0 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [1,0,0,0,0,0|3,0,0]=4 1 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,1,0,0,0,0|2,1,0]=4 10 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,1,0,0,0,0|2,1,0]=4 11 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,1,0,0,0,0|2,1,0]=4 24 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,1,0,0,0,0|2,1,0]=4 25 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,1,0,0,0,0|2,1,0]=4 27 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,1,0,0,0,0|2,1,0]=4 28 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,1,0,0,0,0|2,1,0]=4 29 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,1,0,0,0,0|2,1,0]=4 36 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,1,0,0,0,0|2,1,0]=4 37 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,1,0,0,0,0|2,1,0]=4 38 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,0,1,0,0,0|2,0,1]=4 57 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [0,0,1,0,0,0|2,0,1]=4 58 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,1,0,0,0|2,0,1]=4 60 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,1,0,0,0|2,0,1]=4 61 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,1,0,0,0|2,0,1]=4 62 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,1,0,0,0|2,1,0]=4 67 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,1,0,0,0|2,1,0]=4 68 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,0,1,0,0,0|3,0,0]=4 69 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,0,1,0,0,0|3,0,0]=4 70 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,0,1,0,0,0|3,0,0]=4 72 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,1,0,0,0|2,0,0]=3 73 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,1,0,0,0|2,0,0]=3 74 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,1,0,0,0|2,1,0]=4 75 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,0,1,0,0,0|3,0,0]=4 76 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,1,0,0,0|2,0,0]=3 78 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,1,0,0,0|2,0,0]=3 79 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,0,1,0,0,0|3,0,0]=4 82 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,0,1,0,0,0|3,0,0]=4 83 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,0,1,0,0,0|3,0,0]=4 90 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,0,1,0,0,0|2,0,1]=4 94 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,0,1,0,0,0|2,1,0]=4 97 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,0,1,0,0,0|2,1,0]=4 98 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,1,0,0,0|1,0,2]=4 99 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,1,0,0,0|1,0,2]=4 100 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,0,1,0,0,0|3,0,0]=4 101 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,0,1,0,0,0|2,0,0]=3 102 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,0,1,0,0,0|2,0,0]=3 103 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,0,1,0,0,0|2,1,0]=4 104 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,0,1,0,0,0|1,0,0]=2 107 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,0,1,0,0,0|1,0,0]=2 108 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,0,1,0,0,0|2,1,0]=4 113 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,0,1,0,0,0|2,1,0]=4 114 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,0,1,0,0,0|2,1,0]=4 115 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,0,1,0,0,0|3,0,0]=4 131 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,1,0,0,0|2,1,0]=4 134 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,0,1,0,0,0|1,1,0]=3 135 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,0,1,0,0,0|2,1,0]=4 136 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,0,1,0,0,0|2,1,0]=4 137 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,0,1,0,0,0|1,1,0]=3 138 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,1,0,0,0|2,0,0]=3 141 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,0,1,0,0,0|1,0,0]=2 143 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,0,1,0,0,0|2,0,0]=3 147 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,0,1,0,0,0|2,0,0]=3 148 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,0,1,0,0,0|2,0,0]=3 149 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,0,1,0,0,0|2,0,0]=3 150 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,0,1,0,0,0|1,0,0]=2 151 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,0,1,0,0,0|1,0,0]=2 152 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,0,1,0,0,0|3,0,0]=4 153 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,1,0,0,0|1,0,2]=4 155 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,0,1,0,0,0|3,0,0]=4 160 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,0,1,0,0,0|3,0,0]=4 161 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,0,1,0,0,0|2,0,0]=3 162 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,0,1,0,0,0|2,0,0]=3 163 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,0,1,0,0,0|2,0,0]=3 164 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,0,1,0,0,0|2,0,0]=3 165 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,0,1,0,0,0|3,0,0]=4 167 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [0,0,1,0,0,0|3,0,0]=4 168 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [0,0,1,0,0,0|3,0,0]=4 170 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,1,0,0,0|1,0,1]=4 172 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,1,0,0,0|1,0,1]=4 173 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,1,0,0,0|1,0,1]=4 174 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,1,0,0,0|2,0,0]=4 175 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,1,0,0,0|2,0,0]=4 176 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|1,1,0]=4 183 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|1,0,0]=3 187 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|1,0,0]=3 188 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,1,0,0,0|1,1,0]=4 190 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,1,0,0,0|2,0,0]=4 192 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,1,0,0,0|1,0,0]=3 193 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,1,0,0,0|1,0,0]=3 194 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,1,0,0,0|1,1,0]=4 200 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,1,0,0,0|1,0,0]=3 205 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,1,0,0,0|1,0,0]=3 