0 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,0,1,0,0,0|2,0,1]=4 14 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,0,1,0,0,0|2,0,1]=4 16 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,0,1,0,0,0|2,0,1]=4 17 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,0,1,0,0,0|2,0,1]=4 18 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,0,1,0,0,0|2,1,0]=4 21 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,0,1,0,0,0|2,1,0]=4 22 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,0,1,0,0,0|2,1,0]=4 23 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,0,1,0,0,0|2,1,0]=4 24 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,0,1,0,0,0|2,1,0]=4 25 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,0,1,0,0,0|2,1,0]=4 26 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,0,1,0,0,0|1,1,0]=3 27 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,1,0,0,0|3,0,0]=4 30 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,1,0,0,0|2,1,0]=4 33 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,1,0,0,0|2,0,0]=3 37 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,0,1,0,0,0|2,0,0]=3 38 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,1,0,0,0|3,0,0]=4 44 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,1,0,0,0|3,0,0]=4 45 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,0,1,0,0,0|2,1,0]=4 46 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,0,1,0,0,0|2,1,0]=4 47 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,0,1,0,0,0|2,1,0]=4 48 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,1,0,0,0|3,0,0]=4 50 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,1,0,0,0|2,1,0]=4 51 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,0,1,0,0,0|3,0,0]=4 57 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,0,1,0,0,0|3,0,0]=4 58 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,0,1,0,0,0|3,0,0]=4 59 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,0,1,0,0,0|3,0,0]=4 60 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,0,1,0,0,0|3,0,0]=4 61 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,0,1,0,0,0|3,0,0]=4 62 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,0,1,0,0,0|2,1,0]=4 69 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,0,1,0,0,0|2,1,0]=4 70 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,0,1,0,0,0|2,1,0]=4 71 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,0,1,0,0,0|1,1,0]=3 72 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,0,1,0,0,0|1,1,0]=3 73 B7R0.3 N#CC(F)SCCO 62a_100000211926_200000117898 [0,0,1,0,0,0|2,0,1]=4 74 B7R0.3 N#CC(F)SCCO 62a_200000117898_100000211926 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,0,1,0,0,0|3,0,0]=4 76 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,0,1,0,0,0|3,0,0]=4 78 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,0,1,0,0,0|3,0,0]=4 79 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,1,0,0,0|3,0,0]=4 82 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,1,0,0,0|3,0,0]=4 83 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,1,0,0,0|2,1,0]=4 86 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,1,0,0,0|2,0,0]=3 89 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,1,0,0,0|2,0,0]=3 90 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,1,0,0,0|2,1,0]=4 95 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,1,0,0,0|2,0,0]=3 96 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,1,0,0,0|2,0,0]=3 97 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,0,1,0|3,0,0]=4 98 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,0,1,0|3,0,0]=4 99 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,0,1,0|3,0,0]=4 100 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,0,1,0|3,0,0]=4 101 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,1,0,0,0|1,0,1]=4 102 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,1,0,0,0|1,0,1]=4 103 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,1,0,0,0|1,0,1]=4 104 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,1,0,0,0|1,0,1]=4 105 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,1,0,0,0|1,0,0]=3 106 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,1,0,0,0|1,0,0]=3 107 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 113 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,1,0,0,0|1,1,0]=4 117 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,1,0,0,0|1,0,0]=3 118 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,1,0,0,0|1,0,0]=3 119 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,1,0,0,0|1,0,0]=3 120 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,1,0,0,0|1,0,0]=3 121 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|1,1,0]=4 128 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|1,1,0]=4 129 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|1,1,0]=4 130 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,1,0,0,0|2,0,0]=4 134 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,1,0,0,0|1,1,0]=4 141 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,0,1,0,0,0|1,1,0]=4 142 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,0,1,0,0,0|1,1,0]=4 143 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,0,1,0,0,0|1,1,0]=4 144 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,0,1,0,0,0|1,1,0]=4 145 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,1,0,0,0|1,0,0]=3 146 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,1,0,0,0|1,1,0]=4 168 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,1,0,0,0|2,0,0]=4 170 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,1,0,0,0|1,0,0]=3 171 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,1,0,0,0|1,0,0]=3 172 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,0,1,0,0,0|2,0,0]=4 173 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,0,1,0,0,0|1,0,0]=3 174 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,0,1,0,0,0|1,0,0]=3 175 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,1,0,0,0|2,0,0]=4 176 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|1,1,0]=4 182 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|1,1,0]=4 183 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,1,0,0,0|1,0,0]=3 