]=2 737 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,2,0,0,0,0|0,0,0]=2 738 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,2,0,0,0,0|0,0,0]=2 743 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,2,0,0,0,0|0,0,0]=2 744 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,2,0,0,0,0|0,0,2]=4 745 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,2,0,0,0,0|0,0,2]=4 746 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,2,0,0,0,0|0,0,2]=4 747 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 750 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 758 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,2,0,0,0,0|0,0,0]=2 760 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,2,0,0,0,0|0,0,0]=2 762 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 763 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,2,0,0,0,0|0,0,0]=2 764 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,2,0,0,0,0|1,0,0]=3 765 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,2,0,0,0,0|1,0,0]=3 766 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,2,0,0,0,0|2,0,0]=4 771 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,2,0,0,0,0|2,0,0]=4 772 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,2,0,0,0,0|2,0,0]=4 773 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,2,0,0,0,0|0,0,0]=2 777 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,2,0,0,0,0|0,0,0]=2 778 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,2,0,0,0,0|0,0,0]=2 780 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,2,0,0,0,0|1,0,0]=3 784 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,2,0,0,0,0|1,0,0]=3 785 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 786 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,2,0,0,0,0|0,1,0]=3 788 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,2,0,0,0,0|0,1,0]=3 789 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,2,0,0,0,0|0,1,0]=3 790 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,2,0,0,0,0|1,1,0]=4 791 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,2,0,0,0,0|1,1,0]=4 792 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,2,0,0,0,0|0,1,0]=3 793 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,2,0,0,0,0|1,1,0]=4 794 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,2,0,0,0,0|1,1,0]=4 795 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,2,0,0,0,0|1,1,0]=4 796 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,2,0,0,0,0|1,1,0]=4 797 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,2,0,0,0,0|2,0,0]=4 798 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,2,0,0,0,0|2,0,0]=4 799 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,2,0,0,0,0|0,0,0]=2 800 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,2,0,0,0,0|1,0,1]=4 803 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,2,0,0,0,0|2,0,0]=4 804 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,2,0,0,0,0|0,0,0]=2 805 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,2,0,0,0,0|0,0,0]=2 807 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,2,0,0,0,0|0,0,0]=2 808 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,2,0,0,0,0|1,1,0]=4 809 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,2,0,0,0,0|1,1,0]=4 810 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,2,0,0,0,0|1,1,0]=4 811 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,2,0,0,0,0|1,1,0]=4 812 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,2,0,0,0,0|1,0,0]=3 813 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,2,0,0,0,0|1,0,0]=3 814 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,2,0,0,0,0|1,0,0]=3 816 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,2,0,0,0,0|1,0,0]=3 817 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,2,0,0,0,0|1,0,0]=3 818 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,2,0,0,0,0|1,0,0]=3 820 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,2,0,0,0,0|1,0,1]=4 821 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,2,0,0,0,0|1,0,1]=4 822 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 823 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,2,0,0,0,0|2,0,0]=4 824 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,2,0,0,0,0|2,0,0]=4 825 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,2,0,0,0,0|1,0,0]=3 826 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,2,0,0,0,0|1,0,0]=3 827 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,2,0,0,0,0|1,0,0]=3 828 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,2,0,0,0,0|1,1,0]=4 829 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,2,0,0,0,0|1,1,0]=4 830 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,2,0,0,0,0|1,1,0]=4 831 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,2,0,0,0,0|1,1,0]=4 832 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,2,0,0,0,0|2,0,0]=4 833 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,2,0,0,0,0|1,0,0]=3 834 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,2,0,0,0,0|1,0,0]=3 835 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,2,0,0,0,0|1,0,0]=3 836 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,2,0,0,0,0|1,1,0]=4 837 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,2,0,0,0,0|1,1,0]=4 838 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,2,0,0,0,0|1,1,0]=4 839 