206 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,1,0,0,0|1,0,1]=4 212 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,1,0,0,0|1,0,1]=4 213 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,1,0,0,0|1,1,0]=4 214 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|0,0,2]=4 215 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|0,0,2]=4 216 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,1,0,0,0|2,0,0]=4 217 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,1,0,0,0|1,0,0]=3 222 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,1,0,0,0|1,0,0]=3 223 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,1,0,0,0|1,1,0]=4 224 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,1,0,0,0|1,0,0]=3 225 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,1,0,0,0|1,0,0]=3 226 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,1,0,0,0|0,0,0]=2 227 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,1,0,0,0|2,0,0]=4 230 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,1,0,0,0|2,0,0]=4 231 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,1,0,0,0|1,0,0]=3 232 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,1,0,0,0|1,0,0]=3 233 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,1,0,0,0|1,0,1]=4 234 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,1,0,0,0|1,0,1]=4 235 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,1,0,0,0|1,0,1]=4 236 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,1,0,0,0|1,0,1]=4 237 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,1,0,0,0|2,0,0]=4 238 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,1,0,0,0|2,0,0]=4 239 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,1,0,0,0|2,0,0]=4 241 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,1,0,0,0|2,0,0]=4 242 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,1,0,0,0|2,0,0]=4 243 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 244 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,1,0,0,0|2,0,0]=4 245 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,1,0,0,0|2,0,0]=4 247 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,1,0,0,0|1,1,0]=4 248 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,1,0,0,0|1,0,0]=3 249 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,1,0,0,0|1,0,0]=3 250 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,1,0,0,0|1,0,0]=3 251 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,1,0,0,0|1,0,0]=3 252 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|2,0,0]=4 253 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,1,0,0,0|2,0,0]=4 256 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,1,0,0,0|2,0,0]=4 257 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,1,0,0,0|1,0,0]=3 261 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,1,0,0,0|1,0,0]=3 262 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,1,0,0,0|1,0,0]=3 263 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,1,0,0,0|2,0,0]=4 264 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,1,0,0,0|2,0,0]=4 265 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,1,0,0,0|2,0,0]=4 266 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,1,0,0,0|2,0,0]=4 267 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,0,1,0,0,0|2,0,0]=4 268 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,0,1,0,0,0|2,0,0]=4 269 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,1,0,0,0|1,0,0]=3 271 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,1,0,0,0|1,0,0]=3 272 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,1,0,0,0|1,0,0]=3 273 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,1,0,0,0|1,0,0]=3 274 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,1,0,0,0|0,1,0]=3 275 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,1,0,0,0|1,1,0]=4 276 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,0,1,0,0,0|1,1,0]=4 277 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,1,0,0,0|0,1,0]=3 278 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,1,0,0,0|0,0,0]=2 279 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,1,0,0,0|0,0,0]=2 280 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,1,0,0,0|1,0,0]=3 281 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,1,0,0,0|1,0,0]=3 282 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,1,0,0,0|1,0,0]=3 283 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,1,0,0,0|1,0,0]=3 284 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,1,0,0,0|0,0,0]=2 285 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,1,0,0,0|0,0,0]=2 286 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,1,0,0,0|1,0,0]=3 287 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,1,0,0,0|1,0,0]=3 288 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,1,0,0,0|2,0,0]=4 289 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,1,0,0,0|1,0,0]=3 290 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,1,0,0,0|0,0,0]=2 291 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,1,0,0,0|0,0,0]=2 292 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,1,0,0,0|1,0,0]=3 293 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,1,0,0,0|1,0,0]=3 294 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,1,0,0,0|0,0,0]=2 295 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,1,0,0,0|0,0,0]=2 296 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,1,0,0,0|2,0,0]=4 299 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,1,0,0,0|1,0,0]=3 300 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,1,0,0,0|1,0,0]=3 301 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,0,1,0,0,0|2,0,0]=4 303 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|1,1,0]=4 308 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|1,1,0]=4 309 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,1,0,0,0|1,0,0]=3 312 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,1,0,0,0|1,0,0]=3 313 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,1,0,0,0|1,0,0]=3 314 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,1,0,0,0|1,0,0]=3 315 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 316 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,1,0,0,0|2,0,0]=4 317 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,1,0,0,0|1,1,0]=4 320 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,1,0,0,0|2,0,0]=4 321 