0 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.7 C#CCCCCN(C)C 2230a_100102631434_100010269958 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 C#CCCCCN(C)C 269982a_100102631434_100010269958 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.7 C#CCCOCC(C)Br 34a_100012180447_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.7 C#CCCOCC(C)F 34a_100015925927_100000688953 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.7 C#CCCOC[C@@H](C)Cl 34a_100016084084_100000688953 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.7 C#CCCOC[C@@H](C)N 34a_100000737577_100000688953 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [0,0,0,0,0,0|1,0,2]=3 34 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.7 C#CCNCCC(C)O 2230a_200000755665_100000038162 [0,0,0,0,0,0|1,0,2]=3 36 B8R0.7 C#CCNCCC(C)O 34a_100000212058_100012276601 [0,0,0,0,0,0|1,0,2]=3 37 B8R0.7 C#CCOCCC(C)Br 34a_100009893172_100000184674 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [0,0,0,0,0,0|1,0,2]=3 42 B8R0.7 C#CCOCC[C@@H](C)N 34a_100000706166_100000184674 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [0,0,0,0,0,0|1,0,2]=3 45 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [0,0,0,0,0,0|1,0,2]=3 48 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [0,0,0,0,0,0|2,0,2]=4 52 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [0,0,0,0,0,0|1,0,2]=3 53 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [0,0,0,0,0,0|1,0,2]=3 56 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,0,0,0,0,0|1,0,2]=3 59 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,0,0,0,0,0|1,0,2]=3 60 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,0,0,0,0,0|1,0,2]=3 61 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,0,0,0,0,0|1,0,2]=3 62 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,0,0,0,0|2,0,1]=3 68 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,0,0,0,0|2,0,1]=3 69 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,0,0,0,0|2,0,1]=3 74 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,0,0,0,0|2,0,1]=3 75 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,0,0,0,0|2,0,1]=3 85 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,0,0,0,0|2,0,1]=3 91 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,0,0,0,0|2,0,1]=3 92 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,0,0,0,0,0|3,0,1]=4 102 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,0,0,0,0|2,0,1]=3 105 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,0,0,0,0,0|3,0,1]=4 111 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|0,0,4]=4 123 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|0,0,4]=4 124 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|0,0,4]=4 125 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,0,0,0,0,0|2,0,2]=4 127 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,0,0,0,0,0|2,0,2]=4 128 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,0,0,0,0,0|2,0,2]=4 129 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,0,0,0,0,0|2,0,2]=4 130 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,0,0,0,0,0|2,0,2]=4 136 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,0,0,0,0,0|2,0,2]=4 141 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,0,0,0,0,0|2,0,2]=4 142 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,0,0,0,0,0|2,0,2]=4 143 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,0,0,0,0,0|1,0,2]=3 145 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,0,0,0,0,0|1,0,2]=3 146 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,0,0,0,0,0|1,0,2]=3 147 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,0,0,0,0,0|1,0,2]=3 148 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,0,0,0,0,0|1,0,2]=3 153 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,0,0,0,0,0|1,0,2]=3 156 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,0,0,0,0,0|1,0,2]=3 159 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,0,0,0,0,0|1,0,2]=3 160 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,0,0,0,0,0|1,0,2]=3 161 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,0,0,0,0,0|1,0,2]=3 162 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,0,0,0,0,0|2,0,2]=4 163 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,0,0,0,0,0|1,0,2]=3 164 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,0,0,0,0,0|1,0,2]=3 165 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,0,0,0,0,0|2,0,2]=4 167 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,0,0,0,0,0|2,0,2]=4 168 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,0,0,0,0,0|2,0,2]=4 169 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,0,0,0,0,0|1,0,2]=3 170 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,0,0,0,0,0|2,0,2]=4 171 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,0,0,0,0,0|1,0,2]=3 174 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,0,0,0,0,0|1,0,2]=3 175 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.7 CC#CCNCC(C)C 2230a_100000210953_100000748600 [0,0,0,0,0,0|2,0,2]=4 177 B8R0.7 CC#CCNCC(C)C 2230a_100000685387_100000210760 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.7 CC#CCNCC(C)C 34a_100000210953_100000748600 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.7 CC#CCNCC(C)C 34a_100000685387_100000210624 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.7 CC#CCNCC(C)O 2230a_100000210904_100000748600 [0,0,0,0,0,0|1,0,2]=3 181 B8R0.7 CC#CCNCC(C)O 2230a_100000685387_100011218427 [0,0,0,0,0,0|1,0,2]=3 182 B8R0.7 CC#CCNCC(C)O 34a_100000210904_100000748600 [0,0,0,0,0,0|1,0,2]=3 183 B8R0.7 CC#CCNCC(C)O 34a_100000685387_100011218427 [0,0,0,0,0,0|1,0,2]=3 184 B8R0.7 CC#CCNC[C@@H](C)O 2230a_100000685387_100009817552 [0,0,0,0,0,0|1,0,2]=3 185 B8R0.7 CC#CCNC[C@@H](C)O 34a_100000685387_100009817552 [0,0,0,0,0,0|1,0,2]=3 186 B8R0.7 CC#CCOCC(C)Br 34a_100012180447_100000748600 [0,0,0,0,0,0|2,0,2]=4 187 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.7 CC#CCOCC(C)F 34a_100015925927_100000748600 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [0,0,0,0,0,0|1,0,2]=3 191 B8R0.7 CC#CCOC[C@@H](C)Cl 34a_100016084084_100000748600 [0,0,0,0,0,0|2,0,2]=4 192 B8R0.7 CC#CCOC[C@@H](C)N 34a_100000737577_100000748600 [0,0,0,0,0,0|2,0,2]=4 193 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [0,0,0,0,0,0|1,0,2]=3 194 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [0,0,0,0,0,0|2,0,2]=4 195 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [0,0,0,0,0,0|2,0,2]=4 196 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [0,0,0,0,0,0|1,0,2]=3 197 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [0,0,0,0,0,0|1,0,2]=3 198 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [0,0,0,0,0,0|1,0,2]=3 199 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [0,0,0,0,0,0|1,0,2]=3 200 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,0,0,0,0|1,0,3]=4 201 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|1,0,2]=3 202 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|1,0,2]=3 203 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|1,0,2]=3 204 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|1,0,2]=3 205 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|1,0,2]=3 206 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|2,0,2]=4 207 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|2,0,2]=4 208 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|2,0,2]=4 209 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|2,0,2]=4 210 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|2,0,2]=4 211 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|2,0,2]=4 212 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|2,0,2]=4 213 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|2,0,2]=4 214 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|2,0,2]=4 215 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|2,0,2]=4 216 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|2,0,2]=4 217 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|2,0,2]=4 218 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|2,0,2]=4 219 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|2,0,2]=4 221 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|2,0,2]=4 222 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|2,0,2]=4 223 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|2,0,2]=4 224 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|2,0,2]=4 225 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|2,0,2]=4 226 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|2,0,2]=4 227 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|2,0,2]=4 228 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|2,0,2]=4 229 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|2,0,2]=4 230 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,0,0,0,0,0|2,1,1]=4 231 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,0,0,0,0,0|2,1,1]=4 232 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,0,0,0,0,0|3,0,0]=3 234 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,0,0,0,0,0|3,0,0]=3 235 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [0,0,0,0,0,0|3,0,0]=3 236 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,0,0,0,0,0|2,0,0]=2 238 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,0,0,0,0,0|2,0,0]=2 239 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,0,0,0,0,0|2,0,0]=2 240 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,0,0,0,0,0|2,0,0]=2 241 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,0,0,0,0,0|3,0,0]=3 242 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,0,0,0,0,0|3,0,0]=3 244 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,0,0,0,0,0|3,0,0]=3 245 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,0,0,0,0,0|3,0,0]=3 246 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,0,0,0,0,0|3,0,0]=3 247 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,0,0,0,0,0|3,0,0]=3 248 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,0,0,0,0,0|3,0,0]=3 249 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,0,0,0,0,0|3,0,0]=3 250 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,0,0,0,0,0|3,0,0]=3 251 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,0,0,0,0,0|3,0,0]=3 256 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,0,0,0,0,0|3,0,0]=3 257 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,0,0,0,0,0|3,0,0]=3 258 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,0,0,0,0,0|3,0,0]=3 260 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,0,0,0,0,0|3,0,1]=4 261 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,0,0,0,0,0|3,0,1]=4 262 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,0,0,0,0,0|3,0,1]=4 263 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,0,0,0,0,0|3,0,1]=4 264 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,0,0,0,0,0|3,0,0]=3 265 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,0,0,0,0,0|3,0,0]=3 266 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,0,0,0,0,0|3,0,0]=3 267 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,0,0,0,0,0|3,0,1]=4 269 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,0,0,0,0,0|3,0,1]=4 270 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,0,0,0,0,0|3,0,0]=3 271 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,0,0,0,0,0|3,0,0]=3 272 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,0,0,0,0,0|3,0,0]=3 275 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,0,0,0,0,0|3,0,0]=3 276 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,0,0,0,0,0|3,0,0]=3 277 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,0,0,0,0,0|3,0,0]=3 278 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,0,0,0,0,0|3,0,0]=3 279 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,0,0,0,0,0|3,0,0]=3 280 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,0,0,0,0,0|3,0,0]=3 281 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,0,0,0,0,0|3,0,0]=3 282 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,0,0,0,0,0|3,0,0]=3 283 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,0,0,0,0,0|3,0,0]=3 284 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,0,0,0,0,0|3,0,0]=3 285 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,0,0,0,0,0|4,0,0]=4 286 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,0,0,0,0,0|3,0,0]=3 287 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,0,0,0,0,0|3,0,0]=3 288 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,0,0,0,0,0|3,0,1]=4 289 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,0,0,0,0,0|3,0,1]=4 290 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,0,0,0,0,0|3,0,0]=3 291 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,0,0,0,0,0|3,0,0]=3 292 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,0,0,0,0,0|3,0,0]=3 293 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,0,0,0,0,0|3,0,0]=3 294 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,0,0,0,0,0|3,0,0]=3 295 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,0,0,0,0,0|3,0,0]=3 296 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [0,0,0,0,0,0|3,0,1]=4 297 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,0,0,0,0,0|3,0,1]=4 298 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,0,0,0,0,0|3,0,0]=3 299 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,0,0,0,0,0|3,0,0]=3 300 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,0,0,0,0,0|3,0,0]=3 301 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,0,0,0,0,0|3,0,0]=3 302 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,0,0,0,0,0|3,0,0]=3 303 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,0,0,0,0,0|3,0,0]=3 304 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,0,0,0,0,0|3,0,0]=3 305 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [0,0,0,0,0,0|4,0,0]=4 306 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,0,0,0,0,0|3,0,0]=3 307 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,0,0,0,0,0|3,0,0]=3 308 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,0,0,0,0,0|3,0,0]=3 309 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,0,0,0,0,0|3,0,0]=3 310 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,0,0,0,0,0|3,0,0]=3 311 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,0,0,0,0,0|3,0,0]=3 312 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,0,0,0,0,0|3,0,0]=3 313 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,0,0,0,0,0|3,0,0]=3 314 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,0,0,0,0,0|3,0,0]=3 315 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,0,0,0,0,0|3,0,0]=3 316 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,0,0,0,0,0|3,0,0]=3 317 B8R0.7 CC(C)OCCNCF 34a_100000701111_100015361967 [0,0,0,0,0,0|4,0,0]=4 318 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [0,0,0,0,0,0|4,0,0]=4 319 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [0,0,0,0,0,0|4,0,0]=4 320 B8R0.7 CC(C)OCCSCF 62a_100000211751_100015361967 [0,0,0,0,0,0|4,0,0]=4 321 B8R0.7 CC(C)OCCSCF 62a_100015361967_100000211751 [0,0,0,0,0,0|4,0,0]=4 322 B8R0.7 CC(C)OCNCCF 34a_100000724931_100000709892 [0,0,0,0,0,0|4,0,0]=4 323 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [0,0,0,0,0,0|4,0,0]=4 324 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [0,0,0,0,0,0|4,0,0]=4 325 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [0,0,0,0,0,0|4,0,0]=4 326 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [0,0,0,0,0,0|4,0,0]=4 327 B8R0.7 CC(C)OCSCCF 62a_100000709892_100011217306 [0,0,0,0,0,0|4,0,0]=4 328 B8R0.7 CC(C)OCSCCF 62a_100011217306_100000709892 [0,0,0,0,0,0|4,0,0]=4 329 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [0,0,0,0,0,0|4,0,0]=4 330 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [0,0,0,0,0,0|4,0,0]=4 331 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,0,0,0,0,0|3,0,1]=4 332 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,0,0,0,0,0|3,0,1]=4 333 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,0,0,0,0,0|3,0,1]=4 334 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,0,0,0,0,0|3,0,1]=4 335 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,0,0,0,0,0|3,0,0]=3 336 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,0,0,0,0,0|3,0,0]=3 337 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,0,0,0,0,0|3,0,0]=3 338 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,0,0,0,0,0|3,0,0]=3 339 B8R0.7 CC(C)SCCNCF 34a_100000731138_100015361967 [0,0,0,0,0,0|4,0,0]=4 340 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [0,0,0,0,0,0|4,0,0]=4 341 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [0,0,0,0,0,0|4,0,0]=4 342 B8R0.7 CC(C)SCCSCF 62a_100000730970_100015361967 [0,0,0,0,0,0|4,0,0]=4 343 B8R0.7 CC(C)SCCSCF 62a_100015361967_100000730970 [0,0,0,0,0,0|4,0,0]=4 344 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [0,0,0,0,0,0|3,0,0]=3 345 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,0,0,0,0,0|3,0,0]=3 346 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,0,0,0,0,0|2,0,0]=2 347 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,0,0,0,0,0|2,0,0]=2 348 B8R0.7 CC(O)CCNCC#N 2230a_200000755665_100011215382 [0,0,0,0,0,0|2,0,1]=3 349 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,0,0,0,0,0|2,0,1]=3 350 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,0,0,0,0,0|2,0,0]=2 351 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,0,0,0,0,0|2,0,0]=2 352 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,0,0,0,0,0|2,0,0]=2 353 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,0,0,0,0,0|2,0,0]=2 354 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,0,0,0,0,0|2,0,0]=2 355 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,0,0,0,0,0|2,0,0]=2 356 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,0,0,0,0,0|2,0,0]=2 357 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [0,0,0,0,0,0|2,0,1]=3 358 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [0,0,0,0,0,0|2,0,1]=3 359 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,0,0,0,0,0|2,0,1]=3 360 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,0,0,0,0,0|2,0,1]=3 361 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,0,0,0,0,0|2,0,0]=2 362 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,0,0,0,0,0|2,0,0]=2 363 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,0,0,0,0,0|2,0,0]=2 364 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,0,0,0,0,0|2,0,0]=2 365 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [0,0,0,0,0,0|2,0,1]=3 366 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,0,0,0,0,0|2,0,0]=2 367 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,0,0,0,0,0|2,0,0]=2 368 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,0,0,0,0,0|2,0,0]=2 369 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,0,0,0,0,0|2,0,0]=2 370 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,0,0,0,0,0|2,0,0]=2 371 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,0,0,0,0,0|2,0,0]=2 372 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,0,0,0,0,0|2,0,0]=2 373 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,0,0,0,0,0|2,0,0]=2 374 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,0,0,0,0,0|2,0,0]=2 375 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,0,0,0,0,0|2,0,0]=2 376 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [0,0,0,0,0,0|3,0,0]=3 377 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [0,0,0,0,0,0|2,0,1]=3 378 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [0,0,0,0,0,0|2,0,1]=3 379 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,0,0,0,0,0|2,0,0]=2 380 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,0,0,0,0,0|2,0,0]=2 381 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,0,0,0,0,0|2,0,0]=2 382 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,0,0,0,0,0|2,0,0]=2 383 B8R0.7 CC(O)CSCSC#N 62a_100000211825_100011218427 [0,0,0,0,0,0|3,0,1]=4 384 B8R0.7 CC(O)CSCSC#N 62a_100011218427_100000211825 [0,0,0,0,0,0|3,0,1]=4 385 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,0,0,0,0|0,0,4]=4 386 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [0,0,0,0,0,0|2,0,2]=4 387 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [0,0,0,0,0,0|2,0,2]=4 388 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [0,0,0,0,0,0|2,0,2]=4 389 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [0,0,0,0,0,0|2,0,2]=4 390 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [0,0,0,0,0,0|2,0,2]=4 391 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [0,0,0,0,0,0|2,0,2]=4 392 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [0,0,0,0,0,0|2,0,2]=4 393 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [0,0,0,0,0,0|2,0,2]=4 394 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [0,0,0,0,0,0|2,0,2]=4 395 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [0,0,0,0,0,0|2,0,2]=4 396 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [0,0,0,0,0,0|1,0,2]=3 397 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [0,0,0,0,0,0|1,0,2]=3 398 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [0,0,0,0,0,0|2,0,2]=4 399 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [0,0,0,0,0,0|2,0,2]=4 400 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [0,0,0,0,0,0|2,0,2]=4 401 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [0,0,0,0,0,0|2,0,2]=4 402 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [0,0,0,0,0,0|2,0,2]=4 403 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,0,0,0,0,0|2,0,2]=4 404 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,0,0,0,0,0|2,0,2]=4 405 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,0,0,0,0,0|1,0,2]=3 406 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,0,0,0,0,0|1,0,2]=3 407 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,0,0,0,0,0|1,0,2]=3 408 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,0,0,0,0,0|1,0,2]=3 409 B8R0.7 CCC#CCNC(C)C 2230a_100138425928_100009813939 [0,0,0,0,0,0|2,0,2]=4 410 B8R0.7 CCC#CCNC(C)C 34a_100138425928_100009813939 [0,0,0,0,0,0|2,0,2]=4 411 B8R0.7 CCC#CCOC(C)C 34a_100000032950_100000210206 [0,0,0,0,0,0|2,0,2]=4 412 B8R0.7 CCC#CCOC(C)C 34a_100000212225_100009813939 [0,0,0,0,0,0|2,0,2]=4 413 B8R0.7 CCC#CCSC(C)C 62a_100000210206_100009813939 [0,0,0,0,0,0|2,0,2]=4 414 B8R0.7 CCC#CCSC(C)C 62a_100009813939_100000210206 [0,0,0,0,0,0|2,0,2]=4 415 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,0,0,0,0|0,0,4]=4 416 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,0,0,0,0|0,0,4]=4 417 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [0,0,0,0,0,0|2,0,1]=3 418 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [0,0,0,0,0,0|3,0,1]=4 419 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|0,0,4]=4 420 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|0,0,4]=4 421 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|0,0,2]=2 422 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|0,0,2]=2 423 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|0,0,2]=2 424 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,0,0,0,0|2,0,0]=2 425 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,0,0,0,0|2,0,0]=2 426 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,0,0,0,0|2,0,0]=2 427 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,0,0,0,0|2,0,0]=2 428 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,0,0,0,0|2,0,0]=2 429 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,0,0,0,0|2,0,0]=2 430 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|1,0,2]=3 431 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|1,0,2]=3 432 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|1,0,2]=3 433 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|1,0,2]=3 434 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,0,0,0,0,0|2,0,0]=2 435 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,0,0,0,0,0|2,0,0]=2 436 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,0,0,0,0,0|2,0,0]=2 437 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,0,0,0,0,0|2,0,0]=2 438 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,0,0,0,0,0|2,0,0]=2 439 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,0,0,0,0,0|2,0,0]=2 440 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,0,0,0,0,0|2,0,0]=2 441 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,0,0,0,0,0|2,0,0]=2 442 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,0,0,0,0|2,0,2]=4 443 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,0,0,0,0|2,0,2]=4 444 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,0,0,0,0|2,0,2]=4 445 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,0,0,0,0|2,0,1]=3 446 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,0,0,0,0,0|2,0,0]=2 447 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,0,0,0,0,0|2,0,0]=2 448 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,0,0,0,0,0|2,0,0]=2 449 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,0,0,0,0,0|2,0,0]=2 450 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,0,0,0,0,0|2,0,0]=2 451 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,0,0,0,0|1,0,0]=1 452 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,0,0,0,0|1,0,0]=1 453 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,0,0,0,0|1,0,0]=1 454 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,0,0,0,0|1,0,0]=1 455 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,0,0,0,0,0|3,0,0]=3 456 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,0,0,0,0,0|3,0,0]=3 457 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,0,0,0,0,0|3,0,0]=3 458 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,0,0,0,0|1,0,0]=1 459 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,0,0,0,0|1,0,0]=1 460 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|2,0,2]=4 461 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|1,0,2]=3 462 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|1,0,2]=3 463 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|1,0,2]=3 464 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,0,0,0,0|2,0,2]=4 465 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,0,0,0,0|2,0,2]=4 466 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|1,0,2]=3 467 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,0,0,0,0|2,0,2]=4 468 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,0,0,0,0,0|2,0,0]=2 469 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,0,0,0,0,0|2,0,0]=2 470 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,0,0,0,0,0|2,0,0]=2 471 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,0,0,0,0,0|2,0,0]=2 472 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,0,0,0,0,0|2,0,0]=2 473 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,0,0,0,0|1,0,0]=1 474 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,0,0,0,0|1,0,0]=1 475 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [0,0,0,0,0,0|3,0,0]=3 476 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [0,0,0,0,0,0|3,0,0]=3 477 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [0,0,0,0,0,0|3,0,0]=3 478 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,0,0,0,0,0|3,0,0]=3 479 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,0,0,0,0,0|3,0,0]=3 480 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,0,0,0,0,0|2,0,0]=2 481 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,0,0,0,0,0|2,0,0]=2 482 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,0,0,0,0|1,0,0]=1 483 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,0,0,0,0|1,0,0]=1 484 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,0,0,0,0|3,0,1]=4 485 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|1,0,2]=3 486 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,0,0,0,0|2,0,2]=4 487 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,0,0,0,0|2,0,2]=4 488 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|1,0,2]=3 489 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,0,0,0,0|2,0,2]=4 490 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,0,0,0,0|2,0,2]=4 491 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,0,0,0,0,0|2,0,0]=2 492 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,0,0,0,0,0|2,0,0]=2 493 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,0,0,0,0|1,0,0]=1 494 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,0,0,0,0|1,0,0]=1 495 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,0,0,0,0,0|3,0,0]=3 496 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,0,0,0,0,0|3,0,0]=3 497 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,0,0,0,0|1,0,0]=1 498 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,0,0,0,0|1,0,0]=1 499 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,0,0,0,0|3,0,1]=4 500 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,0,0,0,0|2,0,2]=4 501 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,0,0,0,0,0|2,0,0]=2 502 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,0,0,0,0|1,0,0]=1 503 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [0,0,0,0,0,0|3,0,1]=4 504 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,0,0,0,0|3,0,1]=4 505 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,0,0,0,0,0|2,0,2]=4 506 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,0,0,0,0,0|2,0,2]=4 507 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|1,0,2]=3 508 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|1,0,2]=3 509 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|1,0,2]=3 510 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,0,0,0,0|2,0,2]=4 511 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,0,0,0,0|2,0,2]=4 512 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,0,0,0,0|2,0,2]=4 513 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,0,0,0,0,0|2,0,0]=2 514 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,0,0,0,0,0|2,0,0]=2 515 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,0,0,0,0,0|2,0,0]=2 516 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,0,0,0,0,0|2,0,0]=2 517 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,0,0,0,0|1,0,0]=1 518 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,0,0,0,0,0|3,0,0]=3 519 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,0,0,0,0,0|3,0,0]=3 520 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,0,0,0,0,0|3,0,0]=3 521 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,0,0,0,0,0|2,0,0]=2 522 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|2,0,2]=4 523 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,0,0,0,0,0|3,0,0]=3 524 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,0,0,0,0,0|2,0,2]=4 525 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,0,0,0,0,0|2,0,2]=4 526 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|1,0,2]=3 527 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|1,0,2]=3 528 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,0,0,0,0|2,0,2]=4 529 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,0,0,0,0|2,0,2]=4 530 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,0,0,0,0,0|2,0,0]=2 531 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,0,0,0,0,0|2,0,0]=2 532 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,0,0,0,0|1,0,0]=1 533 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,0,0,0,0|1,0,0]=1 534 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|2,0,2]=4 536 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|2,0,2]=4 537 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [0,0,0,0,0,0|3,0,0]=3 538 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [0,0,0,0,0,0|3,0,0]=3 539 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,0,0,0,0,0|2,0,2]=4 540 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,0,0,0,0|2,0,2]=4 541 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,0,0,0,0,0|2,0,0]=2 542 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,0,0,0,0,0|2,0,0]=2 543 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,0,0,0,0,0|2,0,0]=2 544 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,0,0,0,0,0|1,0,0]=1 545 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,0,0,0,0|2,0,1]=3 546 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|2,0,2]=4 547 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|2,0,2]=4 548 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,0,0,0,0,0|3,0,0]=3 549 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,0,0,0,0,0|3,0,0]=3 550 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,0,0,0,0,0|3,0,0]=3 551 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,0,0,0,0,0|3,0,0]=3 552 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,0,0,0,0,0|3,0,0]=3 553 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,0,0,0,0,0|3,0,0]=3 554 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [0,0,0,0,0,0|3,0,1]=4 555 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,0,0,0,0,0|2,0,2]=4 556 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|1,0,2]=3 557 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|1,0,2]=3 558 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|1,0,2]=3 559 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|1,0,2]=3 560 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,0,0,0,0|2,0,2]=4 561 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,0,0,0,0,0|2,0,0]=2 562 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,0,0,0,0,0|2,0,0]=2 563 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,0,0,0,0,0|2,0,0]=2 564 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,0,0,0,0,0|1,0,0]=1 565 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,0,0,0,0,0|3,0,0]=3 566 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,0,0,0,0,0|3,0,0]=3 567 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,0,0,0,0,0|3,0,1]=4 568 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|2,0,2]=4 569 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|2,0,2]=4 570 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|2,0,2]=4 571 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|2,0,2]=4 572 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|2,0,2]=4 573 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,0,0,0,0,0|3,0,0]=3 574 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,0,0,0,0,0|3,0,0]=3 575 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,0,0,0,0,0|3,0,0]=3 576 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,0,0,0,0,0|3,0,0]=3 577 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,0,0,0,0,0|3,0,0]=3 578 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|2,0,2]=4 579 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,0,0,0,0,0|3,0,0]=3 580 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,0,0,0,0,0|3,0,0]=3 581 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,0,0,0,0,0|3,0,0]=3 582 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,0,0,0,0,0|3,0,0]=3 583 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,0,0,0,0,0|3,0,0]=3 584 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,0,0,0,0,0|3,0,0]=3 585 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,0,0,0,0,0|3,0,0]=3 586 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,0,0,0,0,0|3,0,0]=3 587 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,0,0,0,0,0|3,0,0]=3 588 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,0,0,0,0,0|3,0,0]=3 589 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,0,0,0,0,0|3,0,0]=3 590 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,0,0,0,0|3,0,1]=4 591 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,0,0,0,0,0|3,0,0]=3 592 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,0,0,0,0,0|3,0,0]=3 593 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,0,0,0,0,0|2,0,0]=2 594 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,0,0,0,0,0|2,0,0]=2 595 B8R0.7 CCOCSCC(F)F 62a_100000739092_100011934356 [0,0,0,0,0,0|4,0,0]=4 596 B8R0.7 CCOCSCC(F)F 62a_100011934356_100000739092 [0,0,0,0,0,0|4,0,0]=4 597 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,0,0,0,0,0|2,0,0]=2 598 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,0,0,0,0,0|2,0,0]=2 599 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,0,0,0,0,0|2,0,2]=4 600 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,0,0,0,0,0|2,0,2]=4 601 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|1,0,2]=3 602 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|1,0,2]=3 603 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,0,0,0,0|2,0,2]=4 604 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,0,0,0,0|2,0,2]=4 605 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,0,0,0,0,0|2,0,0]=2 606 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,0,0,0,0,0|2,0,0]=2 607 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,0,0,0,0,0|1,0,0]=1 608 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,0,0,0,0,0|1,0,0]=1 609 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,0,0,0,0,0|3,0,0]=3 610 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|2,0,2]=4 611 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|2,0,2]=4 612 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|2,0,2]=4 613 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|2,0,2]=4 614 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|2,0,2]=4 615 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|2,0,2]=4 616 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,0,0,0,0,0|3,0,0]=3 617 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,0,0,0,0,0|3,0,0]=3 618 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,0,0,0,0,0|3,0,0]=3 619 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|2,0,2]=4 620 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|2,0,2]=4 621 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,0,0,0,0,0|3,0,0]=3 622 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,0,0,0,0,0|3,0,0]=3 623 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,0,0,0,0,0|3,0,0]=3 624 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,0,0,0,0,0|3,0,0]=3 625 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,0,0,0,0,0|3,0,0]=3 626 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,0,0,0,0,0|3,0,0]=3 627 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,0,0,0,0,0|3,0,0]=3 628 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,0,0,0,0,0|3,0,0]=3 629 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,0,0,0,0,0|3,0,0]=3 630 B8R0.7 CN(C)CCCCC#N 2230a_100102631434_100000211819 [0,0,0,0,0,0|3,0,1]=4 631 B8R0.7 CN(C)CCCCC#N 269982a_100102631434_100011219923 [0,0,0,0,0,0|3,0,1]=4 632 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,0,0,0,0,0|3,0,1]=4 633 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,0,0,0,0,0|3,0,1]=4 634 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,0,0,0,0,0|3,0,0]=3 635 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,0,0,0,0,0|3,0,0]=3 636 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,0,0,0,0,0|3,0,0]=3 637 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,0,0,0,0,0|3,0,0]=3 638 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,0,0,0,0,0|3,0,0]=3 639 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,0,0,0,0,0|3,0,0]=3 641 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [0,0,0,0,0,0|4,0,0]=4 642 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,0,0,0,0,0|4,0,0]=4 643 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,0,0,0,0,0|4,0,0]=4 644 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,0,0,0,0,0|4,0,0]=4 645 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,0,0,0,0,0|4,0,0]=4 646 B8R0.7 CN(C)CCSCCF 62a_100011217306_100000755713 [0,0,0,0,0,0|4,0,0]=4 647 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,0,0,0,0,0|4,0,0]=4 648 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,0,0,0,0,0|3,0,0]=3 649 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,0,0,0,0,0|3,0,0]=3 650 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,0,0,0,0,0|4,0,0]=4 651 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,0,0,0,0,0|4,0,0]=4 652 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,0,0,0,0|3,0,0]=3 653 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,0,0,0,0|3,0,0]=3 654 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,0,0,0,0|3,0,0]=3 655 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|1,0,2]=3 656 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|1,0,2]=3 657 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|2,0,2]=4 658 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,0,0,0,0,0|2,0,0]=2 659 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,0,0,0,0,0|2,0,0]=2 660 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,0,0,0,0,0|2,0,0]=2 661 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|2,0,2]=4 662 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|2,0,2]=4 663 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|2,0,2]=4 664 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,0,0,0,0|2,1,1]=4 665 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,0,0,0,0|2,1,1]=4 666 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,0,0,0,0|2,1,1]=4 667 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,0,0,0,0,0|3,0,0]=3 668 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,0,0,0,0,0|3,0,0]=3 669 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,0,0,0,0,0|3,0,0]=3 670 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|2,0,2]=4 671 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|2,0,2]=4 672 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|2,0,2]=4 673 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,0,0,0,0|3,0,1]=4 674 B8R0.7 CNCCOCC(F)F 2230a_106832991635_200012177212 [0,0,0,0,0,0|4,0,0]=4 675 B8R0.7 CNCCOCC(F)F 34a_100102657272_200012177212 [0,0,0,0,0,0|4,0,0]=4 676 B8R0.7 CNCCOCC(F)F 7a_106832991635_200012177212 [0,0,0,0,0,0|4,0,0]=4 677 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,0,0,0,0|3,0,0]=3 678 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|1,0,2]=3 679 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|1,0,2]=3 680 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|2,0,2]=4 681 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|2,0,2]=4 682 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,0,0,0,0,0|2,0,0]=2 683 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,0,0,0,0,0|2,0,0]=2 684 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,0,0,0,0,0|2,0,0]=2 685 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,0,0,0,0,0|3,0,0]=3 686 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,0,0,0,0,0|3,0,0]=3 687 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,0,0,0,0|3,0,1]=4 688 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,0,0,0,0|3,0,1]=4 689 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|2,0,2]=4 690 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|2,0,2]=4 691 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|2,0,2]=4 692 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|2,0,2]=4 693 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,0,0,0,0,0|3,0,0]=3 694 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,0,0,0,0,0|3,0,0]=3 695 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,0,0,0,0,0|3,0,0]=3 696 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,0,0,0,0,0|3,0,0]=3 697 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|2,0,2]=4 698 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,0,0,0,0,0|2,1,1]=4 699 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,0,0,0,0,0|3,0,0]=3 700 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,0,0,0,0,0|3,0,0]=3 701 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|2,0,2]=4 702 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,0,0,0,0,0|3,0,0]=3 703 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,0,0,0,0,0|3,0,0]=3 704 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,0,0,0,0|3,0,1]=4 705 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,0,0,0,0,0|3,0,0]=3 706 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,0,0,0,0,0|3,0,0]=3 707 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,0,0,0,0,0|3,0,0]=3 708 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,0,0,0,0,0|3,0,0]=3 709 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,0,0,0,0,0|3,0,0]=3 710 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,0,0,0,0,0|2,0,0]=2 711 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,0,0,0,0,0|2,0,0]=2 712 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,0,0,0,0,0|2,0,0]=2 713 B8R0.7 COCCNCC(F)F 2230a_100000209980_100011934356 [0,0,0,0,0,0|4,0,0]=4 714 B8R0.7 COCCNCC(F)F 34a_100000765723_100011201679 [0,0,0,0,0,0|4,0,0]=4 715 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,0,0,0,0,0|2,0,0]=2 716 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|2,0,2]=4 717 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|2,0,2]=4 718 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|2,0,2]=4 719 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [0,0,0,0,0,0|3,0,0]=3 720 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,0,0,0,0,0|3,0,0]=3 721 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,0,0,0,0,0|3,0,0]=3 722 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,0,0,0,0,0|3,0,0]=3 723 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,0,0,0,0,0|3,0,0]=3 724 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [0,0,0,0,0,0|3,0,0]=3 725 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,0,0,0,0,0|2,0,0]=2 726 B8R0.7 COCCOCC(F)F 34a_100000210237_100011934356 [0,0,0,0,0,0|4,0,0]=4 727 B8R0.7 COCCOCC(F)F 34a_100000704375_200000210301 [0,0,0,0,0,0|4,0,0]=4 728 B8R0.7 COCCOCC(F)F 34a_100000743014_100011201679 [0,0,0,0,0,0|4,0,0]=4 729 B8R0.7 COCCOCC(F)F 34a_100138415774_200012177212 [0,0,0,0,0,0|4,0,0]=4 730 B8R0.7 COCCOCC(F)F 7a_100000704375_200000210301 [0,0,0,0,0,0|4,0,0]=4 731 B8R0.7 COCCOCN(C)C 2230a_100102631434_100000231047 [0,0,0,0,0,0|4,0,0]=4 732 B8R0.7 COCCOCN(C)C 269982a_100102631434_100000231047 [0,0,0,0,0,0|4,0,0]=4 733 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,0,0,0,0,0|3,0,0]=3 734 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [0,0,0,0,0,0|3,0,0]=3 735 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,0,0,0,0,0|2,0,0]=2 736 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,0,0,0,0,0|3,0,0]=3 737 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,0,0,0,0,0|3,0,0]=3 738 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,0,0,0,0,0|3,0,0]=3 739 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,0,0,0,0,0|3,0,0]=3 740 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,0,0,0,0,0|2,0,0]=2 741 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,0,0,0,0,0|2,0,0]=2 742 B8R0.7 COCCSCC(F)F 62a_100000233755_100011934356 [0,0,0,0,0,0|4,0,0]=4 743 B8R0.7 COCCSCC(F)F 62a_100011934356_100000233755 [0,0,0,0,0,0|4,0,0]=4 744 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,0,0,0,0,0|2,0,0]=2 745 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,0,0,0,0,0|2,0,0]=2 746 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,0,0,0,0,0|2,0,0]=2 747 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|2,0,2]=4 748 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|2,0,2]=4 749 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,0,0,0,0,0|3,0,0]=3 750 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,0,0,0,0,0|3,0,0]=3 751 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,0,0,0,0,0|2,0,0]=2 752 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,0,0,0,0,0|2,0,0]=2 753 B8R0.7 COCSCCN(C)C 62a_100000766300_100000755713 [0,0,0,0,0,0|4,0,0]=4 754 B8R0.7 COCSCOC(C)C 62a_100000709892_100000766300 [0,0,0,0,0,0|4,0,0]=4 755 B8R0.7 COCSCOC(C)C 62a_100000766300_100000709892 [0,0,0,0,0,0|4,0,0]=4 756 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,0,0,0,0|3,0,0]=3 757 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,0,0,0,0|3,0,0]=3 758 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|1,0,2]=3 759 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|1,0,2]=3 760 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,0,0,0,0,0|2,0,0]=2 761 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,0,0,0,0,0|2,0,0]=2 762 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,0,0,0,0,0|3,0,0]=3 763 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|2,0,2]=4 764 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|2,0,2]=4 765 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|2,0,2]=4 766 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|2,0,2]=4 767 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,0,0,0,0,0|3,0,0]=3 768 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|2,0,2]=4 769 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|2,0,2]=4 770 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,0,0,0,0,0|2,1,1]=4 771 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,0,0,0,0,0|2,1,1]=4 772 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,0,0,0,0,0|3,0,0]=3 773 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,0,0,0,0,0|3,0,0]=3 774 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|2,0,2]=4 775 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|2,0,2]=4 776 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,0,0,0,0|3,0,1]=4 777 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,0,0,0,0,0|3,0,0]=3 778 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,0,0,0,0,0|3,0,0]=3 779 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,0,0,0,0,0|3,0,0]=3 780 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,0,0,0,0,0|3,0,0]=3 781 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,0,0,0,0,0|2,0,0]=2 782 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,0,0,0,0,0|2,0,0]=2 783 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,0,0,0,0,0|2,0,0]=2 784 B8R0.7 CSCCNCC(F)F 2230a_100020590264_100011934356 [0,0,0,0,0,0|4,0,0]=4 785 B8R0.7 CSCCNCC(F)F 34a_100000765723_100000212216 [0,0,0,0,0,0|4,0,0]=4 786 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,0,0,0,0,0|2,0,0]=2 787 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|2,0,2]=4 788 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [0,0,0,0,0,0|3,0,0]=3 789 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,0,0,0,0,0|3,0,0]=3 790 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,0,0,0,0,0|3,0,0]=3 791 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,0,0,0,0,0|3,0,0]=3 792 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [0,0,0,0,0,0|3,0,0]=3 793 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,0,0,0,0,0|2,0,0]=2 794 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,0,0,0,0,0|2,0,0]=2 795 B8R0.7 CSCCOCC(F)F 34a_100000230434_100011934356 [0,0,0,0,0,0|4,0,0]=4 796 B8R0.7 CSCCOCC(F)F 34a_100000743014_100000212216 [0,0,0,0,0,0|4,0,0]=4 797 B8R0.7 CSCCOCC(F)F 62a_200000210301_200012177212 [0,0,0,0,0,0|4,0,0]=4 798 B8R0.7 CSCCOCC(F)F 62a_200012177212_200000210301 [0,0,0,0,0,0|4,0,0]=4 799 B8R0.7 CSCCOCC(F)F 7a_100000230434_100011934356 [0,0,0,0,0,0|4,0,0]=4 800 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,0,0,0,0,0|3,0,0]=3 801 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [0,0,0,0,0,0|3,0,0]=3 802 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,0,0,0,0,0|2,0,0]=2 803 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,0,0,0,0,0|2,0,0]=2 804 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,0,0,0,0,0|3,0,0]=3 805 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,0,0,0,0,0|3,0,0]=3 806 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,0,0,0,0,0|2,0,0]=2 807 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,0,0,0,0,0|2,0,0]=2 808 B8R0.7 CSCCSCC(F)F 62a_100000212216_100011934356 [0,0,0,0,0,0|4,0,0]=4 809 B8R0.7 CSCCSCC(F)F 62a_100011934356_100000751147 [0,0,0,0,0,0|4,0,0]=4 810 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,0,0,0,0,0|2,0,0]=2 811 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,0,0,0,0,0|2,0,0]=2 812 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,0,0,0,0,0|2,0,0]=2 813 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|2,0,2]=4 814 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,0,0,0,0,0|3,0,0]=3 815 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,0,0,0,0,0|3,0,0]=3 816 B8R0.7 CSCOCCC(F)F 34a_100103093639_100011218213 [0,0,0,0,0,0|4,0,0]=4 817 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,0,0,0,0,0|3,0,0]=3 818 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|2,0,2]=4 819 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|2,0,2]=4 820 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,0,0,0,0,0|3,0,0]=3 821 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,0,0,0,0,0|3,0,0]=3 822 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,0,0,0,0,0|2,0,0]=2 823 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,0,0,0,0,0|2,0,0]=2 824 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [0,0,0,0,0,0|4,0,0]=4 825 B8R0.7 CSCSCOC(C)C 62a_100000709892_100011218213 [0,0,0,0,0,0|4,0,0]=4 826 B8R0.7 CSCSCOC(C)C 62a_100011218213_100000709892 [0,0,0,0,0,0|4,0,0]=4 827 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,0,0,0,0,0|3,0,0]=3 828 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,0,0,0,0,0|3,0,0]=3 829 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,0,0,0,0,0|3,0,1]=4 830 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,0,0,0,0,0|3,0,0]=3 831 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,0,0,0,0,0|3,0,0]=3 832 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [0,0,0,0,0,0|3,0,0]=3 833 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,0,0,0,0,0|3,0,0]=3 834 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,0,0,0,0,0|2,0,0]=2 835 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,0,0,0,0,0|2,0,0]=2 836 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,0,0,0,0,0|2,0,0]=2 837 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,0,0,0,0,0|2,0,0]=2 838 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,0,0,0,0,0|2,0,0]=2 839 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,0,0,0,0,0|2,0,0]=2 840 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [0,0,0,0,0,0|3,0,0]=3 841 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [0,0,0,0,0,0|2,0,1]=3 842 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [0,0,0,0,0,0|2,0,1]=3 843 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,0,0,0,0,0|2,0,0]=2 844 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,0,0,0,0,0|2,0,0]=2 845 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,0,0,0,0,0|2,0,0]=2 846 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,0,0,0,0,0|2,0,0]=2 847 B8R0.7 C[C@@H](O)CSCSC#N 62a_100000211825_100009817552 [0,0,0,0,0,0|3,0,1]=4 848 B8R0.7 C[C@@H](O)CSCSC#N 62a_100009817552_100000211825 [0,0,0,0,0,0|3,0,1]=4 849 B8R0.7 FC(F)COCCCBr 34a_100011217188_100011934356 [0,0,0,0,0,0|4,0,0]=4 850 B8R0.7 FC(F)COCCCCl 34a_100000230001_100011934356 [0,0,0,0,0,0|4,0,0]=4 851 B8R0.7 FCCCNCC(F)F 2230a_100015189416_100011934356 [0,0,0,0,0,0|4,0,0]=4 852 B8R0.7 FCCCNCC(F)F 34a_100000765723_100011934791 [0,0,0,0,0,0|4,0,0]=4 853 B8R0.7 FCCCNCC(F)F 34a_100015189416_100011934356 [0,0,0,0,0,0|4,0,0]=4 854 B8R0.7 FCCCOCC(F)F 34a_100000743014_100011934791 [0,0,0,0,0,0|4,0,0]=4 855 B8R0.7 FCCCOCC(F)F 34a_100000759539_100011934356 [0,0,0,0,0,0|4,0,0]=4 856 B8R0.7 FCCCSCC(F)F 62a_100011934356_100011934791 [0,0,0,0,0,0|4,0,0]=4 857 B8R0.7 FCCCSCC(F)F 62a_100011934791_100011934356 [0,0,0,0,0,0|4,0,0]=4 858 B8R0.7 FCCOCCC(F)F 34a_100103093639_100011217306 [0,0,0,0,0,0|4,0,0]=4 859 B8R0.7 NCCCOCC(F)F 34a_100000182051_100011934356 [0,0,0,0,0,0|4,0,0]=4 860 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,0,0,0,0|3,0,1]=4 861 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,0,0,0,0|3,0,1]=4 862 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,0,0,0,0,0|4,0,0]=4 863 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [0,0,0,0,0,0|4,0,0]=4 864 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,0,0,0,0,0|4,0,0]=4 865 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,0,0,0,0,0|4,0,0]=4 866 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [0,0,0,0,0,0|4,0,0]=4 867 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|1,0,2]=3 868 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|2,0,2]=4 869 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|2,0,2]=4 870 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,0,0,0,0|3,0,1]=4 871 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|2,0,2]=4 872 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|2,0,2]=4 873 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,0,0,0,0|3,0,1]=4 874 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,0,0,0,0|3,0,1]=4 875 B8R0.7 [13CH3]OCCOCC(F)F 34a_100000704375_200025704644 [0,0,0,0,0,0|4,0,0]=4 876 B8R0.7 [13CH3]OCCOCC(F)F 7a_100000704375_200025704644 [0,0,0,0,0,0|4,0,0]=4 877 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,0,0,0,0|3,0,0]=3 878 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,0,0,0,0|3,0,0]=3 879 B8R0.7 [13CH3]SCCOCC(F)F 62a_200012177212_200025704644 [0,0,0,0,0,0|4,0,0]=4 880 B8R0.7 [13CH3]SCCOCC(F)F 62a_200025704644_200012177212 [0,0,0,0,0,0|4,0,0]=4 881 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 882 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 883 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|1,0,2]=4 884 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|1,0,2]=4 885 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|1,0,2]=4 886 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 887 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|1,0,2]=4 888 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 889 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|1,0,2]=4 890 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|1,0,2]=4 891 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 892 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|1,0,2]=4 893 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|1,0,2]=4 894 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|1,0,2]=4 895 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|1,0,2]=4 896 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|1,0,2]=4 897 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|1,0,2]=4 898 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|1,0,2]=4 899 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 900 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|1,0,2]=4 901 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|1,0,2]=4 902 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|1,0,2]=4 903 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|1,0,2]=4 904 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|1,0,2]=4 905 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [1,0,0,0,0,0|1,0,2]=4 906 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [1,0,0,0,0,0|1,0,2]=4 907 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [1,0,0,0,0,0|1,0,2]=4 908 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|1,0,2]=4 909 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|1,0,2]=4 910 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [1,0,0,0,0,0|1,0,2]=4 911 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|1,0,2]=4 912 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|1,0,2]=4 913 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [1,0,0,0,0,0|1,0,2]=4 914 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [1,0,0,0,0,0|1,0,2]=4 915 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|1,0,2]=4 916 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|1,0,2]=4 917 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|1,0,2]=4 918 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [1,0,0,0,0,0|1,0,2]=4 919 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|1,0,2]=4 920 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|1,0,2]=4 921 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|1,0,2]=4 922 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [1,0,0,0,0,0|1,0,2]=4 923 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|1,0,2]=4 924 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [1,0,0,0,0,0|1,0,2]=4 925 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,2]=4 926 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|1,0,2]=4 927 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,2]=4 928 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,2]=4 929 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|1,0,2]=4 930 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,2]=4 931 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,2]=4 932 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|1,0,2]=4 933 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|1,0,2]=4 934 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 935 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 936 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 937 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,2]=4 938 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 939 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 940 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 941 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 942 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,2]=4 943 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 944 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 945 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 946 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,2]=4 947 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,2]=4 948 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,2]=4 949 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,2]=4 950 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 951 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,2]=4 952 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 953 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 954 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 955 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 956 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,2]=4 957 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,2]=4 958 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,2]=4 959 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|1,0,2]=4 960 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|1,0,2]=4 961 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|1,0,2]=4 962 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,2]=4 963 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,2]=4 964 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|1,0,2]=4 965 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,2]=4 966 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,2]=4 967 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|1,0,2]=4 968 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|1,0,2]=4 969 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,2]=4 970 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,2]=4 971 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,2]=4 972 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|1,0,2]=4 973 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 974 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 975 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 976 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|1,0,2]=4 977 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 978 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 979 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|1,0,2]=4 980 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|1,0,2]=4 981 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 982 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 983 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 984 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [1,0,0,0,0,0|1,0,2]=4 985 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [1,0,0,0,0,0|1,0,2]=4 986 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [1,0,0,0,0,0|1,0,2]=4 987 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [1,0,0,0,0,0|1,0,2]=4 988 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,2]=4 989 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,2]=4 990 