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,2,0,0,0,0|1,1,0]=4 840 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,2,0,0,0,0|1,0,1]=4 841 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,2,0,0,0,0|1,0,1]=4 842 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,2,0,0,0,0|1,0,1]=4 843 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,2,0,0,0,0|1,0,1]=4 844 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,2,0,0,0,0|1,0,1]=4 845 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,2,0,0,0,0|1,0,0]=3 846 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,2,0,0,0,0|1,0,0]=3 847 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,2,0,0,0,0|1,0,0]=3 848 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,2,0,0,0,0|1,0,0]=3 849 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,2,0,0,0,0|1,0,0]=3 850 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,2,0,0,0,0|1,0,0]=3 851 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,2,0,0,0,0|1,0,0]=3 852 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,2,0,0,0,0|2,0,0]=4 853 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,2,0,0,0,0|1,0,0]=3 854 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,2,0,0,0,0|1,1,0]=4 855 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,2,0,0,0,0|1,1,0]=4 856 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,2,0,0,0,0|0,0,0]=2 857 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,2,0,0,0,0|1,0,0]=3 858 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,2,0,0,0,0|1,0,0]=3 859 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,2,0,0,0,0|1,0,0]=3 860 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,2,0,0,0,0|0,0,0]=2 861 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 862 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,2,0,0,0,0|0,0,0]=2 863 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,2,0,0,0,0|0,1,0]=3 864 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,2,0,0,0,0|0,1,0]=3 865 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,2,0,0,0,0|0,0,0]=2 866 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,2,0,0,0,0|1,0,0]=3 867 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,2,0,0,0,0|1,0,0]=3 868 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 869 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 870 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,2,0,0,0,0|1,0,0]=3 871 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,2,0,0,0,0|1,0,0]=3 872 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,2,0,0,0,0|0,0,0]=2 873 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,2,0,0,0,0|0,0,0]=2 874 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,2,0,0,0,0|0,1,0]=3 875 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,2,0,0,0,0|0,1,0]=3 876 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,2,0,0,0,0|1,0,1]=4 877 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,2,0,0,0,0|1,0,1]=4 878 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,2,0,0,0,0|1,0,1]=4 879 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,2,0,0,0,0|1,0,1]=4 880 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,2,0,0,0,0|1,0,1]=4 881 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,2,0,0,0,0|1,0,1]=4 882 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,2,0,0,0,0|1,0,1]=4 883 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,2,0,0,0,0|1,0,1]=4 884 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,2,0,0,0,0|1,0,1]=4 886 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,2,0,0,0,0|1,0,1]=4 887 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,2,0,0,0,0|1,0,1]=4 888 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,2,0,0,0,0|1,0,1]=4 889 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,2,0,0,0,0|1,0,0]=3 890 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,2,0,0,0,0|1,0,0]=3 891 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,2,0,0,0,0|1,0,0]=3 892 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,2,0,0,0,0|1,0,1]=4 893 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,2,0,0,0,0|1,0,0]=3 894 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,2,0,0,0,0|1,0,0]=3 895 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,2,0,0,0,0|1,0,0]=3 896 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,2,0,0,0,0|1,0,0]=3 897 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,2,0,0,0,0|1,0,0]=3 898 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,2,0,0,0,0|1,0,0]=3 899 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,2,0,0,0,0|1,0,0]=3 900 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 902 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,2,0,0,0,0|1,0,0]=3 903 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,2,0,0,0,0|1,0,0]=3 904 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,2,0,0,0,0|2,0,0]=4 906 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,2,0,0,0,0|2,0,0]=4 907 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,2,0,0,0,0|1,0,0]=3 908 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,2,0,0,0,0|0,0,0]=2 909 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,2,0,0,0,0|0,0,0]=2 910 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,2,0,0,0,0|1,0,0]=3 911 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,2,0,0,0,0|0,0,0]=2 912 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,2,0,0,0,0|1,0,0]=3 