186 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,1,0,0,0|1,0,0]=3 187 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,0,1,0,0,0|2,0,0]=4 188 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,1,0,0,0|1,0,0]=3 190 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,1,0,0,0|1,0,0]=3 191 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,0,1,0,0,0|1,0,0]=3 192 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,0,1,0,0,0|1,0,0]=3 193 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,1,0,0,0|1,0,1]=4 194 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,1,0,0,0|1,0,1]=4 195 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,1,0,0,0|1,0,1]=4 196 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|1,1,0]=4 207 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|1,0,0]=3 211 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|1,0,0]=3 212 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,1,0,0,0|1,1,0]=4 215 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,1,0,0,0|1,1,0]=4 216 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,1,0,0,0|1,1,0]=4 217 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,1,0,0,0|1,1,0]=4 218 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,1,0,0,0|1,1,0]=4 219 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,1,0,0,0|1,1,0]=4 220 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,1,0,0,0|1,1,0]=4 221 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,1,0,0,0|2,0,0]=4 224 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,1,0,0,0|1,1,0]=4 227 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,1,0,0,0|1,1,0]=4 228 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,1,0,0,0|1,1,0]=4 229 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,1,0,0,0|1,1,0]=4 230 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,1,0,0,0|1,1,0]=4 231 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,1,0,0,0|1,1,0]=4 232 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,1,0,0,0|1,1,0]=4 233 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,1,0,0,0|1,0,0]=3 234 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,1,0,0,0|1,0,0]=3 235 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,1,0,0,0|1,0,0]=3 236 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,1,0,0,0|1,0,0]=3 237 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,1,0,0,0|1,0,0]=3 238 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,1,0,0,0|1,0,0]=3 239 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 241 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 242 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,1,0,0,0|2,0,0]=4 243 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,1,0,0,0|1,1,0]=4 245 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,1,0,0,0|1,1,0]=4 246 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,1,0,0,0|1,1,0]=4 247 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,1,0,0,0|2,0,0]=4 248 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,1,0,0,0|2,0,0]=4 249 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [1,0,1,0,0,0|1,0,1]=4 250 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [1,0,1,0,0,0|1,0,1]=4 251 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,1,0,0,0|2,0,0]=4 252 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,1,0,0,0|2,0,0]=4 253 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,1,0,0,0|1,0,0]=3 254 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,1,0,0,0|1,0,0]=3 255 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,1,0,0,0|1,1,0]=4 256 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,1,0,0,0|1,1,0]=4 257 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [1,0,1,0,0,0|1,0,1]=4 258 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [1,0,1,0,0,0|1,0,1]=4 259 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,1,0,0,0|1,0,0]=3 260 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,1,0,0,0|1,0,0]=3 261 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,1,0,0,0|2,0,0]=4 262 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,1,0,0,0|2,0,0]=4 263 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,1,0,0,0|2,0,0]=4 264 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,1,0,0,0|2,0,0]=4 265 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,1,0,0,0|1,0,1]=4 267 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,1,0,0,0|1,0,1]=4 268 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,1,0,0,0|1,1,0]=4 269 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|0,1,1]=4 270 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|0,1,1]=4 271 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,1,0,0,0|2,0,0]=4 273 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,1,0,0,0|2,0,0]=4 274 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,1,0,0,0|1,1,0]=4 275 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,1,0,0,0|1,1,0]=4 276 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,1,0,0,0|1,1,0]=4 277 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,1,0,0,0|1,0,0]=3 278 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,1,0,0,0|1,0,0]=3 279 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,1,0,0,0|0,1,0]=3 280 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 281 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 282 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [1,0,1,0,0,0|1,0,1]=4 283 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,1,0,0,0|2,0,0]=4 285 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,1,0,0,0|2,0,0]=4 286 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,1,0,0,0|1,0,0]=3 287 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,1,0,0,0|1,0,0]=3 288 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [1,0,1,0,0,0|1,0,1]=4 289 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [1,0,1,0,0,0|1,0,1]=4 290 B8R0.1 CC(CC#N)SCCO 62a_100000211926_100009813641 [0,1,1,0,0,0|2,0,0]=4 291 B8R0.1 CC(CC#N)SCCO 62a_100009813641_100000211926 [0,1,1,0,0,0|2,0,0]=4 292 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,1,0,0,0|1,1,0]=4 293 