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [1,0,0,0,0,0|1,0,2]=4 991 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,0,2]=4 992 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,0,2]=4 993 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [1,0,0,0,0,0|1,0,2]=4 994 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [1,0,0,0,0,0|1,0,2]=4 995 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 996 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|1,0,2]=4 997 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|1,0,2]=4 998 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 999 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|1,0,2]=4 1000 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|1,0,2]=4 1001 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 1002 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|1,0,2]=4 1003 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|1,0,2]=4 1004 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|1,0,2]=4 1005 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|1,0,2]=4 1006 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|1,0,2]=4 1007 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|1,0,2]=4 1008 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|1,0,2]=4 1009 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|1,0,2]=4 1010 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|1,0,2]=4 1011 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|1,0,2]=4 1012 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,2]=4 1013 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,2]=4 1014 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|1,0,2]=4 1015 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|1,0,2]=4 1016 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,2]=4 1017 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,2]=4 1018 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,2]=4 1019 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|1,0,2]=4 1020 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1021 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,1]=4 1022 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1023 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1024 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1025 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1026 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [1,0,0,0,0,0|1,0,2]=4 1027 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,0,0,0,0,0|1,0,2]=4 1028 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,0,0,0,0,0|1,0,2]=4 1029 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,0,0,0,0,0|1,0,2]=4 1030 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,0,0,0,0,0|1,0,2]=4 1031 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 1032 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|1,0,2]=4 1033 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 1034 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|1,0,2]=4 1035 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 1036 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [1,0,0,0,0,0|2,0,1]=4 1037 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 1038 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|1,0,2]=4 1039 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 1040 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|1,0,2]=4 1041 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,0,0,0,0,0|2,0,1]=4 1042 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,0]=2 1043 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 1044 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,0]=2 1045 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,0]=2 1046 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,0]=2 1047 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 1048 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,0]=2 1049 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,0]=2 1050 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 1051 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,0]=2 1052 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,0]=2 1053 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,0]=2 1054 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,0]=2 1055 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,0]=2 1056 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,0]=2 1057 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,0]=2 1058 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 1059 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,0]=2 1060 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,0]=2 1061 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 1062 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 1063 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,0]=2 1064 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,0]=2 1065 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,0]=3 1066 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,0]=3 1067 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 1068 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 1069 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,2]=4 1070 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,2]=4 1071 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,0]=2 1072 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,0]=2 1073 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,0]=3 1074 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,0]=3 1075 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,0]=3 1076 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,0]=2 1077 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,0]=2 1078 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,0]=2 1079 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,0]=2 1080 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,0]=3 1081 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,0]=3 1082 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 1083 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,2]=4 1084 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,2]=4 1085 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,0]=3 1086 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 1087 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,0]=2 1088 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,0]=2 1089 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 1090 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,0]=3 1091 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,0]=3 1092 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,0]=2 1093 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,0]=2 1094 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,0]=3 1095 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,0]=3 1096 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,0]=3 1097 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,0]=3 1098 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,0]=3 1099 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,0]=3 1100 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,0]=3 1101 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,0]=3 1102 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 1103 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 1104 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,2]=4 1105 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,2]=4 1106 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,0]=2 1107 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,0]=2 1108 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,0]=3 1109 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,0]=3 1110 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,0]=2 1111 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,0]=2 1112 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,0]=3 1113 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,0]=3 1114 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,0]=3 1115 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,0]=3 1116 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 1117 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,0]=3 1118 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,0]=3 1119 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,0]=3 1120 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,0]=3 1121 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,0]=3 1122 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,0]=3 1123 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,0]=3 1124 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,0]=3 1125 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,0]=2 1126 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 1127 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 1128 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,0]=3 1129 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,0]=3 1130 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,0]=3 1131 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 1132 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,0]=3 1133 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,0]=3 1134 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,0]=3 1135 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 1136 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,0]=3 1137 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,0]=3 1138 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 1139 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 1140 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,0]=3 1141 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,0]=3 1142 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 1143 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,0]=3 1144 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,0]=3 1145 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,0]=3 1146 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,0]=3 1147 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,0]=3 1148 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 1149 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 1150 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,0]=3 1151 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,0]=3 1152 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,0]=2 1153 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,0]=2 1154 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,0]=3 1155 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1156 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 1157 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,0]=3 1158 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,0]=3 1159 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,0]=3 1160 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 1161 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,0]=3 1162 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,0]=3 1163 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,0]=3 1164 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,0]=3 1165 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,0]=3 1166 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [1,0,0,0,0,0|1,0,2]=4 1167 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 1168 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,2]=4 1169 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,0]=3 1170 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,0]=2 1171 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,0]=2 1172 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,0]=2 1173 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,0]=3 1174 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,0]=3 1175 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1176 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,0]=3 1177 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 1178 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,0]=3 1179 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,0]=3 1180 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,0]=3 1181 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [1,0,0,0,0,0|1,0,2]=4 1182 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,0]=3 1183 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 1184 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,0]=3 1185 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 1186 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,0]=3 1187 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,0]=3 1188 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,0]=3 1189 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,0]=3 1190 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,0]=2 1191 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 1192 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 1193 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,0]=3 1194 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,0]=3 1195 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,0]=3 1196 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,0]=3 1197 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 1198 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,0]=3 1199 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,0]=3 1200 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 1201 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,0]=3 1202 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,0]=3 1203 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,0]=3 1204 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 1205 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,0]=3 1206 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 1207 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,0]=3 1208 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,0]=3 1209 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,0]=3 1210 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,0]=3 1211 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,0]=3 1212 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,0,0,0,0,0|3,0,0]=4 1213 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 1214 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,0]=3 1215 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,0]=3 1216 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 1217 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 1218 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 1219 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,0]=3 1220 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,0]=3 1221 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,0]=3 1222 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,0]=3 1223 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,0,0,0,0,0|3,0,0]=4 1224 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,0,0,0,0,0|3,0,0]=4 1225 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,0,0,0,0,0|3,0,0]=4 1226 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,0,0,0,0,0|3,0,0]=4 1227 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|2,0,0]=3 1228 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|2,0,0]=3 1229 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|3,0,0]=4 1230 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|3,0,0]=4 1231 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,0,0,0,0,0|3,0,0]=4 1232 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,0,0,0,0,0|3,0,0]=4 1233 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [1,0,0,0,0,0|1,0,2]=4 1234 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [1,0,0,0,0,0|1,0,2]=4 1235 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 1236 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 1237 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,2]=4 1238 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,2]=4 1239 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,0]=3 1240 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,0]=3 1241 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,0]=2 1242 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,0]=2 1243 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 1244 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,0]=3 1245 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,0]=3 1246 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,0]=3 1247 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 1248 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,0]=3 1249 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 1250 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 1251 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,0]=3 1252 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,0]=3 1253 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,0,0,0,0,0|3,0,0]=4 1254 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,0,0,0,0,0|3,0,0]=4 1255 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1256 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1257 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 1258 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 1259 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1260 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,0]=3 1261 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,0]=3 1262 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,0,0]=2 1263 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,0,0]=2 1264 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,0]=2 1265 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,0,0]=2 1266 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,0,0]=2 1267 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1268 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,0]=3 1269 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,0]=3 1270 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 1271 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|2,0,0]=3 1272 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|2,0,0]=3 1273 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,0]=3 1274 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|2,0,0]=3 1275 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|2,0,0]=3 1276 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|2,0,0]=3 1277 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|3,0,0]=4 1278 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1279 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,0]=3 1280 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1281 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,0]=3 1282 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,0]=3 1283 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1284 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,0]=3 1285 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,0]=3 1286 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,0]=2 1287 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,0]=3 1288 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,0]=3 1289 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,0]=3 1290 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1291 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,0]=3 1292 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,0]=3 1293 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1294 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,0]=3 1295 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,0]=3 1296 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 1297 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 1298 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 1299 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 1300 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|3,0,0]=4 1301 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|3,0,0]=4 1302 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,0]=3 1303 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,0]=3 1304 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,0]=3 1305 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|3,0,0]=4 1306 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|3,0,0]=4 1307 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|3,0,0]=4 1308 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1309 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|3,0,0]=4 1310 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1311 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|3,0,0]=4 1312 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|3,0,0]=4 1313 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1314 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|3,0,0]=4 1315 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1316 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|3,0,0]=4 1317 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|3,0,0]=4 1318 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|3,0,0]=4 1319 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,0]=3 1320 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,0]=3 1321 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|3,0,0]=4 1322 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|3,0,0]=4 1323 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|3,0,0]=4 1324 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|3,0,0]=4 1325 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|3,0,0]=4 1326 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|3,0,0]=4 1327 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|3,0,0]=4 1328 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,0]=3 1329 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,0]=3 1330 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|3,0,0]=4 1331 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|3,0,0]=4 1332 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|3,0,0]=4 1333 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|3,0,0]=4 1334 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|3,0,0]=4 1335 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|3,0,0]=4 1336 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|3,0,0]=4 1337 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|3,0,0]=4 1338 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,0]=3 1339 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,0]=3 1340 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|3,0,0]=4 1341 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|3,0,0]=4 1342 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1343 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1344 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,2]=4 1345 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,2]=4 1346 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,0]=3 1347 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,0]=3 1348 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,0]=2 1349 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,0]=2 1350 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1351 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1352 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1353 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 1354 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,0,0,0,0,0|3,0,0]=4 1355 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,0,0,0,0,0|3,0,0]=4 1356 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|2,0,0]=3 1357 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|2,0,0]=3 1358 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|2,0,0]=3 1359 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,0,0,0,0,0|3,0,0]=4 1360 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1361 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1362 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,0,0,0,0,0|3,0,0]=4 1363 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,0,0,0,0,0|3,0,0]=4 1364 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|2,0,0]=3 1365 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|2,0,0]=3 1366 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|2,0,0]=3 1367 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|2,0,0]=3 1368 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,0,0,0,0,0|3,0,0]=4 1369 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,0,0,0,0,0|3,0,0]=4 1370 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,0,0,0,0,0|3,0,0]=4 1371 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|2,0,0]=3 1372 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|2,0,0]=3 1373 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,0,0,0,0,0|3,0,0]=4 1374 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,0,0,0,0,0|3,0,0]=4 1375 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1376 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,0,0,0,0,0|3,0,0]=4 1377 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,0,0,0,0,0|3,0,0]=4 1378 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,0,0,0,0,0|3,0,0]=4 1379 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,0,0,0,0,0|3,0,0]=4 1380 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,0,0,0,0,0|3,0,0]=4 1381 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,0,0,0,0,0|3,0,0]=4 1382 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,0,0,0,0,0|3,0,0]=4 1383 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|2,0,0]=3 1384 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|2,0,0]=3 1385 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1386 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 1387 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,0,0,0,0,0|3,0,0]=4 1388 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,0,0,0,0,0|3,0,0]=4 1389 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1390 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,0,0,0,0,0|3,0,0]=4 1391 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,0,0,0,0,0|3,0,0]=4 1392 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1393 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,0,0,0,0|3,0,0]=4 1394 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [1,0,0,0,0,0|3,0,0]=4 1395 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [1,0,0,0,0,0|3,0,0]=4 1396 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,0,0,0,0|3,0,0]=4 1397 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,0,0,0,0|3,0,0]=4 1398 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|3,0,0]=4 1399 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1400 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 1401 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1402 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [1,0,0,0,0,0|2,0,1]=4 1403 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [1,0,0,0,0,0|2,0,1]=4 1404 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [1,0,0,0,0,0|2,0,1]=4 1405 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [1,0,0,0,0,0|2,0,1]=4 1406 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [1,0,0,0,0,0|2,0,1]=4 1407 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 1408 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,0,0,0,0|3,0,0]=4 1409 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,0]=3 1410 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,0,0,0,0|3,0,0]=4 1411 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|2,0,0]=3 1412 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,0,0,0,0,0|3,0,0]=4 1413 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,1]=4 1414 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,1]=4 1415 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,0]=3 1416 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|2,0,0]=3 1417 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|2,0,0]=3 1418 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|2,0,0]=3 1419 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|2,0,0]=3 1420 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|2,0,0]=3 1421 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,0]=3 1422 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|2,0,0]=3 1423 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|2,0,0]=3 1424 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,0,0]=3 1425 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,0,0]=3 1426 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|2,0,0]=3 1427 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|2,0,0]=3 1428 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|2,0,0]=3 1429 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|2,0,0]=3 1430 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,0]=3 1431 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,0]=3 1432 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,0]=3 1433 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,0,0]=3 1434 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,0,0]=3 1435 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,0,0]=2 1436 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,0]=2 1437 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|2,0,0]=3 1438 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,0]=3 1439 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|2,0,0]=3 1440 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1441 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,0]=3 1442 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1443 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,0]=3 1444 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1445 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,0]=3 1446 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,0]=3 1447 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1448 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|3,0,0]=4 1449 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1450 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|3,0,0]=4 1451 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1452 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|3,0,0]=4 1453 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1454 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|3,0,0]=4 1455 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|3,0,0]=4 1456 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1457 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1458 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,2]=4 1459 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,2]=4 1460 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,0]=3 1461 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,0]=3 1462 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,0]=2 1463 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,0]=2 1464 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|2,0,0]=3 1465 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|2,0,0]=3 1466 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [1,0,0,0,0,0|1,0,2]=4 1467 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [1,0,0,0,0,0|1,0,2]=4 1468 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [1,0,0,0,0,0|1,0,2]=4 1469 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [1,0,0,0,0,0|1,0,2]=4 1470 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [1,0,0,0,0,0|1,0,2]=4 1471 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [1,0,0,0,0,0|1,0,2]=4 1472 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [1,0,0,0,0,0|1,0,2]=4 1473 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [1,0,0,0,0,0|1,0,2]=4 1474 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,1]=4 1475 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,1]=4 1476 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,1]=4 1477 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,1]=4 1478 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,1]=4 1479 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,1]=4 1480 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,1]=4 1481 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,1]=4 1482 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,1]=4 1483 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|1,0,2]=4 1484 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|1,0,2]=4 1485 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|1,0,2]=4 1486 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|1,0,2]=4 1487 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,0,0,0,0|1,0,2]=4 1488 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,0,0,0,0|1,0,2]=4 1489 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,0,0,0,0,0|1,0,2]=4 1490 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,0,0,0,0,0|1,0,2]=4 1491 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,0,0,0,0,0|1,0,2]=4 1492 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,0,0,0,0,0|1,0,2]=4 1493 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,2]=4 1494 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,2]=4 1495 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,2]=4 1496 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,2]=4 1497 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,2]=4 1498 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,2]=4 1499 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,2]=4 1500 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1501 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,0,0,0,0,0|3,0,0]=4 1502 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,0,0,0,0|3,0,0]=4 1503 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 1504 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 1505 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 1506 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 1507 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,0]=3 1508 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,0]=3 1509 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|3,0,0]=4 1510 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|3,0,0]=4 1511 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,0,0,0,0|3,0,0]=4 1512 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,0,0,0,0|3,0,0]=4 1513 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,0,0,0,0|3,0,0]=4 1514 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,0,0,0,0|3,0,0]=4 1515 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,0,0,0,0|3,0,0]=4 1516 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|3,0,0]=4 1517 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|3,0,0]=4 1518 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|3,0,0]=4 1519 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|3,0,0]=4 1520 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|3,0,0]=4 1521 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,0,0,0,0|3,0,0]=4 1522 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,0,0,0,0|3,0,0]=4 1523 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,0,0,0,0|3,0,0]=4 1524 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|3,0,0]=4 1525 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,0,0,0,0,0|3,0,0]=4 1526 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,0,0,0,0,0|3,0,0]=4 1527 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|3,0,0]=4 1528 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|3,0,0]=4 1529 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,0,0,0,0,0|3,0,0]=4 1530 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,0,0,0,0,0|3,0,0]=4 1531 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,0,0,0,0,0|3,0,0]=4 1532 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,0,0,0,0,0|3,0,0]=4 1533 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,0,0,0,0|3,0,0]=4 1534 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,0,0,0,0|3,0,0]=4 1535 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 1536 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|3,0,0]=4 1537 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|3,0,0]=4 1538 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|3,0,0]=4 1539 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|3,0,0]=4 1540 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|3,0,0]=4 1541 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|3,0,0]=4 1542 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1543 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1544 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|3,0,0]=4 1545 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|3,0,0]=4 1546 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|3,0,0]=4 1547 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|3,0,0]=4 1548 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,0,0,0,0,0|3,0,0]=4 1549 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,0,0,0,0,0|3,0,0]=4 1550 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,0,0,0,0|3,0,0]=4 1551 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,0,0,0,0|3,0,0]=4 1552 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 1553 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 1554 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 1555 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 1556 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|3,0,0]=4 1557 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|3,0,0]=4 1558 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,0,0,0,0,0|3,0,0]=4 1559 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,0,0,0,0|3,0,0]=4 1560 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,0]=2 1561 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,0]=2 1562 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,0,0,0,0,0|2,0,0]=3 1563 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,0,0,0,0,0|2,0,0]=3 1564 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [1,0,0,0,0,0|2,0,1]=4 1565 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|2,0,1]=4 1566 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|2,0,1]=4 1567 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,0,0,0,0|2,0,0]=3 1568 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,0,0,0,0|2,0,0]=3 1569 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,0,0,0,0|2,0,0]=3 1570 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|2,0,0]=3 1571 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|2,0,0]=3 1572 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|2,0,0]=3 1573 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|2,0,0]=3 1574 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,0,0,0,0|2,0,0]=3 1575 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,0,0,0,0|2,0,0]=3 1576 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [1,0,0,0,0,0|2,0,1]=4 1577 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [1,0,0,0,0,0|2,0,1]=4 1578 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,0,0,0,0,0|2,0,1]=4 1579 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,0,0,0,0,0|2,0,1]=4 1580 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,0,0,0,0|2,0,0]=3 1581 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,0,0,0,0|2,0,0]=3 1582 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|2,0,0]=3 1583 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|2,0,0]=3 1584 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,0,0,0,0,0|2,0,1]=4 1585 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,2]=3 1586 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,2]=3 1587 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,2]=3 1588 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1589 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,0]=3 1590 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1591 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,0]=3 1592 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1593 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1594 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 1595 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 1596 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 1597 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,2]=4 1598 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,0]=3 1599 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,0]=3 1600 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,0]=3 1601 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,0]=3 1602 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,0]=3 1603 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,0]=3 1604 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,0]=3 1605 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,0]=3 1606 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,0]=3 1607 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 1608 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,0]=3 1609 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,0]=3 1610 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,0]=3 1611 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,0]=2 1612 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,0]=2 1613 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [1,0,0,0,0,0|3,0,0]=4 1614 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,2]=4 1615 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,2]=4 1616 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,2]=4 1617 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,0]=3 1618 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,0]=3 1619 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,0]=3 1620 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,0]=3 1621 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,0]=2 1622 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [1,0,0,0,0,0|3,0,0]=4 1623 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [1,0,0,0,0,0|3,0,0]=4 1624 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,0]=3 1625 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,0]=3 1626 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,0]=2 1627 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,2]=4 1628 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,2]=4 1629 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,0]=3 1630 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,0]=3 1631 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,0]=2 1632 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,0]=2 1633 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,0,0,0,0,0|3,0,0]=4 1634 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,0,0,0,0,0|3,0,0]=4 1635 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,0]=2 1636 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,0]=2 1637 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,0]=3 1638 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,0]=3 1639 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,0]=2 1640 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,0]=2 1641 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|3,0,0]=4 1642 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,2]=4 1643 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,2]=4 1644 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 1645 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 1646 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,2]=4 1647 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1648 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,0]=3 1649 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,0]=3 1650 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,0]=3 1651 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,0]=2 1652 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,0,0,0,0,0|3,0,0]=4 1653 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1654 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1655 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,0]=3 1656 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|3,0,0]=4 1657 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|3,0,0]=4 1658 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|3,0,0]=4 1659 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,2]=4 1660 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,2]=4 1661 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,2]=4 1662 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,2]=4 1663 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,2]=4 1664 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,0]=3 1665 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,0]=3 1666 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,0]=2 1667 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,0]=2 1668 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1669 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1670 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|3,0,0]=4 1671 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|3,0,0]=4 1672 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|3,0,0]=4 1673 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1674 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1675 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1676 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1677 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1678 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1679 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 1680 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1681 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1682 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,2]=4 1683 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,2]=4 1684 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 1685 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 1686 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,0]=3 1687 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 1688 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 1689 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,0]=2 1690 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,0]=2 1691 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,0]=2 1692 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 1693 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 1694 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1695 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|3,0,0]=4 1696 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1697 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|3,0,0]=4 1698 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|3,0,0]=4 1699 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 1700 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 1701 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 1702 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,0,0,0,0,0|3,0,0]=4 1703 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 1704 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,2]=4 1705 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,2]=4 1706 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,2]=4 1707 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,2]=4 1708 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,2]=4 1709 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,2]=4 1710 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 1711 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,0]=3 1712 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 1713 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,0]=2 1714 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1715 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1716 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1717 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1718 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1719 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1720 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,0,0,0,0,0|3,0,0]=4 1721 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 1722 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 1723 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 1724 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|3,0,0]=4 1725 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|3,0,0]=4 1726 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|3,0,0]=4 1727 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|3,0,0]=4 1728 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|3,0,0]=4 1729 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,0,0,0,0,0|3,0,0]=4 1730 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 1731 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,0,0,0,0,0|3,0,0]=4 1732 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,0,0,0,0,0|3,0,0]=4 1733 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 1734 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,0,0,0,0,0|3,0,0]=4 1735 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,0,0,0,0|2,0,0]=3 1736 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,0,0,0,0,0|3,0,0]=4 1737 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,0,0,0,0,0|3,0,0]=4 1738 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,0,0,0,0,0|2,0,0]=3 1739 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,0,0,0,0,0|2,0,0]=3 1740 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,0,0,0,0,0|2,0,0]=3 1741 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,0,0,0,0,0|2,0,0]=3 1742 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 1743 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,2]=4 1744 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,2]=4 1745 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,2]=4 1746 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,2]=4 1747 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,0]=3 1748 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,0]=3 1749 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,0]=2 1750 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,0]=2 1751 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 1752 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|3,0,0]=4 1753 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|3,0,0]=4 1754 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|3,0,0]=4 1755 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|3,0,0]=4 1756 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|3,0,0]=4 1757 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|3,0,0]=4 1758 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|3,0,0]=4 1759 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|3,0,0]=4 1760 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|3,0,0]=4 1761 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|3,0,0]=4 1762 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|3,0,0]=4 1763 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|3,0,0]=4 1764 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 1765 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 1766 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|2,0,0]=3 1767 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|2,0,0]=3 1768 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,0,0,0,0,0|3,0,0]=4 1769 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|3,0,0]=4 1770 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,0,0,0,0,0|3,0,0]=4 1771 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,0,0,0,0,0|3,0,0]=4 1772 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,0,0,0,0,0|3,0,0]=4 1773 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|3,0,0]=4 1774 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|3,0,0]=4 1775 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|2,0,0]=3 1776 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|2,0,0]=3 1777 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|2,0,0]=3 1778 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|2,0,0]=3 1779 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,0,0,0,0,0|3,0,0]=4 1780 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,0,0,0,0|3,0,0]=4 1781 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,0,0,0,0,0|3,0,0]=4 1782 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,0,0,0,0,0|3,0,0]=4 1783 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,0,0,0,0|3,0,0]=4 1784 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,0,0,0,0|2,0,0]=3 1785 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|2,0,0]=3 1786 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|2,0,0]=3 1787 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,0,0,0,0|2,0,0]=3 1788 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,0,0,0,0|2,0,0]=3 1789 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [1,0,0,0,0,0|2,0,1]=4 1790 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [1,0,0,0,0,0|2,0,1]=4 1791 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,0,0,0,0,0|2,0,1]=4 1792 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,0,0,0,0,0|2,0,1]=4 1793 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,0,0,0,0|2,0,0]=3 1794 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,0,0,0,0|2,0,0]=3 1795 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|2,0,0]=3 1796 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|2,0,0]=3 1797 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,2]=4 1798 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|0,0,3]=4 1799 B9R0.1 C#CC(C)NCCC(C)O 2230a_100000707721_100012276601 [0,1,0,0,0,0|1,0,2]=4 1800 B9R0.1 C#CC(C)NCCC(C)O 34a_100000707721_100012276601 [0,1,0,0,0,0|1,0,2]=4 1801 B9R0.1 C#CC(C)SCCC(C)O 62a_200000035995_100012276601 [0,1,0,0,0,0|1,0,2]=4 1802 B9R0.1 C#C[C@@H](C)OCCC(C)O 34a_100009815206_100012276601 [0,1,0,0,0,0|1,0,2]=4 1803 B9R0.1 C#C[C@@H](C)OCCC(C)O 7a_100009815206_100012276601 [0,1,0,0,0,0|1,0,2]=4 1804 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,0|2,0,1]=4 1805 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|2,0,1]=4 1810 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,1,0,0,0,0|2,0,1]=4 1811 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|2,0,1]=4 1812 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,0|2,0,1]=4 1813 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|2,0,1]=4 1814 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|2,0,1]=4 1815 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|2,0,1]=4 1816 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|2,0,1]=4 1817 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,1,0,0,0,0|2,0,1]=4 1818 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,1,0,0,0,0|2,0,1]=4 1819 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|2,0,1]=4 1820 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|2,0,1]=4 1821 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|0,0,3]=4 1822 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [0,1,0,0,0,0|1,0,2]=4 1823 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [0,1,0,0,0,0|1,0,2]=4 1824 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [0,1,0,0,0,0|1,0,2]=4 1825 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [0,1,0,0,0,0|1,0,2]=4 1826 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,1,0,0,0,0|1,0,2]=4 1827 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,1,0,0,0,0|1,0,2]=4 1828 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,1,0,0,0,0|1,0,2]=4 1832 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,1,0,0,0,0|1,0,2]=4 1833 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,1,0,0,0,0|1,0,2]=4 1834 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [0,1,0,0,0,0|1,0,2]=4 1835 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [0,1,0,0,0,0|1,0,2]=4 1836 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1837 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,1,0,0,0,0|3,0,0]=4 1838 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,1,0,0,0,0|3,0,0]=4 1839 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [0,1,0,0,0,0|3,0,0]=4 1840 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,1,0,0,0,0|3,0,0]=4 1841 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|2,0,1]=4 1842 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|2,0,1]=4 1843 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,0]=3 1844 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|2,0,0]=3 1846 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,0|3,0,0]=4 1848 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,0|3,0,0]=4 1849 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,0|3,0,0]=4 1856 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,0,0,0,0|3,0,0]=4 1858 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,0,0,0,0|3,0,0]=4 1859 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,0,0,0,0|3,0,0]=4 1860 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,0,0,0,0|3,0,0]=4 1861 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,0,0,0,0|3,0,0]=4 1862 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,1,0,0,0,0|3,0,0]=4 1863 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,1,0,0,0,0|3,0,0]=4 1864 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,0,0,0,0|3,0,0]=4 1865 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,0,0,0,0|3,0,0]=4 1866 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,0,0,0,0|3,0,0]=4 1867 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,0,0,0,0|3,0,0]=4 1868 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,0,0,0,0|3,0,0]=4 1869 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [0,1,0,0,0,0|3,0,0]=4 1870 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [0,1,0,0,0,0|3,0,0]=4 1871 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,0|3,0,0]=4 1872 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,0|3,0,0]=4 1873 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,0|3,0,0]=4 1874 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,0|3,0,0]=4 1875 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [0,1,0,0,0,0|3,0,0]=4 1876 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,0|3,0,0]=4 1877 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,0|3,0,0]=4 1878 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,1,0,0,0,0|3,0,0]=4 1879 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,1,0,0,0,0|3,0,0]=4 1880 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,0|3,0,0]=4 1881 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,0|3,0,0]=4 1884 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|2,0,0]=3 1885 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,0|3,0,0]=4 1886 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,0|3,0,0]=4 1887 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|2,0,0]=3 1888 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,1,0,0,0,0|3,0,0]=4 1889 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,1,0,0,0,0|3,0,0]=4 1890 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,1,0,0,0,0|3,0,0]=4 1891 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [0,1,0,0,0,0|3,0,0]=4 1892 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,1,0,0,0,0|3,0,0]=4 1893 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|1,0,1]=3 1894 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|2,0,1]=4 1895 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|2,0,1]=4 1896 B9R0.1 CC(O)CCNC(C)C#N 2230a_100000737613_100012276601 [0,1,0,0,0,0|2,0,1]=4 1897 B9R0.1 CC(O)CCNC(C)C#N 2230a_200000755665_100000184139 [0,1,0,0,0,0|2,0,1]=4 1898 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,1,0,0,0,0|2,0,0]=3 1899 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,1,0,0,0,0|2,0,0]=3 1900 B9R0.1 CC(O)CCOC(C)C#N 34a_100011218135_100012276601 [0,1,0,0,0,0|2,0,1]=4 1901 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,0,0,0,0|2,0,0]=3 1902 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,0,0,0,0|2,0,0]=3 1903 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,0|2,0,0]=3 1904 B9R0.1 CC(O)CCSC(C)C#N 62a_100000703298_100012276601 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.1 CC(O)CCSC(C)C#N 62a_100012276601_100000703298 [0,1,0,0,0,0|2,0,1]=4 1906 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,1,0,0,0,0|2,0,0]=3 1907 B9R0.1 CC(O)CCSC(F)C#N 62a_100012276601_200000117898 [0,1,0,0,0,0|2,0,1]=4 1908 B9R0.1 CC(O)CCSC(F)C#N 62a_200000117898_100012276601 [0,1,0,0,0,0|2,0,1]=4 1909 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,1,0,0,0,0|2,0,0]=3 1910 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,1,0,0,0,0|2,0,0]=3 1911 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,1,0,0,0,0|2,0,0]=3 1912 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,1,0,0,0,0|2,0,0]=3 1913 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,1,0,0,0,0|2,0,0]=3 1914 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,1,0,0,0,0|2,0,0]=3 1915 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,0,0,0,0|2,0,0]=3 1916 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,1,0,0,0,0|2,0,0]=3 1917 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [0,1,0,0,0,0|2,0,0]=3 1918 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,0,0,0,0|2,0,0]=3 1919 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,1,0,0,0,0|2,0,0]=3 1920 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,0,0,0,0|2,0,0]=3 1921 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,1,0,0,0,0|2,0,0]=3 1922 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,0|2,0,0]=3 1923 B9R0.1 CC(O)COCC(Cl)CCl 34a_100000033668_100011218427 [0,1,0,0,0,0|2,0,0]=3 1924 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [0,1,0,0,0,0|2,0,0]=3 1925 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,1,0,0,0,0|2,0,0]=3 1926 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,1,0,0,0,0|2,0,0]=3 1927 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,0,0,0,0|2,0,0]=3 1928 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,0,0,0,0|2,0,0]=3 1929 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,1,0,0,0,0|2,0,0]=3 1930 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,1,0,0,0,0|2,0,0]=3 1931 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,1,0,0,0,0|2,0,0]=3 1932 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,1,0,0,0,0|2,0,0]=3 1933 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|0,0,3]=4 1934 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,1]=3 1935 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,1]=3 1936 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|0,0,1]=2 1937 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,1]=4 1938 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|2,0,1]=4 1939 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|2,0,1]=4 1940 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|1,0,1]=3 1943 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|1,0,1]=3 1944 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|1,0,1]=3 1947 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|1,0,1]=3 1948 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|1,0,1]=3 1949 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|1,0,1]=3 1950 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 1951 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 1952 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 1953 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|2,0,1]=4 1954 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|1,0,1]=3 1955 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|1,0,1]=3 1956 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 1958 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 1959 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 1960 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|1,0,2]=4 1961 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|2,0,1]=4 1964 