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,1,0,0,0|2,0,0]=4 322 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,1,0,0,0|1,0,0]=3 323 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,1,0,0,0|1,0,0]=3 324 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,0,1,0,0,0|2,0,0]=4 325 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,0,1,0,0,0|2,0,0]=4 326 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,1,1,0,0,0|2,0,0]=4 327 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,1,1,0,0,0|2,0,0]=4 328 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,1,1,0,0,0|2,0,0]=4 329 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,1,1,0,0,0|2,0,0]=4 330 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,1,0,0,0|1,0,0]=3 331 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,1,0,0,0|1,0,0]=3 332 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,1,0,0,0|2,0,0]=4 334 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,1,0,0,0|2,0,0]=4 335 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,1,1,0,0,0|2,0,0]=4 337 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,1,1,0,0,0|2,0,0]=4 340 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,1,1,0,0,0|2,0,0]=4 341 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,1,1,0,0,0|2,0,0]=4 343 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,1,1,0,0,0|2,0,0]=4 344 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,1,0,0,0|2,0,0]=4 345 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,1,0,0,0|2,0,0]=4 346 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,1,1,0,0,0|2,0,0]=4 348 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,1,1,0,0,0|2,0,0]=4 349 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [0,1,1,0,0,0|2,0,0]=4 351 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,1,0,0,0|2,0,0]=4 355 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,1,1,0,0,0|2,0,0]=4 360 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,1,1,0,0,0|2,0,0]=4 361 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,1,1,0,0,0|2,0,0]=4 362 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,1,1,0,0,0|2,0,0]=4 363 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,1,1,0,0,0|2,0,0]=4 365 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,1,1,0,0,0|2,0,0]=4 368 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,1,1,0,0,0|2,0,0]=4 369 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,1,1,0,0,0|2,0,0]=4 370 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,1,1,0,0,0|2,0,0]=4 371 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,1,1,0,0,0|2,0,0]=4 372 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,1,1,0,0,0|2,0,0]=4 373 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,1,1,0,0,0|2,0,0]=4 374 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,1,1,0,0,0|2,0,0]=4 376 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,1,1,0,0,0|2,0,0]=4 377 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,1,1,0,0,0|1,1,0]=4 382 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,1,1,0,0,0|2,0,0]=4 383 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,1,1,0,0,0|2,0,0]=4 384 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,1,1,0,0,0|1,0,0]=3 385 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,1,1,0,0,0|1,0,0]=3 386 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,1,1,0,0,0|2,0,0]=4 387 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,1,1,0,0,0|1,1,0]=4 388 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [0,1,1,0,0,0|2,0,0]=4 389 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,1,1,0,0,0|1,0,0]=3 391 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,1,1,0,0,0|1,0,0]=3 392 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,1,1,0,0,0|1,1,0]=4 393 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,1,1,0,0,0|1,1,0]=4 394 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,1,1,0,0,0|2,0,0]=4 395 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,1,1,0,0,0|2,0,0]=4 396 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [0,1,1,0,0,0|2,0,0]=4 397 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [0,1,1,0,0,0|2,0,0]=4 398 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [0,1,1,0,0,0|1,1,0]=4 399 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,1,1,0,0,0|1,0,1]=4 400 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,1,1,0,0,0|1,0,1]=4 401 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,1,1,0,0,0|1,0,1]=4 402 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,1,1,0,0,0|1,0,1]=4 403 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,1,1,0,0,0|2,0,0]=4 405 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,1,1,0,0,0|2,0,0]=4 407 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,1,1,0,0,0|1,0,0]=3 410 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,1,1,0,0,0|1,0,0]=3 411 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,1,1,0,0,0|2,0,0]=4 413 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,1,1,0,0,0|1,0,0]=3 414 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,1,1,0,0,0|2,0,0]=4 415 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,1,1,0,0,0|2,0,0]=4 416 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,1,1,0,0,0|2,0,0]=4 417 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,1,1,0,0,0|2,0,0]=4 418 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,1,0,0,0|1,0,0]=3 419 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,1,0,0,0|2,0,0]=4 421 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,1,0,0,0|2,0,0]=4 422 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,1,0,0,0|2,0,0]=4 423 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,1,0,0,0|2,0,0]=4 424 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,1,0,0,0|2,0,0]=4 425 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,1,0,0,0|2,0,0]=4 426 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,1,0,0,0|2,0,0]=4 427 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,1,0,0,0|2,0,0]=4 428 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,1,0,0,0|2,0,0]=4 429 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,1,0,0,0|2,0,0]=4 430 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,1,0,0,0|2,0,0]=4 431 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,1,0,0,0|2,0,0]=4 433 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,1,0,0,0|2,0,0]=4 