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,1,0,0,0|1,1,0]=4 294 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,1,0,0,0|2,0,0]=4 296 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,1,1,0,0,0|1,1,0]=4 297 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,1,1,0,0,0|1,1,0]=4 298 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,1,1,0,0,0|1,1,0]=4 299 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,1,1,0,0,0|1,1,0]=4 300 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,1,1,0,0,0|1,1,0]=4 301 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,1,1,0,0,0|1,1,0]=4 302 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,1,1,0,0,0|2,0,0]=4 303 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,1,0,0,0|2,0,0]=4 304 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,1,0,0,0|1,1,0]=4 305 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,1,1,0,0,0|2,0,0]=4 306 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,1,1,0,0,0|1,0,1]=4 307 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,1,1,0,0,0|1,0,1]=4 308 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,1,1,0,0,0|1,0,1]=4 309 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,1,1,0,0,0|1,0,1]=4 310 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,1,0,0,0|2,0,0]=4 311 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,1,0,0,0|2,0,0]=4 312 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,1,0,0,0|1,1,0]=4 313 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,1,0,0,0|2,0,0]=4 314 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,1,1,0,0,0|2,0,0]=4 317 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,1,0,0,0|2,0,0]=4 318 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,1,0,0,0|2,0,0]=4 319 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,1,1,0,0,0|2,0,0]=4 320 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,1,1,0,0,0|2,0,0]=4 321 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,1,0,0,0|2,0,0]=4 324 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,1,1,0,0,0|2,0,0]=4 326 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,1,0,0,0|1,0,1]=4 328 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,1,0,0,0|1,0,1]=4 329 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,1,0,0,0|2,0,0]=4 330 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,1,0,0,0|2,0,0]=4 331 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,1,0,0,0|1,0,0]=3 332 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,1,0,0,0|1,0,0]=3 333 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,1,0,0,0|1,0,0]=3 334 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,1,0,0,0|1,0,0]=3 335 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,1,0,0,0|1,1,0]=4 336 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,1,0,0,0|1,1,0]=4 337 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,1,0,0,0|1,1,0]=4 340 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,1,0,0,0|1,1,0]=4 341 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,1,0,0,0|1,1,0]=4 344 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,1,0,0,0|1,1,0]=4 345 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,1,0,0,0|2,0,0]=4 346 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,1,1,0,0,0|2,0,0]=4 349 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,1,1,0,0,0|1,1,0]=4 350 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,1,1,0,0,0|1,1,0]=4 351 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,1,1,0,0,0|1,1,0]=4 352 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,1,1,0,0,0|2,0,0]=4 355 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,1,0,0,0|1,1,0]=4 359 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,1,0,0,0|1,1,0]=4 360 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,1,0,0,0|1,1,0]=4 361 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,1,0,0,0|1,1,0]=4 362 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,1,0,0,0|1,1,0]=4 363 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,1,0,0,0|1,1,0]=4 364 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,1,0,0,0|1,1,0]=4 365 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,1,0,0,0|1,1,0]=4 366 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,1,1,0,0,0|2,0,0]=4 368 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,1,0,0,0|1,1,0]=4 369 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,1,0,0,0|1,1,0]=4 370 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,1,0,0,0|1,1,0]=4 371 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,1,0,0,0|0,1,0]=3 372 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,1,0,0,0|0,1,0]=3 373 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,1,0,0,0|1,0,0]=3 374 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,1,0,0,0|1,0,0]=3 375 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,1,0,0,0|0,1,0]=3 376 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,1,0,0,0|0,1,0]=3 377 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,1,0,0,0|1,1,0]=4 378 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,1,0,0,0|1,1,0]=4 379 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,1,0,0,0|1,1,0]=4 382 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,1,0,0,0|1,1,0]=4 383 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,1,0,0,0|1,1,0]=4 384 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,1,0,0,0|1,1,0]=4 385 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,1,0,0,0|2,0,0]=4 386 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,1,0,0,0|2,0,0]=4 387 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,1,0,0,0|2,0,0]=4 388 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,1,0,0,0|2,0,0]=4 389 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,1,0,0,0|2,0,0]=4 391 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,1,0,0,0|1,1,0]=4 392 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,1,0,0,0|1,1,0]=4 393 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,1,1,0,0,0|2,0,0]=4 394 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,1,1,0,0,0|2,0,0]=4 395 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [0,1,1,0,0,0|1,1,0]=4 396 