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,1,0,0,0,0|2,0,0]=3 1965 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,1,0,0,0,0|2,0,0]=3 1966 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,1,0,0,0,0|2,0,0]=3 1967 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,1,0,0,0,0|2,0,0]=3 1968 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,1,0,0,0,0|2,0,0]=3 1969 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|1,0,0]=2 1970 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|1,0,0]=2 1971 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|1,0,0]=2 1972 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|1,0,0]=2 1973 B9R0.1 CCC(C)CNCC(F)F 2230a_100020588543_100011934356 [0,1,0,0,0,0|3,0,0]=4 1974 B9R0.1 CCC(C)CNCC(F)F 270004a_100000765723_100000243153 [0,1,0,0,0,0|3,0,0]=4 1975 B9R0.1 CCC(C)CNCC(F)F 34a_100000765723_100000748023 [0,1,0,0,0,0|3,0,0]=4 1976 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|1,0,0]=2 1977 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|1,0,2]=4 1978 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,1,0,0,0,0|2,0,0]=3 1979 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,1,0,0,0,0|2,0,0]=3 1980 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,1,0,0,0,0|2,0,0]=3 1981 B9R0.1 CCC(C)COCC(F)F 34a_100000743014_100000748023 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,1,0,0,0,0|2,0,0]=3 1983 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,1,0,0,0,0|2,0,0]=3 1984 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,1,0,0,0,0|2,0,0]=3 1985 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,1,0,0,0,0|2,0,0]=3 1986 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|1,0,0]=2 1987 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|1,0,0]=2 1988 B9R0.1 CCC(C)CSCC(F)F 62a_100000748023_100011934356 [0,1,0,0,0,0|3,0,0]=4 1989 B9R0.1 CCC(C)CSCC(F)F 62a_100011934356_100000748023 [0,1,0,0,0,0|3,0,0]=4 1990 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|1,0,0]=2 1991 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|1,0,0]=2 1992 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,0|2,0,0]=3 1993 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,0|2,0,0]=3 1994 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|1,0,0]=2 1995 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|1,0,0]=2 1996 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,1,0,0,0,0|3,0,0]=4 1997 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|1,0,2]=4 1998 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|1,0,2]=4 1999 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|1,0,2]=4 2000 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,0,0,0,0|2,0,0]=3 2001 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,0|2,0,0]=3 2002 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,0|2,0,0]=3 2003 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|1,0,0]=2 2005 B9R0.1 CCC(C)OCCC(F)F 34a_100103093639_100011215416 [0,1,0,0,0,0|3,0,0]=4 2006 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,1,0,0,0,0|3,0,0]=4 2007 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|1,0,2]=4 2009 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|1,0,2]=4 2010 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,0|2,0,0]=3 2011 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,0|2,0,0]=3 2012 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|1,0,0]=2 2013 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|1,0,0]=2 2014 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,1,0,0,0,0|3,0,0]=4 2015 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,1,0,0,0,0|3,0,0]=4 2016 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,1,0,0,0,0|3,0,0]=4 2017 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|2,0,1]=4 2018 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|2,0,0]=3 2019 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|2,0,0]=3 2021 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|2,0,0]=3 2022 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,0,0,0,0|1,0,0]=2 2023 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,0,0,0,0|1,0,0]=2 2024 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,0,0,0,0|1,0,0]=2 2025 B9R0.1 CCC(O)CNCC(F)F 2230a_100011218483_100011934356 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.1 CCC(O)CNCC(F)F 34a_100000765723_100011218378 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,0,0,0,0|1,0,0]=2 2028 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|1,0,2]=4 2029 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,1,0,0,0,0|2,0,0]=3 2030 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|2,0,0]=3 2031 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,1,0,0,0,0|2,0,0]=3 2032 B9R0.1 CCC(O)COCC(F)F 34a_100000743014_100011218378 [0,1,0,0,0,0|3,0,0]=4 2033 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,1,0,0,0,0|2,0,0]=3 2034 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,1,0,0,0,0|2,0,0]=3 2035 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|2,0,0]=3 2037 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,0,0,0,0|1,0,0]=2 2038 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,0,0,0,0|1,0,0]=2 2039 B9R0.1 CCC(O)CSCC(F)F 62a_100011218378_100011934356 [0,1,0,0,0,0|3,0,0]=4 2040 B9R0.1 CCC(O)CSCC(F)F 62a_100011934356_100011218378 [0,1,0,0,0,0|3,0,0]=4 2041 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,0,0,0,0|1,0,0]=2 2042 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,0,0,0,0|1,0,0]=2 2043 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|1,0,2]=4 2044 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|1,0,2]=4 2045 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,0|2,0,1]=4 2046 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|2,0,0]=3 2047 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|2,0,0]=3 2048 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|1,0,0]=2 2049 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|1,0,0]=2 2050 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 2051 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,1,0,0,0,0|3,0,0]=4 2053 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,1,0,0,0,0|3,0,0]=4 2054 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,1,0,0,0,0|3,0,0]=4 2055 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,1,0,0,0,0|3,0,0]=4 2056 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,1,0,0,0,0|3,0,0]=4 2057 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,1,0,0,0,0|3,0,0]=4 2058 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,1,0,0,0,0|3,0,0]=4 2059 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,1,0,0,0,0|3,0,0]=4 2060 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|2,0,1]=4 2061 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,1,0,0,0,0|2,0,0]=3 2062 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,1,0,0,0,0|2,0,0]=3 2063 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|1,0,0]=2 2064 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|1,0,0]=2 2065 B9R0.1 CC[C@H](C)CNCC(F)F 34a_100000765723_100009816398 [0,1,0,0,0,0|3,0,0]=4 2066 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|1,0,2]=4 2067 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,1,0,0,0,0|2,0,0]=3 2068 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,1,0,0,0,0|2,0,0]=3 2069 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,1,0,0,0,0|2,0,0]=3 2070 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,1,0,0,0,0|2,0,0]=3 2071 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|1,0,0]=2 2072 B9R0.1 CC[C@H](C)COCC(F)F 34a_100000743014_100009816398 [0,1,0,0,0,0|3,0,0]=4 2073 B9R0.1 CC[C@H](C)COCC(F)F 7a_100009816381_100011934356 [0,1,0,0,0,0|3,0,0]=4 2074 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,1,0,0,0,0|2,0,0]=3 2075 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,1,0,0,0,0|2,0,0]=3 2076 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|1,0,0]=2 2077 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,1,0,0,0,0|2,0,0]=3 2078 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,1,0,0,0,0|2,0,0]=3 2079 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|1,0,0]=2 2080 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|1,0,0]=2 2081 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100009816398_100011934356 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100011934356_100009816398 [0,1,0,0,0,0|3,0,0]=4 2083 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|1,0,0]=2 2084 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|1,0,0]=2 2085 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|2,0,1]=4 2086 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|2,0,1]=4 2087 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|2,0,1]=4 2088 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|2,0,1]=4 2089 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,1]=3 2090 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,1]=3 2091 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 2092 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,1]=4 2093 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,1]=4 2095 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|2,0,1]=4 2097 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|2,0,1]=4 2098 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|2,0,1]=4 2099 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|2,0,1]=4 2100 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|2,0,1]=4 2101 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,1]=4 2102 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,1]=4 2103 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,1]=4 2104 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,1]=4 2105 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2106 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,0]=3 2107 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,0|3,0,0]=4 2108 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 2109 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 2110 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,1]=4 2111 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,1]=4 2112 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,1]=4 2113 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|2,0,0]=3 2115 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|2,0,0]=3 2116 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|3,0,0]=4 2117 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,0|3,0,0]=4 2118 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,0|2,0,0]=3 2119 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,0|2,0,0]=3 2120 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,0|3,0,0]=4 2122 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,0|2,0,0]=3 2123 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,0|2,0,0]=3 2124 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,0|3,0,0]=4 2125 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,0|3,0,0]=4 2126 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,1,0,0,0,0|2,0,0]=3 2127 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,1,0,0,0,0|2,0,0]=3 2128 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,1,0,0,0,0|3,0,0]=4 2129 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,1,0,0,0,0|3,0,0]=4 2130 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,0,0,0,0|2,0,0]=3 2131 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,0,0,0,0|2,0,0]=3 2132 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,1,0,0,0,0|3,0,0]=4 2133 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [0,1,0,0,0,0|3,0,0]=4 2134 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,1,0,0,0,0|3,0,0]=4 2135 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [0,1,0,0,0,0|3,0,0]=4 2137 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,1,0,0,0,0|3,0,0]=4 2138 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,1,0,0,0,0|2,0,0]=3 2139 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,1,0,0,0,0|2,0,0]=3 2140 B9R0.1 C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100009817552 [0,1,0,0,0,0|2,0,0]=3 2141 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,1,0,0,0,0|2,0,0]=3 2143 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,1,0,0,0,0|2,0,0]=3 2144 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,1,0,0,0,0|2,0,0]=3 2145 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,1,0,0,0,0|2,0,0]=3 2146 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,1,0,0,0,0|2,0,0]=3 2147 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,1,0,0,0,0|2,0,0]=3 2148 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|0,0,3]=4 2149 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|0,0,3]=4 2150 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|0,0,3]=4 2151 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.2 C#CCCCCNC(C)C 2230a_100000706060_100000210206 [0,1,0,0,0,0|1,0,2]=4 2154 B9R0.2 C#CCCCCNC(C)C 2230a_100138425928_100010269958 [0,1,0,0,0,0|1,0,2]=4 2155 B9R0.2 C#CCCCCNC(C)C 34a_100000706060_100000210206 [0,1,0,0,0,0|1,0,2]=4 2156 B9R0.2 C#CCCCCNC(C)C 34a_100138425928_100010269958 [0,1,0,0,0,0|1,0,2]=4 2157 B9R0.2 C#CCCCCOC(C)C 34a_100000212225_100010269958 [0,1,0,0,0,0|1,0,2]=4 2158 B9R0.2 C#CCCCCOC(C)C 34a_100000766709_100000210206 [0,1,0,0,0,0|1,0,2]=4 2159 B9R0.2 C#CCCCCOC(C)C 7a_100000766709_100000210206 [0,1,0,0,0,0|1,0,2]=4 2160 B9R0.2 C#CCCCCSC(C)C 62a_100000210206_100010269958 [0,1,0,0,0,0|1,0,2]=4 2161 B9R0.2 C#CCCCCSC(C)C 62a_100010269958_100000210206 [0,1,0,0,0,0|1,0,2]=4 2162 B9R0.2 C#CCCCNCC(C)C 2230a_100000210953_100000731252 [0,1,0,0,0,0|1,0,2]=4 2163 B9R0.2 C#CCCCNCC(C)C 270004a_100000718082_100000210432 [0,1,0,0,0,0|1,0,2]=4 2164 B9R0.2 C#CCCCNCC(C)C 34a_100000210953_100000695029 [0,1,0,0,0,0|1,0,2]=4 2165 B9R0.2 C#CCCCNCC(C)C 34a_100000718082_100000210624 [0,1,0,0,0,0|1,0,2]=4 2166 B9R0.2 C#CCCCNCC(C)O 2230a_100000210904_100000731252 [0,1,0,0,0,0|0,0,2]=3 2167 B9R0.2 C#CCCCNCC(C)O 34a_100000210904_100000695029 [0,1,0,0,0,0|0,0,2]=3 2168 B9R0.2 C#CCCCNCC(C)O 34a_100000718082_100011218427 [0,1,0,0,0,0|0,0,2]=3 2169 B9R0.2 C#CCCCNC[C@@H](C)O 34a_100000718082_100009817552 [0,1,0,0,0,0|0,0,2]=3 2170 B9R0.2 C#CCCCOCC(C)Br 34a_100012180447_100000695029 [0,1,0,0,0,0|1,0,2]=4 2171 B9R0.2 C#CCCCOCC(C)C 34a_100000210257_100000695029 [0,1,0,0,0,0|1,0,2]=4 2172 B9R0.2 C#CCCCOCC(C)C 34a_100000215630_100000210624 [0,1,0,0,0,0|1,0,2]=4 2173 B9R0.2 C#CCCCOCC(C)C 7a_100000215630_100000210760 [0,1,0,0,0,0|1,0,2]=4 2174 B9R0.2 C#CCCCOCC(C)F 34a_100015925927_100000695029 [0,1,0,0,0,0|1,0,2]=4 2175 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [0,1,0,0,0,0|0,0,2]=3 2176 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [0,1,0,0,0,0|0,0,2]=3 2177 B9R0.2 C#CCCCOC[C@@H](C)Cl 34a_100016084084_100000695029 [0,1,0,0,0,0|1,0,2]=4 2178 B9R0.2 C#CCCCOC[C@@H](C)N 34a_100000737577_100000695029 [0,1,0,0,0,0|1,0,2]=4 2179 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [0,1,0,0,0,0|0,0,2]=3 2180 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [0,1,0,0,0,0|0,0,2]=3 2181 B9R0.2 C#CCCCSCC(C)C 62a_100000210624_100011215417 [0,1,0,0,0,0|1,0,2]=4 2182 B9R0.2 C#CCCCSCC(C)C 62a_100011215417_100000210760 [0,1,0,0,0,0|1,0,2]=4 2183 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [0,1,0,0,0,0|0,0,2]=3 2184 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [0,1,0,0,0,0|0,0,2]=3 2185 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [0,1,0,0,0,0|0,0,2]=3 2186 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [0,1,0,0,0,0|0,0,2]=3 2187 B9R0.2 C#CCCNCCC(C)C 34a_100000755551_100000210312 [0,1,0,0,0,0|1,0,2]=4 2188 B9R0.2 C#CCCNCCC(C)O 2230a_200000755665_100000688953 [0,1,0,0,0,0|0,0,2]=3 2189 B9R0.2 C#CCCNCCC(C)O 34a_100000755551_100012276601 [0,1,0,0,0,0|0,0,2]=3 2190 B9R0.2 C#CCCOCCC(C)Br 34a_100009893172_100000688953 [0,1,0,0,0,0|1,0,2]=4 2191 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,1,0,0,0,0|1,0,2]=4 2192 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,1,0,0,0,0|1,0,2]=4 2193 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,1,0,0,0,0|1,0,2]=4 2194 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [0,1,0,0,0,0|0,0,2]=3 2195 B9R0.2 C#CCCOCC[C@@H](C)N 34a_100000706166_100000688953 [0,1,0,0,0,0|1,0,2]=4 2196 B9R0.2 C#CCCSCCC(C)C 62a_100000210312_100000688953 [0,1,0,0,0,0|1,0,2]=4 2197 B9R0.2 C#CCCSCCC(C)C 62a_100000688953_100000210312 [0,1,0,0,0,0|1,0,2]=4 2198 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [0,1,0,0,0,0|0,0,2]=3 2199 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [0,1,0,0,0,0|0,0,2]=3 2200 B9R0.2 C#CCNCCCC(C)C 2230a_200000737386_100000038162 [0,1,0,0,0,0|1,0,2]=4 2201 B9R0.2 C#CCNCCCC(C)C 34a_100000212058_100011214892 [0,1,0,0,0,0|1,0,2]=4 2202 B9R0.2 C#CCNCCCC(C)C 34a_200000737386_100000184674 [0,1,0,0,0,0|1,0,2]=4 2203 B9R0.2 C#CCNCCCC(C)O 34a_100000212058_200000718107 [0,1,0,0,0,0|0,0,2]=3 2204 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [0,1,0,0,0,0|1,0,2]=4 2205 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [0,1,0,0,0,0|1,0,2]=4 2206 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [0,1,0,0,0,0|1,0,2]=4 2207 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [0,1,0,0,0,0|0,0,2]=3 2208 B9R0.2 C#CCSCCCC(C)C 62a_100000038162_100011214892 [0,1,0,0,0,0|1,0,2]=4 2209 B9R0.2 C#CCSCCCC(C)O 62a_100000038162_200000718107 [0,1,0,0,0,0|0,0,2]=3 2210 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [0,1,0,0,0,0|1,0,2]=4 2211 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,1,0,0,0,0|0,0,2]=3 2212 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,1,0,0,0,0|0,0,2]=3 2213 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,1,0,0,0,0|1,0,2]=4 2214 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,1,0,0,0,0|1,0,2]=4 2215 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,1,0,0,0,0|1,0,2]=4 2216 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,1,0,0,0,0|1,0,2]=4 2217 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,1,0,0,0,0|0,0,2]=3 2218 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,1,0,0,0,0|1,0,2]=4 2219 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,1,0,0,0,0|1,0,2]=4 2220 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,1,0,0,0,0|1,0,2]=4 2221 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,1,0,0,0,0|0,0,2]=3 2222 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,1,0,0,0,0|0,0,2]=3 2223 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|1,0,2]=4 2224 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|1,0,1]=3 2225 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|1,0,1]=3 2226 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,0,0,0,0|2,0,1]=4 2227 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,0,0,0,0|2,0,1]=4 2228 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|1,0,1]=3 2232 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|1,0,1]=3 2233 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|1,0,1]=3 2234 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|2,0,1]=4 2235 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|2,0,1]=4 2237 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|2,0,1]=4 2238 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|2,0,1]=4 2239 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,1,0,0,0,0|2,0,1]=4 2240 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,1,0,0,0,0|2,0,1]=4 2243 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|1,0,1]=3 2245 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|1,0,1]=3 2246 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,1,0,0,0,0|2,0,1]=4 2247 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,1,0,0,0,0|2,0,1]=4 2248 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,1,0,0,0,0|2,0,1]=4 2249 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,1,0,0,0,0|2,0,1]=4 2250 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,1,0,0,0,0|2,0,1]=4 2251 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,1,0,0,0,0|2,0,1]=4 2252 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,1,0,0,0,0|2,0,1]=4 2253 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,1,0,0,0,0|2,0,1]=4 2254 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,1,0,0,0,0|2,0,1]=4 2255 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|1,0,1]=3 2257 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 2258 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 2259 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|2,0,1]=4 2260 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,1,0,0,0,0|2,0,1]=4 2262 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|1,0,1]=3 2266 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|1,0,1]=3 2267 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|1,0,1]=3 2268 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 2269 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 2270 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|2,0,1]=4 2271 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 2272 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 2273 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|2,0,1]=4 2274 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 2275 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|2,0,1]=4 2276 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|2,0,1]=4 2277 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|2,0,1]=4 2278 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|2,0,1]=4 2279 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|2,0,1]=4 2280 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|2,0,1]=4 2281 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,0,0,0,0|2,0,1]=4 2282 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,0,0,0,0|2,0,1]=4 2283 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,0,0,0,0|2,0,1]=4 2284 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,1,0,0,0,0|2,0,1]=4 2285 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,1,0,0,0,0|2,0,1]=4 2286 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|1,0,1]=3 2288 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|1,0,1]=3 2289 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|2,0,1]=4 2290 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|2,0,1]=4 2291 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|2,0,1]=4 2292 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|2,0,1]=4 2293 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|2,0,1]=4 2294 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|2,0,1]=4 2295 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,1,0,0,0,0|2,0,1]=4 2298 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|1,0,2]=4 2300 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|1,0,2]=4 2301 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|1,0,2]=4 2302 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|1,0,2]=4 2303 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|1,0,2]=4 2304 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|1,0,2]=4 2305 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|0,0,3]=4 2306 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|0,0,3]=4 2307 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|0,0,3]=4 2308 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,1,0,0,0,0|2,0,1]=4 2309 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,1,0,0,0,0|2,0,1]=4 2310 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,1,0,0,0,0|1,0,2]=4 2311 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,1,0,0,0,0|1,0,2]=4 2312 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,1,0,0,0,0|1,0,2]=4 2313 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,1,0,0,0,0|1,0,2]=4 2314 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,1,0,0,0,0|1,0,2]=4 2315 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,1,0,0,0,0|1,0,2]=4 2316 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,1,0,0,0,0|1,0,2]=4 2317 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,1,0,0,0,0|1,0,2]=4 2318 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,1,0,0,0,0|1,0,2]=4 2319 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,1,0,0,0,0|1,0,2]=4 2320 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,1,0,0,0,0|1,0,2]=4 2321 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,1,0,0,0,0|1,0,2]=4 2322 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,1,0,0,0,0|1,0,2]=4 2323 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,1,0,0,0,0|1,0,2]=4 2324 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,1,0,0,0,0|0,0,2]=3 2325 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,1,0,0,0,0|0,0,2]=3 2326 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,1,0,0,0,0|0,0,2]=3 2327 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,1,0,0,0,0|0,0,2]=3 2328 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,1,0,0,0,0|0,0,2]=3 2329 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,1,0,0,0,0|0,0,2]=3 2330 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,1,0,0,0,0|1,0,2]=4 2332 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,1,0,0,0,0|1,0,2]=4 2333 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,1,0,0,0,0|1,0,2]=4 2334 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,1,0,0,0,0|1,0,2]=4 2335 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,1,0,0,0,0|0,0,2]=3 2336 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,1,0,0,0,0|0,0,2]=3 2337 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,1,0,0,0,0|1,0,2]=4 2338 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,1,0,0,0,0|1,0,2]=4 2339 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,1,0,0,0,0|0,0,2]=3 2340 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,1,0,0,0,0|0,0,2]=3 2341 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,1,0,0,0,0|1,0,2]=4 2342 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,1,0,0,0,0|1,0,2]=4 2343 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,1,0,0,0,0|0,0,2]=3 2344 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,1,0,0,0,0|0,0,2]=3 2345 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,1,0,0,0,0|0,0,2]=3 2346 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,1,0,0,0,0|0,0,2]=3 2347 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,1,0,0,0,0|1,0,2]=4 2348 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,1,0,0,0,0|1,0,2]=4 2349 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,1,0,0,0,0|0,0,2]=3 2350 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,1,0,0,0,0|0,0,2]=3 2351 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,1,0,0,0,0|1,0,2]=4 2352 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,1,0,0,0,0|1,0,2]=4 2353 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,1,0,0,0,0|1,0,2]=4 2354 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,1,0,0,0,0|1,0,2]=4 2355 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,1,0,0,0,0|0,0,2]=3 2356 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,1,0,0,0,0|1,0,2]=4 2357 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,1,0,0,0,0|1,0,2]=4 2358 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,1,0,0,0,0|1,0,2]=4 2359 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,1,0,0,0,0|0,0,2]=3 2360 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,1,0,0,0,0|0,0,2]=3 2361 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,1,0,0,0,0|1,0,2]=4 2362 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,1,0,0,0,0|0,0,2]=3 2365 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,1,0,0,0,0|1,0,2]=4 2367 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,1,0,0,0,0|1,0,2]=4 2368 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,1,0,0,0,0|0,0,2]=3 2369 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,1,0,0,0,0|1,0,2]=4 2370 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,1,0,0,0,0|1,0,2]=4 2371 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,1,0,0,0,0|0,0,2]=3 2372 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,1,0,0,0,0|0,0,2]=3 2373 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,1,0,0,0,0|1,0,2]=4 2374 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,1,0,0,0,0|1,0,2]=4 2375 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,1,0,0,0,0|1,0,2]=4 2376 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,1,0,0,0,0|1,0,2]=4 2377 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,1,0,0,0,0|1,0,2]=4 2378 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,1,0,0,0,0|1,0,2]=4 2379 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,1,0,0,0,0|1,0,2]=4 2380 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,1,0,0,0,0|1,0,2]=4 2381 B9R0.2 CC#CCCOCC(C)C 34a_100000750427_100000210624 [0,1,0,0,0,0|1,0,2]=4 2382 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [0,1,0,0,0,0|0,0,2]=3 2383 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [0,1,0,0,0,0|0,0,2]=3 2384 B9R0.2 CC#CCNCCC(C)C 2230a_100000685387_100000210312 [0,1,0,0,0,0|1,0,2]=4 2385 B9R0.2 CC#CCNCCC(C)C 34a_100000685387_100000210312 [0,1,0,0,0,0|1,0,2]=4 2386 B9R0.2 CC#CCNCCC(C)O 2230a_100000685387_100012276601 [0,1,0,0,0,0|0,0,2]=3 2387 B9R0.2 CC#CCNCCC(C)O 2230a_200000755665_100000748600 [0,1,0,0,0,0|0,0,2]=3 2388 B9R0.2 CC#CCNCCC(C)O 34a_100000685387_100012276601 [0,1,0,0,0,0|0,0,2]=3 2389 B9R0.2 CC#CCOCCC(C)Br 34a_100009893172_100000748600 [0,1,0,0,0,0|1,0,2]=4 2390 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [0,1,0,0,0,0|1,0,2]=4 2391 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [0,1,0,0,0,0|1,0,2]=4 2392 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [0,1,0,0,0,0|1,0,2]=4 2393 B9R0.2 CC#CCOCCC(C)O 34a_100000761923_100012276601 [0,1,0,0,0,0|0,0,2]=3 2394 B9R0.2 CC#CCOCC[C@@H](C)N 34a_100000706166_100000748600 [0,1,0,0,0,0|1,0,2]=4 2395 B9R0.2 CC#CCSCCC(C)C 62a_100000210312_100000748600 [0,1,0,0,0,0|1,0,2]=4 2396 B9R0.2 CC#CCSCCC(C)C 62a_100000748600_100000210312 [0,1,0,0,0,0|1,0,2]=4 2397 B9R0.2 CC#CCSCCC(C)O 62a_100000748600_100012276601 [0,1,0,0,0,0|0,0,2]=3 2398 B9R0.2 CC#CCSCCC(C)O 62a_100012276601_100000748600 [0,1,0,0,0,0|0,0,2]=3 2399 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|0,0,3]=4 2400 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|0,0,2]=3 2401 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|0,0,2]=3 2402 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|0,0,2]=3 2403 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|1,0,2]=4 2406 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|1,0,2]=4 2407 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|1,0,2]=4 2408 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|1,0,2]=4 2409 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|1,0,2]=4 2410 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|1,0,2]=4 2411 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|1,0,2]=4 2412 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|1,0,2]=4 2413 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|1,0,2]=4 2414 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|1,0,2]=4 2415 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|1,0,2]=4 2416 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|1,0,2]=4 2417 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|1,0,2]=4 2418 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|1,0,2]=4 2419 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|1,0,2]=4 2420 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|1,0,2]=4 2421 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|1,0,2]=4 2422 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|1,0,2]=4 2423 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|1,0,2]=4 2424 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|1,0,2]=4 2425 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|1,0,2]=4 2426 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|1,0,2]=4 2427 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|1,0,2]=4 2428 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|1,0,2]=4 2429 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|1,0,2]=4 2430 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|1,0,2]=4 2431 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|1,0,2]=4 2432 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|1,0,2]=4 2433 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|1,0,2]=4 2434 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|1,0,2]=4 2435 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,1,0,0,0,0|2,0,0]=3 2437 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,1,0,0,0,0|2,0,0]=3 2438 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,1,0,0,0,0|2,0,0]=3 2439 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,1,0,0,0,0|2,0,0]=3 2440 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|1,0,0]=2 2441 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|1,0,0]=2 2442 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|1,0,0]=2 2443 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|1,0,0]=2 2444 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|1,0,0]=2 2445 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|1,0,0]=2 2446 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,0,0,0,0|2,0,0]=3 2447 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,0,0,0,0|2,0,0]=3 2448 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|2,0,0]=3 2449 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|2,0,0]=3 2450 B9R0.2 CC(C)CCCNCC#N 2230a_200000737386_100011215382 [0,1,0,0,0,0|2,0,1]=4 2451 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,1,0,0,0,0|2,0,1]=4 2452 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,1,0,0,0,0|2,0,1]=4 2453 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,1,0,0,0,0|2,0,0]=3 2454 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,1,0,0,0,0|2,0,0]=3 2455 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,1,0,0,0,0|2,0,0]=3 2456 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,1,0,0,0,0|2,0,0]=3 2459 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,1,0,0,0,0|2,0,0]=3 2460 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [0,1,0,0,0,0|2,0,1]=4 2461 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,1,0,0,0,0|2,0,1]=4 2463 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,1,0,0,0,0|2,0,0]=3 2464 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,1,0,0,0,0|2,0,0]=3 2465 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,1,0,0,0,0|2,0,0]=3 2466 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,1,0,0,0,0|2,0,0]=3 2468 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,1,0,0,0,0|2,0,0]=3 2469 B9R0.2 CC(C)CCCSCC#N 62a_100011214892_100011215382 [0,1,0,0,0,0|2,0,1]=4 2470 B9R0.2 CC(C)CCCSCC#N 62a_100011215382_100011214892 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,1,0,0,0,0|2,0,1]=4 2472 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,1,0,0,0,0|2,0,1]=4 2473 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,1,0,0,0,0|2,0,0]=3 2474 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,1,0,0,0,0|2,0,0]=3 2475 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,1,0,0,0,0|2,0,0]=3 2476 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,1,0,0,0,0|2,0,0]=3 2477 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,1,0,0,0,0|2,0,0]=3 2478 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,1,0,0,0,0|2,0,0]=3 2479 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,1,0,0,0,0|2,0,0]=3 2480 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,1,0,0,0,0|2,0,0]=3 2481 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,1,0,0,0,0|2,0,1]=4 2482 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,1,0,0,0,0|2,0,0]=3 2483 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,1,0,0,0,0|2,0,0]=3 2484 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,1,0,0,0,0|2,0,0]=3 2485 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,1,0,0,0,0|2,0,0]=3 2486 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,1,0,0,0,0|2,0,0]=3 2487 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,1,0,0,0,0|2,0,0]=3 2488 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,1,0,0,0,0|2,0,0]=3 2489 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,1,0,0,0,0|2,0,0]=3 2490 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,1,0,0,0,0|3,0,0]=4 2491 B9R0.2 CC(C)CCSCCC#N 62a_100000210312_100011215226 [0,1,0,0,0,0|2,0,1]=4 2492 B9R0.2 CC(C)CCSCCC#N 62a_100011215226_100000210312 [0,1,0,0,0,0|2,0,1]=4 2493 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,1,0,0,0,0|2,0,0]=3 2494 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,1,0,0,0,0|2,0,0]=3 2495 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,1,0,0,0,0|2,0,0]=3 2496 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,1,0,0,0,0|2,0,0]=3 2497 B9R0.2 CC(C)CNCCCC#N 2230a_100000210953_100000687738 [0,1,0,0,0,0|2,0,1]=4 2498 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,1,0,0,0,0|2,0,1]=4 2499 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,1,0,0,0,0|2,0,0]=3 2500 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,1,0,0,0,0|2,0,0]=3 2501 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,1,0,0,0,0|2,0,0]=3 2503 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,1,0,0,0,0|2,0,0]=3 2504 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,0]=3 2506 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [0,1,0,0,0,0|3,0,0]=4 2507 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,1,0,0,0,0|2,0,0]=3 2508 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,1,0,0,0,0|2,0,0]=3 2510 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,1,0,0,0,0|2,0,0]=3 2511 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,1,0,0,0,0|2,0,0]=3 2512 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,1,0,0,0,0|2,0,0]=3 2513 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,1,0,0,0,0|2,0,0]=3 2514 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,1,0,0,0,0|2,0,0]=3 2515 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,1,0,0,0,0|2,0,0]=3 2516 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,1,0,0,0,0|2,0,0]=3 2517 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,1,0,0,0,0|2,0,0]=3 2518 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [0,1,0,0,0,0|3,0,0]=4 2519 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [0,1,0,0,0,0|3,0,0]=4 2520 B9R0.2 CC(C)CSCCCC#N 62a_100000210624_100000687738 [0,1,0,0,0,0|2,0,1]=4 2521 B9R0.2 CC(C)CSCCCC#N 62a_100000687738_100000210760 [0,1,0,0,0,0|2,0,1]=4 2522 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,1,0,0,0,0|2,0,1]=4 2523 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,1,0,0,0,0|2,0,1]=4 2524 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,1,0,0,0,0|2,0,0]=3 2525 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,1,0,0,0,0|2,0,0]=3 2526 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,1,0,0,0,0|2,0,0]=3 2527 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,1,0,0,0,0|2,0,0]=3 2528 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,1,0,0,0,0|3,0,0]=4 2529 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.2 CC(C)NCCCCC#N 2230a_100138425928_100000211819 [0,1,0,0,0,0|2,0,1]=4 2531 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,1,0,0,0,0|2,0,1]=4 2532 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [0,1,0,0,0,0|2,0,0]=3 2533 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [0,1,0,0,0,0|2,0,0]=3 2534 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,1,0,0,0,0|2,0,0]=3 2535 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,1,0,0,0,0|2,0,0]=3 2536 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,0]=3 2537 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,1,0,0,0,0|2,0,0]=3 2538 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,1,0,0,0,0|2,0,0]=3 2539 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [0,1,0,0,0,0|3,0,0]=4 2540 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [0,1,0,0,0,0|3,0,0]=4 2541 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,1,0,0,0,0|3,0,0]=4 2542 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,1,0,0,0,0|3,0,0]=4 2543 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,1,0,0,0,0|3,0,0]=4 2544 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,1,0,0,0,0|3,0,0]=4 2545 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,1,0,0,0,0|3,0,0]=4 2546 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,1,0,0,0,0|3,0,0]=4 2547 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,1,0,0,0,0|2,0,0]=3 2548 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,1,0,0,0,0|2,0,0]=3 2549 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,1,0,0,0,0|2,0,0]=3 2550 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,1,0,0,0,0|2,0,0]=3 2551 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,1,0,0,0,0|2,0,0]=3 2552 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,1,0,0,0,0|2,0,0]=3 2553 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,1,0,0,0,0|2,0,0]=3 2554 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,1,0,0,0,0|2,0,0]=3 2555 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|2,0,0]=3 2556 B9R0.2 CC(C)OCCCNCF 34a_100000737246_100015361967 [0,1,0,0,0,0|3,0,0]=4 2557 B9R0.2 CC(C)OCCNCCF 2230a_100000701111_100011217306 [0,1,0,0,0,0|3,0,0]=4 2558 B9R0.2 CC(C)OCCNCCF 34a_100000701111_100011217306 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.2 CC(C)OCCNCCF 34a_100000724931_100000211751 [0,1,0,0,0,0|3,0,0]=4 2560 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [0,1,0,0,0,0|3,0,0]=4 2561 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [0,1,0,0,0,0|3,0,0]=4 2562 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [0,1,0,0,0,0|3,0,0]=4 2563 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [0,1,0,0,0,0|3,0,0]=4 2564 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2565 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [0,1,0,0,0,0|3,0,0]=4 2566 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [0,1,0,0,0,0|3,0,0]=4 2567 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [0,1,0,0,0,0|3,0,0]=4 2568 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [0,1,0,0,0,0|3,0,0]=4 2569 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [0,1,0,0,0,0|3,0,0]=4 2570 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [0,1,0,0,0,0|3,0,0]=4 2571 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [0,1,0,0,0,0|3,0,0]=4 2572 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [0,1,0,0,0,0|3,0,0]=4 2573 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [0,1,0,0,0,0|3,0,0]=4 2574 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [0,1,0,0,0,0|3,0,0]=4 2575 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [0,1,0,0,0,0|3,0,0]=4 2576 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [0,1,0,0,0,0|3,0,0]=4 2577 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,1,0,0,0,0|3,0,0]=4 2578 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,1,0,0,0,0|3,0,0]=4 2579 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,1,0,0,0,0|3,0,0]=4 2580 B9R0.2 CC(C)OCCSCCF 62a_100000211751_100011217306 [0,1,0,0,0,0|3,0,0]=4 2581 B9R0.2 CC(C)OCCSCCF 62a_100011217306_100000211751 [0,1,0,0,0,0|3,0,0]=4 2582 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.2 CC(C)OCNCCCF 2230a_100015189416_100000709892 [0,1,0,0,0,0|3,0,0]=4 2585 B9R0.2 CC(C)OCNCCCF 34a_100015189416_100000709892 [0,1,0,0,0,0|3,0,0]=4 2586 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [0,1,0,0,0,0|3,0,0]=4 2587 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [0,1,0,0,0,0|3,0,0]=4 2588 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [0,1,0,0,0,0|3,0,0]=4 2589 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [0,1,0,0,0,0|3,0,0]=4 2590 B9R0.2 CC(C)OCSCCCF 62a_100000709892_100011934791 [0,1,0,0,0,0|3,0,0]=4 2591 B9R0.2 CC(C)OCSCCCF 62a_100011934791_100000709892 [0,1,0,0,0,0|3,0,0]=4 2592 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,1,0,0,0,0|3,0,0]=4 2593 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,1,0,0,0,0|3,0,0]=4 2594 B9R0.2 CC(C)SCCCCC#N 62a_100000210206_100000211819 [0,1,0,0,0,0|2,0,1]=4 2595 B9R0.2 CC(C)SCCCCC#N 62a_100011219923_100000210206 [0,1,0,0,0,0|2,0,1]=4 2596 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,1,0,0,0,0|2,0,1]=4 2597 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,1,0,0,0,0|2,0,1]=4 2598 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [0,1,0,0,0,0|2,0,0]=3 2599 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [0,1,0,0,0,0|2,0,0]=3 2600 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,1,0,0,0,0|2,0,0]=3 2601 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,1,0,0,0,0|2,0,0]=3 2602 B9R0.2 CC(C)SCCNCCF 2230a_100000731138_100011217306 [0,1,0,0,0,0|3,0,0]=4 2603 B9R0.2 CC(C)SCCNCCF 34a_100000724931_100000730970 [0,1,0,0,0,0|3,0,0]=4 2604 B9R0.2 CC(C)SCCNCCF 34a_100000731138_100011217306 [0,1,0,0,0,0|3,0,0]=4 2605 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [0,1,0,0,0,0|3,0,0]=4 2606 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [0,1,0,0,0,0|3,0,0]=4 2607 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [0,1,0,0,0,0|3,0,0]=4 2608 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [0,1,0,0,0,0|3,0,0]=4 2609 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2610 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [0,1,0,0,0,0|3,0,0]=4 2611 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [0,1,0,0,0,0|3,0,0]=4 2612 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [0,1,0,0,0,0|3,0,0]=4 2613 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,1,0,0,0,0|3,0,0]=4 2614 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,1,0,0,0,0|3,0,0]=4 2615 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,1,0,0,0,0|3,0,0]=4 2616 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,1,0,0,0,0|3,0,0]=4 2617 B9R0.2 CC(C)SCCSCCF 62a_100000730970_100011217306 [0,1,0,0,0,0|3,0,0]=4 2618 B9R0.2 CC(C)SCCSCCF 62a_100011217306_100000730970 [0,1,0,0,0,0|3,0,0]=4 2619 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2620 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,1,0,0,0,0|3,0,0]=4 2621 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,1,0,0,0,0|2,0,0]=3 2622 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,1,0,0,0,0|2,0,0]=3 2623 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|1,0,0]=2 2624 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|1,0,0]=2 2625 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|1,0,0]=2 2626 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|1,0,0]=2 2627 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|1,0,0]=2 2628 B9R0.2 CC(O)CCCSCC#N 62a_100011215382_200000718107 [0,1,0,0,0,0|1,0,1]=3 2629 B9R0.2 CC(O)CCCSCC#N 62a_200000718107_100011215382 [0,1,0,0,0,0|1,0,1]=3 2630 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,1,0,0,0,0|1,0,1]=3 2631 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,1,0,0,0,0|1,0,1]=3 2632 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|1,0,0]=2 2633 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|1,0,0]=2 2634 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|1,0,0]=2 2635 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|1,0,0]=2 2636 B9R0.2 CC(O)CCNCCC#N 2230a_200000755665_100011215226 [0,1,0,0,0,0|1,0,1]=3 2637 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,0,0,0,0|1,0,0]=2 2638 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,0,0,0,0|1,0,0]=2 2639 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,0,0,0,0|1,0,0]=2 2640 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|1,0,0]=2 2641 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|1,0,0]=2 2642 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|1,0,0]=2 2643 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|1,0,0]=2 2644 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|1,0,0]=2 2645 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,1,0,0,0,0|2,0,0]=3 2646 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [0,1,0,0,0,0|1,0,1]=3 2647 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [0,1,0,0,0,0|1,0,1]=3 2648 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,1,0,0,0,0|1,0,0]=2 2649 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,1,0,0,0,0|1,0,0]=2 2650 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|1,0,0]=2 2651 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|1,0,0]=2 2652 B9R0.2 CC(O)CCSCSC#N 62a_100000211825_100012276601 [0,1,0,0,0,0|2,0,1]=4 2653 B9R0.2 CC(O)CCSCSC#N 62a_100012276601_100000211825 [0,1,0,0,0,0|2,0,1]=4 2654 B9R0.2 CC(O)CNCC#CCO 2230a_100000210904_200000047223 [0,1,0,0,0,0|1,0,2]=4 2655 B9R0.2 CC(O)CNCC#CCO 34a_100000210904_200000047223 [0,1,0,0,0,0|1,0,2]=4 2656 B9R0.2 CC(O)CNCCCC#N 2230a_100000210904_100000687738 [0,1,0,0,0,0|1,0,1]=3 2657 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,1,0,0,0,0|1,0,1]=3 2658 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|1,0,0]=2 2659 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|1,0,0]=2 2660 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|1,0,0]=2 2661 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|1,0,0]=2 2662 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|1,0,0]=2 2663 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,0]=2 2664 B9R0.2 CC(O)COCC#CCCl 34a_200000047223_100011218427 [0,1,0,0,0,0|1,0,2]=4 2665 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|1,0,0]=2 2666 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|1,0,0]=2 2667 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|1,0,0]=2 2668 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|1,0,0]=2 2669 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|1,0,0]=2 2670 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|1,0,0]=2 2671 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,0]=2 2672 B9R0.2 CC(O)CSCC#CCO 62a_100011218427_200000047223 [0,1,0,0,0,0|1,0,2]=4 2673 B9R0.2 CC(O)CSCC#CCO 62a_200000047223_100011218427 [0,1,0,0,0,0|1,0,2]=4 2674 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [0,1,0,0,0,0|1,0,1]=3 2675 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [0,1,0,0,0,0|1,0,1]=3 2676 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,1,0,0,0,0|1,0,1]=3 2677 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,1,0,0,0,0|1,0,1]=3 2678 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|1,0,0]=2 2679 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|1,0,0]=2 2680 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|1,0,0]=2 2681 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|1,0,0]=2 2682 B9R0.2 CC(O)CSCCSC#N 62a_100000034367_100011218427 [0,1,0,0,0,0|2,0,1]=4 2683 B9R0.2 CC(O)CSCCSC#N 62a_100011218427_100000034367 [0,1,0,0,0,0|2,0,1]=4 2684 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [0,1,0,0,0,0|1,0,2]=4 2685 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [0,1,0,0,0,0|1,0,2]=4 2686 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,1,0,0,0,0|1,0,2]=4 2687 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,1,0,0,0,0|1,0,2]=4 2688 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,1,0,0,0,0|1,0,2]=4 2689 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,1,0,0,0,0|1,0,2]=4 2690 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,1,0,0,0,0|1,0,2]=4 2691 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [0,1,0,0,0,0|1,0,2]=4 2692 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [0,1,0,0,0,0|1,0,2]=4 2693 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,1,0,0,0,0|0,0,2]=3 2694 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,1,0,0,0,0|0,0,2]=3 2695 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [0,1,0,0,0,0|1,0,2]=4 2696 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [0,1,0,0,0,0|1,0,2]=4 2697 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [0,1,0,0,0,0|1,0,2]=4 2698 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [0,1,0,0,0,0|1,0,2]=4 2699 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,1,0,0,0,0|0,0,2]=3 2700 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [0,1,0,0,0,0|1,0,2]=4 2701 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [0,1,0,0,0,0|1,0,2]=4 2702 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,1,0,0,0,0|0,0,2]=3 2703 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,1,0,0,0,0|1,0,2]=4 2704 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,1,0,0,0,0|1,0,2]=4 2705 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,1,0,0,0,0|0,0,2]=3 2706 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,1,0,0,0,0|0,0,2]=3 2707 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,1,0,0,0,0|0,0,2]=3 2708 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,1,0,0,0,0|0,0,2]=3 2709 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,1,0,0,0,0|1,0,2]=4 2710 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,1,0,0,0,0|0,0,2]=3 2711 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,1,0,0,0,0|1,0,2]=4 2712 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,1,0,0,0,0|1,0,2]=4 2713 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,1,0,0,0,0|1,0,2]=4 2714 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,1,0,0,0,0|1,0,2]=4 2715 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,1,0,0,0,0|1,0,2]=4 2716 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,1,0,0,0,0|1,0,2]=4 2717 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,1,0,0,0,0|0,0,2]=3 2718 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,1,0,0,0,0|0,0,2]=3 2719 B9R0.2 CCC#CCCOC(C)C 34a_100000036655_100000210206 [0,1,0,0,0,0|1,0,2]=4 2720 B9R0.2 CCC#CCCOC(C)C 7a_100000036655_100000210206 [0,1,0,0,0,0|1,0,2]=4 2721 B9R0.2 CCC#CCNCC(C)C 2230a_100000210953_100009813939 [0,1,0,0,0,0|1,0,2]=4 2722 B9R0.2 CCC#CCNCC(C)C 34a_100000210953_100009813939 [0,1,0,0,0,0|1,0,2]=4 2723 B9R0.2 CCC#CCNCC(C)O 2230a_100000210904_100009813939 [0,1,0,0,0,0|0,0,2]=3 2724 B9R0.2 CCC#CCNCC(C)O 34a_100000210904_100009813939 [0,1,0,0,0,0|0,0,2]=3 2725 B9R0.2 CCC#CCOCC(C)Br 34a_100012180447_100009813939 [0,1,0,0,0,0|1,0,2]=4 2726 B9R0.2 CCC#CCOCC(C)C 34a_100000032950_100000210624 [0,1,0,0,0,0|1,0,2]=4 2727 B9R0.2 CCC#CCOCC(C)C 34a_100000210257_100009813939 [0,1,0,0,0,0|1,0,2]=4 2728 B9R0.2 CCC#CCOCC(C)F 34a_100015925927_100009813939 [0,1,0,0,0,0|1,0,2]=4 2729 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [0,1,0,0,0,0|0,0,2]=3 2730 B9R0.2 CCC#CCOC[C@@H](C)Cl 34a_100016084084_100009813939 [0,1,0,0,0,0|1,0,2]=4 2731 B9R0.2 CCC#CCOC[C@@H](C)N 34a_100000737577_100009813939 [0,1,0,0,0,0|1,0,2]=4 2732 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [0,1,0,0,0,0|0,0,2]=3 2733 B9R0.2 CCC#CCSCC(C)C 62a_100000210624_100009813939 [0,1,0,0,0,0|1,0,2]=4 2734 B9R0.2 CCC#CCSCC(C)C 62a_100009813939_100000210760 [0,1,0,0,0,0|1,0,2]=4 2735 B9R0.2 CCC#CCSCC(C)O 62a_100009813939_100011218427 [0,1,0,0,0,0|0,0,2]=3 2736 B9R0.2 CCC#CCSCC(C)O 62a_100011218427_100009813939 [0,1,0,0,0,0|0,0,2]=3 2737 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009813939_100009817552 [0,1,0,0,0,0|0,0,2]=3 2738 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009817552_100009813939 [0,1,0,0,0,0|0,0,2]=3 2739 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,1,0,0,0,0|1,0,2]=4 2740 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,1,0,0,0,0|1,0,2]=4 2741 B9R0.2 CCCC#CCOC(C)C 34a_100000034806_100000210206 [0,1,0,0,0,0|1,0,2]=4 2742 B9R0.2 CCCC#CCOC(C)C 7a_100000034806_100000210206 [0,1,0,0,0,0|1,0,2]=4 2743 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|0,0,3]=4 2744 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|0,0,3]=4 2745 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [0,1,0,0,0,0|1,0,1]=3 2746 B9R0.2 CCCCC=NNC(C)C 4a_100000741168_100000210104 [0,1,0,0,0,0|2,0,1]=4 2747 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|0,0,3]=4 2748 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|0,0,3]=4 2749 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|0,0,3]=4 2750 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|0,0,3]=4 2751 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|0,0,2]=3 2752 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|0,0,2]=3 2753 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|0,0,2]=3 2754 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2755 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2756 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2757 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|2,0,0]=3 2758 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2759 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2760 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|0,0,2]=3 2761 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|0,0,2]=3 2762 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|0,0,2]=3 2763 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|0,0,2]=3 2764 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|1,0,0]=2 2765 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|1,0,0]=2 2766 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|1,0,0]=2 2767 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|1,0,0]=2 2768 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|1,0,0]=2 2769 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|1,0,0]=2 2770 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|1,0,0]=2 2771 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|1,0,0]=2 2772 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|1,0,2]=4 2773 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|1,0,2]=4 2774 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,1]=3 2775 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,1,0,0,0,0|1,0,0]=2 2776 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,1,0,0,0,0|1,0,0]=2 2777 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,1,0,0,0,0|1,0,0]=2 2778 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,1,0,0,0,0|1,0,0]=2 2779 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|0,0,0]=1 2780 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|0,0,0]=1 2781 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|0,0,0]=1 2782 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,1,0,0,0,0|2,0,0]=3 2783 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,1,0,0,0,0|2,0,0]=3 2784 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|0,0,0]=1 2785 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|1,0,2]=4 2786 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|0,0,2]=3 2787 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 2788 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 2789 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,2]=4 2790 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|1,0,0]=2 2791 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|1,0,0]=2 2792 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|1,0,0]=2 2793 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|1,0,0]=2 2794 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|1,0,0]=2 2795 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|0,0,0]=1 2796 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|0,0,0]=1 2797 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,1,0,0,0,0|2,0,0]=3 2798 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,1,0,0,0,0|2,0,0]=3 2799 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,1,0,0,0,0|2,0,0]=3 2800 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|1,0,0]=2 2801 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|1,0,0]=2 2802 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|0,0,0]=1 2803 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|0,0,0]=1 2804 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|2,0,1]=4 2805 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|1,0,2]=4 2806 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|1,0,2]=4 2807 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|1,0,2]=4 2808 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|1,0,2]=4 2809 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,1,0,0,0,0|1,0,0]=2 2810 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,1,0,0,0,0|1,0,0]=2 2811 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|0,0,0]=1 2812 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|0,0,0]=1 2813 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,1,0,0,0,0|2,0,0]=3 2814 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,1,0,0,0,0|2,0,0]=3 2815 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|0,0,0]=1 2816 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|0,0,0]=1 2817 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|2,0,1]=4 2818 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|1,0,2]=4 2819 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|1,0,2]=4 2820 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|1,0,2]=4 2821 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|0,0,2]=3 2822 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|1,0,2]=4 2823 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|1,0,2]=4 2824 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,1,0,0,0,0|1,0,0]=2 2825 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,1,0,0,0,0|1,0,0]=2 2826 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,1,0,0,0,0|1,0,0]=2 2827 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|0,0,0]=1 2828 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|0,0,0]=1 2829 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|0,0,0]=1 2830 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,1,0,0,0,0|2,0,0]=3 2831 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,1,0,0,0,0|2,0,0]=3 2832 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [0,1,0,0,0,0|2,0,1]=4 2833 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|2,0,1]=4 2834 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|1,0,2]=4 2835 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|1,0,2]=4 2836 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|1,0,2]=4 2837 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|0,0,2]=3 2838 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|0,0,2]=3 2839 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|0,0,2]=3 2840 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|0,0,2]=3 2841 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|1,0,2]=4 2842 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|1,0,2]=4 2843 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|1,0,2]=4 2844 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|1,0,2]=4 2845 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,1,0,0,0,0|1,0,0]=2 2846 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,1,0,0,0,0|1,0,0]=2 2847 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,1,0,0,0,0|1,0,0]=2 2848 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,1,0,0,0,0|1,0,0]=2 2849 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,1,0,0,0,0|1,0,0]=2 2850 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|0,0,0]=1 2851 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|0,0,0]=1 2852 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,1,0,0,0,0|2,0,0]=3 2853 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,1,0,0,0,0|2,0,0]=3 2854 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,1,0,0,0,0|2,0,0]=3 2855 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,1,0,0,0,0|2,0,0]=3 2856 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,1,0,0,0,0|1,0,0]=2 2857 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,1,0,0,0,0|2,0,0]=3 2858 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,1,0,0,0,0|2,0,0]=3 2859 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|1,0,2]=4 2860 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,1,0,0,0,0|2,0,0]=3 2861 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,1,0,0,0,0|2,0,0]=3 2862 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,1,0,0,0,0|2,0,0]=3 2863 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,1,0,0,0,0|2,0,0]=3 2864 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|1,0,2]=4 2865 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|1,0,2]=4 2866 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|0,0,2]=3 