434 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,1,0,0,0|2,0,0]=4 435 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,1,0,0,0|2,0,0]=4 436 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,1,1,0,0,0|2,0,0]=4 437 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,1,1,0,0,0|2,0,0]=4 438 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,1,1,0,0,0|2,0,0]=4 439 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,1,1,0,0,0|2,0,0]=4 440 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,1,0,0,0|1,0,0]=3 441 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,1,1,0,0,0|2,0,0]=4 443 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,1,1,0,0,0|2,0,0]=4 444 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,1,1,0,0,0|2,0,0]=4 445 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,1,0,0,0|1,0,0]=3 447 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,1,0,0,0|2,0,0]=4 448 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,1,0,0,0|2,0,0]=4 449 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,1,0,0,0|2,0,0]=4 450 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,1,0,0,0|2,0,0]=4 453 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,1,0,0,0|2,0,0]=4 454 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,1,0,0,0|2,0,0]=4 455 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,1,0,0,0|1,0,0]=3 456 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,1,0,0,0|1,0,0]=3 457 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,1,0,0,0|2,0,0]=4 458 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,1,0,0,0|2,0,0]=4 459 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,1,0,0,0|1,0,0]=3 460 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,1,0,0,0|1,0,0]=3 461 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,1,0,0,0|2,0,0]=4 462 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,1,0,0,0|2,0,0]=4 463 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,1,0,0,0|2,0,0]=4 464 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,1,0,0,0|2,0,0]=4 465 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,1,0,0,0|2,0,0]=4 466 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,1,0,0,0|2,0,0]=4 467 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,1,0,0,0|2,0,0]=4 468 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,1,0,0,0|2,0,0]=4 469 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,1,0,0,0|2,0,0]=4 470 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,1,0,0,0|1,0,0]=3 473 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,1,0,0,0|1,0,0]=3 474 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,1,0,0,0|1,0,0]=3 479 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,1,0,0,0|1,0,0]=3 480 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,1,0,0,0|2,0,0]=4 482 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,1,0,0,0|2,0,0]=4 483 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,1,0,0,0|2,0,0]=4 485 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,1,0,0,0|2,0,0]=4 486 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,1,0,0,0|2,0,0]=4 487 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,1,0,0,0|1,0,0]=3 489 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,1,0,0,0|1,0,0]=3 490 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,1,0,0,0|2,0,0]=4 494 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,1,0,0,0|2,0,0]=4 495 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,1,0,0,0|2,0,0]=4 499 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,1,0,0,0|1,1,0]=4 500 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,1,0,0,0|1,1,0]=4 501 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,1,0,0,0|1,0,0]=3 502 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,1,0,0,0|1,0,0]=3 503 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,1,0,0,0|2,0,0]=4 504 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,1,0,0,0|2,0,0]=4 505 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,1,1,0,0,0|2,0,0]=4 506 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,1,1,0,0,0|2,0,0]=4 507 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,1,0,0,0|1,0,0]=3 508 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,1,0,0,0|1,0,0]=3 509 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,1,1,0,0,0|2,0,0]=4 513 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,1,1,0,0,0|2,0,0]=4 514 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,1,0,0,0|2,0,0]=4 515 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,1,0,0,0|2,0,0]=4 516 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,1,0,0,0|2,0,0]=4 517 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,1,1,0,0,0|2,0,0]=4 519 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,1,1,0,0,0|2,0,0]=4 520 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,1,0,0,0,0|2,0,0]=4 522 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,1,0,0,0,0|2,0,0]=4 523 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,1,0,0,0,0|2,0,0]=4 526 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,1,0,0,0,0|2,0,0]=4 528 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,1,0,0,0,0|2,0,0]=4 529 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,1,0,0,0,0|2,0,0]=4 530 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,1,0,0,0,0|1,1,0]=4 531 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,1,0,0,0,0|1,1,0]=4 532 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,1,0,0,0,0|1,0,0]=3 533 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,1,0,0,0,0|1,1,0]=4 534 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,1,0,0,0,0|1,0,0]=3 535 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,1,0,0,0,0|1,0,0]=3 536 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,1,0,0,0,0|1,1,0]=4 538 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,1,0,0,0,0|2,0,0]=4 539 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,1,0,0,0,0|2,0,0]=4 540 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,1,0,0,0,0|2,0,0]=4 542 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,1,0,0,0,0|2,0,0]=4 543 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,1,0,0,0,0|1,1,0]=4 544 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,1,0,0,0,0|1,0,0]=3 545 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,1,0,0,0,0|1,1,0]=4 546 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,1,0,0,0,0|1,0,0]=3 