913 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,2,0,0,0,0|1,0,1]=4 914 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,2,0,0,0,0|1,0,1]=4 915 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,2,0,0,0,0|1,0,1]=4 916 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,2,0,0,0,0|0,0,2]=4 918 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,2,0,0,0,0|2,0,0]=4 919 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,2,0,0,0,0|1,0,1]=4 920 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,2,0,0,0,0|1,0,1]=4 921 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,2,0,0,0,0|0,0,2]=4 922 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,2,0,0,0,0|2,0,0]=4 923 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,2,0,0,0,0|0,1,0]=3 924 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,2,0,0,0,0|1,1,0]=4 925 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,2,0,0,0,0|1,1,0]=4 926 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,2,0,0,0,0|0,1,0]=3 927 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,2,0,0,0,0|1,1,0]=4 928 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,2,0,0,0,0|1,1,0]=4 929 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,2,0,0,0,0|2,0,0]=4 930 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,2,0,0,0,0|2,0,0]=4 931 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,2,0,0,0,0|2,0,0]=4 932 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,2,0,0,0,0|2,0,0]=4 933 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,2,0,0,0,0|2,0,0]=4 934 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,2,0,0,0,0|2,0,0]=4 935 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 936 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,2,0,0,0,0|2,0,0]=4 937 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,2,0,0,0,0|2,0,0]=4 938 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,2,0,0,0,0|2,0,0]=4 939 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,2,0,0,0,0|1,0,0]=3 940 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,2,0,0,0,0|2,0,0]=4 941 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,2,0,0,0,0|2,0,0]=4 942 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,2,0,0,0,0|2,0,0]=4 943 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,2,0,0,0,0|1,0,0]=3 944 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,2,0,0,0,0|1,0,0]=3 945 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,2,0,0,0,0|0,0,1]=3 946 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,2,0,0,0,0|0,0,1]=3 947 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,2,0,0,0,0|1,0,0]=3 948 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,2,0,0,0,0|1,0,0]=3 949 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,2,0,0,0,0|0,0,0]=2 950 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,2,0,0,0,0|0,0,0]=2 951 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 952 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,2,0,0,0,0|0,0,0]=2 953 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 954 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,2,0,0,0,0|1,0,0]=3 955 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,2,0,0,0,0|1,0,0]=3 956 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,2,0,0,0,0|0,0,0]=2 957 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,2,0,0,0,0|1,0,1]=4 958 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,2,0,0,0,0|1,0,1]=4 959 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,2,0,0,0,0|1,0,1]=4 960 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,2,0,0,0,0|1,0,1]=4 961 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,2,0,0,0,0|0,0,2]=4 962 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 963 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,2,0,0,0,0|2,0,0]=4 964 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,2,0,0,0,0|2,0,0]=4 965 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,2,0,0,0,0|2,0,0]=4 966 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 967 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,2,0,0,0,0|2,0,0]=4 968 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,2,0,0,0,0|1,0,1]=4 970 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,2,0,0,0,0|0,0,0]=2 971 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,2,0,0,0,0|1,0,1]=4 972 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,2,0,0,0,0|1,0,1]=4 973 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,2,0,0,0,0|1,0,1]=4 974 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,2,0,0,0,0|1,1,0]=4 975 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,2,0,0,0,0|1,1,0]=4 976 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,2,0,0,0,0|0,1,0]=3 977 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,2,0,0,0,0|0,1,0]=3 978 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,2,0,0,0,0|0,1,0]=3 979 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,2,0,0,0,0|0,1,0]=3 980 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,2,0,0,0,0|1,1,0]=4 981 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,2,0,0,0,0|1,1,0]=4 982 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,2,0,0,0,0|0,1,0]=3 983 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,2,0,0,0,0|0,1,0]=3 984 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,2,0,0,0,0|0,1,0]=3 