2867 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|0,0,2]=3 2868 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|1,0,2]=4 2869 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|1,0,2]=4 2870 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,1,0,0,0,0|1,0,0]=2 2871 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,1,0,0,0,0|1,0,0]=2 2872 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|0,0,0]=1 2873 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|0,0,0]=1 2874 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,1,0,0,0,0|2,0,0]=3 2875 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|1,0,2]=4 2876 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|1,0,2]=4 2877 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,1,0,0,0,0|2,0,0]=3 2878 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,1,0,0,0,0|2,0,0]=3 2879 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|1,0,2]=4 2880 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,1,0,0,0,0|1,0,0]=2 2881 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,1,0,0,0,0|1,0,0]=2 2882 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|1,0,1]=3 2883 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|1,0,2]=4 2884 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,1,0,0,0,0|2,0,0]=3 2885 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,1,0,0,0,0|2,0,0]=3 2886 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [0,1,0,0,0,0|2,0,0]=3 2887 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [0,1,0,0,0,0|2,0,0]=3 2888 B9R0.2 CCCNN=CCC(C)C 4a_100000740057_100000185833 [0,1,0,0,0,0|2,0,1]=4 2889 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|1,0,2]=4 2890 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|0,0,2]=3 2891 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|0,0,2]=3 2892 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|0,0,2]=3 2893 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|1,0,2]=4 2894 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,1,0,0,0,0|1,0,0]=2 2895 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,1,0,0,0,0|1,0,0]=2 2896 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,1,0,0,0,0|1,0,0]=2 2897 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|0,0,0]=1 2898 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|2,0,1]=4 2899 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|1,0,2]=4 2900 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|1,0,2]=4 2901 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|1,0,2]=4 2902 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|1,0,2]=4 2903 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,1,0,0,0,0|2,0,0]=3 2904 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,1,0,0,0,0|2,0,0]=3 2905 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,1,0,0,0,0|2,0,0]=3 2906 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,1,0,0,0,0|2,0,0]=3 2907 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,1,0,0,0,0|2,0,0]=3 2908 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|1,0,2]=4 2909 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,1,0,0,0,0|2,0,0]=3 2910 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,1,0,0,0,0|2,0,0]=3 2911 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,1,0,0,0,0|2,0,0]=3 2912 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,1,0,0,0,0|2,0,0]=3 2913 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,1,0,0,0,0|2,0,0]=3 2914 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,1,0,0,0,0|2,0,0]=3 2915 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,1,0,0,0,0|2,0,0]=3 2916 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,1,0,0,0,0|2,0,0]=3 2917 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,1,0,0,0,0|2,0,0]=3 2918 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,1,0,0,0,0|2,0,0]=3 2919 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,1,0,0,0,0|2,0,0]=3 2920 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|1,0,2]=4 2921 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|1,0,2]=4 2922 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|0,0,2]=3 2923 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|0,0,2]=3 2924 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|1,0,2]=4 2925 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|1,0,2]=4 2926 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,1,0,0,0,0|1,0,0]=2 2927 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,1,0,0,0,0|1,0,0]=2 2928 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|0,0,0]=1 2929 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|0,0,0]=1 2930 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,1,0,0,0,0|2,0,0]=3 2931 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|1,0,2]=4 2932 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|1,0,2]=4 2933 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|1,0,2]=4 2934 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|1,0,2]=4 2935 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|1,0,2]=4 2936 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [0,1,0,0,0,0|2,0,0]=3 2937 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|1,0,2]=4 2938 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|1,0,2]=4 2939 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,1,0,0,0,0|2,0,0]=3 2940 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,1,0,0,0,0|2,0,0]=3 2941 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,1,0,0,0,0|2,0,0]=3 2942 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,1,0,0,0,0|2,0,0]=3 2943 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [0,1,0,0,0,0|2,0,0]=3 2944 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [0,1,0,0,0,0|2,0,0]=3 2945 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,0,0,0,0|2,0,0]=3 2946 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|1,0,2]=4 2947 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|1,0,0]=2 2948 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|1,0,2]=4 2949 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|1,1,1]=4 2950 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,1,0,0,0,0|2,0,0]=3 2951 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,1,0,0,0,0|2,0,0]=3 2952 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|1,0,2]=4 2953 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|2,0,1]=4 2954 B9R0.2 CCNCCOCC(F)F 2230a_100015525214_200012177212 [0,1,0,0,0,0|3,0,0]=4 2955 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,0,0,0,0|2,0,0]=3 2956 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|0,0,2]=3 2957 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|1,0,2]=4 2958 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|1,0,2]=4 2959 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|1,0,0]=2 2960 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|1,0,0]=2 2961 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|1,0,0]=2 2962 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|2,0,1]=4 2963 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|2,0,1]=4 2964 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|1,0,2]=4 2965 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|1,0,2]=4 2966 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|1,0,2]=4 2967 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|1,0,2]=4 2968 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|1,0,2]=4 2969 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,1,0,0,0,0|2,0,0]=3 2970 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,1,0,0,0,0|2,0,0]=3 2971 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,1,0,0,0,0|2,0,0]=3 2972 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,1,0,0,0,0|2,0,0]=3 2973 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,1,0,0,0,0|2,0,0]=3 2974 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|1,0,2]=4 2975 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|1,1,1]=4 2976 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,1,0,0,0,0|2,0,0]=3 2977 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,1,0,0,0,0|2,0,0]=3 2978 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,1,0,0,0,0|2,0,0]=3 2979 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|1,0,2]=4 2980 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,1,0,0,0,0|2,0,0]=3 2981 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,1,0,0,0,0|2,0,0]=3 2982 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|2,0,1]=4 2983 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,1,0,0,0,0|2,0,0]=3 2984 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,1,0,0,0,0|2,0,0]=3 2985 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,1,0,0,0,0|2,0,0]=3 2986 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,1,0,0,0,0|2,0,0]=3 2987 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,1,0,0,0,0|2,0,0]=3 2988 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,1,0,0,0,0|2,0,0]=3 2989 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,1,0,0,0,0|1,0,0]=2 2990 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,1,0,0,0,0|1,0,0]=2 2991 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,1,0,0,0,0|1,0,0]=2 2992 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,1,0,0,0,0|1,0,0]=2 2993 B9R0.2 CCOCCNCC(F)F 2230a_102516460346_100011934356 [0,1,0,0,0,0|3,0,0]=4 2994 B9R0.2 CCOCCNCC(F)F 34a_100000765723_100000210147 [0,1,0,0,0,0|3,0,0]=4 2995 B9R0.2 CCOCCNCC(F)F 34a_102516460346_100011934356 [0,1,0,0,0,0|3,0,0]=4 2996 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,1,0,0,0,0|1,0,0]=2 2997 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,1,0,0,0,0|1,0,0]=2 2998 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|1,0,2]=4 2999 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,1,0,0,0,0|2,0,0]=3 3000 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,1,0,0,0,0|2,0,0]=3 3001 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,1,0,0,0,0|2,0,0]=3 3002 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,1,0,0,0,0|2,0,0]=3 3003 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,1,0,0,0,0|2,0,0]=3 3004 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,1,0,0,0,0|2,0,0]=3 3005 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,1,0,0,0,0|2,0,0]=3 3006 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,1,0,0,0,0|1,0,0]=2 3007 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,1,0,0,0,0|1,0,0]=2 3008 B9R0.2 CCOCCOCC(F)F 34a_100000210136_100011934356 [0,1,0,0,0,0|3,0,0]=4 3009 B9R0.2 CCOCCOCC(F)F 34a_100000704375_100000210202 [0,1,0,0,0,0|3,0,0]=4 3010 B9R0.2 CCOCCOCC(F)F 34a_100000743014_100000210147 [0,1,0,0,0,0|3,0,0]=4 3011 B9R0.2 CCOCCOCC(F)F 34a_100121572206_200012177212 [0,1,0,0,0,0|3,0,0]=4 3012 B9R0.2 CCOCCOCC(F)F 7a_100000210136_100011934356 [0,1,0,0,0,0|3,0,0]=4 3013 B9R0.2 CCOCCOCC(F)F 7a_100000704375_100000210202 [0,1,0,0,0,0|3,0,0]=4 3014 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,1,0,0,0,0|2,0,0]=3 3015 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,1,0,0,0,0|2,0,0]=3 3016 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,1,0,0,0,0|1,0,0]=2 3017 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,1,0,0,0,0|1,0,0]=2 3018 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,1,0,0,0,0|2,0,0]=3 3019 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,1,0,0,0,0|2,0,0]=3 3020 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,1,0,0,0,0|2,0,0]=3 3021 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,1,0,0,0,0|2,0,0]=3 3022 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,1,0,0,0,0|1,0,0]=2 3023 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,1,0,0,0,0|1,0,0]=2 3024 B9R0.2 CCOCCSCC(F)F 62a_100000210147_100011934356 [0,1,0,0,0,0|3,0,0]=4 3025 B9R0.2 CCOCCSCC(F)F 62a_100011934356_100011215890 [0,1,0,0,0,0|3,0,0]=4 3026 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,1,0,0,0,0|1,0,0]=2 3027 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,1,0,0,0,0|1,0,0]=2 3028 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|1,0,2]=4 3029 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|1,0,2]=4 3030 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,1,0,0,0,0|2,0,0]=3 3031 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,1,0,0,0,0|2,0,0]=3 3032 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,1,0,0,0,0|1,0,0]=2 3033 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,1,0,0,0,0|1,0,0]=2 3034 B9R0.2 CCOCSCCN(C)C 62a_100000739092_100000755713 [0,1,0,0,0,0|3,0,0]=4 3035 B9R0.2 CCOCSCOC(C)C 62a_100000709892_100000739092 [0,1,0,0,0,0|3,0,0]=4 3036 B9R0.2 CCOCSCOC(C)C 62a_100000739092_100000709892 [0,1,0,0,0,0|3,0,0]=4 3037 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,0,0,0,0|2,0,0]=3 3038 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,0,0,0,0|2,0,0]=3 3039 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|0,0,2]=3 3040 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|0,0,2]=3 3041 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|1,0,0]=2 3042 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|1,0,0]=2 3043 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,1,0,0,0,0|2,0,0]=3 3044 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|1,0,2]=4 3045 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|1,0,2]=4 3046 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|1,1,1]=4 3047 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|1,1,1]=4 3048 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,1,0,0,0,0|2,0,0]=3 3049 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,1,0,0,0,0|2,0,0]=3 3050 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|1,0,2]=4 3051 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|1,0,2]=4 3052 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|2,0,1]=4 3053 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [0,1,0,0,0,0|2,0,0]=3 3054 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [0,1,0,0,0,0|2,0,0]=3 3055 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [0,1,0,0,0,0|2,0,0]=3 3056 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [0,1,0,0,0,0|2,0,0]=3 3057 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,1,0,0,0,0|1,0,0]=2 3058 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,1,0,0,0,0|1,0,0]=2 3059 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,1,0,0,0,0|1,0,0]=2 3060 B9R0.2 CCSCCNCC(F)F 2230a_100000106463_100011934356 [0,1,0,0,0,0|3,0,0]=4 3061 B9R0.2 CCSCCNCC(F)F 34a_100000765723_100000757381 [0,1,0,0,0,0|3,0,0]=4 3062 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,1,0,0,0,0|1,0,0]=2 3063 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|1,0,2]=4 3064 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [0,1,0,0,0,0|2,0,0]=3 3065 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [0,1,0,0,0,0|2,0,0]=3 3066 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [0,1,0,0,0,0|2,0,0]=3 3067 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [0,1,0,0,0,0|2,0,0]=3 3068 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [0,1,0,0,0,0|2,0,0]=3 3069 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,1,0,0,0,0|1,0,0]=2 3070 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,1,0,0,0,0|1,0,0]=2 3071 B9R0.2 CCSCCOCC(F)F 34a_100000212035_100011934356 [0,1,0,0,0,0|3,0,0]=4 3072 B9R0.2 CCSCCOCC(F)F 34a_100000743014_100000757381 [0,1,0,0,0,0|3,0,0]=4 3073 B9R0.2 CCSCCOCC(F)F 62a_100000210202_200012177212 [0,1,0,0,0,0|3,0,0]=4 3074 B9R0.2 CCSCCOCC(F)F 62a_200012177212_100000210202 [0,1,0,0,0,0|3,0,0]=4 3075 B9R0.2 CCSCCOCC(F)F 7a_100000212035_100011934356 [0,1,0,0,0,0|3,0,0]=4 3076 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [0,1,0,0,0,0|2,0,0]=3 3077 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [0,1,0,0,0,0|2,0,0]=3 3078 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,1,0,0,0,0|1,0,0]=2 3079 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,1,0,0,0,0|1,0,0]=2 3080 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [0,1,0,0,0,0|2,0,0]=3 3081 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [0,1,0,0,0,0|2,0,0]=3 3082 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,1,0,0,0,0|1,0,0]=2 3083 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,1,0,0,0,0|1,0,0]=2 3084 B9R0.2 CCSCCSCC(F)F 62a_100000757381_100011934356 [0,1,0,0,0,0|3,0,0]=4 3085 B9R0.2 CCSCCSCC(F)F 62a_100011934356_100000757381 [0,1,0,0,0,0|3,0,0]=4 3086 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,1,0,0,0,0|1,0,0]=2 3087 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,1,0,0,0,0|1,0,0]=2 3088 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 3089 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,1,0,0,0,0|2,0,1]=4 3090 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,1,0,0,0,0|2,0,1]=4 3091 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,1,0,0,0,0|2,0,1]=4 3092 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,1,0,0,0,0|2,0,0]=3 3093 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,1,0,0,0,0|2,0,0]=3 3094 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,1,0,0,0,0|2,0,0]=3 3095 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,1,0,0,0,0|2,0,0]=3 3096 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [0,1,0,0,0,0|3,0,0]=4 3097 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [0,1,0,0,0,0|3,0,0]=4 3098 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,1,0,0,0,0|3,0,0]=4 3099 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [0,1,0,0,0,0|3,0,0]=4 3100 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,1,0,0,0,0|3,0,0]=4 3101 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,0,0,0,0|2,0,0]=3 3102 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,0,0,0,0|2,0,0]=3 3103 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,0,0,0,0|2,0,0]=3 3104 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,2]=4 3105 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,2]=4 3106 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,2]=4 3107 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|1,0,0]=2 3108 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|1,0,0]=2 3109 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|1,0,0]=2 3110 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|1,0,0]=2 3111 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|1,0,0]=2 3112 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|1,0,2]=4 3113 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|1,0,2]=4 3114 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|1,0,2]=4 3115 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|1,0,2]=4 3116 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|1,0,2]=4 3117 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|1,0,2]=4 3118 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|1,0,2]=4 3119 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,1,0,0,0,0|2,0,0]=3 3120 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,1,0,0,0,0|2,0,0]=3 3121 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,1,0,0,0,0|2,0,0]=3 3122 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|1,0,0]=2 3123 B9R0.2 CNCCCOCC(F)F 34a_100000213112_100011934356 [0,1,0,0,0,0|3,0,0]=4 3124 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|1,0,0]=2 3125 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|2,0,0]=3 3126 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|0,0,2]=3 3127 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|1,0,2]=4 3128 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|1,0,2]=4 3129 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|1,0,2]=4 3130 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|0,0,2]=3 3131 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|1,0,2]=4 3132 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|1,0,0]=2 3133 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|1,0,0]=2 3134 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|1,0,0]=2 3135 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,1,0,0,0,0|2,0,0]=3 3136 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,1,0,0,0,0|2,0,0]=3 3137 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,1,0,0,0,0|2,0,0]=3 3138 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|1,0,2]=4 3139 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|1,0,2]=4 3140 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|1,0,2]=4 3141 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,1,0,0,0,0|2,0,0]=3 3142 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,1,0,0,0,0|2,0,0]=3 3143 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|1,0,2]=4 3144 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,1,0,0,0,0|2,0,0]=3 3145 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,1,0,0,0,0|2,0,0]=3 3146 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|2,0,1]=4 3147 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,1,0,0,0,0|2,0,0]=3 3148 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,1,0,0,0,0|2,0,0]=3 3149 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,1,0,0,0,0|2,0,0]=3 3150 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,1,0,0,0,0|2,0,0]=3 3151 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|1,0,0]=2 3152 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|1,0,0]=2 3153 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|1,0,0]=2 3154 B9R0.2 COCCCNCC(F)F 34a_100000765723_100000740836 [0,1,0,0,0,0|3,0,0]=4 3155 B9R0.2 COCCCNCC(F)F 34a_100150723488_100011934356 [0,1,0,0,0,0|3,0,0]=4 3156 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|1,0,0]=2 3157 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|1,0,2]=4 3158 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,1,0,0,0,0|2,0,0]=3 3159 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,1,0,0,0,0|2,0,0]=3 3160 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,1,0,0,0,0|2,0,0]=3 3161 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,1,0,0,0,0|2,0,0]=3 3162 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|1,0,0]=2 3163 B9R0.2 COCCCOCC(F)F 34a_100000740835_100011934356 [0,1,0,0,0,0|3,0,0]=4 3164 B9R0.2 COCCCOCC(F)F 34a_100000743014_100000740836 [0,1,0,0,0,0|3,0,0]=4 3165 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,1,0,0,0,0|2,0,0]=3 3166 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,1,0,0,0,0|2,0,0]=3 3167 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|1,0,0]=2 3168 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,1,0,0,0,0|2,0,0]=3 3169 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,1,0,0,0,0|2,0,0]=3 3170 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|1,0,0]=2 3171 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|1,0,0]=2 3172 B9R0.2 COCCCSCC(F)F 62a_100000709357_100011934356 [0,1,0,0,0,0|3,0,0]=4 3173 B9R0.2 COCCCSCC(F)F 62a_100011934356_100000709357 [0,1,0,0,0,0|3,0,0]=4 3174 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|1,0,0]=2 3175 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|1,0,0]=2 3176 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,1,0,0,0,0|2,0,0]=3 3177 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,1,0,0,0,0|2,0,0]=3 3178 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,0,0,0,0|1,0,0]=2 3179 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,0,0,0,0|1,0,0]=2 3180 B9R0.2 COCCNCOC(C)C 2230a_100000209980_100000709892 [0,1,0,0,0,0|3,0,0]=4 3181 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|1,0,2]=4 3182 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|1,0,2]=4 3183 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|1,0,2]=4 3184 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|1,0,2]=4 3185 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|1,0,2]=4 3186 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,1,0,0,0,0|2,0,0]=3 3187 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,1,0,0,0,0|2,0,0]=3 3188 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,1,0,0,0,0|2,0,0]=3 3189 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,1,0,0,0,0|2,0,0]=3 3190 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,1,0,0,0,0|1,0,0]=2 3191 B9R0.2 COCCOCCC(F)F 34a_100103093639_100011201679 [0,1,0,0,0,0|3,0,0]=4 3192 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [0,1,0,0,0,0|3,0,0]=4 3193 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [0,1,0,0,0,0|3,0,0]=4 3194 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,1,0,0,0,0|2,0,0]=3 3195 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [0,1,0,0,0,0|3,0,0]=4 3196 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [0,1,0,0,0,0|3,0,0]=4 3197 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [0,1,0,0,0,0|3,0,0]=4 3198 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [0,1,0,0,0,0|3,0,0]=4 3199 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|1,0,2]=4 3200 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|1,0,2]=4 3201 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,1,0,0,0,0|2,0,0]=3 3202 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,1,0,0,0,0|2,0,0]=3 3203 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,1,0,0,0,0|1,0,0]=2 3204 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,1,0,0,0,0|1,0,0]=2 3205 B9R0.2 COCCSCCN(C)C 62a_100000233755_100000755713 [0,1,0,0,0,0|3,0,0]=4 3206 B9R0.2 COCCSCOC(C)C 62a_100000233755_100000709892 [0,1,0,0,0,0|3,0,0]=4 3207 B9R0.2 COCCSCOC(C)C 62a_100000709892_100000233755 [0,1,0,0,0,0|3,0,0]=4 3208 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,1,0,0,0,0|2,0,0]=3 3209 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,1,0,0,0,0|2,0,1]=4 3210 B9R0.2 COCNCCOC(C)C 2230a_100000701111_100000766300 [0,1,0,0,0,0|3,0,0]=4 3211 B9R0.2 COCNCCSC(C)C 2230a_100000731138_100000766300 [0,1,0,0,0,0|3,0,0]=4 3212 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|1,0,2]=4 3213 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|1,0,2]=4 3214 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,1,0,0,0,0|2,0,0]=3 3215 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,1,0,0,0,0|2,0,0]=3 3216 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,1,0,0,0,0|1,0,0]=2 3217 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,1,0,0,0,0|1,0,0]=2 3218 B9R0.2 COCSCCCN(C)C 62a_100000766300_100000757444 [0,1,0,0,0,0|3,0,0]=4 3219 B9R0.2 COCSCCOC(C)C 62a_100000211751_100000766300 [0,1,0,0,0,0|3,0,0]=4 3220 B9R0.2 COCSCCOC(C)C 62a_100000766300_100000211751 [0,1,0,0,0,0|3,0,0]=4 3221 B9R0.2 COCSCCSC(C)C 62a_100000730970_100000766300 [0,1,0,0,0,0|3,0,0]=4 3222 B9R0.2 COCSCCSC(C)C 62a_100000766300_100000730970 [0,1,0,0,0,0|3,0,0]=4 3223 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,1,0,0,0,0|2,0,1]=4 3224 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|2,0,1]=4 3225 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|2,0,0]=3 3226 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|2,0,0]=3 3227 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,0,2]=4 3228 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,0,2]=4 3229 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|1,0,0]=2 3230 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|1,0,0]=2 3231 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|1,0,2]=4 3232 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|1,0,2]=4 3233 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,1,0,0,0,0|2,0,0]=3 3234 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,1,0,0,0,0|2,0,0]=3 3235 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|1,0,2]=4 3236 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|1,0,2]=4 3237 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,1,0,0,0,0|2,0,0]=3 3238 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,1,0,0,0,0|2,0,0]=3 3239 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|1,0,0]=2 3240 B9R0.2 CSCCCNCC(F)F 2230a_100000749238_100011934356 [0,1,0,0,0,0|3,0,0]=4 3241 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|1,0,0]=2 3242 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,1,0,0,0,0|2,0,0]=3 3243 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,1,0,0,0,0|2,0,0]=3 3244 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|1,0,0]=2 3245 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|1,0,0]=2 3246 B9R0.2 CSCCCOCC(F)F 34a_100000690336_100011934356 [0,1,0,0,0,0|3,0,0]=4 3247 B9R0.2 CSCCCOCC(F)F 7a_100000690336_100011934356 [0,1,0,0,0,0|3,0,0]=4 3248 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|1,0,0]=2 3249 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|1,0,0]=2 3250 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,1,0,0,0,0|2,0,0]=3 3251 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,1,0,0,0,0|2,0,0]=3 3252 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|1,0,0]=2 3253 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|1,0,0]=2 3254 B9R0.2 CSCCNCOC(C)C 2230a_100020590264_100000709892 [0,1,0,0,0,0|3,0,0]=4 3255 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|1,0,2]=4 3256 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|1,0,2]=4 3257 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|1,0,2]=4 3258 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,1,0,0,0,0|2,0,0]=3 3259 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,1,0,0,0,0|2,0,0]=3 3260 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,1,0,0,0,0|2,0,0]=3 3261 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,1,0,0,0,0|2,0,0]=3 3262 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,1,0,0,0,0|2,0,0]=3 3263 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|1,0,0]=2 3264 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|1,0,0]=2 3265 B9R0.2 CSCCOCCC(F)F 34a_100103093639_100000212216 [0,1,0,0,0,0|3,0,0]=4 3266 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [0,1,0,0,0,0|3,0,0]=4 3267 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,1,0,0,0,0|2,0,0]=3 3268 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [0,1,0,0,0,0|3,0,0]=4 3269 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|1,0,2]=4 3270 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|1,0,2]=4 3271 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,1,0,0,0,0|2,0,0]=3 3272 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,1,0,0,0,0|2,0,0]=3 3273 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|1,0,0]=2 3274 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|1,0,0]=2 3275 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,1,0,0,0,0|3,0,0]=4 3276 B9R0.2 CSCCSCOC(C)C 62a_100000212216_100000709892 [0,1,0,0,0,0|3,0,0]=4 3277 B9R0.2 CSCCSCOC(C)C 62a_100000709892_100000751147 [0,1,0,0,0,0|3,0,0]=4 3278 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,1,0,0,0,0|2,0,0]=3 3279 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,1,0,0,0,0|2,0,0]=3 3280 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,1,0,0,0,0|2,0,1]=4 3281 B9R0.2 CSCNCCOC(C)C 2230a_100000701111_100011218213 [0,1,0,0,0,0|3,0,0]=4 3282 B9R0.2 CSCNCCOC(C)C 34a_100000701111_100011218213 [0,1,0,0,0,0|3,0,0]=4 3283 B9R0.2 CSCNCCSC(C)C 2230a_100000731138_100011218213 [0,1,0,0,0,0|3,0,0]=4 3284 B9R0.2 CSCNCCSC(C)C 34a_100000731138_100011218213 [0,1,0,0,0,0|3,0,0]=4 3285 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|1,0,2]=4 3286 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,1,0,0,0,0|2,0,0]=3 3287 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [0,1,0,0,0,0|3,0,0]=4 3288 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [0,1,0,0,0,0|3,0,0]=4 3289 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [0,1,0,0,0,0|3,0,0]=4 3290 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|1,0,2]=4 3291 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|1,0,2]=4 3292 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,1,0,0,0,0|2,0,0]=3 3293 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,1,0,0,0,0|2,0,0]=3 3294 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,1,0,0,0,0|1,0,0]=2 3295 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,1,0,0,0,0|1,0,0]=2 3296 B9R0.2 CSCSCCCN(C)C 62a_100011218213_100000757444 [0,1,0,0,0,0|3,0,0]=4 3297 B9R0.2 CSCSCCOC(C)C 62a_100000211751_100011218213 [0,1,0,0,0,0|3,0,0]=4 3298 B9R0.2 CSCSCCOC(C)C 62a_100011218213_100000211751 [0,1,0,0,0,0|3,0,0]=4 3299 B9R0.2 CSCSCCSC(C)C 62a_100000730970_100011218213 [0,1,0,0,0,0|3,0,0]=4 3300 B9R0.2 CSCSCCSC(C)C 62a_100011218213_100000730970 [0,1,0,0,0,0|3,0,0]=4 3301 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,1,0,0,0,0|2,0,0]=3 3302 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,1,0,0,0,0|2,0,0]=3 3303 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,1,0,0,0,0|2,0,0]=3 3304 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|2,0,0]=3 3305 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,1,0,0,0,0|2,0,0]=3 3306 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,1,0,0,0,0|2,0,0]=3 3307 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|1,0,0]=2 3308 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,0]=2 3309 B9R0.2 C[C@@H](O)COCC#CCCl 34a_200000047223_100009817552 [0,1,0,0,0,0|1,0,2]=4 3310 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|1,0,0]=2 3311 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|1,0,0]=2 3312 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|1,0,0]=2 3313 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|1,0,0]=2 3314 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|1,0,0]=2 3315 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|1,0,0]=2 3316 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,0]=2 3317 B9R0.2 C[C@@H](O)CSCC#CCO 62a_100009817552_200000047223 [0,1,0,0,0,0|1,0,2]=4 3318 B9R0.2 C[C@@H](O)CSCC#CCO 62a_200000047223_100009817552 [0,1,0,0,0,0|1,0,2]=4 3319 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [0,1,0,0,0,0|1,0,1]=3 3320 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [0,1,0,0,0,0|1,0,1]=3 3321 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,1,0,0,0,0|1,0,1]=3 3322 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,1,0,0,0,0|1,0,1]=3 3323 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|1,0,0]=2 3324 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|1,0,0]=2 3325 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|1,0,0]=2 3326 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|1,0,0]=2 3327 B9R0.2 C[C@@H](O)CSCCSC#N 62a_100000034367_100009817552 [0,1,0,0,0,0|2,0,1]=4 3328 B9R0.2 C[C@@H](O)CSCCSC#N 62a_100009817552_100000034367 [0,1,0,0,0,0|2,0,1]=4 3329 B9R0.2 FC(F)COCCCCBr 34a_100011216708_100011934356 [0,1,0,0,0,0|3,0,0]=4 3330 B9R0.2 FC(F)COCCCCCl 34a_100000210776_100011934356 [0,1,0,0,0,0|3,0,0]=4 3331 B9R0.2 FC(F)COCCCCCl 7a_100000210776_100011934356 [0,1,0,0,0,0|3,0,0]=4 3332 B9R0.2 FC(F)COCCCCI 34a_200012148704_100011934356 [0,1,0,0,0,0|3,0,0]=4 3333 B9R0.2 FCCCCNCC(F)F 34a_100000765723_100000729493 [0,1,0,0,0,0|3,0,0]=4 3334 B9R0.2 FCCCCOCC(F)F 34a_100000743014_100000729493 [0,1,0,0,0,0|3,0,0]=4 3335 B9R0.2 FCCCCOCC(F)F 34a_100011995726_100011934356 [0,1,0,0,0,0|3,0,0]=4 3336 B9R0.2 FCCCCOCC(F)F 7a_100011995726_100011934356 [0,1,0,0,0,0|3,0,0]=4 3337 B9R0.2 FCCCCSCC(F)F 62a_100000729493_100011934356 [0,1,0,0,0,0|3,0,0]=4 3338 B9R0.2 FCCCCSCC(F)F 62a_100011934356_100000729493 [0,1,0,0,0,0|3,0,0]=4 3339 B9R0.2 FCCCOCCC(F)F 34a_100103093639_100011934791 [0,1,0,0,0,0|3,0,0]=4 3340 B9R0.2 NCCCCOCC(F)F 34a_100000750430_100011934356 [0,1,0,0,0,0|3,0,0]=4 3341 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|2,0,1]=4 3342 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|2,0,1]=4 3343 B9R0.2 OB(O)CCCCSCF 62a_100015361967_200009817182 [0,1,0,0,0,0|3,0,0]=4 3344 B9R0.2 OB(O)CCCCSCF 62a_200009817182_100015361967 [0,1,0,0,0,0|3,0,0]=4 3345 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [0,1,0,0,0,0|3,0,0]=4 3346 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [0,1,0,0,0,0|3,0,0]=4 3347 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [0,1,0,0,0,0|3,0,0]=4 3348 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [0,1,0,0,0,0|3,0,0]=4 3349 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [0,1,0,0,0,0|3,0,0]=4 3350 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [0,1,0,0,0,0|3,0,0]=4 3351 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [0,1,0,0,0,0|3,0,0]=4 3352 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|0,0,2]=3 3353 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|1,0,2]=4 3354 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|1,0,2]=4 3355 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|1,0,2]=4 3356 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|2,0,0]=3 3357 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|2,0,0]=3 3358 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,0,2]=4 3359 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,0,2]=4 3360 B9R0.4 C#CCCC(=O)CC(C)O 1458a_100000692101_100011218427 [0,1,0,0,0,0|0,0,3]=4 3361 B9R0.4 C#CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000753159 [0,1,0,0,0,0|0,0,3]=4 3362 B9R0.4 C#CCCN(C)CC(C)O 2230a_100000227577_100000688953 [0,1,0,0,0,0|1,0,2]=4 3363 B9R0.4 C#CCCN(C)CC(C)O 269982a_100000227577_100000730999 [0,1,0,0,0,0|1,0,2]=4 3364 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,1,0,0,0,0|0,0,3]=4 3365 B9R0.4 C/C=C/CN(C)CC(C)O 269982a_100000227577_100102629194 [0,1,0,0,0,0|1,0,2]=4 3366 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|1,0,2]=4 3367 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,1,0,0,0,0|2,0,1]=4 3368 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,1,0,0,0,0|2,0,1]=4 3369 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,1,0,0,0,0|2,0,1]=4 3370 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,1,0,0,0,0|2,0,1]=4 3371 B9R0.4 C=CCCC(=O)CC(C)O 1458a_100000749702_100011218427 [0,1,0,0,0,0|0,0,3]=4 3372 B9R0.4 C=CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000754431 [0,1,0,0,0,0|0,0,3]=4 3373 B9R0.4 C=CCCN(C)CC(C)O 2230a_100000227577_100000754431 [0,1,0,0,0,0|1,0,2]=4 3374 B9R0.4 C=CCCN(C)CC(C)O 2230a_100020639649_100011218427 [0,1,0,0,0,0|1,0,2]=4 3375 B9R0.4 C=CCCN(C)CC(C)O 269982a_100000227577_100000754431 [0,1,0,0,0,0|1,0,2]=4 3376 B9R0.4 C=CCCN(C)CC(C)O 269982a_100020639649_100011218427 [0,1,0,0,0,0|1,0,2]=4 3377 B9R0.4 C=CCCN(C)C[C@@H](C)O 2230a_100020639649_100009817552 [0,1,0,0,0,0|1,0,2]=4 3378 B9R0.4 C=CCCN(C)C[C@@H](C)O 269982a_100020639649_100009817552 [0,1,0,0,0,0|1,0,2]=4 3379 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,1,0,0,0,0|0,0,3]=4 3380 B9R0.4 CC#CCN(C)CC(C)O 2230a_100000227577_100000748600 [0,1,0,0,0,0|1,0,2]=4 3381 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|2,0,1]=4 3382 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|2,0,1]=4 3383 B9R0.4 CC(C)CC(C)NCCF 2230a_100000692259_100011217306 [0,1,0,0,0,0|3,0,0]=4 3384 B9R0.4 CC(C)CC(C)NCCF 34a_100000724931_100000731052 [0,1,0,0,0,0|3,0,0]=4 3385 B9R0.4 CC(C)CC(C)NCCO 2230a_100000692259_100000211926 [0,1,0,0,0,0|3,0,0]=4 3386 B9R0.4 CC(C)CC(C)NCCO 2230a_100016997473_100000731052 [0,1,0,0,0,0|3,0,0]=4 3387 B9R0.4 CC(C)CC(C)NCCO 34a_100016990907_100000731052 [0,1,0,0,0,0|3,0,0]=4 3388 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,1,0,0,0,0|3,0,0]=4 3389 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,1,0,0,0,0|3,0,0]=4 3390 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,1,0,0,0,0|3,0,0]=4 3391 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,1,0,0,0,0|3,0,0]=4 3392 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,1,0,0,0,0|3,0,0]=4 3393 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,1,0,0,0,0|3,0,0]=4 3394 B9R0.4 CC(C)CC(C)SCCF 62a_100000731052_100011217306 [0,1,0,0,0,0|3,0,0]=4 3395 B9R0.4 CC(C)CC(C)SCCF 62a_100011217306_100000731052 [0,1,0,0,0,0|3,0,0]=4 3396 B9R0.4 CC(C)CC(C)SCCO 62a_100000211926_100000731052 [0,1,0,0,0,0|3,0,0]=4 3397 B9R0.4 CC(C)CC(C)SCCO 62a_100000731052_100000211926 [0,1,0,0,0,0|3,0,0]=4 3398 B9R0.4 CC(C)CN(C)CCCF 2230a_100000747067_100011934791 [0,1,0,0,0,0|3,0,0]=4 3399 B9R0.4 CC(C)CN(C)CCCF 269982a_100000747067_100011934791 [0,1,0,0,0,0|3,0,0]=4 3400 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [0,1,0,0,0,0|3,0,0]=4 3401 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [0,1,0,0,0,0|3,0,0]=4 3402 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [0,1,0,0,0,0|3,0,0]=4 3403 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [0,1,0,0,0,0|3,0,0]=4 3404 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [0,1,0,0,0,0|3,0,0]=4 3405 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [0,1,0,0,0,0|2,0,0]=3 3406 B9R0.4 CC(C)C[C@H](N)COCF 34a_100011830311_100015361967 [0,1,0,0,0,0|3,0,0]=4 3407 B9R0.4 CC(C)OC(C)CCCCl 34a_200000718107_100000210206 [0,1,0,0,0,0|3,0,0]=4 3408 B9R0.4 CC(C)OC(C)CCCCl 7a_200000718107_100000210206 [0,1,0,0,0,0|3,0,0]=4 3409 B9R0.4 CC(O)CC(=O)CCC#N 1458a_100011934036_100011218427 [0,1,0,0,0,0|1,0,2]=4 3410 B9R0.4 CC(O)CN(C)CCC#N 2230a_100000184479_100011218427 [0,1,0,0,0,0|2,0,1]=4 3411 B9R0.4 CC(O)CN(C)CCC#N 2230a_100000227577_100011215226 [0,1,0,0,0,0|2,0,1]=4 3412 B9R0.4 CC(O)CN(C)CCC#N 269982a_100000227577_100011215226 [0,1,0,0,0,0|2,0,1]=4 3413 B9R0.4 CC(O)CN(C)CCCF 2230a_100000227577_100011934791 [0,1,0,0,0,0|2,0,0]=3 3414 B9R0.4 CC(O)CN(C)CCCF 269982a_100000227577_100011934791 [0,1,0,0,0,0|2,0,0]=3 3415 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [0,1,0,0,0,0|2,0,0]=3 3416 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [0,1,0,0,0,0|2,0,0]=3 3417 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [0,1,0,0,0,0|2,0,0]=3 3418 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [0,1,0,0,0,0|2,0,0]=3 3419 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,1,0,0,0,0|0,0,3]=4 3420 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,1,0,0,0,0|0,0,3]=4 3421 B9R0.4 CC=CCN(C)CC(C)O 2230a_100000227577_100000070051 [0,1,0,0,0,0|1,0,2]=4 3422 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,1,0,0,0,0|0,0,3]=4 3423 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,0|0,0,3]=4 3424 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|1,0,1]=3 3425 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|1,0,1]=3 3426 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|0,0,1]=2 3427 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,1,0,0,0,0|2,0,1]=4 3428 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|2,0,1]=4 3429 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|0,0,1]=2 3430 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|2,0,1]=4 3431 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 3432 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 3433 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 3434 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,0|2,0,1]=4 3435 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|1,0,2]=4 3436 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|1,0,2]=4 3437 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|1,0,2]=4 3438 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|1,0,2]=4 3439 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,1,0,0,0,0|2,0,0]=3 3440 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,1,0,0,0,0|2,0,0]=3 3441 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,1,0,0,0,0|2,0,0]=3 3442 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,1,0,0,0,0|2,0,0]=3 3443 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,1,0,0,0,0|2,0,0]=3 3444 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,1,0,0,0,0|2,0,0]=3 3445 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,1,0,0,0,0|2,0,0]=3 3446 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,1,0,0,0,0|2,0,0]=3 3447 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,0|2,0,1]=4 3448 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,1,0,0,0,0|2,0,0]=3 3449 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,1,0,0,0,0|2,0,0]=3 3450 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,1,0,0,0,0|2,0,0]=3 3451 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,1,0,0,0,0|2,0,0]=3 3452 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,1,0,0,0,0|2,0,0]=3 3453 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,1,0,0,0,0|1,0,0]=2 3454 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,1,0,0,0,0|1,0,0]=2 3455 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,1,0,0,0,0|1,0,0]=2 3456 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,1,0,0,0,0|1,0,0]=2 3457 B9R0.4 CCCCN(C)CC(F)F 2230a_100000207549_100011934356 [0,1,0,0,0,0|3,0,0]=4 3458 B9R0.4 CCCCN(C)CC(F)F 269982a_100000207549_100011934356 [0,1,0,0,0,0|3,0,0]=4 3459 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,1,0,0,0,0|1,0,0]=2 3460 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,1,0,0,0,0|1,0,0]=2 3461 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 3462 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 3463 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 3464 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 3465 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|1,0,1]=3 3466 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,1,0,0,0,0|2,0,0]=3 3467 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,1,0,0,0,0|2,0,0]=3 3468 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,1,0,0,0,0|2,0,0]=3 3469 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,1,0,0,0,0|2,0,0]=3 3470 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,1,0,0,0,0|2,0,0]=3 3471 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,1,0,0,0,0|2,0,0]=3 3472 B9R0.4 CCCSC(C)CN(C)C 62a_100000210303_100020606517 [0,1,0,0,0,0|3,0,0]=4 3473 B9R0.4 CCCSC(C)CN(C)C 62a_100020606517_100000210303 [0,1,0,0,0,0|3,0,0]=4 3474 B9R0.4 CCNCC(C)CN(C)C 2230a_100015525214_100015348159 [0,1,0,0,0,0|3,0,0]=4 3475 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,0|2,0,1]=4 3476 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,1,0,0,0,0|2,0,1]=4 3477 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|2,0,1]=4 3478 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|1,0,1]=3 3479 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,1,0,0,0,0|3,0,0]=4 3480 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,1,0,0,0,0|3,0,0]=4 3481 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,1,0,0,0,0|3,0,0]=4 3482 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [0,1,0,0,0,0|2,0,0]=3 3483 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,1,0,0,0,0|2,0,0]=3 3484 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|2,0,1]=4 3485 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|1,0,1]=3 3486 B9R0.4 CCSCC(C)CN(C)C 62a_100000210202_100015348159 [0,1,0,0,0,0|3,0,0]=4 3487 B9R0.4 CCSCC(C)CN(C)C 62a_100015348159_100000210202 [0,1,0,0,0,0|3,0,0]=4 3488 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|2,0,1]=4 3489 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|2,0,1]=4 3490 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|1,0,1]=3 3491 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|1,0,1]=3 3492 B9R0.4 COCCN(C)CC(C)C 2230a_100000743101_100000210760 [0,1,0,0,0,0|3,0,0]=4 3493 B9R0.4 COCCN(C)CC(C)C 2230a_100000747067_100011201679 [0,1,0,0,0,0|3,0,0]=4 3494 B9R0.4 COCCN(C)CC(C)C 269982a_100000743101_100000210624 [0,1,0,0,0,0|3,0,0]=4 3495 B9R0.4 COCCN(C)CC(C)C 269982a_100000747067_100000233755 [0,1,0,0,0,0|3,0,0]=4 3496 B9R0.4 COCCN(C)CC(C)C 270004a_100000743101_100000210432 [0,1,0,0,0,0|3,0,0]=4 3497 B9R0.4 COCCN(C)CC(C)O 2230a_100000227577_100011201679 [0,1,0,0,0,0|2,0,0]=3 3498 B9R0.4 COCCN(C)CC(C)O 2230a_100000743101_100011218427 [0,1,0,0,0,0|2,0,0]=3 3499 B9R0.4 COCCN(C)CC(C)O 269982a_100000227577_100000233755 [0,1,0,0,0,0|2,0,0]=3 3500 B9R0.4 COCCN(C)CC(C)O 269982a_100000743101_100011218427 [0,1,0,0,0,0|2,0,0]=3 3501 B9R0.4 COCCN(C)C[C@@H](C)O 2230a_100000743101_100009817552 [0,1,0,0,0,0|2,0,0]=3 3502 B9R0.4 COCCN(C)C[C@@H](C)O 269982a_100000743101_100009817552 [0,1,0,0,0,0|2,0,0]=3 3503 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [0,1,0,0,0,0|2,0,0]=3 3504 B9R0.4 COCNC(C)CC(C)C 2230a_100000692259_100000766300 [0,1,0,0,0,0|3,0,0]=4 3505 B9R0.4 COCSC(C)CC(C)C 62a_100000731052_100000766300 [0,1,0,0,0,0|3,0,0]=4 3506 B9R0.4 COCSC(C)CC(C)C 62a_100000766300_100000731052 [0,1,0,0,0,0|3,0,0]=4 3507 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|2,0,1]=4 3508 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|2,0,1]=4 3509 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|1,0,1]=3 3510 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|1,0,1]=3 3511 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [0,1,0,0,0,0|3,0,0]=4 3512 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [0,1,0,0,0,0|3,0,0]=4 3513 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [0,1,0,0,0,0|3,0,0]=4 3514 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [0,1,0,0,0,0|3,0,0]=4 3515 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [0,1,0,0,0,0|3,0,0]=4 3516 B9R0.4 CSCCN(C)CC(C)O 2230a_100000227577_100000751147 [0,1,0,0,0,0|2,0,0]=3 3517 B9R0.4 CSCCN(C)CC(C)O 2230a_100000686725_100011218427 [0,1,0,0,0,0|2,0,0]=3 3518 B9R0.4 CSCCN(C)CC(C)O 269982a_100000227577_100000212216 [0,1,0,0,0,0|2,0,0]=3 3519 B9R0.4 CSCCN(C)CC(C)O 269982a_100000686725_100011218427 [0,1,0,0,0,0|2,0,0]=3 3520 B9R0.4 CSCCN(C)C[C@@H](C)O 2230a_100000686725_100009817552 [0,1,0,0,0,0|2,0,0]=3 3521 B9R0.4 CSCCN(C)C[C@@H](C)O 269982a_100000686725_100009817552 [0,1,0,0,0,0|2,0,0]=3 3522 B9R0.4 CSCNC(C)CC(C)C 2230a_100000692259_100011218213 [0,1,0,0,0,0|3,0,0]=4 3523 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,1,0,0,0,0|3,0,0]=4 3524 B9R0.4 CSCSC(C)CC(C)C 62a_100000731052_100011218213 [0,1,0,0,0,0|3,0,0]=4 3525 B9R0.4 CSCSC(C)CC(C)C 62a_100011218213_100000731052 [0,1,0,0,0,0|3,0,0]=4 3526 B9R0.4 C[C@@H](O)CC(=O)CCC#N 1458a_100011933948_100011215226 [0,1,0,0,0,0|1,0,2]=4 3527 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|1,0,1]=3 3528 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|1,0,1]=3 3529 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,1,0,0,0,0|2,0,1]=4 3530 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,1,0,0,0,0|2,0,1]=4 3531 B9R0.4 C[C@@H](O)CN(C)CCC#N 2230a_100000184479_100009817552 [0,1,0,0,0,0|2,0,1]=4 3532 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [0,1,0,0,0,0|2,0,0]=3 3533 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [0,1,0,0,0,0|2,0,0]=3 3534 B9R0.38 C#CCCNCC(C)(C)O 2230a_100000751335_100000688953 [0,1,0,0,0,0|1,0,2]=4 3535 B9R0.38 C#CCCNCC(C)(C)O 34a_100000755551_100000764493 [0,1,0,0,0,0|1,0,2]=4 3536 B9R0.38 C#CCCOCC(C)(C)O 34a_100011215631_100000764493 [0,1,0,0,0,0|1,0,2]=4 3537 B9R0.38 C#CCCSCC(C)(C)O 62a_100000688953_100000764493 [0,1,0,0,0,0|1,0,2]=4 3538 B9R0.38 C#CCCSCC(C)(C)O 62a_100000764493_100000688953 [0,1,0,0,0,0|1,0,2]=4 3539 B9R0.38 C#CCNCCC(C)(C)O 34a_100000212058_100000702414 [0,1,0,0,0,0|1,0,2]=4 3540 B9R0.38 C#CCOCCC(C)(C)O 34a_100000210247_100000702414 [0,1,0,0,0,0|1,0,2]=4 3541 B9R0.38 C#CCSCCC(C)(C)O 62a_100000038162_100000702414 [0,1,0,0,0,0|1,0,2]=4 3542 B9R0.38 C/C=C/COCC(C)(C)O 34a_100016270725_100000764493 [0,1,0,0,0,0|1,0,2]=4 3543 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100000764493_100102629194 [0,1,0,0,0,0|1,0,2]=4 3544 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100102629194_100000764493 [0,1,0,0,0,0|1,0,2]=4 3545 B9R0.38 C=CCCNCC(C)(C)O 2230a_100000751335_100000754431 [0,1,0,0,0,0|1,0,2]=4 3546 B9R0.38 C=CCCOCC(C)(C)O 34a_100011205117_100000764493 [0,1,0,0,0,0|1,0,2]=4 3547 B9R0.38 C=CCCSCC(C)(C)O 62a_100000754431_100000764493 [0,1,0,0,0,0|1,0,2]=4 3548 B9R0.38 C=CCCSCC(C)(C)O 62a_100000764493_100000754431 [0,1,0,0,0,0|1,0,2]=4 3549 B9R0.38 C=CCNCCC(C)(C)O 2230a_100020586998_100000702414 [0,1,0,0,0,0|1,0,2]=4 3550 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [0,1,0,0,0,0|1,0,2]=4 3551 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [0,1,0,0,0,0|1,0,2]=4 3552 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [0,1,0,0,0,0|1,0,2]=4 3553 B9R0.38 CC#CCNCC(C)(C)O 2230a_100000751335_100000748600 [0,1,0,0,0,0|1,0,2]=4 3554 B9R0.38 CC#CCNCC(C)(C)O 34a_100000685387_100000764493 [0,1,0,0,0,0|1,0,2]=4 3555 B9R0.38 CC#CCOCC(C)(C)O 34a_100000761923_100000764493 [0,1,0,0,0,0|1,0,2]=4 3556 B9R0.38 CC#CCSCC(C)(C)O 62a_100000748600_100000764493 [0,1,0,0,0,0|1,0,2]=4 3557 B9R0.38 CC#CCSCC(C)(C)O 62a_100000764493_100000748600 [0,1,0,0,0,0|1,0,2]=4 3558 B9R0.38 CC(C)(C)CCNCCF 2230a_100000738805_100011217306 [0,1,0,0,0,0|3,0,0]=4 3559 B9R0.38 CC(C)(C)CCNCCF 34a_100000724931_100000755188 [0,1,0,0,0,0|3,0,0]=4 3560 B9R0.38 CC(C)(C)CCNCCO 2230a_100000738805_100000211926 [0,1,0,0,0,0|3,0,0]=4 3561 B9R0.38 CC(C)(C)CCNCCO 2230a_100016997473_100000755188 [0,1,0,0,0,0|3,0,0]=4 3562 B9R0.38 CC(C)(C)CCNCCO 34a_100016990907_100000755188 [0,1,0,0,0,0|3,0,0]=4 3563 B9R0.38 CC(C)(C)CCOCCBr 34a_100000211926_100000755188 [0,1,0,0,0,0|3,0,0]=4 3564 B9R0.38 CC(C)(C)CCOCCF 7a_100000765024_100011217306 [0,1,0,0,0,0|3,0,0]=4 3565 B9R0.38 CC(C)(C)CCOCCN 34a_100000210304_100000755188 [0,1,0,0,0,0|3,0,0]=4 3566 B9R0.38 CC(C)(C)CCOCCO 7a_100000765024_100000211926 [0,1,0,0,0,0|3,0,0]=4 3567 B9R0.38 CC(C)(C)CCSCCF 62a_100000755188_100011217306 [0,1,0,0,0,0|3,0,0]=4 3568 B9R0.38 CC(C)(C)CCSCCF 62a_100011217306_100000755188 [0,1,0,0,0,0|3,0,0]=4 3569 B9R0.38 CC(C)(C)CCSCCO 62a_100000211926_100000755188 [0,1,0,0,0,0|3,0,0]=4 3570 B9R0.38 CC(C)(C)CCSCCO 62a_100000755188_100000211926 [0,1,0,0,0,0|3,0,0]=4 3571 B9R0.38 CC(C)(C)CNCCCF 2230a_100000743828_100011934791 [0,1,0,0,0,0|3,0,0]=4 3572 B9R0.38 CC(C)(C)CNCCCF 270004a_100015189416_100011204126 [0,1,0,0,0,0|3,0,0]=4 3573 B9R0.38 CC(C)(C)CNCCCF 34a_100015189416_100011219605 [0,1,0,0,0,0|3,0,0]=4 3574 B9R0.38 CC(C)(C)CNCCCO 2230a_100000743828_100000230001 [0,1,0,0,0,0|3,0,0]=4 3575 B9R0.38 CC(C)(C)CNCCCO 270004a_100000182051_100011204126 [0,1,0,0,0,0|3,0,0]=4 3576 B9R0.38 CC(C)(C)COCCCBr 34a_100011217188_100011219605 [0,1,0,0,0,0|3,0,0]=4 3577 B9R0.38 CC(C)(C)COCCCCl 34a_100000230001_100011219605 [0,1,0,0,0,0|3,0,0]=4 3578 B9R0.38 CC(C)(C)COCCCF 34a_100000759539_100011219605 [0,1,0,0,0,0|3,0,0]=4 3579 B9R0.38 CC(C)(C)COCCCN 34a_100000182051_100011219605 [0,1,0,0,0,0|3,0,0]=4 3580 B9R0.38 CC(C)(C)CSCCCF 62a_100011219605_100011934791 [0,1,0,0,0,0|3,0,0]=4 3581 B9R0.38 CC(C)(C)CSCCCF 62a_100011934791_100011219605 [0,1,0,0,0,0|3,0,0]=4 3582 B9R0.38 CC(C)(C)CSCCCO 62a_100011215043_100011219605 [0,1,0,0,0,0|3,0,0]=4 3583 B9R0.38 CC(C)(C)CSCCCO 62a_100011219605_100011215043 [0,1,0,0,0,0|3,0,0]=4 3584 B9R0.38 CC(C)(C)NCCCCF 2230a_100000715429_100000729493 [0,1,0,0,0,0|3,0,0]=4 3585 B9R0.38 CC(C)(C)NCCCCO 2230a_100000715429_100000210776 [0,1,0,0,0,0|3,0,0]=4 3586 B9R0.38 CC(C)(C)NCCCCO 34a_100000750430_100000210625 [0,1,0,0,0,0|3,0,0]=4 3587 B9R0.38 CC(C)(C)OCCCCBr 34a_100011216708_100000210625 [0,1,0,0,0,0|3,0,0]=4 3588 B9R0.38 CC(C)(C)OCCCCCl 34a_100000210776_100000210625 [0,1,0,0,0,0|3,0,0]=4 3589 B9R0.38 CC(C)(C)OCCCCF 34a_100011995726_100000210625 [0,1,0,0,0,0|3,0,0]=4 3590 B9R0.38 CC(C)(C)OCCCCF 34a_100015890283_100000729493 [0,1,0,0,0,0|3,0,0]=4 3591 B9R0.38 CC(C)(C)OCCCCF 7a_100015890283_100000729493 [0,1,0,0,0,0|3,0,0]=4 3592 B9R0.38 CC(C)(C)OCCCCI 34a_200012148704_100000210625 [0,1,0,0,0,0|3,0,0]=4 3593 B9R0.38 CC(C)(C)OCCCCN 34a_100000750430_100000210625 [0,1,0,0,0,0|3,0,0]=4 3594 B9R0.38 CC(C)(C)OCCCCO 34a_100015890283_100011216708 [0,1,0,0,0,0|3,0,0]=4 3595 B9R0.38 CC(C)(C)OCCCCO 7a_100015890283_100000210776 [0,1,0,0,0,0|3,0,0]=4 3596 B9R0.38 CC(C)(C)OCCCN[13CH3] 2230a_100011250582_200025704644 [0,1,0,0,0,0|3,0,0]=4 3597 B9R0.38 CC(C)(C)SCCCCF 62a_100000211941_100000729493 [0,1,0,0,0,0|3,0,0]=4 3598 B9R0.38 CC(C)(C)SCCCCF 62a_100000729493_100000211941 [0,1,0,0,0,0|3,0,0]=4 3599 B9R0.38 CC(C)(C)SCCCCO 62a_100000210776_100000211941 [0,1,0,0,0,0|3,0,0]=4 3600 B9R0.38 CC(C)(C)SCCCCO 62a_100000211941_100000210776 [0,1,0,0,0,0|3,0,0]=4 3601 B9R0.38 CC(C)(F)CCNCCF 2230a_100016253952_100011217306 [0,1,0,0,0,0|3,0,0]=4 3602 B9R0.38 CC(C)(F)CCNCCO 2230a_100016253952_100000211926 [0,1,0,0,0,0|3,0,0]=4 3603 B9R0.38 CC(C)(F)CNCCCF 2230a_100020643315_100011934791 [0,1,0,0,0,0|3,0,0]=4 3604 B9R0.38 CC(C)(F)CNCCCF 34a_100015189416_100011997219 [0,1,0,0,0,0|3,0,0]=4 3605 B9R0.38 CC(C)(F)CNCCCO 2230a_100020643315_100000230001 [0,1,0,0,0,0|3,0,0]=4 3606 B9R0.38 CC(C)(F)COCCCBr 34a_100011217188_100011997219 [0,1,0,0,0,0|3,0,0]=4 3607 B9R0.38 CC(C)(F)COCCCCl 34a_100000230001_100011997219 [0,1,0,0,0,0|3,0,0]=4 3608 B9R0.38 CC(C)(F)COCCCF 34a_100000716592_100011934791 [0,1,0,0,0,0|3,0,0]=4 3609 B9R0.38 CC(C)(F)COCCCF 34a_100000759539_100011997219 [0,1,0,0,0,0|3,0,0]=4 3610 B9R0.38 CC(C)(F)COCCCN 34a_100000182051_100011997219 [0,1,0,0,0,0|3,0,0]=4 3611 B9R0.38 CC(C)(F)COCCCO 34a_100000716592_100000230001 [0,1,0,0,0,0|3,0,0]=4 3612 B9R0.38 CC(C)(F)CSCCCF 62a_100011934791_100011997219 [0,1,0,0,0,0|3,0,0]=4 3613 B9R0.38 CC(C)(F)CSCCCF 62a_100011997219_100011934791 [0,1,0,0,0,0|3,0,0]=4 3614 B9R0.38 CC(C)(F)CSCCCO 62a_100011215043_100011997219 [0,1,0,0,0,0|3,0,0]=4 3615 B9R0.38 CC(C)(F)CSCCCO 62a_100011997219_100011215043 [0,1,0,0,0,0|3,0,0]=4 3616 B9R0.38 CC(C)(O)CCCSCF 62a_100009888830_100015361967 [0,1,0,0,0,0|2,0,0]=3 3617 B9R0.38 CC(C)(O)CCCSCF 62a_100015361967_100009888830 [0,1,0,0,0,0|2,0,0]=3 3618 B9R0.38 CC(C)(O)CCNCCF 34a_100000724931_100000702414 [0,1,0,0,0,0|2,0,0]=3 3619 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [0,1,0,0,0,0|2,0,0]=3 3620 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [0,1,0,0,0,0|2,0,0]=3 3621 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [0,1,0,0,0,0|2,0,0]=3 3622 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [0,1,0,0,0,0|2,0,0]=3 3623 B9R0.38 CC(C)(O)CCSCC#N 62a_100000702414_100011215382 [0,1,0,0,0,0|2,0,1]=4 3624 B9R0.38 CC(C)(O)CCSCC#N 62a_100011215382_100000702414 [0,1,0,0,0,0|2,0,1]=4 3625 B9R0.38 CC(C)(O)CCSCC=O 62a_100000702414_200015260668 [0,1,0,0,0,0|2,0,1]=4 3626 B9R0.38 CC(C)(O)CCSCC=O 62a_200015260668_100000702414 [0,1,0,0,0,0|2,0,1]=4 3627 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [0,1,0,0,0,0|2,0,0]=3 3628 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [0,1,0,0,0,0|2,0,0]=3 3629 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [0,1,0,0,0,0|2,0,0]=3 3630 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [0,1,0,0,0,0|2,0,0]=3 3631 B9R0.38 CC(C)(O)CNCCC#N 2230a_100000751335_100011215226 [0,1,0,0,0,0|2,0,1]=4 3632 B9R0.38 CC(C)(O)CNCCCF 2230a_100000751335_100011934791 [0,1,0,0,0,0|2,0,0]=3 3633 B9R0.38 CC(C)(O)CNCCCF 34a_100015189416_100000764493 [0,1,0,0,0,0|2,0,0]=3 3634 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [0,1,0,0,0,0|2,0,0]=3 3635 B9R0.38 CC(C)(O)COCCCBr 34a_100011217188_100000764493 [0,1,0,0,0,0|2,0,0]=3 3636 B9R0.38 CC(C)(O)COCCCCl 34a_100000230001_100000764493 [0,1,0,0,0,0|2,0,0]=3 3637 B9R0.38 CC(C)(O)COCCCF 34a_100000759539_100000764493 [0,1,0,0,0,0|2,0,0]=3 3638 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [0,1,0,0,0,0|2,0,0]=3 3639 B9R0.38 CC(C)(O)COCCON 34a_100000700252_100000764493 [0,1,0,0,0,0|3,0,0]=4 3640 B9R0.38 CC(C)(O)CSCCC#N 62a_100000764493_100011215226 [0,1,0,0,0,0|2,0,1]=4 3641 B9R0.38 CC(C)(O)CSCCC#N 62a_100011215226_100000764493 [0,1,0,0,0,0|2,0,1]=4 3642 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [0,1,0,0,0,0|2,0,0]=3 3643 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [0,1,0,0,0,0|2,0,0]=3 3644 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [0,1,0,0,0,0|2,0,0]=3 3645 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [0,1,0,0,0,0|2,0,0]=3 3646 B9R0.38 CC(F)(F)COCCCF 34a_100000068830_100011934791 [0,1,0,0,0,0|3,0,0]=4 3647 B9R0.38 CC(F)(F)COCCCO 34a_100000068830_100000230001 [0,1,0,0,0,0|3,0,0]=4 3648 B9R0.38 CC=CCNCC(C)(C)O 2230a_100000751335_100000070051 [0,1,0,0,0,0|1,0,2]=4 3649 B9R0.38 CC=CCSCC(C)(C)O 62a_100000070051_100000764493 [0,1,0,0,0,0|1,0,2]=4 3650 B9R0.38 CC=CCSCC(C)(C)O 62a_100000764493_100000070051 [0,1,0,0,0,0|1,0,2]=4 3651 B9R0.38 CCCCCNC(C)(C)C 2230a_100000715429_100000210326 [0,1,0,0,0,0|2,0,0]=3 3652 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [0,1,0,0,0,0|2,0,1]=4 3653 B9R0.38 CCCCCOC(C)(C)C 34a_100000210253_100000210625 [0,1,0,0,0,0|2,0,0]=3 3654 B9R0.38 CCCCCOC(C)(C)C 34a_100015890283_100000718602 [0,1,0,0,0,0|2,0,0]=3 3655 B9R0.38 CCCCCOC(C)(C)C 7a_100015890283_100000210326 [0,1,0,0,0,0|2,0,0]=3 3656 B9R0.38 CCCCCOC(F)(F)F 34a_100000210253_200103152311 [0,1,0,0,0,0|3,0,0]=4 3657 B9R0.38 CCCCCOC(F)(F)F 7a_100000210253_200000243211 [0,1,0,0,0,0|3,0,0]=4 3658 B9R0.38 CCCCCSC(C)(C)C 62a_100000210326_100000211941 [0,1,0,0,0,0|2,0,0]=3 3659 B9R0.38 CCCCCSC(C)(C)C 62a_100000211941_100000210326 [0,1,0,0,0,0|2,0,0]=3 3660 B9R0.38 CCCCCSC(F)(F)F 62a_100000210326_200103152311 [0,1,0,0,0,0|3,0,0]=4 3661 B9R0.38 CCCCCSC(F)(F)F 62a_200000243211_100000210326 [0,1,0,0,0,0|3,0,0]=4 3662 B9R0.38 CCCCNCC(C)(C)C 2230a_100000743828_100000210211 [0,1,0,0,0,0|2,0,0]=3 3663 B9R0.38 CCCCNCC(C)(C)C 270004a_100000102301_100011204126 [0,1,0,0,0,0|2,0,0]=3 3664 B9R0.38 CCCCNCC(C)(C)F 2230a_100020643315_100000210211 [0,1,0,0,0,0|2,0,0]=3 3665 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [0,1,0,0,0,0|1,0,0]=2 3666 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [0,1,0,0,0,0|1,0,0]=2 3667 B9R0.38 CCCCNCC(F)(F)F 2230a_100000102301_100000763148 [0,1,0,0,0,0|3,0,0]=4 3668 B9R0.38 CCCCNCC(F)(F)F 34a_100000717047_100000210210 [0,1,0,0,0,0|3,0,0]=4 3669 B9R0.38 CCCCNC[Si](C)(C)C 2230a_100000102301_100000037933 [0,1,0,0,0,0|2,1,0]=4 3670 B9R0.38 CCCCNC[Si](C)(C)C 7a_106832991798_100000233785 [0,1,0,0,0,0|2,1,0]=4 3671 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [0,1,0,0,0,0|2,0,0]=3 3672 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [0,1,0,0,0,0|2,0,0]=3 3673 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [0,1,0,0,0,0|2,0,0]=3 3674 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [0,1,0,0,0,0|1,0,0]=2 3675 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [0,1,0,0,0,0|1,0,0]=2 3676 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [0,1,0,0,0,0|2,0,0]=3 3677 B9R0.38 CCCCOCC(F)(F)Br 34a_100011217949_100000210210 [0,1,0,0,0,0|3,0,0]=4 3678 B9R0.38 CCCCOCC(F)(F)Cl 34a_100000734434_100000210210 [0,1,0,0,0,0|3,0,0]=4 3679 B9R0.38 CCCCOCC(F)(F)F 34a_100000210435_100000210210 [0,1,0,0,0,0|3,0,0]=4 3680 B9R0.38 CCCCOC[Si](C)(C)C 7a_100000210227_100000233785 [0,1,0,0,0,0|2,1,0]=4 3681 B9R0.38 CCCCSCC(C)(C)C 62a_100000210211_100011219605 [0,1,0,0,0,0|2,0,0]=3 3682 B9R0.38 CCCCSCC(C)(C)C 62a_100011219605_100000210210 [0,1,0,0,0,0|2,0,0]=3 3683 B9R0.38 CCCCSCC(C)(C)F 62a_100000210211_100011997219 [0,1,0,0,0,0|2,0,0]=3 3684 B9R0.38 CCCCSCC(C)(C)F 62a_100011997219_100000210210 [0,1,0,0,0,0|2,0,0]=3 3685 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [0,1,0,0,0,0|1,0,0]=2 3686 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [0,1,0,0,0,0|1,0,0]=2 3687 B9R0.38 CCCCSCC(F)(F)F 62a_100000210211_100000763148 [0,1,0,0,0,0|3,0,0]=4 3688 B9R0.38 CCCCSCC(F)(F)F 62a_100000763148_100000210210 [0,1,0,0,0,0|3,0,0]=4 3689 B9R0.38 CCCCSC[N+](C)(C)C 62a_100000210211_200000036245 [0,1,0,0,0,0|3,0,0]=4 3690 B9R0.38 CCCCSC[N+](C)(C)C 62a_200000036245_100000210210 [0,1,0,0,0,0|3,0,0]=4 3691 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000037933_100000210210 [0,1,0,0,0,0|2,1,0]=4 3692 B9R0.38 CCCCSC[Si](C)(C)C 62a_100000210211_100000037933 [0,1,0,0,0,0|2,1,0]=4 3693 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [0,1,0,0,0,0|2,0,0]=3 3694 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [0,1,0,0,0,0|2,0,0]=3 3695 B9R0.38 CCCNCCC(F)(F)F 2230a_100000740434_100000210303 [0,1,0,0,0,0|3,0,0]=4 3696 B9R0.38 CCCNCCC(F)(F)F 34a_100000740434_100000210303 [0,1,0,0,0,0|3,0,0]=4 3697 B9R0.38 CCCNCCS(=O)(=O)C 2230a_100000740961_100000210303 [0,1,0,0,0,0|2,0,1]=4 3698 B9R0.38 CCCNCCS(=O)(=O)C 34a_100000740961_100000210303 [0,1,0,0,0,0|2,0,1]=4 3699 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [0,1,0,0,0,0|2,0,0]=3 3700 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [0,1,0,0,0,0|2,0,0]=3 3701 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,1,0,0,0,0|1,0,0]=2 3702 B9R0.38 CCCOCCC(F)(F)F 34a_100000210258_100011219754 [0,1,0,0,0,0|3,0,0]=4 3703 B9R0.38 CCCOCCC(F)(F)F 34a_100000752437_100000210303 [0,1,0,0,0,0|3,0,0]=4 3704 