0 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,0,0,0,0,0|3,1,0]=4 1 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,0,0,0,0,0|3,1,0]=4 2 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,0,0,0,0|1,1,2]=4 6 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,0,0,0,0|3,1,0]=4 25 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,0,0,0,0,0|3,1,0]=4 33 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,0,0,0,0,0|3,1,0]=4 34 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,0,0,0,0,0|1,1,2]=4 43 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|0,1,2]=4 44 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,1,0]=4 60 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,1,0]=4 83 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,1,0]=4 85 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,1,0]=4 86 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,1,0]=4 87 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,1,0]=4 88 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,1,0]=4 89 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,1,0]=4 90 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,1,0]=4 96 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,1,0]=4 97 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,1,0]=4 100 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,1,0]=4 101 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,0,0,0,0,0|1,2,0]=4 104 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,1,0]=4 105 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,1,0]=4 108 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,1,0]=4 110 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,1,0]=4 111 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|1,2,0]=4 122 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|1,2,0]=4 123 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,1,0]=4 125 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,1,0]=4 127 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,1,0]=4 139 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,1,0]=4 140 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,1,0]=4 141 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,1,0]=4 158 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,1,0]=4 159 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|3,0,0]=4 163 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|1,1,0]=3 185 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|1,1,0]=3 186 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|1,1,0]=3 187 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|2,1,0]=4 193 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|1,1,0]=3 196 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|1,1,0]=3 203 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|1,1,0]=3 204 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,1,0]=4 209 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,1,0]=4 210 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|2,1,0]=4 213 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|1,1,0]=3 217 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|1,1,0]=3 218 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,1,0,0,0,0|2,1,0]=4 239 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,1,0,0,0,0|2,1,0]=4 240 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,1,0,0,0,0|2,1,0]=4 241 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,1,0,0,0,0|2,1,0]=4 242 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,1,0,0,0,0|0,2,0]=3 246 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,1,0,0,0,0|0,2,0]=3 247 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,1,0,0,0,0|0,2,0]=3 248 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,1,0,0,0,0|0,2,0]=3 250 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,1,0,0,0,0|0,2,0]=3 251 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,1,0,0,0,0|0,2,0]=3 253 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,1,0,0,0,0|0,2,0]=3 254 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,1,0,0,0,0|0,2,0]=3 255 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,1,0,0,0,0|0,2,0]=3 257 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,1,0,0,0,0|0,2,0]=3 258 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|2,0,0]=4 259 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|2,0,0]=4 261 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|2,0,0]=4 267 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|2,0,0]=4 270 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|1,1,0]=4 271 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|1,1,0]=4 272 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|1,1,0]=4 273 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|1,1,0]=4 274 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|1,1,0]=4 275 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|1,1,0]=4 276 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|1,1,0]=4 277 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,2]=4 278 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,2]=4 279 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 280 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|2,0,0]=4 281 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 282 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|2,0,0]=4 284 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,1,0]=4 290 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,1,0]=4 291 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,1,0]=4 292 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,1,0]=4 293 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|2,0,0]=4 294 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|2,0,0]=4 323 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|2,0,0]=4 342 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|2,0,0]=4 345 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|2,0,0]=4 348 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|2,0,0]=4 350 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|2,0,0]=4 351 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|2,0,0]=4 353 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|2,0,0]=4 354 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|2,0,0]=4 357 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,1,0]=4 361 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|2,0,0]=4 363 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,1,0]=4 364 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,1,0]=4 365 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|1,1,0]=4 366 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|1,1,0]=4 367 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|2,0,0]=4 368 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|2,0,0]=4 369 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,1,0]=4 371 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,1,0]=4 372 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|2,0,0]=4 373 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,1,0]=4 375 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,1,0]=4 376 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|1,1,0]=4 379 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|1,1,0]=4 380 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|1,1,0]=4 381 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|1,1,0]=4 382 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|1,1,0]=4 383 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|2,0,0]=4 386 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,1,0]=4 387 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,1,0]=4 388 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,1,0]=4 389 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,1,0]=4 390 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,1,0]=4 393 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,1,0]=4 394 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,1,0,0,0,0|0,2,0]=4 397 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,1,0,0,0,0|0,2,0]=4 398 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,1,0,0,0,0|0,2,0]=4 399 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,1,0,0,0,0|0,2,0]=4 400 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,1,0,0,0,0|1,1,0]=4 401 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,1,0,0,0,0|1,1,0]=4 402 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|1,1,0]=4 403 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|1,1,0]=4 404 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|1,1,0]=4 405 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|1,1,0]=4 406 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,1,0]=4 407 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,1,0]=4 408 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,1,0]=4 409 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|2,0,0]=4 410 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,1,0]=4 411 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,1,0]=4 412 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|2,0,0]=4 414 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,2,0,0,0,0|1,1,0]=4 423 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,2,0,0,0,0|1,1,0]=4 427 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,2,0,0,0,0|1,1,0]=4 428 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,2,0,0,0,0|1,1,0]=4 432 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,2,0,0,0,0|1,1,0]=4 437 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,2,0,0,0,0|1,1,0]=4 443 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,2,0,0,0,0|1,1,0]=4 444 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,2,0,0,0,0|1,1,0]=4 447 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,2,0,0,0,0|1,1,0]=4 448 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,2,0,0,0,0|1,1,0]=4 449 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,2,0,0,0,0|1,1,0]=4 450 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,2,0,0,0,0|0,2,0]=4 451 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,2,0,0,0,0|0,2,0]=4 452 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|2,0,0]=4 475 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|1,1,0]=4 476 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|1,1,0]=4 477 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|2,0,0]=4 483 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|2,0,0]=4 484 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|2,0,0]=4 486 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|2,0,0]=4 487 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|2,0,0]=4 488 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|2,0,0]=4 489 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|2,0,0]=4 491 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|2,0,0]=4 492 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|2,0,0]=4 495 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,2,0,0,0,0|0,2,0]=4 499 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,2,0,0,0,0|0,2,0]=4 500 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,2,0,0,0,0|0,2,0]=4 501 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,2,0,0,0,0|0,2,0]=4 503 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,2,0,0,0,0|0,2,0]=4 504 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|1,1,0]=4 505 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|1,1,0]=4 506 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.12 FCOC(CCl)CCl 7a_100000737055_100015361967 [0,2,0,0,0,0|0,2,0]=4 509 B7R0.12 FCOC(CF)CF 34a_100000032261_100015361967 [0,2,0,0,0,0|0,2,0]=4 510 B7R0.12 FCOC(CF)CF 7a_100000032261_100015361967 [0,2,0,0,0,0|0,2,0]=4 511 B7R0.12 FCO[C@@H](CF)CCl 34a_100015614560_100015361967 [0,2,0,0,0,0|0,2,0]=4 512 B7R0.12 FCO[C@@H](CF)CCl 7a_100015614560_100015361967 [0,2,0,0,0,0|0,2,0]=4 513 B7R0.12 NCC(CN)OCF 34a_100000031598_100015361967 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,2,0,0,0,0|2,0,0]=4 522 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|2,0,0]=4