985 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,2,0,0,0,0|1,0,1]=4 986 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,2,0,0,0,0|1,0,1]=4 987 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,2,0,0,0,0|1,0,1]=4 988 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,2,0,0,0,0|1,1,0]=4 989 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,2,0,0,0,0|1,1,0]=4 990 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,2,0,0,0,0|2,0,0]=4 991 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,2,0,0,0,0|1,1,0]=4 992 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,2,0,0,0,0|1,1,0]=4 993 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,2,0,0,0,0|0,0,0]=2 994 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,2,0,0,0,0|1,0,0]=3 995 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,2,0,0,0,0|1,0,0]=3 996 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 997 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,2,0,0,0,0|1,0,0]=3 998 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,2,0,0,0,0|1,1,0]=4 999 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,2,0,0,0,0|1,1,0]=4 1000 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|1,0,1]=4 1001 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,2,0,0,0,0|1,0,1]=4 1002 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,2,0,0,0,0|2,0,0]=4 1003 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|1,0,1]=4 1004 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|1,0,1]=4 1005 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|1,0,1]=4 1006 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|0,0,2]=4 1007 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,2,0,0,0,0|1,0,1]=4 1008 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,2,0,0,0,0|2,0,0]=4 1009 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|1,0,1]=4 1010 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,2,0,0,0,0|2,0,0]=4 1011 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,2,0,0,0,0|2,0,0]=4 1012 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,2,0,0,0,0|2,0,0]=4 1013 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|1,0,1]=4 1014 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 1015 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,2,0,0,0,0|2,0,0]=4 1016 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [0,2,0,0,0,0|1,0,1]=4 1017 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [0,2,0,0,0,0|1,0,1]=4 1018 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [0,2,0,0,0,0|1,0,1]=4 1019 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [0,2,0,0,0,0|1,0,1]=4 1020 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 1021 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,2,0,0,0,0|1,0,1]=4 1022 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 1023 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,2,0,0,0,0|1,0,1]=4 1024 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,2,0,0,0,0|1,0,1]=4 1025 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,2,0,0,0,0|1,0,1]=4 1026 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,2,0,0,0,0|0,0,2]=4 1027 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,2,0,0,0,0|0,0,2]=4 1028 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|1,0,0]=3 1029 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|1,0,0]=3 1030 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|0,0,0]=2 1031 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,2,0,0,0,0|1,0,0]=3 1032 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,2,0,0,0,0|1,0,0]=3 1033 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|1,0,0]=3 1034 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|1,0,0]=3 1035 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|0,0,0]=2 1036 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,2,0,0,0,0|1,0,0]=3 1037 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [0,1,0,1,0,0|1,0,1]=4 1038 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [0,1,0,1,0,0|1,0,1]=4 1039 B6R1.3 COCC1CO1 34a_100138415774_102125554688 [0,1,0,1,0,0|0,0,2]=4 1040 B6R1.3 COC[C@@H]1CO1 34a_100000757423_200000210301 [0,1,0,1,0,0|0,0,2]=4 1041 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [0,1,0,1,0,0|1,0,1]=4 1042 B6R1.3 [13CH3]OC[C@@H]1CO1 34a_100000757423_200025704644 [0,1,0,1,0,0|0,0,2]=4 1043 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,1,0,1,0,0|2,0,0]=4 1044 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,1,0,1,0,0|2,0,0]=4 1045 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,1,0,1,0,0|1,0,0]=3 1046 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,1,0,1,0,0|0,0,0]=2 1047 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,1,0,1,0,0|1,0,0]=3 1048 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,1,0,1,0,0|0,0,0]=2 1049 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,1,0,1,0,0|1,0,1]=4 1050 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,1,0,1,0,0|1,0,1]=4 1051 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,1,0,1,0,0|1,0,1]=4 1052 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,1,0,1,0,0|0,0,2]=4 1053 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,1,0,1,0,0|0,1,1]=4 1054 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,1,0,1,0,0|1,0,1]=4 1055 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,1,0,1,0,0|0,1,1]=4