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000210258_100000731031 [0,1,0,0,0,0|2,0,1]=4 3705 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000211924_100000210303 [0,1,0,0,0,0|2,0,1]=4 3706 B9R0.38 CCCOCCS(=O)(=O)C 7a_100000211924_100000210303 [0,1,0,0,0,0|2,0,1]=4 3707 B9R0.38 CCCOCC[N+](C)(C)C 34a_100000210258_100000085578 [0,1,0,0,0,0|3,0,0]=4 3708 B9R0.38 CCCOCC[N+](C)(C)C 7a_200020618287_100000210303 [0,1,0,0,0,0|3,0,0]=4 3709 B9R0.38 CCCOCC[Si](C)(C)C 34a_100000210258_200000733723 [0,1,0,0,0,0|2,1,0]=4 3710 B9R0.38 CCCOCC[Si](C)(C)C 7a_100000039746_100000210303 [0,1,0,0,0,0|2,1,0]=4 3711 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [0,1,0,0,0,0|2,0,0]=3 3712 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [0,1,0,0,0,0|2,0,0]=3 3713 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,1,0,0,0,0|1,0,0]=2 3714 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,1,0,0,0,0|1,0,0]=2 3715 B9R0.38 CCCSCCC(F)(F)F 62a_100000210303_100011219754 [0,1,0,0,0,0|3,0,0]=4 3716 B9R0.38 CCCSCCC(F)(F)F 62a_100011219754_100000210303 [0,1,0,0,0,0|3,0,0]=4 3717 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000210303_100000230027 [0,1,0,0,0,0|2,0,1]=4 3718 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000731031_100000210303 [0,1,0,0,0,0|2,0,1]=4 3719 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000085578_100000210303 [0,1,0,0,0,0|3,0,0]=4 3720 B9R0.38 CCCSCC[N+](C)(C)C 62a_100000210303_100000085578 [0,1,0,0,0,0|3,0,0]=4 3721 B9R0.38 CCCSCC[Si](C)(C)C 62a_100000210303_200000733723 [0,1,0,0,0,0|2,1,0]=4 3722 B9R0.38 CCCSCC[Si](C)(C)C 62a_200000733723_100000210303 [0,1,0,0,0,0|2,1,0]=4 3723 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [0,1,0,0,0,0|1,0,0]=2 3724 B9R0.38 CCNCCCC(F)(F)F 2230a_100000727188_100000210202 [0,1,0,0,0,0|3,0,0]=4 3725 B9R0.38 CCNCCCC(F)(F)F 2230a_100015525214_100011215983 [0,1,0,0,0,0|3,0,0]=4 3726 B9R0.38 CCNCCCC(F)(F)F 34a_100000727188_100000210202 [0,1,0,0,0,0|3,0,0]=4 3727 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100000742409_100000210202 [0,1,0,0,0,0|2,0,1]=4 3728 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100015525214_100000754308 [0,1,0,0,0,0|2,0,1]=4 3729 B9R0.38 CCNCCCS(=O)(=O)C 34a_100000742409_100000210202 [0,1,0,0,0,0|2,0,1]=4 3730 B9R0.38 CCNCCC[N+](C)(C)C 2230a_100015525214_100016990835 [0,1,0,0,0,0|3,0,0]=4 3731 B9R0.38 CCNCCC[Si](C)(C)C 2230a_100015525214_100011219597 [0,1,0,0,0,0|2,1,0]=4 3732 B9R0.38 CCNCCOC(C)(C)C 2230a_100000747557_100000210202 [0,1,0,0,0,0|3,0,0]=4 3733 B9R0.38 CCNCCSC(C)(C)C 2230a_100000689375_100000210202 [0,1,0,0,0,0|3,0,0]=4 3734 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,1,0,0,0,0|1,0,0]=2 3735 B9R0.38 CCOCCCC(F)(F)F 34a_100000749235_100000210202 [0,1,0,0,0,0|3,0,0]=4 3736 B9R0.38 CCOCCCC(F)(F)F 34a_100121572206_100011215983 [0,1,0,0,0,0|3,0,0]=4 3737 B9R0.38 CCOCCCS(=O)(=O)C 34a_100000689940_100000210202 [0,1,0,0,0,0|2,0,1]=4 3738 B9R0.38 CCOCCCS(=O)(=O)C 34a_100121572206_100000754308 [0,1,0,0,0,0|2,0,1]=4 3739 B9R0.38 CCOCCCS(=O)(=O)C 7a_100000689940_100000210202 [0,1,0,0,0,0|2,0,1]=4 3740 B9R0.38 CCOCCC[N+](C)(C)C 34a_100121572206_100016990835 [0,1,0,0,0,0|3,0,0]=4 3741 B9R0.38 CCOCCC[Si](C)(C)C 34a_100121572206_100011219597 [0,1,0,0,0,0|2,1,0]=4 3742 B9R0.38 CCOCCC[Si](C)(C)C 7a_200011215415_100000210202 [0,1,0,0,0,0|2,1,0]=4 3743 B9R0.38 CCOCCNC(C)(C)C 2230a_100000715429_100011215890 [0,1,0,0,0,0|3,0,0]=4 3744 B9R0.38 CCOCCNC(C)(C)C 34a_102516460346_100000210625 [0,1,0,0,0,0|3,0,0]=4 3745 B9R0.38 CCOCCOC(C)(C)C 34a_100000210136_100000210625 [0,1,0,0,0,0|3,0,0]=4 3746 B9R0.38 CCOCCOC(C)(C)C 34a_100000693234_100000210202 [0,1,0,0,0,0|3,0,0]=4 3747 B9R0.38 CCOCCOC(C)(C)C 34a_100015890283_100000210147 [0,1,0,0,0,0|3,0,0]=4 3748 B9R0.38 CCOCCOC(C)(C)C 7a_100000693234_100000210202 [0,1,0,0,0,0|3,0,0]=4 3749 B9R0.38 CCOCCOC(C)(C)C 7a_100015890283_100011215890 [0,1,0,0,0,0|3,0,0]=4 3750 B9R0.38 CCOCCSC(C)(C)C 62a_100000210147_100000211941 [0,1,0,0,0,0|3,0,0]=4 3751 B9R0.38 CCOCCSC(C)(C)C 62a_100000211941_100011215890 [0,1,0,0,0,0|3,0,0]=4 3752 B9R0.38 CCOCSCC(C)(C)C 62a_100000739092_100011219605 [0,1,0,0,0,0|3,0,0]=4 3753 B9R0.38 CCOCSCC(C)(C)C 62a_100011219605_100000739092 [0,1,0,0,0,0|3,0,0]=4 3754 B9R0.38 CCOCSCC(C)(C)F 62a_100000739092_100011997219 [0,1,0,0,0,0|3,0,0]=4 3755 B9R0.38 CCOCSCC(C)(C)F 62a_100011997219_100000739092 [0,1,0,0,0,0|3,0,0]=4 3756 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [0,1,0,0,0,0|2,0,0]=3 3757 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [0,1,0,0,0,0|2,0,0]=3 3758 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [0,1,0,0,0,0|1,0,0]=2 3759 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [0,1,0,0,0,0|1,0,0]=2 3760 B9R0.38 CCSCCCC(F)(F)F 62a_100000210202_100011216173 [0,1,0,0,0,0|3,0,0]=4 3761 B9R0.38 CCSCCCC(F)(F)F 62a_100011216173_100000210202 [0,1,0,0,0,0|3,0,0]=4 3762 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000210202_100000754308 [0,1,0,0,0,0|2,0,1]=4 3763 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000754308_100000210202 [0,1,0,0,0,0|2,0,1]=4 3764 B9R0.38 CCSCCC[N+](C)(C)C 62a_100000210202_100016990835 [0,1,0,0,0,0|3,0,0]=4 3765 B9R0.38 CCSCCC[N+](C)(C)C 62a_100016990835_100000210202 [0,1,0,0,0,0|3,0,0]=4 3766 B9R0.38 CCSCCC[Si](C)(C)C 62a_100000210202_100011219597 [0,1,0,0,0,0|2,1,0]=4 3767 B9R0.38 CCSCCC[Si](C)(C)C 62a_100011219597_100000210202 [0,1,0,0,0,0|2,1,0]=4 3768 B9R0.38 CCSCCNC(C)(C)C 2230a_100000715429_100000757381 [0,1,0,0,0,0|3,0,0]=4 3769 B9R0.38 CCSCCOC(C)(C)C 34a_100000212035_100000210625 [0,1,0,0,0,0|3,0,0]=4 3770 B9R0.38 CCSCCOC(C)(C)C 34a_100015890283_100000757381 [0,1,0,0,0,0|3,0,0]=4 3771 B9R0.38 CCSCCOC(C)(C)C 7a_100015890283_100000757381 [0,1,0,0,0,0|3,0,0]=4 3772 B9R0.38 CCSCCSC(C)(C)C 62a_100000211941_100000757381 [0,1,0,0,0,0|3,0,0]=4 3773 B9R0.38 CCSCCSC(C)(C)C 62a_100000757381_100000211941 [0,1,0,0,0,0|3,0,0]=4 3774 B9R0.38 CNCCCCC(F)(F)F 2230a_106832991635_100000692467 [0,1,0,0,0,0|3,0,0]=4 3775 B9R0.38 CNCCCCC(F)(F)F 34a_100102657272_100000692467 [0,1,0,0,0,0|3,0,0]=4 3776 B9R0.38 CNCCCCC(F)(F)F 7a_106832991635_100000692467 [0,1,0,0,0,0|3,0,0]=4 3777 B9R0.38 CNCCCOC(C)(C)C 2230a_100011250582_200000210301 [0,1,0,0,0,0|3,0,0]=4 3778 B9R0.38 CNCCCOC(C)(C)C 34a_100000213112_100000210625 [0,1,0,0,0,0|3,0,0]=4 3779 B9R0.38 COCCCCC(F)(F)F 34a_100000749236_200000210301 [0,1,0,0,0,0|3,0,0]=4 3780 B9R0.38 COCCCCC(F)(F)F 34a_100138415774_100000692467 [0,1,0,0,0,0|3,0,0]=4 3781 B9R0.38 COCCCCC(F)(F)F 7a_100000749236_200000210301 [0,1,0,0,0,0|3,0,0]=4 3782 B9R0.38 COCCCC[Si](C)(C)C 7a_200009881916_200000210301 [0,1,0,0,0,0|2,1,0]=4 3783 B9R0.38 COCCCNC(C)(C)C 2230a_100000715429_100000740836 [0,1,0,0,0,0|3,0,0]=4 3784 B9R0.38 COCCCNC(C)(C)C 34a_100150723488_100000210625 [0,1,0,0,0,0|3,0,0]=4 3785 B9R0.38 COCCCOC(C)(C)C 34a_100000740835_100000210625 [0,1,0,0,0,0|3,0,0]=4 3786 B9R0.38 COCCCOC(C)(C)C 34a_100015890283_100000740836 [0,1,0,0,0,0|3,0,0]=4 3787 B9R0.38 COCCCOC(C)(C)C 7a_100015890283_100000740836 [0,1,0,0,0,0|3,0,0]=4 3788 B9R0.38 COCCCSC(C)(C)C 62a_100000211941_100000709357 [0,1,0,0,0,0|3,0,0]=4 3789 B9R0.38 COCCCSC(C)(C)C 62a_100000709357_100000211941 [0,1,0,0,0,0|3,0,0]=4 3790 B9R0.38 COCCNCC(C)(C)C 2230a_100000743828_100011201679 [0,1,0,0,0,0|3,0,0]=4 3791 B9R0.38 COCCNCC(C)(C)C 270004a_100000209980_100011204126 [0,1,0,0,0,0|3,0,0]=4 3792 B9R0.38 COCCNCC(C)(C)F 2230a_100020643315_100011201679 [0,1,0,0,0,0|3,0,0]=4 3793 B9R0.38 COCCNCC(C)(C)O 2230a_100000751335_100011201679 [0,1,0,0,0,0|2,0,0]=3 3794 B9R0.38 COCCOCC(C)(C)C 34a_100000210237_100011219605 [0,1,0,0,0,0|3,0,0]=4 3795 B9R0.38 COCCOCC(C)(C)F 34a_100000210237_100011997219 [0,1,0,0,0,0|3,0,0]=4 3796 B9R0.38 COCCOCC(C)(C)F 34a_100000716592_100011201679 [0,1,0,0,0,0|3,0,0]=4 3797 B9R0.38 COCCOCC(C)(C)O 34a_100000210237_100000764493 [0,1,0,0,0,0|2,0,0]=3 3798 B9R0.38 COCCOCC(C)(F)F 34a_100000068830_100011201679 [0,1,0,0,0,0|3,0,0]=4 3799 B9R0.38 COCCSCC(C)(C)C 62a_100000233755_100011219605 [0,1,0,0,0,0|3,0,0]=4 3800 B9R0.38 COCCSCC(C)(C)C 62a_100011219605_100000233755 [0,1,0,0,0,0|3,0,0]=4 3801 B9R0.38 COCCSCC(C)(C)F 62a_100000233755_100011997219 [0,1,0,0,0,0|3,0,0]=4 3802 B9R0.38 COCCSCC(C)(C)F 62a_100011997219_100000233755 [0,1,0,0,0,0|3,0,0]=4 3803 B9R0.38 COCCSCC(C)(C)O 62a_100000233755_100000764493 [0,1,0,0,0,0|2,0,0]=3 3804 B9R0.38 COCCSCC(C)(C)O 62a_100000764493_100000233755 [0,1,0,0,0,0|2,0,0]=3 3805 B9R0.38 COCNCCC(C)(C)C 2230a_100000738805_100000766300 [0,1,0,0,0,0|3,0,0]=4 3806 B9R0.38 COCNCCC(C)(C)F 2230a_100016253952_100000766300 [0,1,0,0,0,0|3,0,0]=4 3807 B9R0.38 COCSCCC(C)(C)C 62a_100000755188_100000766300 [0,1,0,0,0,0|3,0,0]=4 3808 B9R0.38 COCSCCC(C)(C)C 62a_100000766300_100000755188 [0,1,0,0,0,0|3,0,0]=4 3809 B9R0.38 COCSCCC(C)(C)O 62a_100000702414_100000766300 [0,1,0,0,0,0|2,0,0]=3 3810 B9R0.38 COCSCCC(C)(C)O 62a_100000766300_100000702414 [0,1,0,0,0,0|2,0,0]=3 3811 B9R0.38 CSCCCCC(F)(F)F 62a_100000692467_200000210301 [0,1,0,0,0,0|3,0,0]=4 3812 B9R0.38 CSCCCCC(F)(F)F 62a_200000210301_100000692467 [0,1,0,0,0,0|3,0,0]=4 3813 B9R0.38 CSCCCOC(C)(C)C 34a_100000690336_100000210625 [0,1,0,0,0,0|3,0,0]=4 3814 B9R0.38 CSCCNCC(C)(C)C 2230a_100000743828_100000751147 [0,1,0,0,0,0|3,0,0]=4 3815 B9R0.38 CSCCNCC(C)(C)C 270004a_100020590264_100011204126 [0,1,0,0,0,0|3,0,0]=4 3816 B9R0.38 CSCCNCC(C)(C)F 2230a_100020643315_100000751147 [0,1,0,0,0,0|3,0,0]=4 3817 B9R0.38 CSCCNCC(C)(C)O 2230a_100000751335_100000751147 [0,1,0,0,0,0|2,0,0]=3 3818 B9R0.38 CSCCOCC(C)(C)C 34a_100000230434_100011219605 [0,1,0,0,0,0|3,0,0]=4 3819 B9R0.38 CSCCOCC(C)(C)F 34a_100000230434_100011997219 [0,1,0,0,0,0|3,0,0]=4 3820 B9R0.38 CSCCOCC(C)(C)F 34a_100000716592_100000212216 [0,1,0,0,0,0|3,0,0]=4 3821 B9R0.38 CSCCOCC(C)(C)O 34a_100000230434_100000764493 [0,1,0,0,0,0|2,0,0]=3 3822 B9R0.38 CSCCOCC(C)(C)O 7a_100000230434_100000764493 [0,1,0,0,0,0|2,0,0]=3 3823 B9R0.38 CSCCOCC(C)(F)F 34a_100000068830_100000212216 [0,1,0,0,0,0|3,0,0]=4 3824 B9R0.38 CSCCSCC(C)(C)C 62a_100000212216_100011219605 [0,1,0,0,0,0|3,0,0]=4 3825 B9R0.38 CSCCSCC(C)(C)C 62a_100011219605_100000751147 [0,1,0,0,0,0|3,0,0]=4 3826 B9R0.38 CSCCSCC(C)(C)F 62a_100000212216_100011997219 [0,1,0,0,0,0|3,0,0]=4 3827 B9R0.38 CSCCSCC(C)(C)F 62a_100011997219_100000751147 [0,1,0,0,0,0|3,0,0]=4 3828 B9R0.38 CSCCSCC(C)(C)O 62a_100000212216_100000764493 [0,1,0,0,0,0|2,0,0]=3 3829 B9R0.38 CSCCSCC(C)(C)O 62a_100000764493_100000751147 [0,1,0,0,0,0|2,0,0]=3 3830 B9R0.38 CSCNCCC(C)(C)C 2230a_100000738805_100011218213 [0,1,0,0,0,0|3,0,0]=4 3831 B9R0.38 CSCNCCC(C)(C)F 2230a_100016253952_100011218213 [0,1,0,0,0,0|3,0,0]=4 3832 B9R0.38 CSCSCCC(C)(C)C 62a_100000755188_100011218213 [0,1,0,0,0,0|3,0,0]=4 3833 B9R0.38 CSCSCCC(C)(C)C 62a_100011218213_100000755188 [0,1,0,0,0,0|3,0,0]=4 3834 B9R0.38 CSCSCCC(C)(C)O 62a_100000702414_100011218213 [0,1,0,0,0,0|2,0,0]=3 3835 B9R0.38 CSCSCCC(C)(C)O 62a_100011218213_100000702414 [0,1,0,0,0,0|2,0,0]=3 3836 B9R0.38 C[Si](C)(C)CCCCO[13CH3] 7a_200009881916_200025704644 [0,1,0,0,0,0|2,1,0]=4 3837 B9R0.38 [13CH3]OCCCCC(F)(F)F 34a_100000749236_200025704644 [0,1,0,0,0,0|3,0,0]=4 3838 B9R0.38 [13CH3]OCCCCC(F)(F)F 7a_100000749236_200025704644 [0,1,0,0,0,0|3,0,0]=4 3839 B9R0.38 [13CH3]SCCCCC(F)(F)F 62a_100000692467_200025704644 [0,1,0,0,0,0|3,0,0]=4 3840 B9R0.38 [13CH3]SCCCCC(F)(F)F 62a_200025704644_100000692467 [0,1,0,0,0,0|3,0,0]=4 3841 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|0,0,3]=4 3842 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,1,0,0,0,0|2,0,0]=3 3843 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,1,0,0,0,0|2,0,0]=3 3844 B9R0.46 C#CC(C)NCCCCF 2230a_100000707721_100000729493 [0,1,0,0,0,0|3,0,0]=4 3845 B9R0.46 C#CC(C)NCCCCF 34a_100000707721_100000729493 [0,1,0,0,0,0|3,0,0]=4 3846 B9R0.46 C#CC(C)NCCCCO 2230a_100000707721_100000210776 [0,1,0,0,0,0|3,0,0]=4 3847 B9R0.46 C#CC(C)NCCCCO 34a_100000707721_100011216708 [0,1,0,0,0,0|3,0,0]=4 3848 B9R0.46 C#CC(C)NCCCCO 34a_100000750430_200000035995 [0,1,0,0,0,0|3,0,0]=4 3849 B9R0.46 C#CC(C)NCCCOC 2230a_100000707721_100000740836 [0,1,0,0,0,0|3,0,0]=4 3850 B9R0.46 C#CC(C)NCCCOC 34a_100000707721_100000740836 [0,1,0,0,0,0|3,0,0]=4 3851 B9R0.46 C#CC(C)NCCCOC 34a_100150723488_200000035995 [0,1,0,0,0,0|3,0,0]=4 3852 B9R0.46 C#CC(C)NCCOCC 2230a_100000707721_100011215890 [0,1,0,0,0,0|3,0,0]=4 3853 B9R0.46 C#CC(C)NCCOCC 34a_100000707721_100000210147 [0,1,0,0,0,0|3,0,0]=4 3854 B9R0.46 C#CC(C)NCCOCC 34a_102516460346_200000035995 [0,1,0,0,0,0|3,0,0]=4 3855 B9R0.46 C#CC(C)NCCSCC 2230a_100000707721_100000757381 [0,1,0,0,0,0|3,0,0]=4 3856 B9R0.46 C#CC(C)NCCSCC 34a_100000707721_100000757381 [0,1,0,0,0,0|3,0,0]=4 3857 B9R0.46 C#CC(C)OCCCCBr 34a_100011216708_200000035995 [0,1,0,0,0,0|3,0,0]=4 3858 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,1,0,0,0,0|2,0,0]=3 3859 B9R0.46 C#CC(C)OCCCCCl 34a_100000210776_200000035995 [0,1,0,0,0,0|3,0,0]=4 3860 B9R0.46 C#CC(C)OCCCCF 34a_100011995726_200000035995 [0,1,0,0,0,0|3,0,0]=4 3861 B9R0.46 C#CC(C)OCCCCI 34a_200012148704_200000035995 [0,1,0,0,0,0|3,0,0]=4 3862 B9R0.46 C#CC(C)OCCCCN 34a_100000750430_200000035995 [0,1,0,0,0,0|3,0,0]=4 3863 B9R0.46 C#CC(C)OCCCNC 34a_100000213112_200000035995 [0,1,0,0,0,0|3,0,0]=4 3864 B9R0.46 C#CC(C)OCCCOC 34a_100000740835_200000035995 [0,1,0,0,0,0|3,0,0]=4 3865 B9R0.46 C#CC(C)OCCCSC 34a_100000690336_200000035995 [0,1,0,0,0,0|3,0,0]=4 3866 B9R0.46 C#CC(C)OCCOCC 34a_100000210136_200000035995 [0,1,0,0,0,0|3,0,0]=4 3867 B9R0.46 C#CC(C)OCCSCC 34a_100000212035_200000035995 [0,1,0,0,0,0|3,0,0]=4 3868 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,1,0,0,0,0|2,0,0]=3 3869 B9R0.46 C#CC(C)SCCCCF 62a_200000035995_100000729493 [0,1,0,0,0,0|3,0,0]=4 3870 B9R0.46 C#CC(C)SCCCCO 62a_200000035995_100000210776 [0,1,0,0,0,0|3,0,0]=4 3871 B9R0.46 C#CC(C)SCCCOC 62a_200000035995_100000709357 [0,1,0,0,0,0|3,0,0]=4 3872 B9R0.46 C#CC(C)SCCOCC 62a_200000035995_100011215890 [0,1,0,0,0,0|3,0,0]=4 3873 B9R0.46 C#CC(C)SCCSCC 62a_200000035995_100000757381 [0,1,0,0,0,0|3,0,0]=4 3874 B9R0.46 C#CCCCNC(C)CO 34a_100000718082_100012180447 [0,1,0,0,0,0|1,0,2]=4 3875 B9R0.46 C#CCCCN[C@H](C)CO 2230a_100000737577_100000731252 [0,1,0,0,0,0|1,0,2]=4 3876 B9R0.46 C#CCCCOC(C)CO 34a_100000215630_100012180447 [0,1,0,0,0,0|1,0,2]=4 3877 B9R0.46 C#CCCCOC(C)CO 7a_100000215630_100012180447 [0,1,0,0,0,0|1,0,2]=4 3878 B9R0.46 C#CCCCSC(C)CO 62a_100012180447_100011215417 [0,1,0,0,0,0|1,0,2]=4 3879 B9R0.46 C#CCCCSC(C)OC 62a_100009879195_100011215417 [0,1,0,0,0,0|1,0,2]=4 3880 B9R0.46 C#CCCCSC(C)OC 62a_100011215417_100009879195 [0,1,0,0,0,0|1,0,2]=4 3881 B9R0.46 C#CCCCS[C@H](C)CO 62a_100011215417_100016084084 [0,1,0,0,0,0|1,0,2]=4 3882 B9R0.46 C#CCCCS[C@H](C)CO 62a_100016084084_100011215417 [0,1,0,0,0,0|1,0,2]=4 3883 B9R0.46 C#CCCNCC(C)CO 34a_100000744482_100000688953 [0,1,0,0,0,0|1,0,2]=4 3884 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,1,0,0,0,0|1,0,2]=4 3885 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,1,0,0,0,0|1,0,2]=4 3886 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,1,0,0,0,0|1,0,2]=4 3887 B9R0.46 C#CCCNC[C@@H](C)CO 34a_100000755551_100000059175 [0,1,0,0,0,0|1,0,2]=4 3888 B9R0.46 C#CCCNC[C@@H](C)OC 2230a_100020591295_100000688953 [0,1,0,0,0,0|1,0,2]=4 3889 B9R0.46 C#CCCNC[C@@H](O)CF 34a_100000755551_100015614560 [0,1,0,0,0,0|1,0,2]=4 3890 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,1,0,0,0,0|1,0,2]=4 3891 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,1,0,0,0,0|1,0,2]=4 3892 B9R0.46 C#CCCOCC(C)OC 34a_100000690652_100000688953 [0,1,0,0,0,0|1,0,2]=4 3893 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,1,0,0,0,0|1,0,2]=4 3894 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,1,0,0,0,0|1,0,2]=4 3895 B9R0.46 C#CCCOC[C@@H](C)CO 34a_100011215631_100000059175 [0,1,0,0,0,0|1,0,2]=4 3896 B9R0.46 C#CCCOC[C@@H](O)CF 34a_100011215631_100015614560 [0,1,0,0,0,0|1,0,2]=4 3897 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,1,0,0,0,0|1,0,2]=4 3898 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,1,0,0,0,0|1,0,2]=4 3899 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,1,0,0,0,0|1,0,2]=4 3900 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,1,0,0,0,0|1,0,2]=4 3901 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,1,0,0,0,0|1,0,2]=4 3902 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000059175_100000688953 [0,1,0,0,0,0|1,0,2]=4 3903 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000688953_100000059175 [0,1,0,0,0,0|1,0,2]=4 3904 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100000688953_100015614560 [0,1,0,0,0,0|1,0,2]=4 3905 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100015614560_100000688953 [0,1,0,0,0,0|1,0,2]=4 3906 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,1,0,0,0,0|1,0,2]=4 3907 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,1,0,0,0,0|1,0,2]=4 3908 B9R0.46 C#CCNCCC(C)CO 2230a_106354213184_100000038162 [0,1,0,0,0,0|1,0,2]=4 3909 B9R0.46 C#CCNCCC(C)CO 34a_106354213184_100000184674 [0,1,0,0,0,0|1,0,2]=4 3910 B9R0.46 C#CCOCCC(C)OC 7a_100000764861_100000038162 [0,1,0,0,0,0|1,0,2]=4 3911 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,1,0,0,0,0|2,0,0]=3 3912 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,1,0,0,0,0|2,0,0]=3 3913 B9R0.46 C#C[C@@H](C)OCCCCF 34a_100009815206_100000729493 [0,1,0,0,0,0|3,0,0]=4 3914 B9R0.46 C#C[C@@H](C)OCCCCF 7a_100009815206_100000729493 [0,1,0,0,0,0|3,0,0]=4 3915 B9R0.46 C#C[C@@H](C)OCCCCO 34a_100009815206_100011216708 [0,1,0,0,0,0|3,0,0]=4 3916 B9R0.46 C#C[C@@H](C)OCCCCO 7a_100009815206_100000210776 [0,1,0,0,0,0|3,0,0]=4 3917 B9R0.46 C#C[C@@H](C)OCCCOC 34a_100009815206_100000740836 [0,1,0,0,0,0|3,0,0]=4 3918 B9R0.46 C#C[C@@H](C)OCCCOC 7a_100009815206_100000740836 [0,1,0,0,0,0|3,0,0]=4 3919 B9R0.46 C#C[C@@H](C)OCCOCC 34a_100009815206_100000210147 [0,1,0,0,0,0|3,0,0]=4 3920 B9R0.46 C#C[C@@H](C)OCCOCC 7a_100009815206_100011215890 [0,1,0,0,0,0|3,0,0]=4 3921 B9R0.46 C#C[C@@H](C)OCCSCC 34a_100009815206_100000757381 [0,1,0,0,0,0|3,0,0]=4 3922 B9R0.46 C#C[C@@H](C)OCCSCC 7a_100009815206_100000757381 [0,1,0,0,0,0|3,0,0]=4 3923 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [0,1,0,0,0,0|1,0,2]=4 3924 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [0,1,0,0,0,0|1,0,2]=4 3925 B9R0.46 C/C=C/COCC(C)OC 34a_100000690652_100102629194 [0,1,0,0,0,0|1,0,2]=4 3926 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,1,0,0,0,0|1,0,2]=4 3927 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,1,0,0,0,0|1,0,2]=4 3928 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [0,1,0,0,0,0|1,0,2]=4 3929 B9R0.46 C/C=C/COC[C@@H](O)CF 34a_100016270725_100015614560 [0,1,0,0,0,0|1,0,2]=4 3930 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,1,0,0,0,0|1,0,2]=4 3931 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,1,0,0,0,0|1,0,2]=4 3932 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,1,0,0,0,0|1,0,2]=4 3933 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,1,0,0,0,0|1,0,2]=4 3934 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,1,0,0,0,0|1,0,2]=4 3935 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,1,0,0,0,0|1,0,2]=4 3936 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,1,0,0,0,0|1,0,2]=4 3937 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100015614560_100102629194 [0,1,0,0,0,0|1,0,2]=4 3938 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100102629194_100015614560 [0,1,0,0,0,0|1,0,2]=4 3939 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,1,0,0,0,0|1,0,2]=4 3940 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,1,0,0,0,0|1,0,2]=4 3941 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|0,0,3]=4 3942 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,1,0,0,0,0|2,0,0]=3 3943 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,1,0,0,0,0|2,0,0]=3 3944 B9R0.46 C=CC(C)COCCCF 34a_100011215527_100011934791 [0,1,0,0,0,0|3,0,0]=4 3945 B9R0.46 C=CC(C)COCCCF 7a_100011215527_100011934791 [0,1,0,0,0,0|3,0,0]=4 3946 B9R0.46 C=CC(C)COCCCO 34a_100011215527_100000230001 [0,1,0,0,0,0|3,0,0]=4 3947 B9R0.46 C=CC(C)COCCCO 7a_100011215527_100011215043 [0,1,0,0,0,0|3,0,0]=4 3948 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [0,1,0,0,0,0|3,0,0]=4 3949 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [0,1,0,0,0,0|3,0,0]=4 3950 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [0,1,0,0,0,0|3,0,0]=4 3951 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [0,1,0,0,0,0|3,0,0]=4 3952 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,0,0,0,0|2,0,0]=3 3953 B9R0.46 C=CC(C)OCCCCF 34a_100000695699_100000729493 [0,1,0,0,0,0|3,0,0]=4 3954 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [0,1,0,0,0,0|3,0,0]=4 3955 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [0,1,0,0,0,0|3,0,0]=4 3956 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [0,1,0,0,0,0|3,0,0]=4 3957 B9R0.46 C=CC(C)OCCSCC 34a_100000695699_100000757381 [0,1,0,0,0,0|3,0,0]=4 3958 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,1,0,0,0,0|2,0,0]=3 3959 B9R0.46 C=CC(C)SCCCCF 62a_100011215867_100000729493 [0,1,0,0,0,0|3,0,0]=4 3960 B9R0.46 C=CC(C)SCCCCO 62a_100011215867_100000210776 [0,1,0,0,0,0|3,0,0]=4 3961 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [0,1,0,0,0,0|3,0,0]=4 3962 B9R0.46 C=CC(C)SCCOCC 62a_100011215867_100011215890 [0,1,0,0,0,0|3,0,0]=4 3963 B9R0.46 C=CC(C)SCCSCC 62a_100011215867_100000757381 [0,1,0,0,0,0|3,0,0]=4 3964 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|1,0,1]=3 3965 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|1,0,1]=3 3966 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,1,0,0,0,0|2,0,1]=4 3967 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,1,0,0,0,0|2,0,1]=4 3968 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,1,0,0,0,0|2,0,1]=4 3969 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,1,0,0,0,0|2,0,1]=4 3970 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,1,0,0,0,0|2,0,1]=4 3971 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|1,0,1]=3 3972 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|1,0,1]=3 3973 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,1,0,0,0,0|2,0,1]=4 3974 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,1,0,0,0,0|2,0,1]=4 3975 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,1,0,0,0,0|2,0,1]=4 3976 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,1,0,0,0,0|2,0,1]=4 3977 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,1,0,0,0,0|2,0,1]=4 3978 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,1,0,0,0,0|2,0,1]=4 3979 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|1,0,1]=3 3980 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|1,0,1]=3 3981 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,1,0,0,0,0|2,0,1]=4 3982 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,1,0,0,0,0|2,0,1]=4 3983 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,1,0,0,0,0|2,0,1]=4 3984 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,1,0,0,0,0|2,0,1]=4 3985 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,1,0,0,0,0|2,0,1]=4 3986 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,1,0,0,0,0|2,0,1]=4 3987 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,1,0,0,0,0|2,0,1]=4 3988 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,1,0,0,0,0|2,0,1]=4 3989 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,1,0,0,0,0|2,0,1]=4 3990 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,1,0,0,0,0|2,0,1]=4 3991 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,1,0,0,0,0|1,0,2]=4 3992 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,1,0,0,0,0|1,0,2]=4 3993 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,1,0,0,0,0|1,0,2]=4 3994 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,1,0,0,0,0|1,0,2]=4 3995 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,1,0,0,0,0|1,0,2]=4 3996 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,1,0,0,0,0|1,0,2]=4 3997 B9R0.46 C=CCCCSC(C)OC 62a_100009879195_100000757094 [0,1,0,0,0,0|1,0,2]=4 3998 B9R0.46 C=CCCCSC(C)OC 62a_100011713584_100009879195 [0,1,0,0,0,0|1,0,2]=4 3999 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,1,0,0,0,0|1,0,2]=4 4000 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,1,0,0,0,0|1,0,2]=4 4001 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,1,0,0,0,0|1,0,2]=4 4002 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,1,0,0,0,0|1,0,2]=4 4003 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,1,0,0,0,0|1,0,2]=4 4004 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,1,0,0,0,0|1,0,2]=4 4005 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,1,0,0,0,0|1,0,2]=4 4006 B9R0.46 C=CCCNC[C@@H](C)OC 2230a_100020591295_100000754431 [0,1,0,0,0,0|1,0,2]=4 4007 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,1,0,0,0,0|1,0,2]=4 4008 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,1,0,0,0,0|1,0,2]=4 4009 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,1,0,0,0,0|1,0,2]=4 4010 B9R0.46 C=CCCOCC(C)OC 34a_100000690652_100000754431 [0,1,0,0,0,0|1,0,2]=4 4011 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,0,0,0,0|1,0,2]=4 4012 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,1,0,0,0,0|1,0,2]=4 4013 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,1,0,0,0,0|1,0,2]=4 4014 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,1,0,0,0,0|1,0,2]=4 4015 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,1,0,0,0,0|1,0,2]=4 4016 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,1,0,0,0,0|1,0,2]=4 4017 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,1,0,0,0,0|1,0,2]=4 4018 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,1,0,0,0,0|1,0,2]=4 4019 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,1,0,0,0,0|1,0,2]=4 4020 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,1,0,0,0,0|1,0,2]=4 4021 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,1,0,0,0,0|1,0,2]=4 4022 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100000754431_100015614560 [0,1,0,0,0,0|1,0,2]=4 4023 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100015614560_100000754431 [0,1,0,0,0,0|1,0,2]=4 4024 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,1,0,0,0,0|1,0,2]=4 4025 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,1,0,0,0,0|1,0,2]=4 4026 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,1,0,0,0,0|1,0,2]=4 4027 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,1,0,0,0,0|1,0,2]=4 4028 B9R0.46 C=CCOCCC(C)OC 7a_100000764861_100015514636 [0,1,0,0,0,0|1,0,2]=4 4029 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,1,0,0,0,0|2,0,1]=4 4030 B9R0.46 CC#CCCOC(C)CO 34a_100000750427_100012180447 [0,1,0,0,0,0|1,0,2]=4 4031 B9R0.46 CC#CCNCC(C)CO 34a_100000744482_100000748600 [0,1,0,0,0,0|1,0,2]=4 4032 B9R0.46 CC#CCNCC(O)CC 2230a_100000685387_100011218378 [0,1,0,0,0,0|1,0,2]=4 4033 B9R0.46 CC#CCNCC(O)CC 2230a_100011218483_100000748600 [0,1,0,0,0,0|1,0,2]=4 4034 B9R0.46 CC#CCNCC(O)CC 34a_100000685387_100011218378 [0,1,0,0,0,0|1,0,2]=4 4035 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,1,0,0,0,0|1,0,2]=4 4036 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,1,0,0,0,0|1,0,2]=4 4037 B9R0.46 CC#CCNC[C@@H](C)CO 2230a_100000685387_100000059175 [0,1,0,0,0,0|1,0,2]=4 4038 B9R0.46 CC#CCNC[C@@H](C)CO 34a_100000685387_100000059175 [0,1,0,0,0,0|1,0,2]=4 4039 B9R0.46 CC#CCNC[C@@H](C)OC 2230a_100020591295_100000748600 [0,1,0,0,0,0|1,0,2]=4 4040 B9R0.46 CC#CCNC[C@@H](O)CF 2230a_100000685387_100015614560 [0,1,0,0,0,0|1,0,2]=4 4041 B9R0.46 CC#CCNC[C@@H](O)CF 34a_100000685387_100015614560 [0,1,0,0,0,0|1,0,2]=4 4042 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,1,0,0,0,0|1,0,2]=4 4043 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,1,0,0,0,0|1,0,2]=4 4044 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,1,0,0,0,0|1,0,2]=4 4045 B9R0.46 CC#CCOCC(C)OC 34a_100000690652_100000748600 [0,1,0,0,0,0|1,0,2]=4 4046 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [0,1,0,0,0,0|1,0,2]=4 4047 B9R0.46 CC#CCOCC(O)CO 34a_100000761923_100011219619 [0,1,0,0,0,0|1,0,2]=4 4048 B9R0.46 CC#CCOC[C@@H](C)CO 34a_100000761923_100000059175 [0,1,0,0,0,0|1,0,2]=4 4049 B9R0.46 CC#CCOC[C@@H](O)CF 34a_100000761923_100015614560 [0,1,0,0,0,0|1,0,2]=4 4050 B9R0.46 CC#CCOC[C@@H](O)CO 34a_100000761923_100009815848 [0,1,0,0,0,0|1,0,2]=4 4051 B9R0.46 CC#CCSCC(O)CC 62a_100000748600_100011218378 [0,1,0,0,0,0|1,0,2]=4 4052 B9R0.46 CC#CCSCC(O)CC 62a_100011218378_100000748600 [0,1,0,0,0,0|1,0,2]=4 4053 B9R0.46 CC#CCSCC(O)CO 62a_100000748600_100011219619 [0,1,0,0,0,0|1,0,2]=4 4054 B9R0.46 CC#CCSCC(O)CO 62a_100011219619_100000748600 [0,1,0,0,0,0|1,0,2]=4 4055 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000059175_100000748600 [0,1,0,0,0,0|1,0,2]=4 4056 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000748600_100000059175 [0,1,0,0,0,0|1,0,2]=4 4057 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100000748600_100015614560 [0,1,0,0,0,0|1,0,2]=4 4058 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100015614560_100000748600 [0,1,0,0,0,0|1,0,2]=4 4059 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100000748600_100009815848 [0,1,0,0,0,0|1,0,2]=4 4060 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100009815848_100000748600 [0,1,0,0,0,0|1,0,2]=4 4061 B9R0.46 CC(C#N)NCCCCF 2230a_100000737613_100000729493 [0,1,0,0,0,0|3,0,0]=4 4062 B9R0.46 CC(C#N)NCCCCO 2230a_100000737613_100000210776 [0,1,0,0,0,0|3,0,0]=4 4063 B9R0.46 CC(C#N)NCCCCO 2230a_100000750430_100000184139 [0,1,0,0,0,0|3,0,0]=4 4064 B9R0.46 CC(C#N)OCCCCCl 7a_100000210776_100000703298 [0,1,0,0,0,0|3,0,0]=4 4065 B9R0.46 CC(C#N)OCCCCF 34a_100011218135_100000729493 [0,1,0,0,0,0|3,0,0]=4 4066 B9R0.46 CC(C#N)OCCCCF 7a_100011995726_100000703298 [0,1,0,0,0,0|3,0,0]=4 4067 B9R0.46 CC(C#N)OCCCCO 34a_100011218135_100011216708 [0,1,0,0,0,0|3,0,0]=4 4068 B9R0.46 CC(C#N)SCCCCF 62a_100000703298_100000729493 [0,1,0,0,0,0|3,0,0]=4 4069 B9R0.46 CC(C#N)SCCCCF 62a_100000729493_100000703298 [0,1,0,0,0,0|3,0,0]=4 4070 B9R0.46 CC(C#N)SCCCCO 62a_100000210776_100000703298 [0,1,0,0,0,0|3,0,0]=4 4071 B9R0.46 CC(C#N)SCCCCO 62a_100000703298_100000210776 [0,1,0,0,0,0|3,0,0]=4 4072 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [0,1,0,0,0,0|3,0,0]=4 4073 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [0,1,0,0,0,0|3,0,0]=4 4074 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,1,0,0,0,0|3,0,0]=4 4075 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,1,0,0,0,0|3,0,0]=4 4076 B9R0.46 CC(CN)COCCCF 34a_100000744482_100011934791 [0,1,0,0,0,0|3,0,0]=4 4077 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,1,0,0,0,0|3,0,0]=4 4078 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|3,0,0]=4 4079 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|3,0,0]=4 4080 B9R0.46 CC(CO)CCNCC#N 2230a_106354213184_100011215382 [0,1,0,0,0,0|2,0,1]=4 4081 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,1,0,0,0,0|2,0,1]=4 4082 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,1,0,0,0,0|2,0,1]=4 4083 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,1,0,0,0,0|2,0,0]=3 4084 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,1,0,0,0,0|2,0,0]=3 4085 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,1,0,0,0,0|2,0,0]=3 4086 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|2,0,0]=3 4087 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,1,0,0,0,0|2,0,0]=3 4088 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,1,0,0,0,0|2,0,0]=3 4089 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,1,0,0,0,0|2,0,0]=3 4090 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,0]=3 4091 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [0,1,0,0,0,0|2,0,0]=3 4092 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [0,1,0,0,0,0|2,0,0]=3 4093 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [0,1,0,0,0,0|2,0,0]=3 4094 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [0,1,0,0,0,0|2,0,0]=3 4095 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [0,1,0,0,0,0|2,0,0]=3 4096 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,1,0,0,0,0|2,0,0]=3 4097 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,0]=3 4098 B9R0.46 CC(CO)SCCCC#N 62a_100012180447_100000687738 [0,1,0,0,0,0|2,0,1]=4 4099 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,1,0,0,0,0|2,0,1]=4 4100 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,1,0,0,0,0|2,0,0]=3 4101 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,1,0,0,0,0|2,0,0]=3 4102 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,1,0,0,0,0|1,0,2]=4 4103 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,1,0,0,0,0|1,0,2]=4 4104 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,1,0,0,0,0|1,0,2]=4 4105 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [0,1,0,0,0,0|1,0,2]=4 4106 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [0,1,0,0,0,0|1,0,2]=4 4107 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,1,0,0,0,0|1,0,2]=4 4108 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,1,0,0,0,0|1,0,2]=4 4109 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [0,1,0,0,0,0|1,0,2]=4 4110 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,1,0,0,0,0|1,0,2]=4 4111 B9R0.46 CC=CCNC[C@@H](C)OC 2230a_100020591295_100000070051 [0,1,0,0,0,0|1,0,2]=4 4112 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,1,0,0,0,0|1,0,2]=4 4113 B9R0.46 CC=CCOCC(C)OC 34a_100000690652_100000070051 [0,1,0,0,0,0|1,0,2]=4 4114 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,1,0,0,0,0|1,0,2]=4 4115 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,1,0,0,0,0|1,0,2]=4 4116 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,1,0,0,0,0|1,0,2]=4 4117 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,1,0,0,0,0|1,0,2]=4 4118 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,1,0,0,0,0|1,0,2]=4 4119 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,1,0,0,0,0|1,0,2]=4 4120 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100000070051_100015614560 [0,1,0,0,0,0|1,0,2]=4 4121 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100015614560_100000070051 [0,1,0,0,0,0|1,0,2]=4 4122 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,1,0,0,0,0|1,0,2]=4 4123 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,1,0,0,0,0|1,0,2]=4 4124 B9R0.46 CCC#CCN[C@H](C)CO 2230a_100000737577_100009813939 [0,1,0,0,0,0|1,0,2]=4 4125 B9R0.46 CCC#CCOC(C)CO 34a_100000032950_100012180447 [0,1,0,0,0,0|1,0,2]=4 4126 B9R0.46 CCC#CCSC(C)CO 62a_100012180447_100009813939 [0,1,0,0,0,0|1,0,2]=4 4127 B9R0.46 CCC#CCSC(C)OC 62a_100009813939_100009879195 [0,1,0,0,0,0|1,0,2]=4 4128 B9R0.46 CCC#CCSC(C)OC 62a_100009879195_100009813939 [0,1,0,0,0,0|1,0,2]=4 4129 B9R0.46 CCC#CCS[C@H](C)CO 62a_100009813939_100016084084 [0,1,0,0,0,0|1,0,2]=4 4130 B9R0.46 CCC#CCS[C@H](C)CO 62a_100016084084_100009813939 [0,1,0,0,0,0|1,0,2]=4 4131 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,2]=4 4132 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|1,0,2]=4 4133 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|1,0,2]=4 4134 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,0,2]=4 4135 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|3,0,0]=4 4136 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,1,0,0,0,0|3,0,0]=4 4137 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,0,0,0,0|3,0,0]=4 4138 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,1,0,0,0,0|3,0,0]=4 4139 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,1,0,0,0,0|3,0,0]=4 4140 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,1,0,0,0,0|3,0,0]=4 4141 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,1,0,0,0,0|3,0,0]=4 4142 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,1,0,0,0,0|3,0,0]=4 4143 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,1,0,0,0,0|3,0,0]=4 4144 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,1,0,0,0,0|3,0,0]=4 4145 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,1,0,0,0,0|3,0,0]=4 4146 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,0,0,0,0|3,0,0]=4 4147 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,0,0,0,0|3,0,0]=4 4148 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,1,0,0,0,0|3,0,0]=4 4149 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,1,0,0,0,0|3,0,0]=4 4150 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,1,0,0,0,0|3,0,0]=4 4151 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,1,0,0,0,0|3,0,0]=4 4152 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,1,0,0,0,0|3,0,0]=4 4153 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,1,0,0,0,0|3,0,0]=4 4154 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,1,0,0,0,0|3,0,0]=4 4155 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,1,0,0,0,0|3,0,0]=4 4156 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,1,0,0,0,0|3,0,0]=4 4157 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,1,0,0,0,0|3,0,0]=4 4158 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,1,0,0,0,0|3,0,0]=4 4159 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,1,0,0,0,0|3,0,0]=4 4160 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,1,0,0,0,0|3,0,0]=4 4161 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,1,0,0,0,0|3,0,0]=4 4162 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,1,0,0,0,0|3,0,0]=4 4163 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,1,0,0,0,0|3,0,0]=4 4164 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,1,0,0,0,0|3,0,0]=4 4165 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,1,0,0,0,0|3,0,0]=4 4166 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,1,0,0,0,0|3,0,0]=4 4167 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,1,0,0,0,0|3,0,0]=4 4168 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,1,0,0,0,0|3,0,0]=4 4169 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,1,0,0,0,0|3,0,0]=4 4170 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,1,0,0,0,0|3,0,0]=4 4171 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,1,0,0,0,0|3,0,0]=4 4172 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,1,0,0,0,0|3,0,0]=4 4173 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,1,0,0,0,0|3,0,0]=4 4174 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,1,0,0,0,0|3,0,0]=4 4175 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,1,0,0,0,0|3,0,0]=4 4176 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,1,0,0,0,0|3,0,0]=4 4177 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,1,0,0,0,0|3,0,0]=4 4178 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,1,0,0,0,0|3,0,0]=4 4179 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,1,0,0,0,0|3,0,0]=4 4180 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,1,0,0,0,0|3,0,0]=4 4181 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,1,0,0,0,0|3,0,0]=4 4182 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,1,0,0,0,0|3,0,0]=4 4183 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,1,0,0,0,0|3,0,0]=4 4184 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,0,0,0,0|3,0,0]=4 4185 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,1,0,0,0,0|3,0,0]=4 4186 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,0,0,0,0|3,0,0]=4 4187 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,0,0,0,0|3,0,0]=4 4188 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,1,0,0,0,0|3,0,0]=4 4189 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,1,0,0,0,0|3,0,0]=4 4190 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,1,0,0,0,0|3,0,0]=4 4191 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,1,0,0,0,0|3,0,0]=4 4192 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,1,0,0,0,0|3,0,0]=4 4193 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,1,0,0,0,0|3,0,0]=4 4194 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,1,0,0,0,0|3,0,0]=4 4195 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,1,0,0,0,0|3,0,0]=4 4196 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,1,0,0,0,0|2,0,1]=4 4197 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,1,0,0,0,0|2,0,0]=3 4198 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,1,0,0,0,0|2,0,0]=3 4199 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,1,0,0,0,0|2,0,0]=3 4200 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|2,0,0]=3 4201 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,1,0,0,0,0|2,0,0]=3 4202 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,1,0,0,0,0|2,0,0]=3 4203 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,1,0,0,0,0|2,0,0]=3 4204 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,1,0,0,0,0|2,0,0]=3 4205 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,0,0,0,0|2,0,0]=3 4206 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,0,0,0,0|2,0,0]=3 4207 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,0,0,0,0|2,0,0]=3 4208 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,0,0,0,0|2,0,0]=3 4209 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,0,0,0,0|2,0,0]=3 4210 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,0,0,0,0|3,0,0]=4 4211 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,0,0,0,0|2,0,0]=3 4212 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,0,0,0,0|2,0,0]=3 4213 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,1,0,0,0,0|2,0,1]=4 4214 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,1,0,0,0,0|2,0,1]=4 4215 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,1,0,0,0,0|2,0,0]=3 4216 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,1,0,0,0,0|2,0,0]=3 4217 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|2,0,0]=3 4218 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|2,0,0]=3 4219 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,1,0,0,0,0|2,0,0]=3 4220 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,1,0,0,0,0|2,0,0]=3 4221 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,1,0,0,0,0|2,0,0]=3 4222 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,1,0,0,0,0|2,0,0]=3 4223 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [0,1,0,0,0,0|2,0,1]=4 4224 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|0,0,2]=3 4225 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|0,0,2]=3 4226 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|0,0,2]=3 4227 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,2]=3 4228 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|0,0,2]=3 4229 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|0,0,2]=3 4230 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|0,0,2]=3 4231 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|0,0,2]=3 4232 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|1,0,0]=2 4233 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|1,0,0]=2 4234 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|1,0,0]=2 4235 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|1,0,0]=2 4236 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|1,0,0]=2 4237 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|1,0,0]=2 4238 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|1,0,0]=2 4239 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|1,0,0]=2 4240 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|0,0,0]=1 4241 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|0,0,0]=1 4242 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|0,0,0]=1 4243 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|0,0,0]=1 4244 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|0,0,0]=1 4245 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|0,1,0]=2 4246 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|0,1,0]=2 4247 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|0,1,0]=2 4248 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|0,1,0]=2 4249 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,0]=3 4250 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,0]=3 4251 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,0]=3 4252 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,0]=3 4253 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|2,0,0]=3 4254 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 4255 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 4256 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 4257 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 4258 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,2]=4 4259 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,2]=4 4260 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,2]=4 4261 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 4262 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 4263 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 4264 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 4265 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,2]=4 4266 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,1,0,0,0,0|2,0,0]=3 4267 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,1,0,0,0,0|2,0,0]=3 4268 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|2,0,0]=3 4269 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|2,0,0]=3 4270 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|1,0,0]=2 4271 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|1,0,0]=2 4272 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,1,0,0,0,0|2,0,0]=3 4273 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,1,0,0,0,0|2,0,0]=3 4274 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,0]=3 4275 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,0]=3 4276 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,0]=3 4277 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,0]=3 4278 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,0]=3 4279 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,0]=3 4280 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|1,0,0]=2 4281 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|1,0,0]=2 4282 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,1,0,0,0,0|2,0,0]=3 4283 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,1,0,0,0,0|2,0,0]=3 4284 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|2,0,0]=3 4285 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|2,0,0]=3 4286 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|1,0,0]=2 4287 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|1,0,0]=2 4288 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|1,0,0]=2 4289 B9R0.46 CCCCCSC(F)C#N 62a_100000210326_200000117898 [0,1,0,0,0,0|2,0,1]=4 4290 B9R0.46 CCCCCSC(F)C#N 62a_200000117898_100000210326 [0,1,0,0,0,0|2,0,1]=4 4291 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|1,0,0]=2 4292 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|1,0,0]=2 4293 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|1,0,2]=4 4294 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,2]=4 4295 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,2]=4 4296 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,2]=4 4297 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,2]=4 4298 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,2]=4 4299 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|2,0,0]=3 4300 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|2,0,0]=3 4301 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|2,0,0]=3 4302 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|2,0,0]=3 4303 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|1,0,0]=2 4304 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|1,0,0]=2 4305 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|1,0,0]=2 4306 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|1,0,0]=2 4307 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,0]=2 4308 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,0]=2 4309 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|2,0,0]=3 4310 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|2,0,0]=3 4311 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|1,0,0]=2 4312 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|1,0,0]=2 4313 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|1,0,0]=2 4314 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,0]=3 4315 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|1,0,0]=2 4316 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|1,0,0]=2 4317 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,0]=2 4318 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,0]=2 4319 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,0]=2 4320 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|2,0,1]=4 4321 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|1,0,2]=4 4322 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|1,0,2]=4 4323 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|1,0,2]=4 4324 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|1,0,2]=4 4325 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|1,0,2]=4 4326 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,2]=4 4327 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,2]=4 4328 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 4329 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 4330 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,2]=4 4331 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,2]=4 4332 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,2]=4 4333 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,2]=4 4334 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,2]=4 4335 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,2]=4 4336 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|2,0,0]=3 4337 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|2,0,0]=3 4338 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,0]=3 4339 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|1,0,0]=2 4340 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|1,0,0]=2 4341 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|1,0,0]=2 4342 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|1,0,0]=2 4343 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|1,0,0]=2 4344 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,1,0,0,0,0|2,0,0]=3 4345 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|1,0,0]=2 4346 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|1,0,0]=2 4347 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,0]=2 4348 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,0]=2 4349 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 4350 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 4351 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|2,0,0]=3 4352 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|2,0,0]=3 4353 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|2,0,0]=3 4354 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|1,0,0]=2 4355 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|1,0,0]=2 4356 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|1,0,0]=2 4357 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|1,0,0]=2 4358 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,0]=2 4359 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,0]=2 4360 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,0]=3 4361 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|1,0,2]=4 4362 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|1,0,2]=4 4363 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|1,0,2]=4 4364 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|1,0,2]=4 4365 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,2]=4 4366 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 4367 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 4368 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,2]=4 4369 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,2]=4 4370 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,2]=4 4371 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,2]=4 4372 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,2]=4 4373 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|2,0,0]=3 4374 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|2,0,0]=3 4375 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|1,0,0]=2 4376 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|1,0,0]=2 4377 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,0]=2 4378 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,0]=2 4379 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|2,0,0]=3 4380 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|2,0,0]=3 4381 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|1,0,0]=2 4382 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|1,0,0]=2 4383 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|1,0,0]=2 4384 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|1,0,0]=2 4385 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,0]=2 4386 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,0]=2 4387 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 4388 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,2]=4 4389 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|2,0,0]=3 4390 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|1,0,0]=2 4391 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|1,0,0]=2 4392 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [0,1,0,0,0,0|2,0,1]=4 4393 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|2,0,1]=4 4394 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|1,0,2]=4 4395 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,2]=4 4396 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,2]=4 4397 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,2]=4 4398 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,2]=4 4399 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|2,0,0]=3 4400 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|1,0,0]=2 4401 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 4402 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 4403 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,2]=4 4404 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,2]=4 4405 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,2]=4 4406 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,2]=4 4407 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|3,0,0]=4 4408 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|3,0,0]=4 4409 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|3,0,0]=4 4410 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|3,0,0]=4 4411 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|3,0,0]=4 4412 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|3,0,0]=4 4413 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 4414 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 4415 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 4416 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,2]=4 4417 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,2]=4 4418 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,2]=4 4419 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,1,0,0,0,0|3,0,0]=4 4420 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,0,2]=4 4421 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,2]=4 4422 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,2]=4 4423 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,2]=4 4424 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|2,0,0]=3 4425 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 4426 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 4427 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,1,0,0,0,0|2,0,0]=3 4428 B9R0.46 CCOCCNC(C)C#N 2230a_100000737613_100011215890 [0,1,0,0,0,0|3,0,0]=4 4429 B9R0.46 CCOCCNC(C)C#N 2230a_102516460346_100000184139 [0,1,0,0,0,0|3,0,0]=4 4430 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,1,0,0,0,0|3,0,0]=4 4431 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,1,0,0,0,0|3,0,0]=4 4432 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,1,0,0,0,0|3,0,0]=4 4433 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,1,0,0,0,0|2,0,0]=3 4434 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,1,0,0,0,0|2,0,0]=3 4435 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,1,0,0,0,0|2,0,0]=3 4436 B9R0.46 CCOCCOC(C)C#N 34a_100011218135_100000210147 [0,1,0,0,0,0|3,0,0]=4 4437 B9R0.46 CCOCCOC(C)C#N 7a_100000210136_100000703298 [0,1,0,0,0,0|3,0,0]=4 4438 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,1,0,0,0,0|3,0,0]=4 4439 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,1,0,0,0,0|3,0,0]=4 4440 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,1,0,0,0,0|3,0,0]=4 4441 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,1,0,0,0,0|3,0,0]=4 4442 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,1,0,0,0,0|3,0,0]=4 4443 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,1,0,0,0,0|3,0,0]=4 4444 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,1,0,0,0,0|2,0,0]=3 4445 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,1,0,0,0,0|2,0,0]=3 4446 B9R0.46 CCOCCSC(C)C#N 62a_100000210147_100000703298 [0,1,0,0,0,0|3,0,0]=4 4447 B9R0.46 CCOCCSC(C)C#N 62a_100000703298_100011215890 [0,1,0,0,0,0|3,0,0]=4 4448 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,1,0,0,0,0|3,0,0]=4 4449 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,1,0,0,0,0|3,0,0]=4 4450 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,1,0,0,0,0|2,0,0]=3 4451 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,1,0,0,0,0|2,0,0]=3 4452 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,1,0,0,0,0|2,0,0]=3 4453 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,1,0,0,0,0|2,0,0]=3 4454 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,1,0,0,0,0|2,0,0]=3 4455 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,1,0,0,0,0|3,0,0]=4 4456 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,1,0,0,0,0|3,0,0]=4 4457 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,1,0,0,0,0|2,0,0]=3 4458 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,1,0,0,0,0|2,0,0]=3 4459 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,1,0,0,0,0|2,0,0]=3 4460 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,1,0,0,0,0|2,0,0]=3 4461 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,1,0,0,0,0|3,0,0]=4 4462 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,1,0,0,0,0|3,0,0]=4 4463 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,1,0,0,0,0|2,0,0]=3 4464 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,1,0,0,0,0|2,0,0]=3 4465 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,1,0,0,0,0|2,0,0]=3 4466 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,1,0,0,0,0|2,0,0]=3 4467 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,1,0,0,0,0|2,0,0]=3 4468 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,1,0,0,0,0|2,0,0]=3 4469 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,2]=4 4470 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,2]=4 4471 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,2]=4 4472 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,2]=4 4473 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|3,0,0]=4 4474 B9R0.46 CCSCCNC(C)C#N 2230a_100000106463_100000184139 [0,1,0,0,0,0|3,0,0]=4 4475 B9R0.46 CCSCCNC(C)C#N 2230a_100000737613_100000757381 [0,1,0,0,0,0|3,0,0]=4 4476 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,1,0,0,0,0|3,0,0]=4 4477 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,1,0,0,0,0|3,0,0]=4 4478 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,1,0,0,0,0|2,0,0]=3 4479 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,1,0,0,0,0|2,0,0]=3 4480 B9R0.46 CCSCCOC(C)C#N 34a_100011218135_100000757381 [0,1,0,0,0,0|3,0,0]=4 4481 B9R0.46 CCSCCOC(C)C#N 7a_100000212035_100000703298 [0,1,0,0,0,0|3,0,0]=4 4482 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,1,0,0,0,0|3,0,0]=4 4483 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,1,0,0,0,0|3,0,0]=4 4484 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,1,0,0,0,0|3,0,0]=4 4485 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [0,1,0,0,0,0|3,0,0]=4 4486 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [0,1,0,0,0,0|3,0,0]=4 4487 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [0,1,0,0,0,0|3,0,0]=4 4488 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,1,0,0,0,0|2,0,0]=3 4489 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,1,0,0,0,0|2,0,0]=3 4490 B9R0.46 CCSCCSC(C)C#N 62a_100000703298_100000757381 [0,1,0,0,0,0|3,0,0]=4 4491 B9R0.46 CCSCCSC(C)C#N 62a_100000757381_100000703298 [0,1,0,0,0,0|3,0,0]=4 4492 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,1,0,0,0,0|3,0,0]=4 4493 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,1,0,0,0,0|3,0,0]=4 4494 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,1,0,0,0,0|2,0,0]=3 4495 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,1,0,0,0,0|2,0,0]=3 4496 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,1,0,0,0,0|2,0,0]=3 4497 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,1,0,0,0,0|2,0,0]=3 4498 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,1,0,0,0,0|2,0,0]=3 4499 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,1,0,0,0,0|3,0,0]=4 4500 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,1,0,0,0,0|3,0,0]=4 4501 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,1,0,0,0,0|3,0,0]=4 4502 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,1,0,0,0,0|3,0,0]=4 4503 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,1,0,0,0,0|3,0,0]=4 4504 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,1,0,0,0,0|3,0,0]=4 4505 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,1,0,0,0,0|3,0,0]=4 4506 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,1,0,0,0,0|3,0,0]=4 4507 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,1,0,0,0,0|3,0,0]=4 4508 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|3,0,0]=4 4509 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,1,0,0,0,0|3,0,0]=4 4510 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,1,0,0,0,0|3,0,0]=4 4511 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,1,0,0,0,0|3,0,0]=4 4512 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,1,0,0,0,0|3,0,0]=4 4513 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,1,0,0,0,0|3,0,0]=4 4514 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,1,0,0,0,0|3,0,0]=4 4515 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,1,0,0,0,0|3,0,0]=4 4516 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,1,0,0,0,0|3,0,0]=4 4517 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,1,0,0,0,0|3,0,0]=4 4518 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,1,0,0,0,0|3,0,0]=4 4519 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,1,0,0,0,0|3,0,0]=4 4520 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,1,0,0,0,0|3,0,0]=4 4521 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,1,0,0,0,0|3,0,0]=4 4522 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,1,0,0,0,0|3,0,0]=4 4523 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,2]=4 4524 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,2]=4 4525 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,2]=4 4526 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,2]=4 4527 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,1,0,0,0,0|2,0,0]=3 4528 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,2]=4 4529 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,2]=4 4530 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,2]=4 4531 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,2]=4 4532 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,2]=4 4533 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,2]=4 4534 B9R0.46 COC(C)CCOCC#N 7a_100000764861_100011215382 [0,1,0,0,0,0|2,0,1]=4 4535 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [0,1,0,0,0,0|2,0,1]=4 4536 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,1,0,0,0,0|2,0,0]=3 4537 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,1,0,0,0,0|2,0,0]=3 4538 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [0,1,0,0,0,0|2,0,0]=3 4539 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,1,0,0,0,0|2,0,0]=3 4540 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,1,0,0,0,0|2,0,0]=3 4541 B9R0.46 COC(C)SCCCC#N 62a_100000687738_100009879195 [0,1,0,0,0,0|2,0,1]=4 