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [0,1,1,0,0,0|1,1,0]=4 397 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,1,1,0,0,0|2,0,0]=4 398 B8R0.11 COC(CSCF)OC 62a_100000751394_100015361967 [0,1,1,0,0,0|1,1,0]=4 399 B8R0.11 COC(CSCF)OC 62a_100015361967_100000751394 [0,1,1,0,0,0|1,1,0]=4 400 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,1,1,0,0,0|1,1,0]=4 401 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,1,0,0,0|1,1,0]=4 402 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,1,0,0,0|2,0,0]=4 405 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,1,0,0,0|1,1,0]=4 407 B8R0.25 CCC(C)(C)SCCO 62a_100000032637_100000211926 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.25 CCC(C)(C)SCCO 62a_100000211926_100000032637 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.25 OCCSC(F)(F)CO 62a_100000211926_100011217949 [0,1,1,0,0,0|1,1,0]=4 410 B8R0.25 OCCSC(F)(F)CO 62a_100011217949_100000211926 [0,1,1,0,0,0|1,1,0]=4 411 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,1,0,0,0|2,0,0]=4 413 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,1,0,0,0|2,0,0]=4 414 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,1,0,0,0|2,0,0]=4 415 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,1,1,0,0,0|2,0,0]=4 416 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,1,1,0,0,0|2,0,0]=4 417 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,1,1,0,0,0|2,0,0]=4 418 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,1,1,0,0,0|2,0,0]=4 419 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,1,0,0,0,0|1,1,0]=4 424 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,1,0,0,0,0|1,1,0]=4 425 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,1,0,0,0,0|1,1,0]=4 426 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,1,0,0,0,0|1,1,0]=4 430 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,1,0,0,0,0|1,1,0]=4 431 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,1,0,0,0,0|1,1,0]=4 435 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,1,0,0,0,0|1,1,0]=4 436 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,1,0,0,0,0|1,1,0]=4 439 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,1,0,0,0,0|1,1,0]=4 440 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,0,1,0|2,0,0]=4 441 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,0,1,0|2,0,0]=4 442 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,0,1,0|2,0,0]=4 443 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,0,1,0|2,0,0]=4 444 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.3 COC1CCC(CC1)OC 34a_100011581665_200000210301 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.3 COC1CCC(CC1)OC 7a_100011581665_200000210301 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.3 COC1CCC(CC1)O[13CH3] 34a_100011581665_200025704644 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.3 COC1CCC(CC1)O[13CH3] 7a_100011581665_200025704644 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,0,1,1,0,0|2,0,0]=4 450 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,0,1,1,0,0|2,0,0]=4 451 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,0,1,1,0,0|2,0,0]=4 452 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,0,1,1,0,0|2,0,0]=4 453 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [0,0,1,1,0,0|1,1,0]=4 454 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,0,1,1,0,0|2,0,0]=4 455 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,0,1,1,0,0|1,1,0]=4 456 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,0,1,1,0,0|2,0,0]=4 457 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,0,1,1,0,0|2,0,0]=4 458 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,0,1,1,0,0|2,0,0]=4 459 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,0,1,1,0,0|2,0,0]=4 460 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,0,1,1,0,0|2,0,0]=4 461 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,0,1,1,0,0|2,0,0]=4 462 B8R1.35 CC(C)SCC1CS1 62a_100000031435_100000210206 [0,0,1,1,0,0|2,0,0]=4 463 B8R1.35 CC(C)SCC1CS1 62a_100000210206_100000031435 [0,0,1,1,0,0|2,0,0]=4 464 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,0,1,1,0,0|2,0,0]=4 465 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,0,1,1,0,0|2,0,0]=4 466 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,0,1,1,0,0|2,0,0]=4 467 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,0,1,1,0,0|2,0,0]=4 468 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 469 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 470 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 471 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 472 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,0,2,0|2,0,0]=4 473 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,0,2,0|2,0,0]=4 474 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,1,0,0,1|2,0,0]=4 475 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,1,0,0,1|2,0,0]=4 476 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,1,0,0,1|2,0,0]=4 477 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,1,0,0,1|2,0,0]=4 478 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,1,0,0,1|2,0,0]=4 479 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,1,0,0,1|2,0,0]=4 480 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,0,1,0,0,1|2,0,0]=4 481 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,0,1,0,0,1|2,0,0]=4 482 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,0,1,0,0,1|2,0,0]=4 483 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,0,1,0,0,1|2,0,0]=4 484 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,0,1,0,0,1|1,0,0]=3 485 B8R0.28 CC(O)CSCC(F)F 62a_100011218427_100011934356 [0,0,1,0,0,1|2,0,0]=4 486 B8R0.28 CC(O)CSCC(F)F 62a_100011934356_100011218427 [0,0,1,0,0,1|2,0,0]=4 487 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,0,1,0,0,1|1,0,0]=3 488 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,0,1,0,0,1|1,0,0]=3 489 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100009817552_100011934356 [0,0,1,0,0,1|2,0,0]=4 490 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100011934356_100009817552 [0,0,1,0,0,1|2,0,0]=4 491 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,0,1,0,0,1|1,0,0]=3