547 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,1,0,0,0,0|1,0,0]=3 548 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,1,0,0,0,0|1,1,0]=4 549 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [1,1,0,0,0,0|2,0,0]=4 550 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [1,1,0,0,0,0|2,0,0]=4 552 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [1,1,0,0,0,0|2,0,0]=4 553 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,1,0,0,0,0|2,0,0]=4 554 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,1,0,0,0,0|2,0,0]=4 555 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,1,0,0,0,0|2,0,0]=4 556 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,1,0,0,0,0|2,0,0]=4 557 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,0,1,0|2,0,0]=4 558 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,0,1,0|2,0,0]=4 559 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,1,0,0,1,0|1,1,0]=4 560 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,1,0,0,1,0|1,1,0]=4 561 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,1,0,0,1,0|1,1,0]=4 562 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,0,1,0|2,0,0]=4 563 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,0,1,0|2,0,0]=4 564 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,1,0,0,1,0|0,1,0]=3 565 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,0,1,0|2,0,0]=4 566 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,0,1,0|2,0,0]=4 567 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 568 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,1,0,0,1,0|1,1,0]=4 569 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,1,0,0,1,0|0,2,0]=4 570 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,1,0,0,1,0|0,2,0]=4 571 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,0,1,0|1,1,0]=4 572 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,0,1,0|1,1,0]=4 573 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 574 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,1,0,0,1,0|1,1,0]=4 575 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,0,1,0|2,0,0]=4 576 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,0,1,0|2,0,0]=4 577 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,1,0,0,1,0|1,1,0]=4 578 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,1,0,0,1,0|0,2,0]=4 579 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,1,0,0,1,0|0,2,0]=4 580 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,0,1,0|1,1,0]=4 581 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,0,1,0|1,1,0]=4 582 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200000210301 [0,1,0,0,1,0|2,0,0]=4 583 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200000210301 [0,1,0,0,1,0|2,0,0]=4 584 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [0,1,0,0,1,0|1,0,0]=3 585 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [0,1,0,0,1,0|1,0,0]=3 586 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 587 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 588 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 589 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 590 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200025704644 [0,1,0,0,1,0|2,0,0]=4 591 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200025704644 [0,1,0,0,1,0|2,0,0]=4 592 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [0,1,0,0,1,0|1,0,0]=3 593 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 2230a_200015396376_200000210301 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 269982a_200015396376_200000210301 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 2230a_200015396376_200025704644 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 269982a_200015396376_200025704644 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210202 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000204670 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.176 O[C@@H]1CCN(C[C@@H]1O)CF 269982a_100000690696_100015361967 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [0,0,1,1,0,0|2,0,0]=4 607 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [0,0,1,1,0,0|2,0,0]=4 608 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [0,0,1,1,0,0|2,0,0]=4 609 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [0,0,1,1,0,0|2,0,0]=4 610 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [0,0,1,1,0,0|2,0,0]=4 611 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [0,0,1,1,0,0|2,0,0]=4 612 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [0,0,1,1,0,0|2,0,0]=4 613 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [0,0,1,1,0,0|2,0,0]=4 614 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [0,0,1,1,0,0|2,0,0]=4 615 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [0,0,1,1,0,0|2,0,0]=4 616 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,0,1,1,0,0|2,0,0]=4 617 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,0,1,1,0,0|2,0,0]=4 618 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [0,0,1,1,0,0|1,1,0]=4 619 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [0,0,1,1,0,0|2,0,0]=4 620 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [0,0,1,1,0,0|2,0,0]=4 621 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,0,1,1,0,0|1,0,0]=3 622 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,0,1,1,0,0|1,0,0]=3 623 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [0,0,1,1,0,0|1,1,0]=4 624 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [0,0,1,1,0,0|1,1,0]=4 625 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,0,1,1,0,0|1,0,0]=3 626 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,0,1,1,0,0|1,0,0]=3 627 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,0,1,1,0,0|2,0,0]=4 628 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,0,1,1,0,0|2,0,0]=4 629 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,0,1,1,0,0|2,0,0]=4 630 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,0,1,1,0,0|2,0,0]=4 631 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,0,1,1,0,0|2,0,0]=4 632 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,0,1,1,0,0|2,0,0]=4 633 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 634 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 635 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 636 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4