4542 B9R0.46 COC(C)SCCCC#N 62a_100009879195_100000687738 [0,1,0,0,0,0|2,0,1]=4 4543 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [0,1,0,0,0,0|2,0,1]=4 4544 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [0,1,0,0,0,0|2,0,1]=4 4545 B9R0.46 COC(C)SCCCCF 62a_100000729493_100009879195 [0,1,0,0,0,0|2,0,0]=3 4546 B9R0.46 COC(C)SCCCCF 62a_100009879195_100000729493 [0,1,0,0,0,0|2,0,0]=3 4547 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,1,0,0,0,0|2,0,0]=3 4548 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,1,0,0,0,0|2,0,0]=3 4549 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,2]=4 4550 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,2]=4 4551 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,2]=4 4552 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,2]=4 4553 B9R0.46 COCCCNC(C)C#N 2230a_100000737613_100000740836 [0,1,0,0,0,0|3,0,0]=4 4554 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,1,0,0,0,0|2,0,0]=3 4555 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,1,0,0,0,0|2,0,0]=3 4556 B9R0.46 COCCCOC(C)C#N 34a_100011218135_100000740836 [0,1,0,0,0,0|3,0,0]=4 4557 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,1,0,0,0,0|3,0,0]=4 4558 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,1,0,0,0,0|3,0,0]=4 4559 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,1,0,0,0,0|3,0,0]=4 4560 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,1,0,0,0,0|2,0,0]=3 4561 B9R0.46 COCCCSC(C)C#N 62a_100000703298_100000709357 [0,1,0,0,0,0|3,0,0]=4 4562 B9R0.46 COCCCSC(C)C#N 62a_100000709357_100000703298 [0,1,0,0,0,0|3,0,0]=4 4563 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,1,0,0,0,0|2,0,0]=3 4564 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,1,0,0,0,0|2,0,0]=3 4565 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,1,0,0,0,0|2,0,0]=3 4566 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,1,0,0,0,0|2,0,0]=3 4567 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,1,0,0,0,0|2,0,0]=3 4568 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,1,0,0,0,0|2,0,0]=3 4569 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,0,0,0,0|2,0,0]=3 4570 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,1,0,0,0,0|2,0,0]=3 4571 B9R0.46 COCCNC[C@@H](C)OC 2230a_100020591295_100011201679 [0,1,0,0,0,0|2,0,0]=3 4572 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,1,0,0,0,0|3,0,0]=4 4573 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,1,0,0,0,0|2,0,0]=3 4574 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,0,0,0,0|2,0,0]=3 4575 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,0,0,0,0|2,0,0]=3 4576 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,1,0,0,0,0|3,0,0]=4 4577 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [0,1,0,0,0,0|2,0,0]=3 4578 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [0,1,0,0,0,0|3,0,0]=4 4579 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,0,0,0,0|2,0,0]=3 4580 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,1,0,0,0,0|2,0,0]=3 4581 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,0,0,0,0|2,0,0]=3 4582 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,0,0,0,0|2,0,0]=3 4583 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,1,0,0,0,0|3,0,0]=4 4584 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,0,0,0,0|2,0,0]=3 4585 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,0,0,0,0|2,0,0]=3 4586 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,1,0,0,0,0|2,0,0]=3 4587 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,1,0,0,0,0|2,0,0]=3 4588 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,1,0,0,0,0|2,0,0]=3 4589 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,1,0,0,0,0|2,0,0]=3 4590 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,0,0,0,0|2,0,0]=3 4591 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,0,0,0,0|2,0,0]=3 4592 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [0,1,0,0,0,0|2,0,0]=3 4593 B9R0.46 CO[C@H](C)CNCCC#N 2230a_100020591295_100011215226 [0,1,0,0,0,0|2,0,1]=4 4594 B9R0.46 CO[C@H](C)CNCCCF 2230a_100020591295_100011934791 [0,1,0,0,0,0|2,0,0]=3 4595 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,1,0,0,0,0|2,0,0]=3 4596 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,1,0,0,0,0|2,0,0]=3 4597 B9R0.46 CSCCCNC(C)C#N 2230a_100000749238_100000184139 [0,1,0,0,0,0|3,0,0]=4 4598 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,1,0,0,0,0|2,0,0]=3 4599 B9R0.46 CSCCCOC(C)C#N 7a_100000690336_100000703298 [0,1,0,0,0,0|3,0,0]=4 4600 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,1,0,0,0,0|2,0,0]=3 4601 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,1,0,0,0,0|2,0,0]=3 4602 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,1,0,0,0,0|2,0,0]=3 4603 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,1,0,0,0,0|2,0,0]=3 4604 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,1,0,0,0,0|2,0,0]=3 4605 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,1,0,0,0,0|3,0,0]=4 4606 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,1,0,0,0,0|2,0,0]=3 4607 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,1,0,0,0,0|2,0,0]=3 4608 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,1,0,0,0,0|2,0,0]=3 4609 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [0,1,0,0,0,0|3,0,0]=4 4610 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [0,1,0,0,0,0|3,0,0]=4 4611 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,0,0,0,0|2,0,0]=3 4612 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,0,0,0,0|2,0,0]=3 4613 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,1,0,0,0,0|2,0,0]=3 4614 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,1,0,0,0,0|2,0,0]=3 4615 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,1,0,0,0,0|2,0,0]=3 4616 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,1,0,0,0,0|2,0,0]=3 4617 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,0,0,0,0|2,0,0]=3 4618 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,0,0,0,0|2,0,0]=3 4619 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [0,1,0,0,0,0|3,0,0]=4 4620 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,1,0,0,0,0|2,0,0]=3 4621 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,1,0,0,0,0|2,0,0]=3 4622 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,1,0,0,0,0|2,0,0]=3 4623 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,1,0,0,0,0|2,0,0]=3 4624 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,1,0,0,0,0|2,0,0]=3 4625 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,1,0,0,0,0|2,0,0]=3 4626 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,1,0,0,0,0|2,0,0]=3 4627 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,1,0,0,0,0|2,0,0]=3 4628 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [0,1,0,0,0,0|2,0,0]=3 4629 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [0,1,0,0,0,0|2,0,0]=3 4630 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,1,0,0,0,0|3,0,0]=4 4631 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,1,0,0,0,0|2,0,0]=3 4632 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,1,0,0,0,0|2,0,0]=3 4633 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,1,0,0,0,0|2,0,0]=3 4634 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,1,0,0,0,0|2,0,0]=3 4635 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,1,0,0,0,0|2,0,0]=3 4636 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,1,0,0,0,0|2,0,0]=3 4637 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,1,0,0,0,0|3,0,0]=4 4638 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100000059175_100011215226 [0,1,0,0,0,0|2,0,1]=4 4639 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100011215226_100000059175 [0,1,0,0,0,0|2,0,1]=4 4640 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,1,0,0,0,0|2,0,0]=3 4641 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,1,0,0,0,0|2,0,0]=3 4642 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,1,0,0,0,0|2,0,0]=3 4643 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,1,0,0,0,0|2,0,0]=3 4644 B9R0.46 C[C@H](CO)NCCCC#N 2230a_100000737577_100000687738 [0,1,0,0,0,0|2,0,1]=4 4645 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,1,0,0,0,0|2,0,1]=4 4646 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [0,1,0,0,0,0|2,0,0]=3 4647 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,1,0,0,0,0|2,0,0]=3 4648 B9R0.46 C[C@H](CO)SCCCC#N 62a_100000687738_100016084084 [0,1,0,0,0,0|2,0,1]=4 4649 B9R0.46 C[C@H](CO)SCCCC#N 62a_100016084084_100000687738 [0,1,0,0,0,0|2,0,1]=4 4650 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,1,0,0,0,0|2,0,1]=4 4651 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,1,0,0,0,0|2,0,1]=4 4652 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,1,0,0,0,0|2,0,0]=3 4653 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,1,0,0,0,0|2,0,0]=3 4654 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,1,0,0,0,0|2,0,0]=3 4655 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,1,0,0,0,0|2,0,0]=3 4656 B9R0.46 FCCCOCC(Cl)CCl 34a_100000033668_100011934791 [0,1,0,0,0,0|3,0,0]=4 4657 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,1,0,0,0,0|2,0,1]=4 4658 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,1,0,0,0,0|2,0,1]=4 4659 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,1,0,0,0,0|2,0,1]=4 4660 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100011215226_100015614560 [0,1,0,0,0,0|2,0,1]=4 4661 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100015614560_100011215226 [0,1,0,0,0,0|2,0,1]=4 4662 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,1,0,0,0,0|2,0,1]=4 4663 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,1,0,0,0,0|2,0,1]=4 4664 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,0,0,0,0|2,0,0]=3 4665 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,1,0,0,0,0|2,0,0]=3 4666 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,0,0,0,0|2,0,0]=3 4667 B9R0.46 NC[C@@H](F)COCCCF 34a_100015665980_100011934791 [0,1,0,0,0,0|3,0,0]=4 4668 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,1,0,0,0,0|3,0,0]=4 4669 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,1,0,0,0,0|3,0,0]=4 4670 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,1,0,0,0,0|3,0,0]=4 4671 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,1,0,0,0,0|3,0,0]=4 4672 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|1,0,2]=4 4673 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,2]=4 4674 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,2]=4 4675 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,1,0,0,0,0|2,0,0]=3 4676 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,1,0,0,0,0|2,0,0]=3 4677 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,1,0,0,0,0|2,0,0]=3 4678 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,1,0,0,0,0|2,0,0]=3 4679 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,1,0,0,0,0|2,0,0]=3 4680 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,1,0,0,0,0|2,0,0]=3 4681 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,1,0,0,0,0|2,0,0]=3 4682 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,1,0,0,0,0|3,0,0]=4 4683 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,1,0,0,0,0|2,0,0]=3 4684 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,1,0,0,0,0|3,0,0]=4 4685 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,1,0,0,0,0|2,0,0]=3 4686 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,1,0,0,0,0|2,0,0]=3 4687 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,1,0,0,0,0|2,0,0]=3 4688 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,1,0,0,0,0|2,0,0]=3 4689 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,1,0,0,0,0|2,0,0]=3 4690 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,1,0,0,0,0|2,0,0]=3 4691 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,1,0,0,0,0|2,0,0]=3 4692 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,1,0,0,0,0|3,0,0]=4 4693 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,1,0,0,0,0|2,0,0]=3 4694 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,1,0,0,0,0|2,0,0]=3 4695 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,1,0,0,0,0|2,0,0]=3 4696 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,1,0,0,0,0|2,0,0]=3 4697 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,1,0,0,0,0|2,0,0]=3 4698 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,1,0,0,0,0|2,0,0]=3 4699 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,1,0,0,0,0|2,0,0]=3 4700 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,1,0,0,0,0|2,0,0]=3 4701 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,1,0,0,0,0|2,0,0]=3 4702 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,1,0,0,0,0|2,0,0]=3 4703 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,1,0,0,0,0|2,0,0]=3 4704 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,1,0,0,0,0|2,0,0]=3 4705 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,1,0,0,0,0|2,0,0]=3 4706 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,1,0,0,0,0|2,0,0]=3 4707 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|0,0,3]=4 4708 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|0,0,3]=4 4709 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|1,0,2]=4 4710 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,1]=4 4711 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|0,0,3]=4 4712 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|0,0,3]=4 4713 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|2,0,1]=4 4714 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|2,0,1]=4 4715 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|2,0,1]=4 4716 B9R0.47 CC(C)C(C)NCCCF 2230a_100000211541_100011934791 [0,1,0,0,0,0|3,0,0]=4 4717 B9R0.47 CC(C)C(C)NCCCO 2230a_100000211541_100000230001 [0,1,0,0,0,0|3,0,0]=4 4718 B9R0.47 CC(C)C(C)OCCCF 7a_100000748068_100011934791 [0,1,0,0,0,0|3,0,0]=4 4719 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,1,0,0,0,0|3,0,0]=4 4720 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [0,1,0,0,0,0|3,0,0]=4 4721 B9R0.47 CC(C)C(O)CNCCF 2230a_100000759067_100011217306 [0,1,0,0,0,0|3,0,0]=4 4722 B9R0.47 CC(C)C(O)CNCCF 34a_100000759067_100011217306 [0,1,0,0,0,0|3,0,0]=4 4723 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,1,0,0,0,0|3,0,0]=4 4724 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,1,0,0,0,0|3,0,0]=4 4725 B9R0.47 CC(C)N(C)CCCCF 269982a_200000211004_100000729493 [0,1,0,0,0,0|3,0,0]=4 4726 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,1,0,0,0,0|3,0,0]=4 4727 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 4728 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,1,0,0,0,0|3,0,0]=4 4729 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,1,0,0,0,0|3,0,0]=4 4730 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,1,0,0,0,0|3,0,0]=4 4731 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 4732 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,1,0,0,0,0|3,0,0]=4 4733 B9R0.47 CC(C)[C@@H](N)COCCF 34a_100011830312_100011217306 [0,1,0,0,0,0|3,0,0]=4 4734 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,1,0,0,0,0|3,0,0]=4 4735 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|2,0,1]=4 4736 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|2,0,1]=4 4737 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|0,0,3]=4 4738 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|0,0,3]=4 4739 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,1,0,0,0,0|0,0,3]=4 4740 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,1,0,0,0,0|0,0,3]=4 4741 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|1,0,1]=3 4742 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|1,0,1]=3 4743 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,1]=3 4744 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,1]=3 4745 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4746 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4747 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4748 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|2,0,1]=4 4749 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,1]=2 4750 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,1]=2 4751 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|0,0,2]=3 4752 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|0,0,2]=3 4753 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|0,0,2]=3 4754 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,0]=3 4755 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,0]=3 4756 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,0]=3 4757 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|1,0,2]=4 4758 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|1,0,2]=4 4759 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|1,0,2]=4 4760 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|1,0,2]=4 4761 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 4762 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 4763 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,0,0,0,0|2,0,0]=3 4764 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,0,0,0,0|2,0,0]=3 4765 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,0,0,0,0|2,0,0]=3 4766 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 4767 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,0,0,0,0|2,0,0]=3 4768 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 4769 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 4770 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 4771 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|2,0,1]=4 4772 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 4773 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 4774 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 4775 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|2,0,1]=4 4776 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|2,0,1]=4 4777 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|1,0,1]=3 4778 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|1,0,1]=3 4779 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|1,0,1]=3 4780 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|1,0,2]=4 4781 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|1,0,2]=4 4782 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,0,0,0,0|2,0,0]=3 4783 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,1]=4 4784 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|1,0,2]=4 4785 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|1,0,2]=4 4786 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,0,0,0,0|2,0,0]=3 4787 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|1,0,2]=4 4788 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|1,0,2]=4 4789 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|1,0,2]=4 4790 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|1,0,2]=4 4791 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,1]=4 4792 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,1]=4 4793 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,0,0,0,0|2,0,0]=3 4794 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,0,0,0,0|2,0,0]=3 4795 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,1,0,0,0,0|2,0,1]=4 4796 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|2,0,1]=4 4797 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|2,0,1]=4 4798 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|2,0,1]=4 4799 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|2,0,1]=4 4800 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|1,0,2]=4 4801 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|1,0,2]=4 4802 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,0,0,0,0|2,0,0]=3 4803 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|2,0,1]=4 4804 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|2,0,1]=4 4805 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|2,0,1]=4 4806 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,0,0,0,0|3,0,0]=4 4807 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|2,0,1]=4 4808 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|2,0,1]=4 4809 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|2,0,1]=4 4810 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|2,0,1]=4 4811 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|1,0,1]=3 4812 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|1,0,1]=3 4813 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,1,0,0,0,0|3,0,0]=4 4814 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,0,0,0,0|2,0,0]=3 4815 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,1,0,0,0,0|3,0,0]=4 4816 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|2,0,1]=4 4817 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|2,0,1]=4 4818 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|2,0,1]=4 4819 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|2,0,1]=4 4820 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|1,0,1]=3 4821 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|1,0,1]=3 4822 B9R0.47 CCSCCN(C)C(C)C 269982a_200000211004_100000757381 [0,1,0,0,0,0|3,0,0]=4 4823 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|2,0,1]=4 4824 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|2,0,1]=4 4825 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|2,0,1]=4 4826 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|2,0,1]=4 4827 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|1,0,1]=3 4828 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|1,0,1]=3 4829 B9R0.47 COCCCN(C)C(C)C 2230a_100000224831_100000210206 [0,1,0,0,0,0|3,0,0]=4 4830 B9R0.47 COCCCN(C)C(C)C 269982a_100000224831_100000210206 [0,1,0,0,0,0|3,0,0]=4 4831 B9R0.47 COCCCN(C)C(C)C 269982a_200000211004_100000740836 [0,1,0,0,0,0|3,0,0]=4 4832 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|2,0,1]=4 4833 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|2,0,1]=4 4834 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|2,0,1]=4 4835 B9R0.47 COCCNC(C)C(C)C 2230a_100000211541_100011201679 [0,1,0,0,0,0|3,0,0]=4 4836 B9R0.47 COCCOC(C)C(C)C 7a_100000748068_100000233755 [0,1,0,0,0,0|3,0,0]=4 4837 B9R0.47 COCNCC(O)C(C)C 2230a_100000759067_100000766300 [0,1,0,0,0,0|3,0,0]=4 4838 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|2,0,1]=4 4839 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,0,0,0,0|3,0,0]=4 4840 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|2,0,1]=4 4841 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|2,0,1]=4 4842 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|2,0,1]=4 4843 B9R0.47 CSCCNC(C)C(C)C 2230a_100000211541_100000751147 [0,1,0,0,0,0|3,0,0]=4 4844 B9R0.47 CSCCOC(C)C(C)C 7a_100000748068_100000212216 [0,1,0,0,0,0|3,0,0]=4 4845 B9R0.47 CSCNCC(O)C(C)C 2230a_100000759067_100011218213 [0,1,0,0,0,0|3,0,0]=4 4846 B9R0.47 CSCNCC(O)C(C)C 34a_100000759067_100011218213 [0,1,0,0,0,0|3,0,0]=4 4847 B9R0.47 CSCOC[C@H](N)C(C)C 34a_100011830312_100011218213 [0,1,0,0,0,0|3,0,0]=4 4848 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|1,0,2]=4 4849 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|1,0,1]=3 4850 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|1,0,1]=3 4851 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|2,0,1]=4 4852 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|2,0,1]=4 4853 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|1,0,2]=4 4854 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|1,0,1]=3 4855 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|1,0,1]=3 4856 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|2,0,1]=4 4857 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|2,0,1]=4 4858 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|2,0,1]=4 4859 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|2,0,1]=4 4860 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|2,0,1]=4 4861 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,1,0,0,0,0|0,0,3]=4 4862 B9R0.48 C#CCC(C)OCC(C)O 34a_100000685586_100011218427 [0,1,0,0,0,0|1,0,2]=4 4863 B9R0.48 C#CCC(C)OCC(C)O 7a_100000685586_100011218427 [0,1,0,0,0,0|1,0,2]=4 4864 B9R0.48 C#CCC(C)OC[C@@H](C)O 34a_100000685586_100009817552 [0,1,0,0,0,0|1,0,2]=4 4865 B9R0.48 C#CCC(C)OC[C@@H](C)O 7a_100000685586_100009817552 [0,1,0,0,0,0|1,0,2]=4 4866 B9R0.48 C#CCN(C)CCC(C)O 2230a_100000225692_100012276601 [0,1,0,0,0,0|1,0,2]=4 4867 B9R0.48 C#CCN(C)CCC(C)O 34a_100000225692_100012276601 [0,1,0,0,0,0|1,0,2]=4 4868 B9R0.48 C/C=C/C(C)OCC(C)O 34a_200102604097_100011218427 [0,1,0,0,0,0|1,0,2]=4 4869 B9R0.48 C/C=C/C(C)OC[C@@H](C)O 34a_200102604097_100009817552 [0,1,0,0,0,0|1,0,2]=4 4870 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|1,0,2]=4 4871 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|1,0,2]=4 4872 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,1,0,0,0,0|2,0,1]=4 4873 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,1,0,0,0,0|2,0,1]=4 4874 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,1,0,0,0,0|2,0,1]=4 4875 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,1,0,0,0,0|2,0,1]=4 4876 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,1,0,0,0,0|2,0,1]=4 4877 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,1,0,0,0,0|2,0,1]=4 4878 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,1,0,0,0,0|2,0,1]=4 4879 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,1,0,0,0,0|2,0,1]=4 4880 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,1,0,0,0,0|2,0,1]=4 4881 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,1,0,0,0,0|0,0,3]=4 4882 B9R0.48 C=CCN(C)CCC(C)O 2230a_100000225617_100012276601 [0,1,0,0,0,0|1,0,2]=4 4883 B9R0.48 C=CCN(C)CCC(C)O 269982a_100000225617_100012276601 [0,1,0,0,0,0|1,0,2]=4 4884 B9R0.48 C=CC[C@@H](C)OCC(C)O 34a_100000731007_100011218427 [0,1,0,0,0,0|1,0,2]=4 4885 B9R0.48 C=CC[C@@H](C)OCC(C)O 7a_100000731007_100011218427 [0,1,0,0,0,0|1,0,2]=4 4886 B9R0.48 C=CC[C@@H](C)OC[C@@H](C)O 34a_100000731007_100009817552 [0,1,0,0,0,0|1,0,2]=4 4887 B9R0.48 C=CC[C@@H](C)OC[C@@H](C)O 7a_100000731007_100009817552 [0,1,0,0,0,0|1,0,2]=4 4888 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,1,0,0,0,0|0,0,3]=4 4889 B9R0.48 CC#CC(C)OCC(C)O 34a_100011216543_100011218427 [0,1,0,0,0,0|1,0,2]=4 4890 B9R0.48 CC#CC(C)OC[C@@H](C)O 34a_100011216543_100009817552 [0,1,0,0,0,0|1,0,2]=4 4891 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,1,0,0,0,0|3,0,0]=4 4892 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,1,0,0,0,0|2,0,1]=4 4893 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,1,0,0,0,0|2,0,1]=4 4894 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,1,0,0,0,0|2,0,1]=4 4895 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,1,0,0,0,0|3,0,0]=4 4896 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,1,0,0,0,0|3,0,0]=4 4897 B9R0.48 CC(C)CCC(C)SCF 62a_100011261404_100015361967 [0,1,0,0,0,0|3,0,0]=4 4898 B9R0.48 CC(C)CCC(C)SCF 62a_100015361967_100011261404 [0,1,0,0,0,0|3,0,0]=4 4899 B9R0.48 CC(C)CCN(C)CCF 2230a_100000742789_100011217306 [0,1,0,0,0,0|3,0,0]=4 4900 B9R0.48 CC(C)CCN(C)CCF 269982a_100000742789_100011217306 [0,1,0,0,0,0|3,0,0]=4 4901 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,1,0,0,0,0|3,0,0]=4 4902 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,1,0,0,0,0|3,0,0]=4 4903 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,1,0,0,0,0|3,0,0]=4 4904 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,1,0,0,0,0|3,0,0]=4 4905 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [0,1,0,0,0,0|3,0,0]=4 4906 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [0,1,0,0,0,0|3,0,0]=4 4907 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [0,1,0,0,0,0|3,0,0]=4 4908 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [0,1,0,0,0,0|3,0,0]=4 4909 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [0,1,0,0,0,0|3,0,0]=4 4910 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,1,0,0,0,0|3,0,0]=4 4911 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,1,0,0,0,0|3,0,0]=4 4912 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,1,0,0,0,0|3,0,0]=4 4913 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,1,0,0,0,0|3,0,0]=4 4914 B9R0.48 CC(CC#N)SC[C@@H](C)O 62a_100009813641_100009817552 [0,1,0,0,0,0|2,0,1]=4 4915 B9R0.48 CC(CC#N)SC[C@@H](C)O 62a_100009817552_100009813641 [0,1,0,0,0,0|2,0,1]=4 4916 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [0,1,0,0,0,0|2,0,0]=3 4917 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,0|3,0,0]=4 4918 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,1,0,0,0,0|3,0,0]=4 4919 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,1,0,0,0,0|3,0,0]=4 4920 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,1,0,0,0,0|2,0,0]=3 4921 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,1,0,0,0,0|2,0,0]=3 4922 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,1,0,0,0,0|3,0,0]=4 4923 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,1,0,0,0,0|1,0,2]=4 4924 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,1,0,0,0,0|1,0,1]=3 4925 B9R0.48 CC(O)CCN(C)CC#N 2230a_100000748184_100012276601 [0,1,0,0,0,0|2,0,1]=4 4926 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,1,0,0,0,0|2,0,0]=3 4927 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,1,0,0,0,0|2,0,0]=3 4928 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,1,0,0,0,0|2,0,1]=4 4929 B9R0.48 CC(O)CNC(C)CC#N 2230a_100000210904_100009813641 [0,1,0,0,0,0|2,0,1]=4 4930 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,1,0,0,0,0|2,0,0]=3 4931 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,1,0,0,0,0|2,0,0]=3 4932 B9R0.48 CC(O)CN[C@@H](C)CC#N 2230a_100016994482_100011218427 [0,1,0,0,0,0|2,0,1]=4 4933 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,1,0,0,0,0|2,0,0]=3 4934 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,1,0,0,0,0|2,0,0]=3 4935 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [0,1,0,0,0,0|2,0,0]=3 4936 B9R0.48 CC(O)CSC(C)CC#N 62a_100009813641_100011218427 [0,1,0,0,0,0|2,0,1]=4 4937 B9R0.48 CC(O)CSC(C)CC#N 62a_100011218427_100009813641 [0,1,0,0,0,0|2,0,1]=4 4938 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,1,0,0,0,0|2,0,0]=3 4939 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,1,0,0,0,0|2,0,0]=3 4940 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,0,0,0,0|0,0,3]=4 4941 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,0,0,0,0|1,0,1]=3 4942 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,0,0,0,0|1,0,1]=3 4943 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|0,0,1]=2 4944 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,1,0,0,0,0|2,0,1]=4 4945 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,1,0,0,0,0|2,0,1]=4 4946 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,1,0,0,0,0|2,0,1]=4 4947 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,1,0,0,0,0|2,0,1]=4 4948 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,1,0,0,0,0|2,0,1]=4 4949 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,1,0,0,0,0|2,0,1]=4 4950 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,1,0,0,0,0|2,0,1]=4 4951 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,1,0,0,0,0|2,0,1]=4 4952 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,1,0,0,0,0|2,0,1]=4 4953 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,1,0,0,0,0|2,0,1]=4 4954 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,1,0,0,0,0|1,0,1]=3 4955 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,1,0,0,0,0|1,0,1]=3 4956 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,1,0,0,0,0|1,0,1]=3 4957 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,1,0,0,0,0|2,0,0]=3 4958 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,1,0,0,0,0|2,0,0]=3 4959 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,1,0,0,0,0|2,0,0]=3 4960 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,1,0,0,0,0|2,0,0]=3 4961 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,1,0,0,0,0|2,0,0]=3 4962 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,1,0,0,0,0|2,0,0]=3 4963 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,1,0,0,0,0|2,0,0]=3 4964 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,0|2,0,1]=4 4965 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,1,0,0,0,0|2,0,0]=3 4966 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,1,0,0,0,0|2,0,0]=3 4967 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,1,0,0,0,0|2,0,0]=3 4968 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,1,0,0,0,0|2,0,0]=3 4969 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,1,0,0,0,0|2,0,0]=3 4970 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,1,0,0,0,0|1,0,0]=2 4971 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,1,0,0,0,0|1,0,0]=2 4972 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,1,0,0,0,0|1,0,0]=2 4973 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,1,0,0,0,0|1,0,0]=2 4974 B9R0.48 CCCC(C)NCC(F)F 2230a_100000741246_100011934356 [0,1,0,0,0,0|3,0,0]=4 4975 B9R0.48 CCCC(C)NCC(F)F 270004a_100000765723_100000211909 [0,1,0,0,0,0|3,0,0]=4 4976 B9R0.48 CCCC(C)NCC(F)F 34a_100000765723_100000766640 [0,1,0,0,0,0|3,0,0]=4 4977 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,1,0,0,0,0|1,0,0]=2 4978 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|1,0,2]=4 4979 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,1,0,0,0,0|2,0,0]=3 4980 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,1,0,0,0,0|2,0,0]=3 4981 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,1,0,0,0,0|2,0,0]=3 4982 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,1,0,0,0,0|2,0,0]=3 4983 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,1,0,0,0,0|2,0,0]=3 4984 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,1,0,0,0,0|1,0,0]=2 4985 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,1,0,0,0,0|1,0,0]=2 4986 B9R0.48 CCCC(C)OCC(F)F 34a_100000743014_100000766640 [0,1,0,0,0,0|3,0,0]=4 4987 B9R0.48 CCCC(C)OCC(F)F 34a_100000764384_100011934356 [0,1,0,0,0,0|3,0,0]=4 4988 B9R0.48 CCCC(C)OCC(F)F 7a_100000764384_100011934356 [0,1,0,0,0,0|3,0,0]=4 4989 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,1,0,0,0,0|2,0,0]=3 4990 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,1,0,0,0,0|2,0,0]=3 4991 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,1,0,0,0,0|1,0,0]=2 4992 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,1,0,0,0,0|1,0,0]=2 4993 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,1,0,0,0,0|2,0,0]=3 4994 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,1,0,0,0,0|2,0,0]=3 4995 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,1,0,0,0,0|1,0,0]=2 4996 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,1,0,0,0,0|1,0,0]=2 4997 B9R0.48 CCCC(C)SCC(F)F 62a_100000766640_100011934356 [0,1,0,0,0,0|3,0,0]=4 4998 B9R0.48 CCCC(C)SCC(F)F 62a_100011934356_100000766640 [0,1,0,0,0,0|3,0,0]=4 4999 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,1,0,0,0,0|1,0,0]=2 5000 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,1,0,0,0,0|1,0,0]=2 5001 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|1,0,2]=4 5002 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,1,0,0,0,0|2,0,0]=3 5003 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,1,0,0,0,0|2,0,0]=3 5004 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,1,0,0,0,0|2,0,0]=3 5005 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,1,0,0,0,0|2,0,0]=3 5006 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,1,0,0,0,0|1,0,0]=2 5007 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,1,0,0,0,0|1,0,0]=2 5008 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,1,0,0,0,0|3,0,0]=4 5009 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,1,0,0,0,0|3,0,0]=4 5010 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,1,0,0,0,0|3,0,0]=4 5011 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,1,0,0,0,0|3,0,0]=4 5012 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,1,0,0,0,0|3,0,0]=4 5013 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,1,0,0,0,0|3,0,0]=4 5014 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,1,0,0,0,0|3,0,0]=4 5015 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,1,0,0,0,0|3,0,0]=4 5016 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,1,0,0,0,0|2,0,0]=3 5017 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,1,0,0,0,0|2,0,1]=4 5018 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,1,0,0,0,0|2,0,1]=4 5019 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,1,0,0,0,0|2,0,1]=4 5020 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,1,0,0,0,0|2,0,1]=4 5021 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,1,0,0,0,0|2,0,1]=4 5022 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,1,0,0,0,0|2,0,1]=4 5023 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,1,0,0,0,0|2,0,1]=4 5024 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,1,0,0,0,0|2,0,1]=4 5025 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,1,0,0,0,0|2,0,0]=3 5026 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,1,0,0,0,0|2,0,0]=3 5027 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,1,0,0,0,0|2,0,0]=3 5028 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,1,0,0,0,0|2,0,0]=3 5029 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,1,0,0,0,0|2,0,0]=3 5030 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,1,0,0,0,0|2,0,0]=3 5031 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,1,0,0,0,0|2,0,0]=3 5032 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,1,0,0,0,0|2,0,0]=3 5033 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,1,0,0,0,0|2,0,1]=4 5034 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,1,0,0,0,0|1,0,1]=3 5035 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,1,0,0,0,0|2,0,1]=4 5036 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,1,0,0,0,0|2,0,1]=4 5037 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,1,0,0,0,0|2,0,1]=4 5038 B9R0.48 COCC(C)NCC(C)C 2230a_100000210953_100000765312 [0,1,0,0,0,0|3,0,0]=4 5039 B9R0.48 COCC(C)NCC(C)C 270004a_100000210953_100000749346 [0,1,0,0,0,0|3,0,0]=4 5040 B9R0.48 COCC(C)NCC(C)C 34a_100000210953_100000765312 [0,1,0,0,0,0|3,0,0]=4 5041 B9R0.48 COCC(C)NCC(C)O 2230a_100000210904_100000765312 [0,1,0,0,0,0|2,0,0]=3 5042 B9R0.48 COCC(C)NCC(C)O 270004a_100000210904_100000749346 [0,1,0,0,0,0|2,0,0]=3 5043 B9R0.48 COCC(C)NCC(C)O 34a_100000210904_100000765312 [0,1,0,0,0,0|2,0,0]=3 5044 B9R0.48 COCC(C)OCC(C)Br 34a_100012180447_100000765312 [0,1,0,0,0,0|3,0,0]=4 5045 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,1,0,0,0,0|3,0,0]=4 5046 B9R0.48 COCC(C)OCC(C)F 34a_100015925927_100000765312 [0,1,0,0,0,0|3,0,0]=4 5047 B9R0.48 COCC(C)OC[C@@H](C)Cl 34a_100016084084_100000765312 [0,1,0,0,0,0|3,0,0]=4 5048 B9R0.48 COCC(C)OC[C@@H](C)N 34a_100000737577_100000765312 [0,1,0,0,0,0|3,0,0]=4 5049 B9R0.48 COCC(C)SCC(C)C 62a_100000210624_100000765312 [0,1,0,0,0,0|3,0,0]=4 5050 B9R0.48 COCC(C)SCC(C)C 62a_100000765312_100000210760 [0,1,0,0,0,0|3,0,0]=4 5051 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [0,1,0,0,0,0|2,0,0]=3 5052 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [0,1,0,0,0,0|2,0,0]=3 5053 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [0,1,0,0,0,0|2,0,0]=3 5054 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [0,1,0,0,0,0|2,0,0]=3 5055 B9R0.48 COCC(N)COC(C)C 34a_100000724102_100000210206 [0,1,0,0,0,0|3,0,0]=4 5056 B9R0.48 COCC(O)CNC(C)C 2230a_100000756049_100000210206 [0,1,0,0,0,0|3,0,0]=4 5057 B9R0.48 COCC(O)CNC(C)C 34a_100000756049_100000210206 [0,1,0,0,0,0|3,0,0]=4 5058 B9R0.48 COCC(O)CNC(C)C 34a_100138425928_100011215053 [0,1,0,0,0,0|3,0,0]=4 5059 B9R0.48 COCC(O)COC(C)C 34a_100000212225_100011215053 [0,1,0,0,0,0|3,0,0]=4 5060 B9R0.48 COCC(O)CSC(C)C 62a_100000210206_100011215053 [0,1,0,0,0,0|3,0,0]=4 5061 B9R0.48 COCC(O)CSC(C)C 62a_100011215053_100000210206 [0,1,0,0,0,0|3,0,0]=4 5062 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,1,0,0,0,0|3,0,0]=4 5063 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,1,0,0,0,0|3,0,0]=4 5064 B9R0.48 COC[C@@H](C)NCC(C)C 2230a_100000764878_100000210760 [0,1,0,0,0,0|3,0,0]=4 5065 B9R0.48 COC[C@@H](C)NCC(C)C 270004a_100000764878_100000210432 [0,1,0,0,0,0|3,0,0]=4 5066 B9R0.48 COC[C@@H](C)NCC(C)O 2230a_100000764878_100011218427 [0,1,0,0,0,0|2,0,0]=3 5067 B9R0.48 COC[C@@H](C)NC[C@@H](C)O 2230a_100000764878_100009817552 [0,1,0,0,0,0|2,0,0]=3 5068 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,1,0,0,0,0|3,0,0]=4 5069 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [0,1,0,0,0,0|2,0,0]=3 5070 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [0,1,0,0,0,0|2,0,0]=3 5071 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,1,0,0,0,0|2,0,1]=4 5072 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,1,0,0,0,0|1,0,1]=3 5073 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,1,0,0,0,0|2,0,1]=4 5074 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,1,0,0,0,0|2,0,1]=4 5075 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,1,0,0,0,0|2,0,1]=4 5076 B9R0.48 CSCC(C)NCC(C)C 270004a_100000210953_100011216314 [0,1,0,0,0,0|3,0,0]=4 5077 B9R0.48 CSCC(C)NCC(C)O 270004a_100000210904_100011216314 [0,1,0,0,0,0|2,0,0]=3 5078 B9R0.48 CSCN(C)CCC(C)C 2230a_100000742789_100011218213 [0,1,0,0,0,0|3,0,0]=4 5079 B9R0.48 CSCN(C)CCC(C)C 269982a_100000742789_100011218213 [0,1,0,0,0,0|3,0,0]=4 5080 B9R0.48 C[C@@H](O)CN[C@@H](C)CC#N 2230a_100016994482_100009817552 [0,1,0,0,0,0|2,0,1]=4 5081 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,1,0,0,0,0|2,0,0]=3 5082 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,0|2,0,0]=3 5083 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,1,0,0,0,0|1,0,2]=4 5084 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,1,0,0,0,0|1,0,2]=4 5085 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,1,0,0,0,0|2,0,1]=4 5086 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,1,0,0,0,0|2,0,1]=4 5087 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,1,0,0,0,0|1,0,1]=3 5088 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,1,0,0,0,0|1,0,1]=3 5089 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,1,0,0,0,0|2,0,1]=4 5090 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,1,0,0,0,0|2,0,1]=4 5091 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,1,0,0,0,0|2,0,1]=4 5092 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,1,0,0,0,0|2,0,1]=4 5093 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,1,0,0,0,0|1,0,1]=3 5094 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,1,0,0,0,0|2,0,1]=4 5095 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,1,0,0,0,0|2,0,1]=4 5096 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,1,0,0,0,0|1,0,1]=3 5097 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,1,0,0,0,0|2,0,1]=4 5098 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,1,0,0,0,0|2,0,1]=4 5099 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,1,0,0,0,0|1,0,1]=3 5100 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,1,0,0,0,0|1,0,1]=3 5101 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,1,0,0,0,0|1,0,1]=3 5102 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,1,0,0,0,0|1,0,1]=3 5103 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,1,0,0,0,0|1,0,1]=3 5104 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,1,0,0,0,0|2,0,1]=4 5105 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,1,0,0,0,0|2,0,1]=4 5106 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,1,0,0,0,0|2,0,1]=4 5107 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,1,0,0,0,0|2,0,1]=4 5108 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,1,0,0,0,0|1,0,1]=3 5109 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,1,0,0,0,0|2,0,1]=4 5110 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,1,0,0,0,0|2,0,1]=4 5111 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,1,0,0,0,0|2,0,1]=4 5112 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,1,0,0,0,0|1,0,1]=3 5113 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,1,0,0,0,0|1,0,1]=3 5114 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,1,0,0,0,0|1,0,2]=4 5115 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,1,0,0,0,0|1,0,2]=4 5116 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,1,0,0,0,0|1,0,2]=4 5117 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,1,0,0,0,0|1,0,2]=4 5118 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,1,0,0,0,0|1,0,2]=4 5119 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,1,0,0,0,0|1,0,2]=4 5120 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,1,0,0,0,0|1,0,2]=4 5121 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,1,0,0,0,0|1,0,2]=4 5122 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,1,0,0,0,0|1,0,2]=4 5123 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,1,0,0,0,0|1,0,2]=4 5124 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,1,0,0,0,0|1,0,2]=4 5125 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,1,0,0,0,0|1,0,2]=4 5126 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,1,0,0,0,0|1,0,2]=4 5127 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,1,0,0,0,0|1,0,2]=4 5128 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,0,0,0,0|2,0,1]=4 5129 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|0,0,3]=4 5130 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|0,0,2]=3 5131 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|0,0,2]=3 5132 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|1,0,2]=4 5133 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,0,0,0,0|1,0,2]=4 5134 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|1,0,2]=4 5135 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|1,0,2]=4 5136 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|1,0,2]=4 5137 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,0,0,0,0|1,0,2]=4 5138 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,0,0,0,0|1,0,2]=4 5139 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,0,0,0,0|1,0,2]=4 5140 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,0,0,0,0|1,0,2]=4 5141 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,0,0,0,0|1,0,1]=3 5142 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,0,0,0,0|1,0,1]=3 5143 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,0,0,0,0|1,0,1]=3 5144 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,0,0,0,0|1,0,1]=3 5145 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,0,0,0,0|1,0,2]=4 5146 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,0,0,0,0|1,0,2]=4 5147 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,0,0,0,0|1,0,1]=3 5148 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,0,0,0,0|1,0,1]=3 5149 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,0,0,0,0|1,0,1]=3 5150 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,0,0,0,0|1,0,1]=3 5151 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,0,0,0,0|1,0,2]=4 5152 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,0,0,0,0|1,0,1]=3 5153 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|1,0,2]=4 5154 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|1,0,2]=4 5155 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|1,0,2]=4 5156 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|1,0,2]=4 5157 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,0,0,0,0|2,0,1]=4 5158 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,1,0,0,0,0|2,0,1]=4 5159 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,1,0,0,0,0|2,0,1]=4 5160 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,1,0,0,0,0|2,0,1]=4 5161 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,1,0,0,0,0|2,0,1]=4 5162 B9R0.55 CC(Br)CCOCC(F)F 34a_100009893172_100011934356 [0,1,0,0,0,0|3,0,0]=4 5163 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,1,0,0,0,0|1,0,0]=2 5164 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [0,1,0,0,0,0|3,0,0]=4 5165 B9R0.55 CC(C)C=NNCC(C)O 4a_200000730056_100000210432 [0,1,0,0,0,0|2,0,1]=4 5166 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|0,0,2]=3 5167 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,1,0,0,0,0|2,0,0]=3 5168 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,1,0,0,0,0|2,0,0]=3 5169 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,1,0,0,0,0|2,0,0]=3 5170 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,1,0,0,0,0|2,0,0]=3 5171 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,1,0,0,0,0|2,0,0]=3 5172 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,1,0,0,0,0|2,0,0]=3 5173 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,1,0,0,0,0|2,0,0]=3 5174 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,1,0,0,0,0|2,0,0]=3 5175 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,1,0,0,0,0|2,0,0]=3 5176 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,1,0,0,0,0|2,0,0]=3 5177 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,1,0,0,0,0|2,0,0]=3 5178 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,0,0,0,0|2,0,1]=4 5179 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,1,0,0,0,0|2,0,0]=3 5180 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,1,0,0,0,0|2,0,0]=3 5181 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,1,0,0,0,0|2,0,0]=3 5182 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,1,0,0,0,0|2,0,0]=3 5183 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,1,0,0,0,0|1,0,0]=2 5184 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,1,0,0,0,0|1,0,0]=2 5185 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,1,0,0,0,0|1,0,0]=2 5186 B9R0.55 CC(C)CCNCC(F)F 34a_100000765723_100000210312 [0,1,0,0,0,0|3,0,0]=4 5187 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,1,0,0,0,0|2,0,0]=3 5188 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,1,0,0,0,0|2,0,0]=3 5189 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,1,0,0,0,0|2,0,0]=3 5190 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,1,0,0,0,0|2,0,0]=3 5191 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,1,0,0,0,0|2,0,0]=3 5192 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,1,0,0,0,0|1,0,0]=2 5193 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,1,0,0,0,0|1,0,0]=2 5194 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [0,1,0,0,0,0|3,0,0]=4 5195 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [0,1,0,0,0,0|3,0,0]=4 5196 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [0,1,0,0,0,0|3,0,0]=4 5197 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,1,0,0,0,0|2,0,0]=3 5198 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,1,0,0,0,0|2,0,0]=3 5199 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,1,0,0,0,0|1,0,0]=2 5200 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,1,0,0,0,0|1,0,0]=2 5201 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,1,0,0,0,0|2,0,0]=3 5202 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,1,0,0,0,0|2,0,0]=3 5203 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,1,0,0,0,0|1,0,0]=2 5204 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,1,0,0,0,0|1,0,0]=2 5205 B9R0.55 CC(C)CCSCC(F)F 62a_100000210312_100011934356 [0,1,0,0,0,0|3,0,0]=4 5206 B9R0.55 CC(C)CCSCC(F)F 62a_100011934356_100000210312 [0,1,0,0,0,0|3,0,0]=4 5207 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,1,0,0,0,0|1,0,0]=2 5208 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,1,0,0,0,0|1,0,0]=2 5209 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,1,0,0,0,0|1,0,0]=2 5210 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,1,0,0,0,0|1,0,0]=2 5211 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,1,0,0,0,0|1,0,0]=2 5212 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,1,0,0,0,0|1,0,0]=2 5213 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [0,1,0,0,0,0|3,0,0]=4 5214 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,1,0,0,0,0|3,0,0]=4 5215 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,1,0,0,0,0|3,0,0]=4 5216 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,1,0,0,0,0|2,0,0]=3 5217 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,1,0,0,0,0|1,0,0]=2 5218 B9R0.55 CC(C)COCCC(F)F 34a_100103093639_100000210624 [0,1,0,0,0,0|3,0,0]=4 5219 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,1,0,0,0,0|2,0,0]=3 5220 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,1,0,0,0,0|3,0,0]=4 5221 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,1,0,0,0,0|1,0,0]=2 5222 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,1,0,0,0,0|1,0,0]=2 5223 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,1,0,0,0,0|3,0,0]=4 5224 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,1,0,0,0,0|3,0,0]=4 5225 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,1,0,0,0,0|3,0,0]=4 5226 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,1,0,0,0,0|2,0,1]=4 5227 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,1,0,0,0,0|3,0,0]=4 5228 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,1,0,0,0,0|3,0,0]=4 5229 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,1,0,0,0,0|3,0,0]=4 5230 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,1,0,0,0,0|3,0,0]=4 5231 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,1,0,0,0,0|3,0,0]=4 5232 B9R0.55 CC(C)NCCSC(C)C 2230a_100000731138_100000210206 [0,1,0,0,0,0|3,0,0]=4 5233 B9R0.55 CC(C)NCCSC(C)C 2230a_100138425928_100000730970 [0,1,0,0,0,0|3,0,0]=4 5234 B9R0.55 CC(C)NCCSC(C)C 34a_100000731138_100000210206 [0,1,0,0,0,0|3,0,0]=4 5235 B9R0.55 CC(C)NCCSC(C)C 34a_100138425928_100000730970 [0,1,0,0,0,0|3,0,0]=4 5236 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,1,0,0,0,0|3,0,0]=4 5237 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,1,0,0,0,0|3,0,0]=4 5238 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,1,0,0,0,0|3,0,0]=4 5239 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,1,0,0,0,0|3,0,0]=4 5240 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,1,0,0,0,0|3,0,0]=4 5241 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,1,0,0,0,0|3,0,0]=4 5242 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,1,0,0,0,0|3,0,0]=4 5243 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,1,0,0,0,0|3,0,0]=4 5244 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [0,1,0,0,0,0|3,0,0]=4 5245 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [0,1,0,0,0,0|3,0,0]=4 5246 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,1,0,0,0,0|2,0,0]=3 5247 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,1,0,0,0,0|2,0,0]=3 5248 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,1,0,0,0,0|3,0,0]=4 5249 B9R0.55 CC(C)SCCSC(C)C 62a_100000210206_100000730970 [0,1,0,0,0,0|3,0,0]=4 5250 B9R0.55 CC(C)SCCSC(C)C 62a_100000730970_100000210206 [0,1,0,0,0,0|3,0,0]=4 5251 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [0,1,0,0,0,0|3,0,0]=4 5252 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,1,0,0,0,0|1,0,0]=2 5253 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,1,0,0,0,0|1,0,0]=2 5254 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,1,0,0,0,0|1,0,0]=2 5255 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,1,0,0,0,0|1,0,0]=2 5256 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,1,0,0,0,0|1,0,0]=2 5257 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,0,0,0,0|2,0,1]=4 5258 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,0,0,0,0|2,0,1]=4 5259 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,0,0,0,0|2,0,1]=4 5260 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,1,0,0,0,0|1,0,0]=2 5261 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,1,0,0,0,0|1,0,0]=2 5262 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,1,0,0,0,0|1,0,0]=2 5263 B9R0.55 CC(O)CCNCC(F)F 2230a_200000755665_100011934356 [0,1,0,0,0,0|2,0,0]=3 5264 B9R0.55 CC(O)CCNCC(F)F 34a_100000765723_100012276601 [0,1,0,0,0,0|2,0,0]=3 5265 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,1,0,0,0,0|1,0,0]=2 5266 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,1,0,0,0,0|1,0,0]=2 5267 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,1,0,0,0,0|1,0,0]=2 5268 B9R0.55 CC(O)CCOCC(F)F 34a_100000743014_100012276601 [0,1,0,0,0,0|2,0,0]=3 5269 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,1,0,0,0,0|1,0,0]=2 5270 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,1,0,0,0,0|1,0,0]=2 5271 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,0,0,0,0|2,0,1]=4 5272 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,0,0,0,0|2,0,1]=4 5273 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,0,0,0,0|2,0,1]=4 5274 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,0,0,0,0|2,0,1]=4 5275 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,1,0,0,0,0|1,0,0]=2 5276 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,1,0,0,0,0|1,0,0]=2 5277 B9R0.55 CC(O)CCSCC(F)F 62a_100011934356_100012276601 [0,1,0,0,0,0|2,0,0]=3 5278 B9R0.55 CC(O)CCSCC(F)F 62a_100012276601_100011934356 [0,1,0,0,0,0|2,0,0]=3 5279 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,1,0,0,0,0|1,0,0]=2 5280 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,1,0,0,0,0|1,0,0]=2 5281 B9R0.55 CC(O)CCSC[N+](=O)[O-] 62a_100012276601_100000761209 [0,1,0,0,0,0|3,0,0]=4 5282 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,0,0,0,0|2,0,1]=4 5283 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|2,0,1]=4 5284 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [0,1,0,0,0,0|2,0,0]=3 5285 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [0,1,0,0,0,0|2,0,0]=3 5286 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,0,0,0,0|2,0,1]=4 5287 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,0,0,0,0|2,0,1]=4 5288 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,1,0,0,0,0|1,0,0]=2 5289 B9R0.55 CC(O)COCCC(F)F 34a_100103093639_100011218427 [0,1,0,0,0,0|2,0,0]=3 5290 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,1,0,0,0,0|1,0,0]=2 5291 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,0,0,0,0|2,0,1]=4 5292 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,0,0,0,0|2,0,1]=4 5293 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [0,1,0,0,0,0|2,0,0]=3 5294 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,1,0,0,0,0|2,0,0]=3 5295 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,1,0,0,0,0|2,0,0]=3 5296 B9R0.55 CN(C)CCCCB(O)O 2230a_100102631434_200009817182 [0,1,0,0,0,0|3,0,0]=4 5297 B9R0.55 CN(C)CCCCB(O)O 269982a_100102631434_200009817182 [0,1,0,0,0,0|3,0,0]=4 5298 B9R0.55 CN(C)CCCCN(C)C 269982a_100102631434_100000690147 [0,1,0,0,0,0|3,0,0]=4 5299 B9R0.55 C[C@@H](N)CCOCC(F)F 34a_100000706166_100011934356 [0,1,0,0,0,0|3,0,0]=4 5300 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,0|1,0,0]=2 5301 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,0,0,0,0|2,0,1]=4 5302 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,0,0,0,0|2,0,1]=4 5303 B9R0.55 C[C@@H](O)COCCC(F)F 34a_100103093639_100009817552 [0,1,0,0,0,0|2,0,0]=3 5304 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,0,0,0,0|2,0,1]=4 5305 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,0,0,0,0|2,0,1]=4 5306 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [0,1,0,0,0,0|2,0,0]=3 5307 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|2,0,1]=4 5308 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,0,0,1,0,0|3,0,0]=4 5309 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,0,0,1,0,0|3,0,0]=4 5310 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,0,0,1,0,0|2,0,0]=3 5311 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,0,0,1,0,0|2,0,0]=3 5312 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|2,0,0]=3 5313 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 5314 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 5315 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,0,0,1,0,0|3,0,0]=4 5316 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 5317 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 5318 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,0,0,1,0,0|3,0,0]=4 5319 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,0,0,1,0,0|2,0,0]=3 5320 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,0,0,1,0,0|2,0,0]=3 5321 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,0,0,1,0,0|2,0,0]=3 5322 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,0,0,1,0,0|1,0,0]=2 5323 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,0,0,1,0,0|1,0,0]=2 5324 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,0,0,1,0,0|2,0,0]=3 5325 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,0,0,1,0,0|2,0,0]=3 5326 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,0,0,1,0,0|2,0,0]=3 5327 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,0,0,1,0,0|3,0,0]=4 5328 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,0,0,1,0,0|3,0,0]=4 5329 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,0,0,1,0,0|3,0,0]=4 5330 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [0,0,0,1,0,0|2,0,0]=3 5331 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [0,0,0,1,0,0|2,0,0]=3 5332 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 5333 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 5334 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,0,0,1,0,0|3,0,0]=4 5335 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5336 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5337 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,0,0,1,0,0|3,0,0]=4 5338 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,0,0,1,0,0|2,0,0]=3 5339 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,0,0,1,0,0|2,0,0]=3 5340 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,0,0,1,0,0|2,0,0]=3 5341 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,0,0,1,0,0|1,0,0]=2 5342 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,0,0,1,0,0|1,0,0]=2 5343 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [0,0,0,1,0,0|3,0,0]=4 5344 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,0,0,1,0,0|3,0,0]=4 5345 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|2,0,1]=4 5346 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|1,0,2]=4 5347 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|2,0,0]=3 5348 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 5349 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 5350 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,0,0,1,0,0|3,0,0]=4 5351 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 5352 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 5353 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,0,0,1,0,0|3,0,0]=4 5354 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,0,0,1,0,0|3,0,0]=4 5355 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,0,0,1,0,0|3,0,0]=4 5356 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,0,0,1,0,0|3,0,0]=4 5357 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,0,0,1,0,0|3,0,0]=4 5358 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [0,0,0,1,0,0|3,0,0]=4 5359 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [0,0,0,1,0,0|3,0,0]=4 5360 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [0,0,0,1,0,0|2,0,0]=3 5361 B9R1.2 OC1CN(CCO1)CF 269982a_100000688207_100015361967 [0,0,0,1,0,0|3,0,0]=4 5362 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 5363 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 5364 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,0,0,1,0,0|3,0,0]=4 5365 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 5366 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 5367 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,0,0,1,0,0|3,0,0]=4 5368 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,0,0,1,0,0|1,0,0]=2 5369 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|1,0,2]=4 5370 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|0,0,2]=3 5371 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|0,0,2]=3 5372 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|1,0,2]=4 5373 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|1,0,2]=4 5374 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|1,0,2]=4 5375 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|1,0,2]=4 5376 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|1,0,2]=4 5377 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|1,0,2]=4 5378 B9R1.6 CC(C)N1CCCOC1 2230a_100000131196_100000210206 [0,0,0,1,0,0|3,0,0]=4 5379 B9R1.6 CC(C)N1CCCOC1 269982a_100000131196_100000210206 [0,0,0,1,0,0|3,0,0]=4 5380 B9R1.6 CC(C)N1CCCOC1 34a_100000131196_100000210206 [0,0,0,1,0,0|3,0,0]=4 5381 B9R1.6 CC(C)N1CCOCC1 2230a_100015191051_100000210206 [0,0,0,1,0,0|3,0,0]=4 5382 B9R1.6 CC(C)N1CCOCC1 269982a_100015191051_100000210206 [0,0,0,1,0,0|3,0,0]=4 5383 B9R1.6 CC(C)N1CCOCC1 34a_100015191051_100000210206 [0,0,0,1,0,0|3,0,0]=4 5384 B9R1.6 CC(C)N1CCSCC1 2230a_100000737611_100000210206 [0,0,0,1,0,0|3,0,0]=4 5385 B9R1.6 CC(C)N1CCSCC1 269982a_100000737611_100000210206 [0,0,0,1,0,0|3,0,0]=4 5386 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,1,0,0|2,0,0]=3 5387 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,1,0,0|2,0,0]=3 5388 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,1,0,0|2,0,0]=3 5389 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,1,0,0|2,0,0]=3 5390 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,1,0,0|2,0,0]=3 5391 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,0,0,1,0,0|3,0,0]=4 5392 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,0,0,1,0,0|3,0,0]=4 5393 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,0,0,1,0,0|3,0,0]=4 5394 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [0,0,0,1,0,0|3,0,0]=4 5395 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,0,0,1,0,0|3,0,0]=4 5396 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,0,0,1,0,0|3,0,0]=4 5397 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,0,0,1,0,0|3,0,0]=4 5398 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,0,0,1,0,0|3,0,0]=4 5399 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,0,0,1,0,0|3,0,0]=4 5400 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [0,0,0,1,0,0|3,0,0]=4 5401 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [0,0,0,1,0,0|3,0,0]=4 5402 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [0,0,0,1,0,0|3,0,0]=4 5403 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [0,0,0,1,0,0|3,0,0]=4 5404 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [0,0,0,1,0,0|3,0,0]=4 5405 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,1,0,0|2,0,0]=3 5406 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,1,0,0|2,0,0]=3 5407 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,1,0,0|2,0,0]=3 5408 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,0,0,1,0,0|3,0,0]=4 5409 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,0,0,1,0,0|3,0,0]=4 5410 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,0,0,1,0,0|3,0,0]=4 5411 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [0,0,0,1,0,0|3,0,0]=4 5412 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [0,0,0,1,0,0|3,0,0]=4 5413 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [0,0,0,1,0,0|3,0,0]=4 5414 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|0,0,2]=3 5415 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|1,0,2]=4 5416 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|1,0,2]=4 5417 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|1,0,2]=4 5418 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|1,0,2]=4 5419 B9R1.7 C#CCN1CCC(C1)O 2230a_100011215560_100000038162 [0,0,0,1,0,0|1,0,2]=4 5420 B9R1.7 C=CCN1CCC(C1)O 2230a_100011215560_100000210623 [0,0,0,1,0,0|1,0,2]=4 5421 B9R1.7 C=CCN1CCC(C1)O 269982a_100011215560_100000210623 [0,0,0,1,0,0|1,0,2]=4 5422 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,0,0,1,0,0|3,0,0]=4 5423 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|1,0,0]=2 5424 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|1,0,0]=2 5425 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,0,0,1,0,0|2,0,0]=3 5426 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,0,0,1,0,0|2,0,0]=3 5427 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,0,0,1,0,0|2,0,0]=3 5428 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,0,1,0,0|2,0,0]=3 5429 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,0,1,0,0|2,0,0]=3 5430 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,0,1,0,0|2,0,0]=3 5431 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,0,1,0,0|2,0,0]=3 5432 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|1,0,0]=2 5433 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|1,0,0]=2 5434 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,2]=4 5435 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,0,1,0,0|2,0,0]=3 5436 B9R1.7 CCO[C@H]1CCN(C1)C 2230a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 5437 B9R1.7 CCO[C@H]1CCN(C1)C 269982a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 5438 B9R1.7 CCO[C@H]1CCN(C1)C 34a_100011787710_200000210301 [0,0,0,1,0,0|3,0,0]=4 5439 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 2230a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 5440 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 269982a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 5441 B9R1.7 CCO[C@H]1CCN(C1)[13CH3] 34a_100011787710_200025704644 [0,0,0,1,0,0|3,0,0]=4 5442 B9R1.7 CCSC1CCN(C1)C 62a_100000210202_200012183744 [0,0,0,1,0,0|3,0,0]=4 5443 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 5444 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 5445 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,0,0,1,0,0|3,0,0]=4 5446 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200000690779_200025704644 [0,0,0,1,0,0|3,0,0]=4 5447 B9R1.7 CN1CCC(C1)CS[13CH3] 62a_200025704644_200000690779 [0,0,0,1,0,0|3,0,0]=4 5448 B9R1.7 CNCC1CCN(C1)C 34a_100102657272_200000690779 [0,0,0,1,0,0|3,0,0]=4 5449 B9R1.7 CNCC1CCN(C1)C 7a_106832991635_200000690779 [0,0,0,1,0,0|3,0,0]=4 5450 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 5451 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 5452 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,0,0,1,0,0|3,0,0]=4 5453 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,0,0,1,0,0|3,0,0]=4 5454 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 5455 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 5456 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,0,0,1,0,0|3,0,0]=4 5457 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [0,0,0,1,0,0|2,0,0]=3 5458 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [0,0,0,1,0,0|2,0,0]=3 5459 B9R1.7 COCN1CC[C@@H](C1)F 2230a_100015203821_100000766300 [0,0,0,1,0,0|3,0,0]=4 5460 B9R1.7 COCN1CC[C@@H](C1)F 269982a_100015203821_100000766300 [0,0,0,1,0,0|3,0,0]=4 5461 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,0,0,1,0,0|3,0,0]=4 5462 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,0,0,1,0,0|3,0,0]=4 5463 B9R1.7 COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200000210301 [0,0,0,1,0,0|3,0,0]=4 5464 B9R1.7 CSCC1CCN(C1)C 62a_200000210301_200000690779 [0,0,0,1,0,0|3,0,0]=4 5465 B9R1.7 CSCC1CCN(C1)C 62a_200000690779_200000210301 [0,0,0,1,0,0|3,0,0]=4 5466 B9R1.7 CSCN1CCC(C1)O 2230a_100011215560_100011218213 [0,0,0,1,0,0|2,0,0]=3 5467 B9R1.7 CSCN1CCC(C1)O 269982a_100011215560_100011218213 [0,0,0,1,0,0|2,0,0]=3 5468 B9R1.7 CSCN1CC[C@@H](C1)F 2230a_100015203821_100011218213 [0,0,0,1,0,0|3,0,0]=4 5469 B9R1.7 CSCN1CC[C@@H](C1)F 269982a_100015203821_100011218213 [0,0,0,1,0,0|3,0,0]=4 5470 B9R1.7 CSCN1CC[C@@H](C1)F 34a_100015203821_100011218213 [0,0,0,1,0,0|3,0,0]=4 5471 B9R1.7 CSCN1CC[C@H](C1)C 2230a_100016987628_100011218213 [0,0,0,1,0,0|3,0,0]=4 5472 B9R1.7 CSCN1CC[C@H](C1)C 269982a_100016987628_100011218213 [0,0,0,1,0,0|3,0,0]=4 5473 B9R1.7 CSCN1CC[C@H](C1)C 34a_100016987628_100011218213 [0,0,0,1,0,0|3,0,0]=4 5474 B9R1.7 C[C@@H]1CCN(C1)CCF 2230a_100016987628_100011217306 [0,0,0,1,0,0|3,0,0]=4 5475 B9R1.7 C[C@@H]1CCN(C1)CCF 269982a_100016987628_100011217306 [0,0,0,1,0,0|3,0,0]=4 5476 B9R1.7 C[C@@H]1CCN(C1)CCF 34a_100016987628_100011217306 [0,0,0,1,0,0|3,0,0]=4 5477 B9R1.7 C[C@@H]1CCN(C1)CCO 2230a_100016987628_100000211926 [0,0,0,1,0,0|3,0,0]=4 5478 B9R1.7 C[C@@H]1CCN(C1)CCO 269982a_100016987628_100000211926 [0,0,0,1,0,0|3,0,0]=4 5479 B9R1.7 C[C@@H]1CCN(C1)CCO 34a_100016987628_100000211926 [0,0,0,1,0,0|3,0,0]=4 5480 B9R1.7 FCCN1CC[C@@H](C1)F 2230a_100015203821_100011217306 [0,0,0,1,0,0|3,0,0]=4 5481 B9R1.7 FCCN1CC[C@@H](C1)F 269982a_100015203821_100011217306 [0,0,0,1,0,0|3,0,0]=4 5482 B9R1.7 FCCN1CC[C@@H](C1)F 34a_100015203821_100011217306 [0,0,0,1,0,0|3,0,0]=4 5483 B9R1.7 N#CCN1CCC(C1)O 2230a_100011215560_100011215382 [0,0,0,1,0,0|2,0,1]=4 5484 B9R1.7 N#CCN1CCC(C1)O 269982a_100011215560_100011214920 [0,0,0,1,0,0|2,0,1]=4 5485 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [0,0,0,1,0,0|2,0,1]=4 5486 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [0,0,0,1,0,0|2,0,1]=4 5487 B9R1.7 OC1CCN(C1)CCF 2230a_100011215560_100011217306 [0,0,0,1,0,0|2,0,0]=3 5488 B9R1.7 OC1CCN(C1)CCF 269982a_100011215560_100011217306 [0,0,0,1,0,0|2,0,0]=3 5489 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,0,0,1,0,0|2,0,0]=3 5490 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,0,0,1,0,0|2,0,0]=3 5491 B9R1.7 OCCN1CC[C@@H](C1)F 2230a_100015203821_100000211926 [0,0,0,1,0,0|3,0,0]=4 5492 B9R1.7 OCCN1CC[C@@H](C1)F 269982a_100015203821_100000211926 [0,0,0,1,0,0|3,0,0]=4 5493 B9R1.7 OCCN1CC[C@@H](C1)F 34a_100015203821_100000211926 [0,0,0,1,0,0|3,0,0]=4 5494 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 5495 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 5496 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,0,0,1,0,0|3,0,0]=4 5497 B9R1.7 [13CH3]OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200025704644 [0,0,0,1,0,0|3,0,0]=4 5498 B9R1.9 C#CCCN1CC(C1)O 269982a_100000749847_100000730999 [0,0,0,1,0,0|1,0,2]=4 5499 B9R1.9 C#CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000038162 [0,0,0,1,0,0|1,0,2]=4 5500 B9R1.9 C/C=C/CN1CC(C1)O 269982a_100000749847_100102629194 [0,0,0,1,0,0|1,0,2]=4 5501 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [0,0,0,1,0,0|2,0,1]=4 5502 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [0,0,0,1,0,0|2,0,1]=4 5503 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [0,0,0,1,0,0|2,0,1]=4 5504 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,0,0,1,0,0|2,0,1]=4 5505 B9R1.9 C=CCCN1CC(C1)O 269982a_100000749847_100000754431 [0,0,0,1,0,0|1,0,2]=4 5506 B9R1.9 C=CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210623 [0,0,0,1,0,0|1,0,2]=4 5507 B9R1.9 CC1CN(C1)CCCF 2230a_100000702820_100011934791 [0,0,0,1,0,0|3,0,0]=4 5508 B9R1.9 CC1CN(C1)CCCF 269982a_100000702820_100011934791 [0,0,0,1,0,0|3,0,0]=4 5509 B9R1.9 CC1CN(C1)CCCF 34a_100000702820_100011934791 [0,0,0,1,0,0|3,0,0]=4 5510 B9R1.9 CC1CN(C1)CCCO 2230a_100000702820_100000230001 [0,0,0,1,0,0|3,0,0]=4 5511 B9R1.9 CC1CN(C1)CCCO 269982a_100000702820_100011215043 [0,0,0,1,0,0|3,0,0]=4 5512 B9R1.9 CC1CN(C1)CCCO 34a_100000702820_100000230001 [0,0,0,1,0,0|3,0,0]=4 5513 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,0,0,1,0,0|2,0,0]=3 5514 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,0,0,1,0,0|2,0,0]=3 5515 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,0,0,1,0,0|2,0,0]=3 5516 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [0,0,0,1,0,0|2,0,0]=3 5517 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [0,0,0,1,0,0|2,0,0]=3 5518 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [0,0,0,1,0,0|2,0,0]=3 5519 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,0,0,1,0,0|1,0,0]=2 5520 B9R1.9 CCCNC1CC(C1)F 2230a_100016993743_100000210303 [0,0,0,1,0,0|2,0,0]=3 5521 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,0,0,1,0,0|1,0,0]=2 5522 B9R1.9 CCCOC1CN(C1)C 269982a_200020626125_200000210301 [0,0,0,1,0,0|3,0,0]=4 5523 B9R1.9 CCCOC1CN(C1)C 34a_200020626125_200000210301 [0,0,0,1,0,0|3,0,0]=4 5524 B9R1.9 CCCOC1CN(C1)[13CH3] 269982a_200020626125_200025704644 [0,0,0,1,0,0|3,0,0]=4 5525 B9R1.9 CCCOC1CN(C1)[13CH3] 34a_200020626125_200025704644 [0,0,0,1,0,0|3,0,0]=4 5526 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,1,0,0|1,0,2]=4 5527 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,1,0,0|1,0,2]=4 5528 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [0,0,0,1,0,0|1,0,0]=2 5529 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,1,0,0|1,0,2]=4 5530 B9R1.9 CCOCC1CC(C1)Cl 34a_100009874164_100000210202 [0,0,0,1,0,0|2,0,0]=3 5531 B9R1.9 CCOCN1CC(C1)C 269982a_100000702820_100000739092 [0,0,0,1,0,0|3,0,0]=4 5532 B9R1.9 CCOCN1CC(C1)F 269982a_100000690557_100000739092 [0,0,0,1,0,0|3,0,0]=4 5533 B9R1.9 CCOCN1CC(C1)O 269982a_100000749847_100000739092 [0,0,0,1,0,0|2,0,0]=3 5534 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,1,0,0|1,0,2]=4 5535 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,1,0,0|1,0,2]=4 5536 B9R1.9 COCCN1CC(C1)C 2230a_100000702820_100011201679 [0,0,0,1,0,0|3,0,0]=4 5537 B9R1.9 COCCN1CC(C1)C 269982a_100000702820_100000233755 [0,0,0,1,0,0|3,0,0]=4 5538 B9R1.9 COCCN1CC(C1)C 34a_100000702820_100011201679 [0,0,0,1,0,0|3,0,0]=4 5539 B9R1.9 COCCN1CC(C1)F 2230a_100000690557_100011201679 [0,0,0,1,0,0|3,0,0]=4 5540 B9R1.9 COCCN1CC(C1)F 269982a_100000690557_100000233755 [0,0,0,1,0,0|3,0,0]=4 5541 B9R1.9 COCCN1CC(C1)F 34a_100000690557_100011201679 [0,0,0,1,0,0|3,0,0]=4 5542 B9R1.9 COCCN1CC(C1)O 269982a_100000749847_100000233755 [0,0,0,1,0,0|2,0,0]=3 5543 B9R1.9 COCNC1CC(C1)F 2230a_100016993743_100000766300 [0,0,0,1,0,0|3,0,0]=4 5544 B9R1.9 COCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000766300 [0,0,0,1,0,0|2,0,0]=3 5545 B9R1.9 CSCCN1CC(C1)C 2230a_100000702820_100000751147 [0,0,0,1,0,0|3,0,0]=4 5546 B9R1.9 CSCCN1CC(C1)C 269982a_100000702820_100000212216 [0,0,0,1,0,0|3,0,0]=4 5547 B9R1.9 CSCCN1CC(C1)C 34a_100000702820_100000212216 [0,0,0,1,0,0|3,0,0]=4 5548 B9R1.9 CSCCN1CC(C1)F 2230a_100000690557_100000751147 [0,0,0,1,0,0|3,0,0]=4 5549 B9R1.9 CSCCN1CC(C1)F 269982a_100000690557_100000212216 [0,0,0,1,0,0|3,0,0]=4 5550 B9R1.9 CSCCN1CC(C1)F 34a_100000690557_100000212216 [0,0,0,1,0,0|3,0,0]=4 5551 B9R1.9 CSCCN1CC(C1)O 269982a_100000749847_100000212216 [0,0,0,1,0,0|2,0,0]=3 5552 B9R1.9 CSCNC1CC(C1)F 2230a_100016993743_100011218213 [0,0,0,1,0,0|3,0,0]=4 5553 B9R1.9 CSCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218213 [0,0,0,1,0,0|2,0,0]=3 5554 B9R1.9 FCCCN1CC(C1)F 2230a_100000690557_100011934791 [0,0,0,1,0,0|3,0,0]=4 5555 B9R1.9 FCCCN1CC(C1)F 269982a_100000690557_100011934791 [0,0,0,1,0,0|3,0,0]=4 5556 B9R1.9 FCCCN1CC(C1)F 34a_100000690557_100011934791 [0,0,0,1,0,0|3,0,0]=4 5557 B9R1.9 FCCNC1CC(C1)F 2230a_100016993743_100011217306 [0,0,0,1,0,0|3,0,0]=4 5558 B9R1.9 FCOCC1CC(C1)Cl 34a_100009874164_100015361967 [0,0,0,1,0,0|3,0,0]=4 5559 B9R1.9 N#CCCN1CC(C1)O 269982a_100000749847_100011215226 [0,0,0,1,0,0|2,0,1]=4 5560 B9R1.9 N#CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215382 [0,0,0,1,0,0|2,0,1]=4 5561 B9R1.9 O=CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200015260668 [0,0,0,1,0,0|2,0,1]=4 5562 B9R1.9 OC1CN(C1)CCCF 269982a_100000749847_100011934791 [0,0,0,1,0,0|2,0,0]=3 5563 B9R1.9 OCCCN1CC(C1)F 2230a_100000690557_100000230001 [0,0,0,1,0,0|3,0,0]=4 5564 B9R1.9 OCCCN1CC(C1)F 269982a_100000690557_100011215043 [0,0,0,1,0,0|3,0,0]=4 5565 B9R1.9 OCCCN1CC(C1)F 34a_100000690557_100000230001 [0,0,0,1,0,0|3,0,0]=4 5566 B9R1.9 OCCCN1CC(C1)O 269982a_100000749847_100011215043 [0,0,0,1,0,0|2,0,0]=3 5567 B9R1.9 OCCNC1CC(C1)F 2230a_100016993743_100000211926 [0,0,0,1,0,0|3,0,0]=4 5568 B9R1.9 OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211926 [0,0,0,1,0,0|2,0,0]=3 5569 B9R1.9 O[C@H]1C[C@@H](C1)NCCF 2230a_100020629032_100011217306 [0,0,0,1,0,0|2,0,0]=3 5570 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,0,0,1,0,0|2,0,1]=4 5571 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,0,0,1,0,0|2,0,1]=4 5572 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|0,0,2]=3 5573 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|0,0,2]=3 5574 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|1,0,2]=4 5575 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|1,0,2]=4 5576 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|1,0,2]=4 5577 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|1,0,2]=4 5578 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|1,0,2]=4 5579 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|1,0,2]=4 5580 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|1,0,2]=4 5581 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|1,0,2]=4 5582 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [0,0,0,1,0,0|2,0,0]=3 5583 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [0,0,0,1,0,0|2,0,0]=3 5584 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [0,0,0,1,0,0|2,0,0]=3 5585 B9R1.13 CC(C)CN1CCSC1 2230a_100011215254_100000210760 [0,0,0,1,0,0|3,0,0]=4 5586 B9R1.13 CC(C)CN1CCSC1 269982a_100011215254_100000210624 [0,0,0,1,0,0|3,0,0]=4 5587 B9R1.13 CC(C)CN1CCSC1 270004a_100011215254_100000210432 [0,0,0,1,0,0|3,0,0]=4 5588 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [0,0,0,1,0,0|2,0,0]=3 5589 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [0,0,0,1,0,0|2,0,0]=3 5590 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [0,0,0,1,0,0|2,0,0]=3 5591 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [0,0,0,1,0,0|2,0,0]=3 5592 B9R1.13 CC(C)NC1CCOC1 2230a_100138425928_100000731011 [0,0,0,1,0,0|3,0,0]=4 5593 B9R1.13 CC(C)NC1CCOC1 34a_100138425928_100000690089 [0,0,0,1,0,0|3,0,0]=4 5594 B9R1.13 CC(C)N[C@@H]1CCOC1 2230a_200015188469_100000210206 [0,0,0,1,0,0|3,0,0]=4 5595 B9R1.13 CC(C)N[C@H]1CCOC1 2230a_100015188467_100000210206 [0,0,0,1,0,0|3,0,0]=4 5596 B9R1.13 CC(C)N[C@H]1CCOC1 34a_100015188467_100000210206 [0,0,0,1,0,0|3,0,0]=4 5597 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [0,0,0,1,0,0|2,0,0]=3 5598 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [0,0,0,1,0,0|2,0,0]=3 5599 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [0,0,0,1,0,0|2,0,0]=3 5600 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,0,0,1,0,0|3,0,0]=4 5601 B9R1.13 CC(C)OC1CCOC1 34a_100000212225_100000690089 [0,0,0,1,0,0|3,0,0]=4 5602 B9R1.13 CC(C)OC1CCSC1 7a_100011232664_100000210206 [0,0,0,1,0,0|3,0,0]=4 5603 B9R1.13 CC(C)O[C@H]1CCOC1 34a_100000717292_100000210206 [0,0,0,1,0,0|3,0,0]=4 5604 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [0,0,0,1,0,0|2,0,0]=3 5605 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [0,0,0,1,0,0|2,0,0]=3 5606 B9R1.13 CC(C)SC1CCOC1 62a_100000210206_100000690089 [0,0,0,1,0,0|3,0,0]=4 5607 B9R1.13 CC(O)CN1CC=CC1 269982a_100015195280_100011218427 [0,0,0,1,0,0|1,0,2]=4 5608 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,0,0,1,0,0|1,0,0]=2 5609 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,0,0,1,0,0|1,0,0]=2 5610 B9R1.13 CC(O)CN1CCSC1 2230a_100011215254_100011218427 [0,0,0,1,0,0|2,0,0]=3 5611 B9R1.13 CC(O)CN1CCSC1 269982a_100011215254_100011218427 [0,0,0,1,0,0|2,0,0]=3 5612 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [0,0,0,1,0,0|2,0,0]=3 5613 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [0,0,0,1,0,0|2,0,0]=3 5614 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [0,0,0,1,0,0|3,0,0]=4 5615 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 5616 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [0,0,0,1,0,0|3,0,0]=4 5617 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 5618 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [0,0,0,1,0,0|3,0,0]=4 5619 B9R1.13 CN(C)CC1CCOC1 2230a_100000684583_200000210301 [0,0,0,1,0,0|3,0,0]=4 5620 B9R1.13 CN(C)CC1CCOC1 2230a_100102631434_100000702531 [0,0,0,1,0,0|3,0,0]=4 5621 B9R1.13 CN(C)CC1CCOC1 269982a_100000684583_200000210301 [0,0,0,1,0,0|3,0,0]=4 5622 B9R1.13 CN(C)CC1CCOC1 269982a_100102631434_100000702531 [0,0,0,1,0,0|3,0,0]=4 5623 B9R1.13 CN(C)CC1CCOC1 34a_100000684583_200000210301 [0,0,0,1,0,0|3,0,0]=4 5624 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 5625 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 5626 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [0,0,0,1,0,0|3,0,0]=4 5627 B9R1.13 CN([13CH3])CC1CCOC1 2230a_100000684583_200025704644 [0,0,0,1,0,0|3,0,0]=4 5628 B9R1.13 CN([13CH3])CC1CCOC1 269982a_100000684583_200025704644 [0,0,0,1,0,0|3,0,0]=4 5629 B9R1.13 CN([13CH3])CC1CCOC1 34a_100000684583_200025704644 [0,0,0,1,0,0|3,0,0]=4 5630 B9R1.13 C[C@@H](O)CN1CC=CC1 269982a_100015195280_100009817552 [0,0,0,1,0,0|1,0,2]=4 5631 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,0,0,1,0,0|1,0,0]=2 5632 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,0,0,1,0,0|1,0,0]=2 5633 B9R1.13 C[C@@H](O)CN1CCSC1 2230a_100011215254_100009817552 [0,0,0,1,0,0|2,0,0]=3 5634 B9R1.13 C[C@@H](O)CN1CCSC1 269982a_100011215254_100009817552 [0,0,0,1,0,0|2,0,0]=3 5635 B9R1.13 FC(F)CN1CCCC1 2230a_100000188435_100011934356 [0,0,0,1,0,0|3,0,0]=4 5636 B9R1.13 FC(F)CN1CCCC1 269982a_100000188435_100011934356 [0,0,0,1,0,0|3,0,0]=4 5637 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|0,0,2]=3 5638 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|1,0,2]=4 5639 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|1,0,2]=4 5640 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,0,0,1,0,0|3,0,0]=4 5641 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,0,0,1,0,0|3,0,0]=4 5642 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,0,0,1,0,0|3,0,0]=4 5643 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,0,0,1,0,0|3,0,0]=4 5644 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,0,0,1,0,0|2,0,0]=3 5645 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,0,0,1,0,0|2,0,0]=3 5646 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,0,0,1,0,0|2,0,0]=3 5647 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,0]=3 5648 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,0]=3 5649 B9R1.16 COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011201679 [0,0,0,1,0,0|3,0,0]=4 5650 B9R1.16 COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011201679 [0,0,0,1,0,0|3,0,0]=4 5651 B9R1.16 COCCN[C@@H]1C[C@H]1F 34a_100025746932_100011201679 [0,0,0,1,0,0|3,0,0]=4 5652 B9R1.16 CSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000751147 [0,0,0,1,0,0|3,0,0]=4 5653 B9R1.16 CSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000751147 [0,0,0,1,0,0|3,0,0]=4 5654 B9R1.16 CSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000212216 [0,0,0,1,0,0|3,0,0]=4 5655 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [0,0,0,1,0,0|3,0,0]=4 5656 B9R1.16 FCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011934791 [0,0,0,1,0,0|3,0,0]=4 5657 B9R1.16 FCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011934791 [0,0,0,1,0,0|3,0,0]=4 5658 B9R1.16 FCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011934791 [0,0,0,1,0,0|3,0,0]=4 5659 B9R1.16 OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000230001 [0,0,0,1,0,0|3,0,0]=4 5660 B9R1.16 OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000230001 [0,0,0,1,0,0|3,0,0]=4 5661 B9R1.16 OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000230001 [0,0,0,1,0,0|3,0,0]=4 5662 B9R1.24 CC1(CCCC1O[13CH3])C 34a_100000726220_200025704644 [0,0,0,1,0,0|2,0,0]=3 5663 B9R1.24 CC1(CCCC1O[13CH3])C 7a_100000726220_200025704644 [0,0,0,1,0,0|2,0,0]=3 5664 B9R1.24 CC1(CCCN1CF)C 269982a_100000761399_100015361967 [0,0,0,1,0,0|3,0,0]=4 5665 B9R1.24 CC1(CCCN1CF)C 34a_100000761399_100015361967 [0,0,0,1,0,0|3,0,0]=4 5666 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [0,0,0,1,0,0|2,0,0]=3 5667 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [0,0,0,1,0,0|2,0,0]=3 5668 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [0,0,0,1,0,0|2,0,0]=3 5669 B9R1.24 CCN1CCSC1(C)C 2230a_100011217261_100000210202 [0,0,0,1,0,0|3,0,0]=4 5670 B9R1.24 CCN1CCSC1(C)C 269982a_100011217261_100000204670 [0,0,0,1,0,0|3,0,0]=4 5671 B9R1.24 CCN1CCSC1(C)C 34a_100011217261_100000210202 [0,0,0,1,0,0|3,0,0]=4 5672 B9R1.24 CCN1COCC1(C)C 2230a_100000043020_100000210202 [0,0,0,1,0,0|3,0,0]=4 5673 B9R1.24 CCN1COCC1(C)C 269982a_100000043020_100000204670 [0,0,0,1,0,0|3,0,0]=4 5674 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [0,0,0,1,0,0|2,0,0]=3 5675 B9R1.24 CNC1CCCC1(F)F 2230a_100000767123_200000210301 [0,0,0,1,0,0|3,0,0]=4 5676 B9R1.24 CNC1CCCC1(F)F 34a_100000767123_200000210301 [0,0,0,1,0,0|3,0,0]=4 5677 B9R1.24 CNC1CCCC1(F)F 34a_100102657272_100119073726 [0,0,0,1,0,0|3,0,0]=4 5678 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,0,0,1,0,0|1,0,0]=2 5679 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,0,0,1,0,0|1,0,0]=2 5680 B9R1.24 COC1CCCC1(C)C 34a_100000726220_200000210301 [0,0,0,1,0,0|2,0,0]=3 5681 B9R1.24 COC1CCCC1(C)C 7a_100000726220_200000210301 [0,0,0,1,0,0|2,0,0]=3 5682 B9R1.24 COC1CCCC1(F)F 34a_100138415774_100119073726 [0,0,0,1,0,0|3,0,0]=4 5683 B9R1.24 CSC1CCCC1(F)F 62a_100119073726_200000210301 [0,0,0,1,0,0|3,0,0]=4 5684 B9R1.24 CSC1CCCC1(F)F 62a_200000210301_100119073726 [0,0,0,1,0,0|3,0,0]=4 5685 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,0,0,1,0,0|1,0,0]=2 5686 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,0,0,1,0,0|1,0,0]=2 5687 B9R1.24 [13CH3]NC1CCCC1(F)F 2230a_100000767123_200025704644 [0,0,0,1,0,0|3,0,0]=4 5688 B9R1.24 [13CH3]NC1CCCC1(F)F 34a_100000767123_200025704644 [0,0,0,1,0,0|3,0,0]=4 5689 B9R1.24 [13CH3]SC1CCCC1(F)F 62a_100119073726_200025704644 [0,0,0,1,0,0|3,0,0]=4 5690 B9R1.24 [13CH3]SC1CCCC1(F)F 62a_200025704644_100119073726 [0,0,0,1,0,0|3,0,0]=4 5691 B9R1.40 CC1(COCCN1[13CH3])C 2230a_100000724681_200025704644 [0,0,0,1,0,0|3,0,0]=4 5692 B9R1.40 CC1(COCCN1[13CH3])C 269982a_100000724681_200025704644 [0,0,0,1,0,0|3,0,0]=4 5693 B9R1.40 CC1(COCCN1[13CH3])C 34a_100000724681_200025704644 [0,0,0,1,0,0|3,0,0]=4 5694 B9R1.40 CN1CCOCC1(C)C 2230a_100000724681_200000210301 [0,0,0,1,0,0|3,0,0]=4 5695 B9R1.40 CN1CCOCC1(C)C 269982a_100000724681_200000210301 [0,0,0,1,0,0|3,0,0]=4 5696 B9R1.40 CN1CCOCC1(C)C 34a_100000724681_200000210301 [0,0,0,1,0,0|3,0,0]=4 5697 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|0,0,2]=3 5698 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|1,0,2]=4 5699 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|1,0,2]=4 5700 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|1,0,2]=4 5701 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|1,0,2]=4 5702 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|1,0,2]=4 5703 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|1,0,2]=4 5704 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [0,0,0,1,0,0|2,0,0]=3 5705 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [0,0,0,1,0,0|2,0,0]=3 5706 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [0,0,0,1,0,0|2,0,0]=3 5707 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [0,0,0,1,0,0|2,0,0]=3 5708 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [0,0,0,1,0,0|2,0,0]=3 5709 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [0,0,0,1,0,0|2,0,0]=3 5710 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [0,0,0,1,0,0|2,0,0]=3 5711 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [0,0,0,1,0,0|2,0,0]=3 5712 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [0,0,0,1,0,0|2,0,0]=3 5713 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [0,0,0,1,0,0|2,0,0]=3 5714 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [0,0,0,1,0,0|2,0,0]=3 5715 B9R1.41 CC(C)N1CCSC1C 2230a_200011216479_100000210206 [0,0,0,1,0,0|3,0,0]=4 5716 B9R1.41 CC(C)N1CCSC1C 269982a_200011216479_100000210206 [0,0,0,1,0,0|3,0,0]=4 5717 B9R1.41 CC(C)N1CCSC1C 34a_200011216479_100000210206 [0,0,0,1,0,0|3,0,0]=4 5718 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|0,0,2]=3 5719 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,0,0,1,0,0|3,0,0]=4 5720 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 269982a_100102631434_200016002552 [0,0,0,1,0,0|3,0,0]=4 5721 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|2,0,1]=4 5722 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|1,0,2]=4 5723 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|2,0,1]=4 5724 B9R1.46 CC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210760 [0,0,0,1,0,0|3,0,0]=4 5725 B9R1.46 CC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000210760 [0,0,0,1,0,0|3,0,0]=4 5726 B9R1.46 CC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000210624 [0,0,0,1,0,0|3,0,0]=4 5727 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,0|2,0,0]=3 5728 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,0|2,0,0]=3 5729 B9R1.46 CC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218427 [0,0,0,1,0,0|2,0,0]=3 5730 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218427 [0,0,0,1,0,0|2,0,0]=3 5731 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218427 [0,0,0,1,0,0|2,0,0]=3 5732 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817552 [0,0,0,1,0,0|2,0,0]=3 5733 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009817552 [0,0,0,1,0,0|2,0,0]=3 5734 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009817552 [0,0,0,1,0,0|2,0,0]=3 5735 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,0,1,0,0|1,0,0]=2 5736 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,0,1,0,0|1,0,0]=2 5737 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,0,0,1,0,0|2,0,0]=3 5738 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,0,0,1,0,0|2,0,0]=3 5739 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,0,1,0,0|1,0,0]=2 5740 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,0,1,0,0|1,0,0]=2 5741 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,0,0,1,0,0|2,0,0]=3 5742 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,0,0,1,0,0|2,0,0]=3 5743 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5744 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5745 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|2,0,0]=3 5746 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5747 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5748 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|2,0,0]=3 5749 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,0,0,1,0,0|2,0,1]=4 5750 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,0,0,1,0,0|2,0,1]=4 5751 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,0,0,1,0,0|2,0,0]=3 5752 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,0,0,1,0,0|2,0,0]=3 5753 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,0,0,1,0,0|1,0,0]=2 5754 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,0,0,1,0,0|1,0,0]=2 5755 B9R1.67 CC1CCN1CC(F)F 269982a_100000755817_100011934356 [0,0,0,1,0,0|3,0,0]=4 5756 B9R1.67 CC1CCN1CC(F)F 34a_100000755817_100011934356 [0,0,0,1,0,0|3,0,0]=4 5757 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,0,0,1,0,0|1,0,0]=2 5758 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,0,0,1,0,0|1,0,0]=2 5759 B9R1.77 CC1(CC1COCF)C 34a_100000728257_100015361967 [0,0,0,1,0,0|3,0,0]=4 5760 B9R1.77 CC1(CC1COCF)C 7a_100000728257_100015361967 [0,0,0,1,0,0|3,0,0]=4 5761 B9R1.77 CCCNC1CC1(F)F 2230a_100020610826_100000210303 [0,0,0,1,0,0|3,0,0]=4 5762 B9R1.77 CCCNC1CC1(F)F 34a_100020610826_100000210303 [0,0,0,1,0,0|3,0,0]=4 5763 B9R1.77 CCNCC1CC1(F)F 2230a_100015525214_100009817841 [0,0,0,1,0,0|3,0,0]=4 5764 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,0,0,1,0,0|2,0,0]=3 5765 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,0,0,1,0,0|2,0,0]=3 5766 B9R1.77 CCOCC1CC1(F)F 34a_100000056500_100000210202 [0,0,0,1,0,0|3,0,0]=4 5767 B9R1.77 CCOCC1CC1(F)F 34a_100121572206_100009817841 [0,0,0,1,0,0|3,0,0]=4 5768 B9R1.77 CCOCC1CC1(F)F 7a_100000056500_100000210202 [0,0,0,1,0,0|3,0,0]=4 5769 B9R1.77 CCOCC1OC1(C)C 34a_200010283642_100000210202 [0,0,0,1,0,0|3,0,0]=4 5770 B9R1.77 CCOCC1OC1(C)C 7a_200010283642_100000210202 [0,0,0,1,0,0|3,0,0]=4 5771 B9R1.77 CCSCC1CC1(F)F 62a_100000210202_100009817841 [0,0,0,1,0,0|3,0,0]=4 5772 B9R1.77 CCSCC1CC1(F)F 62a_100009817841_100000210202 [0,0,0,1,0,0|3,0,0]=4 5773 B9R1.77 COCCC1CC1(F)F 34a_100009864177_200000210301 [0,0,0,1,0,0|3,0,0]=4 5774 B9R1.77 COCCC1CC1(F)F 7a_100009864177_200000210301 [0,0,0,1,0,0|3,0,0]=4 5775 B9R1.77 [13CH3]OCCC1CC1(F)F 34a_100009864177_200025704644 [0,0,0,1,0,0|3,0,0]=4 5776 B9R1.77 [13CH3]OCCC1CC1(F)F 7a_100009864177_200025704644 [0,0,0,1,0,0|3,0,0]=4 5777 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [0,0,0,1,0,0|3,0,0]=4 5778 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [0,0,0,1,0,0|3,0,0]=4 5779 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [0,0,0,1,0,0|2,0,0]=3 5780 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [0,0,0,1,0,0|3,0,0]=4 5781 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [0,0,0,1,0,0|2,0,0]=3 5782 B9R1.83 C#CCCNCC1CO1 34a_100000755551_102125554688 [0,0,0,1,0,0|1,0,2]=4 5783 B9R1.83 C#CCCOCC1CO1 34a_100011215631_102125554688 [0,0,0,1,0,0|1,0,2]=4 5784 B9R1.83 C#CCCOC[C@@H]1CO1 34a_100000757423_100000688953 [0,0,0,1,0,0|1,0,2]=4 5785 B9R1.83 C#CCCSCC1CO1 62a_100000688953_102125554688 [0,0,0,1,0,0|1,0,2]=4 5786 B9R1.83 C#CCCSCC1CO1 62a_102125554688_100000688953 [0,0,0,1,0,0|1,0,2]=4 5787 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000688953_100000745022 [0,0,0,1,0,0|1,0,2]=4 5788 B9R1.83 C#CCCSC[C@@H]1CO1 62a_100000745022_100000688953 [0,0,0,1,0,0|1,0,2]=4 5789 B9R1.83 C#CCNCCC1CO1 34a_100000212058_100000732470 [0,0,0,1,0,0|1,0,2]=4 5790 B9R1.83 C#CCOCCC1CO1 34a_100000210247_100000732470 [0,0,0,1,0,0|1,0,2]=4 5791 B9R1.83 C#CCOCC[C@@H]1CO1 34a_100009820653_100000184674 [0,0,0,1,0,0|1,0,2]=4 5792 B9R1.83 C#CCSCCC1CO1 62a_100000038162_100000732470 [0,0,0,1,0,0|1,0,2]=4 5793 B9R1.83 C/C=C/COCC1CO1 34a_100016270725_102125554688 [0,0,0,1,0,0|1,0,2]=4 5794 B9R1.83 C/C=C/COC[C@@H]1CO1 34a_100000757423_100102629194 [0,0,0,1,0,0|1,0,2]=4 5795 B9R1.83 C/C=C/CSCC1CO1 62a_100102629194_102125554688 [0,0,0,1,0,0|1,0,2]=4 5796 B9R1.83 C/C=C/CSCC1CO1 62a_102125554688_100102629194 [0,0,0,1,0,0|1,0,2]=4 5797 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100000745022_100102629194 [0,0,0,1,0,0|1,0,2]=4 5798 B9R1.83 C/C=C/CSC[C@@H]1CO1 62a_100102629194_100000745022 [0,0,0,1,0,0|1,0,2]=4 5799 B9R1.83 C=CCCNCC1CO1 2230a_100015191253_100011216344 [0,0,0,1,0,0|1,0,2]=4 5800 B9R1.83 C=CCCOCC1CO1 34a_100011205117_102125554688 [0,0,0,1,0,0|1,0,2]=4 5801 B9R1.83 C=CCCOC[C@@H]1CO1 34a_100000757423_100000754431 [0,0,0,1,0,0|1,0,2]=4 5802 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [0,0,0,1,0,0|1,0,2]=4 5803 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [0,0,0,1,0,0|1,0,2]=4 5804 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [0,0,0,1,0,0|1,0,2]=4 5805 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [0,0,0,1,0,0|1,0,2]=4 5806 B9R1.83 C=CCNCCC1CO1 2230a_100020586998_100000732470 [0,0,0,1,0,0|1,0,2]=4 5807 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [0,0,0,1,0,0|1,0,2]=4 5808 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [0,0,0,1,0,0|1,0,2]=4 5809 B9R1.83 C=CCSCCC1CO1 62a_100000210623_100000732470 [0,0,0,1,0,0|1,0,2]=4 5810 B9R1.83 C=CCSCCC1CO1 62a_100000732470_100000210623 [0,0,0,1,0,0|1,0,2]=4 5811 B9R1.83 CC#CCNCC1CO1 2230a_100000685387_100011216344 [0,0,0,1,0,0|1,0,2]=4 5812 B9R1.83 CC#CCNCC1CO1 34a_100000685387_102125554688 [0,0,0,1,0,0|1,0,2]=4 5813 B9R1.83 CC#CCOCC1CO1 34a_100000761923_102125554688 [0,0,0,1,0,0|1,0,2]=4 5814 B9R1.83 CC#CCOC[C@@H]1CO1 34a_100000757423_100000748600 [0,0,0,1,0,0|1,0,2]=4 5815 B9R1.83 CC#CCSCC1CO1 62a_100000748600_102125554688 [0,0,0,1,0,0|1,0,2]=4 5816 B9R1.83 CC#CCSCC1CO1 62a_102125554688_100000748600 [0,0,0,1,0,0|1,0,2]=4 5817 B9R1.83 CC#CCSC[C@@H]1CO1 62a_100000745022_100000748600 [0,0,0,1,0,0|1,0,2]=4 5818 B9R1.83 CC#CCSC[C@@H]1CO1 62a_100000748600_100000745022 [0,0,0,1,0,0|1,0,2]=4 5819 B9R1.83 CC=CCOC[C@@H]1CO1 34a_100000757423_100000070051 [0,0,0,1,0,0|1,0,2]=4 5820 B9R1.83 CC=CCSCC1CO1 62a_100000070051_102125554688 [0,0,0,1,0,0|1,0,2]=4 5821 B9R1.83 CC=CCSCC1CO1 62a_102125554688_100000070051 [0,0,0,1,0,0|1,0,2]=4 5822 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000070051_100000745022 [0,0,0,1,0,0|1,0,2]=4 5823 B9R1.83 CC=CCSC[C@@H]1CO1 62a_100000745022_100000070051 [0,0,0,1,0,0|1,0,2]=4 5824 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,0,0,1,0,0|2,0,0]=3 5825 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,0,0,1,0,0|2,0,0]=3 5826 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,0,0,1,0,0|2,0,0]=3 5827 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [0,0,0,1,0,0|2,0,0]=3 5828 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [0,0,0,1,0,0|2,0,0]=3 5829 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [0,0,0,1,0,0|2,0,0]=3 5830 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [0,0,0,1,0,0|2,0,0]=3 5831 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [0,0,0,1,0,0|2,0,0]=3 5832 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|1,0,0]=2 5833 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|1,0,0]=2 5834 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [0,0,0,1,0,0|1,1,0]=3 5835 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|1,0,0]=2 5836 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [0,0,0,1,0,0|2,0,0]=3 5837 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [0,0,0,1,0,0|2,0,0]=3 5838 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [0,0,0,1,0,0|2,0,0]=3 5839 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|1,0,0]=2 5840 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|1,0,0]=2 5841 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [0,0,0,1,0,0|1,1,0]=3 5842 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|1,0,0]=2 5843 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|1,0,0]=2 5844 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [0,0,0,1,0,0|2,0,0]=3 5845 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [0,0,0,1,0,0|2,0,0]=3 5846 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|1,0,0]=2 5847 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|1,0,0]=2 5848 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [0,0,0,1,0,0|1,1,0]=3 5849 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [0,0,0,1,0,0|1,1,0]=3 5850 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|1,0,0]=2 5851 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|1,0,0]=2 5852 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,0,0,1,0,0|2,0,0]=3 5853 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,0,0,1,0,0|2,0,0]=3 5854 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,0,0,1,0,0|2,0,0]=3 5855 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,0,0,1,0,0|2,0,0]=3 5856 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|1,0,0]=2 5857 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|1,0,0]=2 5858 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,0,0,1,0,0|2,0,0]=3 5859 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,0,0,1,0,0|2,0,0]=3 5860 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|1,0,0]=2 5861 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|1,0,0]=2 5862 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|1,0,0]=2 5863 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|1,0,0]=2 5864 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [0,0,0,1,0,0|3,0,0]=4 5865 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [0,0,0,1,0,0|3,0,0]=4 5866 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [0,0,0,1,0,0|3,0,0]=4 5867 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [0,0,0,1,0,0|3,0,0]=4 5868 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [0,0,0,1,0,0|3,0,0]=4 5869 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [0,0,0,1,0,0|3,0,0]=4 5870 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [0,0,0,1,0,0|3,0,0]=4 5871 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [0,0,0,1,0,0|2,0,0]=3 5872 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [0,0,0,1,0,0|2,0,0]=3 5873 B9R1.83 CCOCSCC1CS1 62a_100000031435_100000739092 [0,0,0,1,0,0|2,1,0]=4 5874 B9R1.83 CCOCSCC1CS1 62a_100000739092_100000031435 [0,0,0,1,0,0|2,1,0]=4 5875 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [0,0,0,1,0,0|2,0,0]=3 5876 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [0,0,0,1,0,0|2,0,0]=3 5877 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|1,0,0]=2 5878 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|1,0,0]=2 5879 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [0,0,0,1,0,0|3,0,0]=4 5880 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [0,0,0,1,0,0|3,0,0]=4 5881 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [0,0,0,1,0,0|3,0,0]=4 5882 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [0,0,0,1,0,0|3,0,0]=4 5883 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [0,0,0,1,0,0|3,0,0]=4 5884 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [0,0,0,1,0,0|3,0,0]=4 5885 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [0,0,0,1,0,0|3,0,0]=4 5886 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [0,0,0,1,0,0|3,0,0]=4 5887 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [0,0,0,1,0,0|3,0,0]=4 5888 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [0,0,0,1,0,0|3,0,0]=4 5889 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [0,0,0,1,0,0|3,0,0]=4 5890 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [0,0,0,1,0,0|3,0,0]=4 5891 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [0,0,0,1,0,0|2,0,0]=3 5892 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [0,0,0,1,0,0|3,0,0]=4 5893 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [0,0,0,1,0,0|3,0,0]=4 5894 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [0,0,0,1,0,0|2,0,0]=3 5895 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [0,0,0,1,0,0|2,0,0]=3 5896 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [0,0,0,1,0,0|3,0,0]=4 5897 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [0,0,0,1,0,0|3,0,0]=4 5898 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [0,0,0,1,0,0|2,0,0]=3 5899 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [0,0,0,1,0,0|2,0,0]=3 5900 B9R1.83 COCCSCC1CS1 62a_100000031435_100000233755 [0,0,0,1,0,0|2,1,0]=4 5901 B9R1.83 COCCSCC1CS1 62a_100000233755_100000031435 [0,0,0,1,0,0|2,1,0]=4 5902 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [0,0,0,1,0,0|2,0,0]=3 5903 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [0,0,0,1,0,0|2,0,0]=3 5904 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [0,0,0,1,0,0|3,0,0]=4 5905 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [0,0,0,1,0,0|3,0,0]=4 5906 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [0,0,0,1,0,0|2,0,0]=3 5907 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [0,0,0,1,0,0|2,0,0]=3 5908 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [0,0,0,1,0,0|3,0,0]=4 5909 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [0,0,0,1,0,0|3,0,0]=4 5910 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [0,0,0,1,0,0|3,0,0]=4 5911 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [0,0,0,1,0,0|3,0,0]=4 5912 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [0,0,0,1,0,0|3,0,0]=4 5913 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [0,0,0,1,0,0|2,0,0]=3 5914 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [0,0,0,1,0,0|3,0,0]=4 5915 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [0,0,0,1,0,0|3,0,0]=4 5916 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [0,0,0,1,0,0|3,0,0]=4 5917 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [0,0,0,1,0,0|2,0,0]=3 5918 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [0,0,0,1,0,0|2,0,0]=3 5919 B9R1.83 CSCCOCC1CS1 7a_100000230434_100000031435 [0,0,0,1,0,0|2,1,0]=4 5920 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [0,0,0,1,0,0|2,0,0]=3 5921 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [0,0,0,1,0,0|2,0,0]=3 5922 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [0,0,0,1,0,0|3,0,0]=4 5923 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [0,0,0,1,0,0|3,0,0]=4 5924 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [0,0,0,1,0,0|2,0,0]=3 5925 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [0,0,0,1,0,0|2,0,0]=3 5926 B9R1.83 CSCCSCC1CS1 62a_100000031435_100000751147 [0,0,0,1,0,0|2,1,0]=4 5927 B9R1.83 CSCCSCC1CS1 62a_100000212216_100000031435 [0,0,0,1,0,0|2,1,0]=4 5928 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [0,0,0,1,0,0|2,0,0]=3 5929 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [0,0,0,1,0,0|2,0,0]=3 5930 B9R1.83 CSCNCCC1CC1 34a_100000764129_100011218213 [0,0,0,1,0,0|3,0,0]=4 5931 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [0,0,0,1,0,0|3,0,0]=4 5932 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [0,0,0,1,0,0|2,0,0]=3 5933 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [0,0,0,1,0,0|3,0,0]=4 5934 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [0,0,0,1,0,0|3,0,0]=4 5935 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [0,0,0,1,0,0|2,0,0]=3 5936 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [0,0,0,1,0,0|2,0,0]=3 5937 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [0,0,0,1,0,0|3,0,0]=4 5938 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [0,0,0,1,0,0|3,0,0]=4 5939 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [0,0,0,1,0,0|2,0,0]=3 5940 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [0,0,0,1,0,0|3,0,0]=4 5941 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [0,0,0,1,0,0|3,0,0]=4 5942 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [0,0,0,1,0,0|3,0,0]=4 5943 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [0,0,0,1,0,0|3,0,0]=4 5944 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [0,0,0,1,0,0|3,0,0]=4 5945 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [0,0,0,1,0,0|3,0,0]=4 5946 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [0,0,0,1,0,0|3,0,0]=4 5947 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [0,0,0,1,0,0|3,0,0]=4 5948 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [0,0,0,1,0,0|2,0,0]=3 5949 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [0,0,0,1,0,0|2,0,0]=3 5950 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [0,0,0,1,0,0|3,0,0]=4 5951 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [0,0,0,1,0,0|3,0,0]=4 5952 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [0,0,0,1,0,0|2,0,0]=3 5953 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [0,0,0,1,0,0|2,0,0]=3 5954 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [0,0,0,1,0,0|3,0,0]=4 5955 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [0,0,0,1,0,0|3,0,0]=4 5956 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [0,0,0,1,0,0|2,0,0]=3 5957 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [0,0,0,1,0,0|2,0,0]=3 5958 B9R1.83 FCCCSCC1CS1 62a_100000031435_100011934791 [0,0,0,1,0,0|2,1,0]=4 5959 B9R1.83 FCCCSCC1CS1 62a_100011934791_100000031435 [0,0,0,1,0,0|2,1,0]=4 5960 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [0,0,0,1,0,0|2,0,0]=3 5961 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [0,0,0,1,0,0|2,0,0]=3 5962 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [0,0,0,1,0,0|3,0,0]=4 5963 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [0,0,0,1,0,0|3,0,0]=4 5964 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [0,0,0,1,0,0|2,0,0]=3 5965 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [0,0,0,1,0,0|3,0,0]=4 5966 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [0,0,0,1,0,0|3,0,0]=4 5967 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [0,0,0,1,0,0|2,0,0]=3 5968 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [0,0,0,1,0,0|3,0,0]=4 5969 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [0,0,0,1,0,0|3,0,0]=4 5970 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [0,0,0,1,0,0|2,0,0]=3 5971 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [0,0,0,1,0,0|2,0,0]=3 5972 B9R1.83 FCSCCCC1CO1 62a_100000733510_100015361967 [0,0,0,1,0,0|2,0,0]=3 5973 B9R1.83 FCSCCCC1CO1 62a_100015361967_100000733510 [0,0,0,1,0,0|2,0,0]=3 5974 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [0,0,0,1,0,0|3,0,0]=4 5975 B9R1.83 N#CCCSCC1CO1 62a_100011215226_102125554688 [0,0,0,1,0,0|2,0,1]=4 5976 B9R1.83 N#CCCSCC1CO1 62a_102125554688_100011215226 [0,0,0,1,0,0|2,0,1]=4 5977 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100000745022_100011215226 [0,0,0,1,0,0|2,0,1]=4 5978 B9R1.83 N#CCCSC[C@@H]1CO1 62a_100011215226_100000745022 [0,0,0,1,0,0|2,0,1]=4 5979 B9R1.83 N#CCSCCC1CO1 62a_100000732470_100011215382 [0,0,0,1,0,0|2,0,1]=4 5980 B9R1.83 N#CCSCCC1CO1 62a_100011215382_100000732470 [0,0,0,1,0,0|2,0,1]=4 5981 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|3,0,0]=4 5982 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [0,0,0,1,0,0|3,0,0]=4 5983 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [0,0,0,1,0,0|2,0,0]=3 5984 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [0,0,0,1,0,0|3,0,0]=4 5985 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [0,0,0,1,0,0|2,0,0]=3 5986 B9R1.83 NOCCOCC1CO1 34a_100000700252_102125554688 [0,0,0,1,0,0|3,0,0]=4 5987 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [0,0,0,1,0,0|2,0,1]=4 5988 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [0,0,0,1,0,0|2,0,1]=4 5989 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [0,0,0,1,0,0|2,0,1]=4 5990 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [0,0,0,1,0,0|3,0,0]=4 5991 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|3,0,0]=4 5992 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,0,0,1,0,0|3,0,0]=4 5993 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [0,0,0,1,0,0|3,0,0]=4 5994 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [0,0,0,1,0,0|3,0,0]=4 5995 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [0,0,0,1,0,0|3,0,0]=4 5996 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,0,0,1,0,0|3,0,0]=4 5997 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [0,0,0,1,0,0|2,0,0]=3 5998 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,0,0,1,0,0|3,0,0]=4 5999 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,0,0,1,0,0|3,0,0]=4 6000 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,0,0,1,0,0|2,0,0]=3 6001 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,0,0,1,0,0|2,0,0]=3 6002 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [0,0,0,1,0,0|2,1,0]=4 6003 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [0,0,0,1,0,0|2,1,0]=4 6004 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,0,0,1,0,0|2,0,0]=3 6005 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,0,0,1,0,0|2,0,0]=3 6006 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [0,0,0,1,0,0|3,0,0]=4 6007 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [0,0,0,1,0,0|3,0,0]=4 6008 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [0,0,0,1,0,0|3,0,0]=4 6009 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [0,0,0,1,0,0|2,0,0]=3 6010 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [0,0,0,1,0,0|2,0,0]=3 6011 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,0,0,1,0,0|3,0,0]=4 6012 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,0,0,1,0,0|3,0,0]=4 6013 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [0,0,0,1,0,0|2,0,0]=3 6014 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,0,0,1,0,0|3,0,0]=4 6015 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,0,0,1,0,0|3,0,0]=4 6016 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,0,0,1,0,0|2,0,0]=3 6017 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,0,0,1,0,0|2,0,0]=3 6018 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,0,0,1,0,0|2,0,1]=4 6019 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,0,0,1,0,0|2,0,1]=4 6020 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,0,0,1,0,0|2,0,1]=4 6021 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,0,0,1,0,0|2,0,1]=4 6022 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,0,0,1,0,0|2,0,1]=4 6023 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,0,0,1,0,0|2,0,1]=4 6024 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|1,0,2]=4 6025 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|1,0,2]=4 6026 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|1,0,2]=4 6027 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|1,0,2]=4 6028 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|1,0,2]=4 6029 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|1,0,2]=4 6030 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [0,0,0,1,0,0|2,0,0]=3 6031 B9R1.84 CC(Br)COC1COC1 34a_100012180447_100009818527 [0,0,0,1,0,0|3,0,0]=4 6032 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [0,0,0,1,0,0|2,0,0]=3 6033 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [0,0,0,1,0,0|2,0,0]=3 6034 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [0,0,0,1,0,0|2,0,0]=3 6035 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [0,0,0,1,0,0|2,0,0]=3 6036 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [0,0,0,1,0,0|2,0,0]=3 6037 B9R1.84 CC(C)CNC1COC1 2230a_100016991112_100000210760 [0,0,0,1,0,0|3,0,0]=4 6038 B9R1.84 CC(C)CNC1COC1 270004a_100016991112_100000210432 [0,0,0,1,0,0|3,0,0]=4 6039 B9R1.84 CC(C)CNC1COC1 34a_100000210953_100009818527 [0,0,0,1,0,0|3,0,0]=4 6040 B9R1.84 CC(C)CNC1CSC1 270004a_100016994217_100000210432 [0,0,0,1,0,0|3,0,0]=4 6041 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,0,0,1,0,0|2,0,0]=3 6042 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,0,0,1,0,0|2,0,0]=3 6043 B9R1.84 CC(C)COC1COC1 34a_100000210257_100009818527 [0,0,0,1,0,0|3,0,0]=4 6044 B9R1.84 CC(C)COC1CSC1 7a_100000072292_100000210760 [0,0,0,1,0,0|3,0,0]=4 6045 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [0,0,0,1,0,0|2,0,0]=3 6046 B9R1.84 CC(C)CSC1COC1 62a_100000210624_100009818527 [0,0,0,1,0,0|3,0,0]=4 6047 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [0,0,0,1,0,0|2,0,0]=3 6048 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [0,0,0,1,0,0|2,0,0]=3 6049 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [0,0,0,1,0,0|2,0,0]=3 6050 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [0,0,0,1,0,0|2,0,0]=3 6051 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,0,0,1,0,0|3,0,0]=4 6052 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,0,0,1,0,0|3,0,0]=4 6053 B9R1.84 CC(C)NCC1COC1 2230a_100015281925_100000210206 [0,0,0,1,0,0|3,0,0]=4 6054 B9R1.84 CC(C)NCC1COC1 2230a_100138425928_100010264016 [0,0,0,1,0,0|3,0,0]=4 6055 B9R1.84 CC(C)NCC1COC1 34a_100015281925_100000210206 [0,0,0,1,0,0|3,0,0]=4 6056 B9R1.84 CC(C)NCC1COC1 34a_100138425928_100010264016 [0,0,0,1,0,0|3,0,0]=4 6057 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,0,0,1,0,0|3,0,0]=4 6058 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,0,0,1,0,0|3,0,0]=4 6059 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,0,0,1,0,0|2,0,0]=3 6060 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,0,0,1,0,0|2,0,0]=3 6061 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,0,0,1,0,0|3,0,0]=4 6062 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,0,0,1,0,0|3,0,0]=4 6063 B9R1.84 CC(C)OCC1CNC1 34a_100016987283_100000210206 [0,0,0,1,0,0|3,0,0]=4 6064 B9R1.84 CC(C)OCC1COC1 34a_100000060846_100000210206 [0,0,0,1,0,0|3,0,0]=4 6065 B9R1.84 CC(C)OCC1COC1 34a_100000212225_100010264016 [0,0,0,1,0,0|3,0,0]=4 6066 B9R1.84 CC(C)OCN1CCC1 269982a_100000754969_100000709892 [0,0,0,1,0,0|3,0,0]=4 6067 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [0,0,0,1,0,0|2,0,0]=3 6068 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [0,0,0,1,0,0|2,0,0]=3 6069 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,0,0,1,0,0|3,0,0]=4 6070 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,0,0,1,0,0|3,0,0]=4 6071 B9R1.84 CC(C)SCC1COC1 62a_100000210206_100010264016 [0,0,0,1,0,0|3,0,0]=4 6072 B9R1.84 CC(C)SCC1COC1 62a_100010264016_100000210206 [0,0,0,1,0,0|3,0,0]=4 6073 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [0,0,0,1,0,0|2,0,0]=3 6074 B9R1.84 CC(F)COC1COC1 34a_100015925927_100009818527 [0,0,0,1,0,0|3,0,0]=4 6075 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,0,0,1,0,0|1,0,0]=2 6076 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,0,0,1,0,0|1,0,0]=2 6077 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,0,0,1,0,0|1,0,0]=2 6078 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,0,0,1,0,0|1,0,0]=2 6079 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,0,0,1,0,0|1,0,0]=2 6080 B9R1.84 CC(O)CNC1COC1 2230a_100016991112_100011218427 [0,0,0,1,0,0|2,0,0]=3 6081 B9R1.84 CC(O)CNC1COC1 34a_100000210904_100009818527 [0,0,0,1,0,0|2,0,0]=3 6082 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,0,0,1,0,0|1,0,0]=2 6083 B9R1.84 CC(O)COC1CSC1 7a_100000072292_100011218427 [0,0,0,1,0,0|2,0,0]=3 6084 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,0,0,1,0,0|1,0,0]=2 6085 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [0,0,0,1,0,0|2,0,0]=3 6086 B9R1.84 CN(C)CCN1CCC1 269982a_100000754969_100000755713 [0,0,0,1,0,0|3,0,0]=4 6087 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [0,0,0,1,0,0|2,0,0]=3 6088 B9R1.84 C[C@@H](Cl)COC1COC1 34a_100016084084_100009818527 [0,0,0,1,0,0|3,0,0]=4 6089 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [0,0,0,1,0,0|2,0,0]=3 6090 B9R1.84 C[C@@H](N)COC1COC1 34a_100000737577_100009818527 [0,0,0,1,0,0|3,0,0]=4 6091 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,0,0,1,0,0|1,0,0]=2 6092 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,0,0,1,0,0|1,0,0]=2 6093 B9R1.84 C[C@@H](O)CNC1COC1 2230a_100016991112_100009817552 [0,0,0,1,0,0|2,0,0]=3 6094 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,0,0,1,0,0|1,0,0]=2 6095 B9R1.84 C[C@@H](O)COC1CSC1 7a_100000072292_100009817552 [0,0,0,1,0,0|2,0,0]=3 6096 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,0,0,1,0,0|1,0,0]=2 6097 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [0,0,0,1,0,0|2,0,0]=3 6098 B9R1.84 FC(F)CNC1CCC1 2230a_100000749019_100011934356 [0,0,0,1,0,0|3,0,0]=4 6099 B9R1.84 FC(F)CNC1CCC1 270004a_100000765723_100000241760 [0,0,0,1,0,0|3,0,0]=4 6100 B9R1.84 FC(F)CNC1CCC1 34a_100000749019_100011934356 [0,0,0,1,0,0|3,0,0]=4 6101 B9R1.84 FC(F)CNC1CCC1 34a_100000765723_100000749161 [0,0,0,1,0,0|3,0,0]=4 6102 B9R1.84 FC(F)COC1CCC1 34a_100000743014_100000749161 [0,0,0,1,0,0|3,0,0]=4 6103 B9R1.84 FC(F)COC1CCC1 34a_100000748187_100011934356 [0,0,0,1,0,0|3,0,0]=4 6104 B9R1.84 FC(F)CSC1CCC1 62a_100011934356_100000749161 [0,0,0,1,0,0|3,0,0]=4 6105 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,0|2,0,1]=4 6106 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,0|2,0,1]=4 6107 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,0|2,0,1]=4 6108 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,0|2,0,1]=4 6109 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,0|2,0,1]=4 6110 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,0|2,0,1]=4 6111 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,0|2,0,1]=4 6112 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,0|2,0,1]=4 6113 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,0|2,0,1]=4 6114 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,0|2,0,1]=4 6115 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|1,0,2]=4 6116 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|1,0,2]=4 6117 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|1,0,2]=4 6118 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|1,0,2]=4 6119 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|1,0,2]=4 6120 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|1,0,2]=4 6121 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|1,0,2]=4 6122 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|1,0,2]=4 6123 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [0,0,0,1,0,0|2,0,0]=3 6124 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [0,0,0,1,0,0|2,0,0]=3 6125 B9R1.85 CC(Br)COCC1CO1 34a_100012180447_102125554688 [0,0,0,1,0,0|3,0,0]=4 6126 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,0,0,1,0,0|2,0,0]=3 6127 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,0,0,1,0,0|2,0,0]=3 6128 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,0,0,1,0,0|2,0,0]=3 6129 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [0,0,0,1,0,0|2,0,0]=3 6130 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [0,0,0,1,0,0|2,0,0]=3 6131 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [0,0,0,1,0,0|2,0,0]=3 6132 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [0,0,0,1,0,0|2,0,0]=3 6133 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [0,0,0,1,0,0|2,0,0]=3 6134 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [0,0,0,1,0,0|2,0,0]=3 6135 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [0,0,0,1,0,0|3,0,0]=4 6136 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [0,0,0,1,0,0|3,0,0]=4 6137 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [0,0,0,1,0,0|2,0,0]=3 6138 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [0,0,0,1,0,0|2,0,0]=3 6139 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [0,0,0,1,0,0|3,0,0]=4 6140 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [0,0,0,1,0,0|3,0,0]=4 6141 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [0,0,0,1,0,0|2,0,0]=3 6142 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [0,0,0,1,0,0|2,0,0]=3 6143 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,0,0,1,0,0|3,0,0]=4 6144 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,0,0,1,0,0|3,0,0]=4 6145 B9R1.85 CC(C)CSCC1CS1 62a_100000031435_100000210760 [0,0,0,1,0,0|3,0,0]=4 6146 B9R1.85 CC(C)CSCC1CS1 62a_100000210624_100000031435 [0,0,0,1,0,0|3,0,0]=4 6147 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,0,0,1,0,0|3,0,0]=4 6148 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,0,0,1,0,0|3,0,0]=4 6149 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [0,0,0,1,0,0|2,0,0]=3 6150 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [0,0,0,1,0,0|2,0,0]=3 6151 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [0,0,0,1,0,0|2,0,0]=3 6152 B9R1.85 CC(C)NCCC1CO1 2230a_100138425928_100000732470 [0,0,0,1,0,0|3,0,0]=4 6153 B9R1.85 CC(C)NCCC1CO1 34a_100138425928_100000732470 [0,0,0,1,0,0|3,0,0]=4 6154 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,0|2,0,0]=3 6155 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,0|2,0,0]=3 6156 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,0|2,0,0]=3 6157 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,0,0,1,0,0|3,0,0]=4 6158 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,0,0,1,0,0|3,0,0]=4 6159 B9R1.85 CC(C)OCNC1CC1 34a_100000212008_100000709892 [0,0,0,1,0,0|3,0,0]=4 6160 B9R1.85 CC(C)OCSC1CC1 62a_100000709892_100000211595 [0,0,0,1,0,0|3,0,0]=4 6161 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [0,0,0,1,0,0|2,0,0]=3 6162 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [0,0,0,1,0,0|2,0,0]=3 6163 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [0,0,0,1,0,0|3,0,0]=4 6164 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [0,0,0,1,0,0|3,0,0]=4 6165 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [0,0,0,1,0,0|2,0,0]=3 6166 B9R1.85 CC(F)COCC1CO1 34a_100015925927_102125554688 [0,0,0,1,0,0|3,0,0]=4 6167 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,0,1,0,0|1,0,0]=2 6168 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,0|1,0,0]=2 6169 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,0,0,1,0,0|1,0,0]=2 6170 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,0,0,1,0,0|1,0,0]=2 6171 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,0,0,1,0,0|1,0,0]=2 6172 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,0|1,0,0]=2 6173 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,0,0,1,0,0|1,0,0]=2 6174 B9R1.85 CC(O)CNCC1CO1 2230a_100000210904_100011216344 [0,0,0,1,0,0|2,0,0]=3 6175 B9R1.85 CC(O)CNCC1CO1 34a_100000210904_102125554688 [0,0,0,1,0,0|2,0,0]=3 6176 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,0|1,0,0]=2 6177 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [0,0,0,1,0,0|2,0,0]=3 6178 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,0|1,0,0]=2 6179 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,0|1,0,0]=2 6180 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [0,0,0,1,0,0|2,0,0]=3 6181 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [0,0,0,1,0,0|2,0,0]=3 6182 B9R1.85 CC(O)CSCC1CS1 62a_100000031435_100011218427 [0,0,0,1,0,0|2,0,0]=3 6183 B9R1.85 CC(O)CSCC1CS1 62a_100011218427_100000031435 [0,0,0,1,0,0|2,0,0]=3 6184 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [0,0,0,1,0,0|2,0,0]=3 6185 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [0,0,0,1,0,0|2,0,0]=3 6186 B9R1.85 CN(C)CCCC1CO1 2230a_100102631434_100000733510 [0,0,0,1,0,0|3,0,0]=4 6187 B9R1.85 CN(C)CCCC1CO1 269982a_100102631434_100000733510 [0,0,0,1,0,0|3,0,0]=4 6188 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [0,0,0,1,0,0|2,0,0]=3 6189 B9R1.85 C[C@@H](Cl)COCC1CO1 34a_100016084084_102125554688 [0,0,0,1,0,0|3,0,0]=4 6190 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [0,0,0,1,0,0|2,0,0]=3 6191 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [0,0,0,1,0,0|2,0,0]=3 6192 B9R1.85 C[C@@H](N)COCC1CO1 34a_100000737577_102125554688 [0,0,0,1,0,0|3,0,0]=4 6193 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,0,0,1,0,0|1,0,0]=2 6194 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,0,0,1,0,0|1,0,0]=2 6195 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,0|1,0,0]=2 6196 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [0,0,0,1,0,0|2,0,0]=3 6197 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,0|1,0,0]=2 6198 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,0|1,0,0]=2 6199 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [0,0,0,1,0,0|2,0,0]=3 6200 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [0,0,0,1,0,0|2,0,0]=3 6201 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100000031435_100009817552 [0,0,0,1,0,0|2,0,0]=3 6202 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100009817552_100000031435 [0,0,0,1,0,0|2,0,0]=3 6203 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [0,0,0,1,0,0|2,0,0]=3 6204 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [0,0,0,1,0,0|2,0,0]=3 6205 B9R1.85 FC(F)CCOC1CC1 34a_100103093639_100000211595 [0,0,0,1,0,0|3,0,0]=4 6206 B9R1.85 FC(F)CNCC1CC1 2230a_100000735609_100011934356 [0,0,0,1,0,0|3,0,0]=4 6207 B9R1.85 FC(F)CNCC1CC1 34a_100000735609_100011934356 [0,0,0,1,0,0|3,0,0]=4 6208 B9R1.85 FC(F)CNCC1CC1 34a_100000765723_100000742324 [0,0,0,1,0,0|3,0,0]=4 6209 B9R1.85 FC(F)COCC1CC1 34a_100000211283_100011934356 [0,0,0,1,0,0|3,0,0]=4 6210 B9R1.85 FC(F)COCC1CC1 34a_100000743014_100000742324 [0,0,0,1,0,0|3,0,0]=4 6211 B9R1.85 FC(F)CSCC1CC1 62a_100000756562_100011934356 [0,0,0,1,0,0|3,0,0]=4 6212 B9R1.85 FC(F)CSCC1CC1 62a_100011934356_100000742324 [0,0,0,1,0,0|3,0,0]=4 6213 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|2,0,1]=4 6214 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|1,0,2]=4 6215 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|2,0,1]=4 6216 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 6217 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 6218 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 6219 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 6220 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 6221 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 6222 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 6223 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 6224 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 6225 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 6226 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 6227 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 6228 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 6229 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 6230 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,0]=3 6231 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,0]=3 6232 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,0]=3 6233 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 6234 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 6235 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,0]=3 6236 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,0]=3 6237 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 6238 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 6239 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,0]=3 6240 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,0]=3 6241 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 6242 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 6243 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 6244 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 6245 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 6246 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 6247 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,0]=3 6248 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 6249 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 6250 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 6251 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 6252 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,0]=3 6253 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 6254 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 6255 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 6256 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 6257 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 6258 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 6259 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 6260 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 6261 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 6262 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 6263 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 6264 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 6265 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 6266 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 6267 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 6268 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 6269 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 6270 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 6271 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 6272 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 6273 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 6274 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 6275 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 6276 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 6277 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 6278 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 6279 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 6280 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 6281 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 6282 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 6283 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 6284 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 6285 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 6286 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 6287 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 6288 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 6289 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 6290 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 6291 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 6292 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 6293 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 6294 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 6295 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 6296 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|2,0,0]=4 6297 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|2,0,0]=4 6298 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 6299 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 6300 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 6301 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 6302 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 6303 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 6304 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 6305 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 6306 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 6307 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 6308 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 6309 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 6310 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 6311 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 6312 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 6313 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 6314 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 6315 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 6316 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 6317 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 6318 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 6319 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 6320 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 6321 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 6322 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 6323 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 6324 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 6325 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 6326 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 6327 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 6328 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 6329 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 6330 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 6331 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 6332 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 6333 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 6334 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 6335 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 6336 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 6337 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 6338 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 6339 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 6340 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 6341 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 6342 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 6343 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 6344 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 6345 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 6346 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 6347 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 6348 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 6349 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 6350 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 6351 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 6352 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 6353 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 6354 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 6355 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 6356 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 6357 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 6358 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 6359 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 6360 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 6361 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 6362 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 6363 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 6364 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 6365 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 6366 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 6367 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 6368 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 6369 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 6370 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 6371 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 6372 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 6373 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 6374 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 6375 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 6376 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 6377 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 6378 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 6379 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 6380 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 6381 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 6382 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 6383 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 6384 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 6385 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 6386 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 6387 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 6388 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 6389 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 6390 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 6391 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 6392 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 6393 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|2,0,0]=4 6394 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|2,0,0]=4 6395 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|2,0,0]=4 6396 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|2,0,0]=4 6397 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|2,0,0]=4 6398 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|1,0,0]=3 6399 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,0,0]=3 6400 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,0,0]=3 6401 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [2,0,0,0,0,0|2,0,0]=4 6402 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [2,0,0,0,0,0|2,0,0]=4 6403 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [2,0,0,0,0,0|2,0,0]=4 6404 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,2]=4 6405 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,2]=4 6406 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,2]=4 6407 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 6408 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 6409 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 6410 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 6411 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 6412 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 6413 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 6414 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|2,0,0]=4 6415 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|2,0,0]=4 6416 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|2,0,0]=4 6417 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|2,0,0]=4 6418 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|2,0,0]=4 6419 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|2,0,0]=4 6420 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|2,0,0]=4 6421 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|2,0,0]=4 6422 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|2,0,0]=4 6423 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 6424 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|1,0,0]=3 6425 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,0]=3 6426 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|1,0,0]=3 6427 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|2,0,0]=4 6428 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|2,0,0]=4 6429 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|2,0,0]=4 6430 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|2,0,0]=4 6431 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,0]=3 6432 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|2,0,0]=4 6433 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|2,0,0]=4 6434 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,0]=3 6435 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|2,0,0]=4 6436 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|2,0,0]=4 6437 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,0,0]=3 6438 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,0,0]=3 6439 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,0,0]=3 6440 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,0,0]=3 6441 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|2,0,0]=4 6442 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|2,0,0]=4 6443 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|2,0,0]=4 6444 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|2,0,0]=4 6445 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 6446 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|1,0,0]=3 6447 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|1,0,0]=3 6448 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 6449 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|2,0,0]=4 6450 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|2,0,0]=4 6451 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|2,0,0]=4 6452 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|2,0,0]=4 6453 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,0]=3 6454 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 6455 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|2,0,0]=4 6456 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|2,0,0]=4 6457 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,0,0]=3 6458 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,0,0]=3 6459 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 6460 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [2,0,0,0,0,0|2,0,0]=4 6461 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [2,0,0,0,0,0|2,0,0]=4 6462 B8R0.1 CC(CCBr)OCCO 34a_100012276601_100000211926 [1,1,0,0,0,0|2,0,0]=4 6463 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [1,1,0,0,0,0|2,0,0]=4 6464 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [1,1,0,0,0,0|2,0,0]=4 6465 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [1,1,0,0,0,0|2,0,0]=4 6466 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [1,1,0,0,0,0|2,0,0]=4 6467 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [1,1,0,0,0,0|2,0,0]=4 6468 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [1,1,0,0,0,0|2,0,0]=4 6469 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [1,1,0,0,0,0|2,0,0]=4 6470 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [1,1,0,0,0,0|2,0,0]=4 6471 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [1,1,0,0,0,0|2,0,0]=4 6472 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 6473 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|0,0,1]=3 6474 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 6475 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 6476 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 6477 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 6478 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 6479 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,1]=4 6480 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,1]=4 6481 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,1]=4 6482 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,1]=4 6483 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|1,0,1]=4 6484 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|1,0,1]=4 6485 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 6486 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,0]=3 6487 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 6488 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,0]=3 6489 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,0]=3 6490 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,0]=3 6491 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 6492 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,0]=3 6493 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,0]=3 6494 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 6495 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 6496 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,0]=3 6497 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,0]=3 6498 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [1,1,0,0,0,0|2,0,0]=4 6499 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [1,1,0,0,0,0|2,0,0]=4 6500 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [1,1,0,0,0,0|2,0,0]=4 6501 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [1,1,0,0,0,0|2,0,0]=4 6502 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|1,0,0]=3 6503 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|1,0,0]=3 6504 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|1,0,0]=3 6505 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|1,0,0]=3 6506 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|2,0,0]=4 6507 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [1,1,0,0,0,0|2,0,0]=4 6508 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [1,1,0,0,0,0|2,0,0]=4 6509 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 6510 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [1,1,0,0,0,0|2,0,0]=4 6511 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [1,1,0,0,0,0|2,0,0]=4 6512 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,0]=3 6513 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,0]=3 6514 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [1,1,0,0,0,0|2,0,0]=4 6515 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [1,1,0,0,0,0|2,0,0]=4 6516 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [1,1,0,0,0,0|2,0,0]=4 6517 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|1,0,0]=3 6518 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|1,0,0]=3 6519 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|2,0,0]=4 6520 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|2,0,0]=4 6521 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [1,1,0,0,0,0|2,0,0]=4 6522 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [1,1,0,0,0,0|2,0,0]=4 6523 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,1]=3 6524 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,1]=3 6525 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|1,0,1]=4 6526 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,1]=3 6527 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,1]=3 6528 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 6529 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|1,0,1]=4 6530 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 6531 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 6532 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 6533 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 6534 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,0]=3 6535 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 6536 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,0]=3 6537 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,0]=3 6538 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,0]=3 6539 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,0]=3 6540 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 6541 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,0]=3 6542 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,0]=3 6543 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 6544 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 6545 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,0]=3 6546 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,0]=3 6547 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|2,0,0]=4 6548 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|2,0,0]=4 6549 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,1,0,0,0,0|1,0,0]=3 6550 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,1,0,0,0,0|1,0,0]=3 6551 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,1,0,0,0,0|1,0,0]=3 6552 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,1,0,0,0,0|1,0,0]=3 6553 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,1,0,0,0,0|1,0,0]=3 6554 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,1,0,0,0,0|1,0,0]=3 6555 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 6556 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [1,1,0,0,0,0|2,0,0]=4 6557 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|1,0,0]=3 6558 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|1,0,0]=3 6559 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|1,0,0]=3 6560 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|1,0,0]=3 6561 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|1,0,0]=3 6562 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|1,0,0]=3 6563 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 6564 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|2,0,0]=4 6565 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 6566 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [1,1,0,0,0,0|2,0,0]=4 6567 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,1,0,0,0,0|1,0,0]=3 6568 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,1,0,0,0,0|1,0,0]=3 6569 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|1,0,0]=3 6570 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|1,0,0]=3 6571 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,0]=3 6572 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,0]=3 6573 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 6574 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [1,1,0,0,0,0|2,0,0]=4 6575 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 6576 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,1,0,0,0,0|1,0,0]=3 6577 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 6578 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,1,0,0,0,0|1,0,0]=3 6579 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 6580 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|2,0,0]=4 6581 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6582 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|2,0,0]=4 6583 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|2,0,0]=4 6584 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6585 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 6586 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [1,1,0,0,0,0|2,0,0]=4 6587 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [1,1,0,0,0,0|2,0,0]=4 6588 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [1,1,0,0,0,0|2,0,0]=4 6589 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [1,1,0,0,0,0|2,0,0]=4 6590 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6591 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6592 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 6593 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 6594 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 6595 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 6596 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,1]=4 6597 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,1,0,0,0,0|1,0,0]=3 6598 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,1,0,0,0,0|1,0,0]=3 6599 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|2,0,0]=4 6600 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [1,1,0,0,0,0|2,0,0]=4 6601 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 6602 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,0]=3 6603 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|2,0,0]=4 6604 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [1,1,0,0,0,0|2,0,0]=4 6605 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,1,0,0,0,0|1,0,0]=3 6606 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 6607 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,1,0,0,0,0|1,0,0]=3 6608 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,0]=3 6609 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 6610 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 6611 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 6612 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 6613 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|2,0,0]=4 6614 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|2,0,0]=4 6615 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,1,0,0,0,0|1,0,0]=3 6616 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,1,0,0,0,0|1,0,0]=3 6617 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|1,0,0]=3 6618 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|1,0,0]=3 6619 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|2,0,0]=4 6620 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|2,0,0]=4 6621 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,0]=3 6622 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,0]=3 6623 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,0]=3 6624 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|2,0,0]=4 6625 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|2,0,0]=4 6626 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [1,1,0,0,0,0|2,0,0]=4 6627 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [1,1,0,0,0,0|2,0,0]=4 6628 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 6629 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|2,0,0]=4 6630 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 6631 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 6632 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,1]=4 6633 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [1,1,0,0,0,0|2,0,0]=4 6634 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 6635 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,1,0,0,0,0|2,0,0]=4 6636 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|2,0,0]=4 6637 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 6638 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,1,0,0,0,0|2,0,0]=4 6639 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 6640 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,1,0,0,0,0|2,0,0]=4 6641 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|2,0,0]=4 6642 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [1,1,0,0,0,0|2,0,0]=4 6643 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,0,1]=4 6644 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|2,0,0]=4 6645 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|2,0,0]=4 6646 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 6647 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 6648 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [1,1,0,0,0,0|2,0,0]=4 6649 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [1,1,0,0,0,0|2,0,0]=4 6650 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [1,1,0,0,0,0|2,0,0]=4 6651 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 6652 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [1,1,0,0,0,0|2,0,0]=4 6653 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [1,1,0,0,0,0|2,0,0]=4 6654 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [1,1,0,0,0,0|2,0,0]=4 6655 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [1,1,0,0,0,0|2,0,0]=4 6656 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|1,0,0]=3 6657 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,0]=3 6658 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 6659 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [1,1,0,0,0,0|2,0,0]=4 6660 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [1,1,0,0,0,0|2,0,0]=4 6661 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [1,1,0,0,0,0|2,0,0]=4 6662 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [1,1,0,0,0,0|2,0,0]=4 6663 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [1,1,0,0,0,0|2,0,0]=4 6664 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,1]=4 6665 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,1]=4 6666 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [1,1,0,0,0,0|2,0,0]=4 6667 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [1,1,0,0,0,0|2,0,0]=4 6668 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [1,1,0,0,0,0|2,0,0]=4 6669 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [1,1,0,0,0,0|2,0,0]=4 6670 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [1,1,0,0,0,0|2,0,0]=4 6671 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [1,1,0,0,0,0|2,0,0]=4 6672 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [1,1,0,0,0,0|2,0,0]=4 6673 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [1,1,0,0,0,0|2,0,0]=4 6674 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [1,1,0,0,0,0|2,0,0]=4 6675 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [1,1,0,0,0,0|2,0,0]=4 6676 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [1,1,0,0,0,0|2,0,0]=4 6677 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 6678 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,1]=4 6679 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [1,1,0,0,0,0|2,0,0]=4 6680 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,1]=4 6681 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,1]=4 6682 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [1,1,0,0,0,0|2,0,0]=4 6683 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [1,1,0,0,0,0|2,0,0]=4 6684 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [1,1,0,0,0,0|2,0,0]=4 6685 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [1,1,0,0,0,0|2,0,0]=4 6686 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 6687 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 6688 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 6689 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [1,1,0,0,0,0|2,0,0]=4 6690 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [1,1,0,0,0,0|2,0,0]=4 6691 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [1,1,0,0,0,0|2,0,0]=4 6692 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [1,1,0,0,0,0|2,0,0]=4 6693 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|1,0,0]=3 6694 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,0]=3 6695 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 6696 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|2,0,0]=4 6697 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [1,1,0,0,0,0|2,0,0]=4 6698 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|2,0,0]=4 6699 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,1]=4 6700 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 6701 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [1,1,0,0,0,0|2,0,0]=4 6702 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [1,1,0,0,0,0|2,0,0]=4 6703 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 6704 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,1,0,0,0,0|0,0,2]=4 6705 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,1,0,0,0,0|0,0,2]=4 6706 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 6707 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,1,0,0,0,0|0,0,2]=4 6708 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 6709 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 6710 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 6711 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,1,0,0,0,0|0,0,2]=4 6712 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,1,0,0,0,0|0,0,2]=4 6713 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,1,0,0,0,0|0,0,2]=4 6714 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,1,0,0,0,0|0,0,2]=4 6715 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 6716 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,1,0,0,0,0|0,0,2]=4 6717 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,1,0,0,0,0|0,0,2]=4 6718 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 6719 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,1,0,0,0,0|0,0,2]=4 6720 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,1,0,0,0,0|0,0,2]=4 6721 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,1,0,0,0,0|0,0,2]=4 6722 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,1,0,0,0,0|0,0,2]=4 6723 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,1,0,0,0,0|0,0,2]=4 6724 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [1,1,0,0,0,0|0,0,2]=4 6725 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [1,1,0,0,0,0|0,0,2]=4 6726 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [1,1,0,0,0,0|0,0,2]=4 6727 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,1,0,0,0,0|0,0,2]=4 6728 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 6729 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,1,0,0,0,0|0,0,2]=4 6730 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,1,0,0,0,0|0,0,2]=4 6731 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,1,0,0,0,0|0,0,2]=4 6732 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,1,0,0,0,0|0,0,2]=4 6733 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,1,0,0,0,0|0,0,2]=4 6734 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [1,1,0,0,0,0|0,0,2]=4 6735 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [1,1,0,0,0,0|0,0,2]=4 6736 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,1,0,0,0,0|0,0,2]=4 6737 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,1,0,0,0,0|0,0,2]=4 6738 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,1,0,0,0,0|0,0,2]=4 6739 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [1,1,0,0,0,0|0,0,2]=4 6740 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 6741 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,1,0,0,0,0|0,0,2]=4 6742 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,1,0,0,0,0|0,0,2]=4 6743 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [1,1,0,0,0,0|0,0,2]=4 6744 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,1,0,0,0,0|0,0,2]=4 6745 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,1,0,0,0,0|0,0,2]=4 6746 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [1,1,0,0,0,0|0,0,2]=4 6747 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [1,1,0,0,0,0|0,0,2]=4 6748 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,1,0,0,0,0|0,0,2]=4 6749 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,1,0,0,0,0|0,0,2]=4 6750 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [1,1,0,0,0,0|0,0,2]=4 6751 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [1,1,0,0,0,0|0,0,2]=4 6752 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [1,1,0,0,0,0|0,0,2]=4 6753 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,1,0,0,0,0|0,0,2]=4 6754 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,1,0,0,0,0|0,0,2]=4 6755 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,1,0,0,0,0|0,0,2]=4 6756 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [1,1,0,0,0,0|0,0,2]=4 6757 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,1,0,0,0,0|0,0,2]=4 6758 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [1,1,0,0,0,0|0,0,2]=4 6759 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|0,0,2]=4 6760 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|0,0,2]=4 6761 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|0,0,2]=4 6762 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|0,0,2]=4 6763 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|0,0,2]=4 6764 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|0,0,2]=4 6765 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|0,0,2]=4 6766 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|0,0,2]=4 6767 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|0,0,2]=4 6768 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|0,0,2]=4 6769 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|0,0,2]=4 6770 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|0,0,2]=4 6771 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|0,0,2]=4 6772 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|0,0,2]=4 6773 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|0,0,2]=4 6774 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|0,0,2]=4 6775 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|0,0,2]=4 6776 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|0,0,2]=4 6777 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|0,0,2]=4 6778 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|0,0,2]=4 6779 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|0,0,2]=4 6780 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|0,0,2]=4 6781 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|0,0,2]=4 6782 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|0,0,2]=4 6783 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|0,0,2]=4 6784 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|0,0,2]=4 6785 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,2]=4 6786 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,2]=4 6787 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,2]=4 6788 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,0,2]=4 6789 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,0,2]=4 6790 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|0,0,2]=4 6791 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|0,0,2]=4 6792 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|0,0,2]=4 6793 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|0,0,2]=4 6794 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|0,0,2]=4 6795 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|0,0,2]=4 6796 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,2]=4 6797 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,2]=4 6798 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,2]=4 6799 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|0,0,2]=4 6800 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|0,0,2]=4 6801 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,0,2]=4 6802 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,0,2]=4 6803 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|0,0,2]=4 6804 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|0,0,2]=4 6805 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|0,0,2]=4 6806 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|0,0,2]=4 6807 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|0,0,2]=4 6808 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|0,0,2]=4 6809 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|0,0,2]=4 6810 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|0,0,2]=4 6811 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|0,0,2]=4 6812 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|0,0,2]=4 6813 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|0,0,2]=4 6814 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|0,0,2]=4 6815 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|0,0,2]=4 6816 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|0,0,2]=4 6817 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|0,0,2]=4 6818 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|0,0,2]=4 6819 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,1,0,0,0,0|0,0,2]=4 6820 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,1,0,0,0,0|0,0,2]=4 6821 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,1,0,0,0,0|0,0,2]=4 6822 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|0,0,2]=4 6823 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|0,0,2]=4 6824 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|0,0,2]=4 6825 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,1,0,0,0,0|0,0,2]=4 6826 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|0,0,2]=4 6827 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|0,0,2]=4 6828 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,1,0,0,0,0|0,0,2]=4 6829 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,1,0,0,0,0|0,0,2]=4 6830 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,1,0,0,0,0|0,0,2]=4 6831 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,1,0,0,0,0|0,0,2]=4 6832 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,1,0,0,0,0|0,0,2]=4 6833 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,1,0,0,0,0|0,0,2]=4 6834 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,1,0,0,0,0|0,0,2]=4 6835 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,1,0,0,0,0|0,0,2]=4 6836 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [1,1,0,0,0,0|0,0,2]=4 6837 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [1,1,0,0,0,0|0,0,2]=4 6838 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 6839 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,1,0,0,0,0|0,0,2]=4 6840 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,1,0,0,0,0|0,0,2]=4 6841 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [1,1,0,0,0,0|0,0,2]=4 6842 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,1,0,0,0,0|0,0,2]=4 6843 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,1,0,0,0,0|0,0,2]=4 6844 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [1,1,0,0,0,0|0,0,2]=4 6845 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [1,1,0,0,0,0|0,0,2]=4 6846 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|0,0,2]=4 6847 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|0,0,2]=4 6848 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|0,0,2]=4 6849 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|0,0,2]=4 6850 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|0,0,2]=4 6851 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|0,0,2]=4 6852 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|0,0,2]=4 6853 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|0,0,2]=4 6854 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|0,0,2]=4 6855 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|0,0,2]=4 6856 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,1,0,0,0,0|0,0,2]=4 6857 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,1,0,0,0,0|0,0,2]=4 6858 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|0,0,2]=4 6859 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|0,0,2]=4 6860 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,1,0,0,0,0|0,0,2]=4 6861 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|0,0,2]=4 6862 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|0,0,2]=4 6863 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,1,0,0,0,0|0,0,2]=4 6864 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,1,0,0,0,0|0,0,2]=4 6865 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,2]=4 6866 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|0,0,2]=4 6867 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|0,0,2]=4 6868 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|0,0,2]=4 6869 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|0,0,2]=4 6870 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|0,0,2]=4 6871 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|0,0,2]=4 6872 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|0,0,2]=4 6873 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|0,0,2]=4 6874 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|1,0,1]=4 6875 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,1,0,0,0,0|0,0,2]=4 6876 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,1,0,0,0,0|0,0,2]=4 6877 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,1,0,0,0,0|0,0,2]=4 6878 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,1,0,0,0,0|0,0,2]=4 6879 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,1,0,0,0,0|0,0,2]=4 6880 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,1,0,0,0,0|0,0,2]=4 6881 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,1,0,0,0,0|0,0,2]=4 6882 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,1,0,0,0,0|0,0,2]=4 6883 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,1,0,0,0,0|0,0,2]=4 6884 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,1,0,0,0,0|0,0,2]=4 6885 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,1,0,0,0,0|0,0,2]=4 6886 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,1,0,0,0,0|0,0,2]=4 6887 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,1,0,0,0,0|0,0,2]=4 6888 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|1,0,1]=4 6889 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,1,0,0,0,0|0,0,2]=4 6890 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,1,0,0,0,0|0,0,2]=4 6891 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,1,0,0,0,0|0,0,2]=4 6892 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,1,0,0,0,0|0,0,2]=4 6893 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,1,0,0,0,0|0,0,2]=4 6894 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,1,0,0,0,0|0,0,2]=4 6895 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,2]=4 6896 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,2]=4 6897 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,2]=4 6898 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,2]=4 6899 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,1,0,0,0,0|1,0,1]=4 6900 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,1,0,0,0,0|1,0,1]=4 6901 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 6902 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 6903 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 6904 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 6905 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,1,0,0,0,0|1,0,1]=4 6906 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|0,0,0]=2 6907 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|0,0,0]=2 6908 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|0,0,0]=2 6909 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|0,0,0]=2 6910 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|0,0,0]=2 6911 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,0]=2 6912 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,0]=2 6913 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,0]=2 6914 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,0]=2 6915 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,0]=2 6916 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,0,0]=2 6917 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,0,0]=2 6918 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,0,0]=2 6919 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,0,0]=2 6920 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|0,0,0]=2 6921 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|0,0,0]=2 6922 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|0,0,0]=2 6923 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|0,0,0]=2 6924 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|0,0,0]=2 6925 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,0]=3 6926 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,0]=3 6927 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|0,0,0]=2 6928 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|0,0,0]=2 6929 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,0]=3 6930 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,0]=3 6931 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,1,0,0,0,0|1,0,1]=4 6932 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|0,0,2]=4 6933 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|0,0,0]=2 6934 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|1,0,0]=3 6935 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|1,0,0]=3 6936 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|0,0,0]=2 6937 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|0,0,0]=2 6938 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|0,0,0]=2 6939 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,0]=3 6940 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|1,0,0]=3 6941 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,1,0,0,0,0|1,0,1]=4 6942 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|0,0,2]=4 6943 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|0,0,2]=4 6944 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,0]=3 6945 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|0,0,0]=2 6946 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|0,0,0]=2 6947 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|0,0,0]=2 6948 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,0]=3 6949 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,0]=3 6950 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,0]=3 6951 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|0,0,0]=2 6952 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|0,0,0]=2 6953 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|1,0,0]=3 6954 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,1,0,0,0,0|1,0,1]=4 6955 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,1,0,0,0,0|1,0,1]=4 6956 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|0,0,2]=4 6957 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|0,0,2]=4 6958 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|0,0,0]=2 6959 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|0,0,0]=2 6960 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|1,0,0]=3 6961 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|1,0,0]=3 6962 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|0,0,0]=2 6963 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|0,0,0]=2 6964 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,0]=3 6965 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,0]=3 6966 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|1,0,0]=3 6967 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|1,0,0]=3 6968 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,1,0,0,0,0|1,0,1]=4 6969 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,1,0,0,0,0|1,0,1]=4 6970 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|0,0,0]=2 6971 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|0,0,0]=2 6972 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,0]=3 6973 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,0]=3 6974 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,0]=3 6975 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,0]=3 6976 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|0,0,0]=2 6977 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|0,0,0]=2 6978 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,0]=3 6979 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,0]=3 6980 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,0]=3 6981 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|1,0,0]=3 6982 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|1,0,0]=3 6983 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|1,0,0]=3 6984 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,1,0,0,0,0|1,0,1]=4 6985 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|1,0,0]=3 6986 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|0,0,0]=2 6987 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|0,0,0]=2 6988 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|1,0,0]=3 6989 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|1,0,0]=3 6990 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|1,0,0]=3 6991 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|1,0,0]=3 6992 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,0]=3 6993 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|0,0,0]=2 6994 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|0,0,0]=2 6995 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|1,0,0]=3 6996 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|1,0,0]=3 6997 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|1,0,0]=3 6998 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,0]=3 6999 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,0]=3 7000 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,0]=3 7001 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,0]=3 7002 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,0]=3 7003 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,0]=3 7004 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|1,0,0]=3 7005 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,0]=3 7006 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,0]=3 7007 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|1,0,0]=3 7008 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|1,0,0]=3 7009 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|1,0,0]=3 7010 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|1,0,0]=3 7011 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|1,0,0]=3 7012 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|1,0,0]=3 7013 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|1,0,0]=3 7014 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|1,0,0]=3 7015 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,1,0,0,0,0|1,0,0]=3 7016 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,0]=3 7017 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,1,0,0,0,0|1,0,0]=3 7018 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,1,0,0,0,0|1,0,0]=3 7019 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,1,0,0,0,0|2,0,0]=4 7020 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,1,0,0,0,0|2,0,0]=4 7021 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,1,0,0,0,0|1,0,1]=4 7022 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,1,0,0,0,0|1,0,1]=4 7023 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|0,0,0]=2 7024 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|1,0,0]=3 7025 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|1,0,0]=3 7026 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|0,0,0]=2 7027 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|0,0,0]=2 7028 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|1,0,0]=3 7029 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|1,0,0]=3 7030 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,0]=3 7031 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,0]=3 7032 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,0]=3 7033 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,0]=3 7034 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,0]=3 7035 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,0]=3 7036 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|1,0,0]=3 7037 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|1,0,0]=3 7038 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,0]=3 7039 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,0]=3 7040 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|0,0,0]=2 7041 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|0,0,0]=2 7042 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,0]=3 7043 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|1,0,0]=3 7044 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,0]=3 7045 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,0]=3 7046 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|1,0,0]=3 7047 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,1,0,0,0,0|0,0,2]=4 7048 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|1,0,0]=3 7049 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|1,0,0]=3 7050 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|1,0,0]=3 7051 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|1,0,0]=3 7052 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|1,0,0]=3 7053 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|1,0,0]=3 7054 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|1,0,0]=3 7055 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,0]=3 7056 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|0,0,0]=2 7057 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,0]=3 7058 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,0]=3 7059 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,0]=3 7060 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,0]=3 7061 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,0]=3 7062 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,0]=3 7063 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,0]=3 7064 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|1,0,0]=3 7065 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|1,0,0]=3 7066 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,1,0,0,0,0|1,0,0]=3 7067 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,1,0,0,0,0|1,0,0]=3 7068 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,1,0,0,0,0|1,0,0]=3 7069 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,1,0,0,0,0|2,0,0]=4 7070 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,0]=3 7071 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,0]=3 7072 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,0]=3 7073 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,0]=3 7074 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,0]=3 7075 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,0]=3 7076 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 7077 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,1,0,0,0,0|2,0,0]=4 7078 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|1,0,0]=3 7079 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|1,0,0]=3 7080 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|1,0,0]=3 7081 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|1,0,0]=3 7082 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|1,0,0]=3 7083 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,1,0,0,0,0|2,0,0]=4 7084 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,1,0,0,0,0|2,0,0]=4 7085 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [1,1,0,0,0,0|0,0,2]=4 7086 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [1,1,0,0,0,0|0,0,2]=4 7087 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,1,0,0,0,0|1,0,1]=4 7088 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,1,0,0,0,0|1,0,1]=4 7089 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|0,0,2]=4 7090 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|0,0,2]=4 7091 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|1,0,0]=3 7092 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|1,0,0]=3 7093 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|0,0,0]=2 7094 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|0,0,0]=2 7095 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,0]=3 7096 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,0]=3 7097 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,1,0,0,0,0|1,0,0]=3 7098 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,0]=3 7099 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,0]=3 7100 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,0]=3 7101 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,0]=3 7102 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 7103 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,1,0,0,0,0|2,0,0]=4 7104 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|1,0,0]=3 7105 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|1,0,0]=3 7106 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,1,0,0,0,0|1,0,1]=4 7107 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|0,0,2]=4 7108 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|1,0,0]=3 7109 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|0,0,0]=2 7110 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|0,0,0]=2 7111 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|0,0,0]=2 7112 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,0]=3 7113 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,0]=3 7114 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,0]=3 7115 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,0]=3 7116 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,1,0,0,0,0|1,0,0]=3 7117 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,1,0,0,0,0|1,0,0]=3 7118 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,1,0,0,0,0|1,0,0]=3 7119 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,1,0,0,0,0|1,0,0]=3 7120 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,1,0,0,0,0|2,0,0]=4 7121 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,0]=3 7122 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,0]=3 7123 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 7124 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,0]=3 7125 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,0]=3 7126 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,0]=3 7127 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,0]=3 7128 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,0]=3 7129 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|0,0,0]=2 7130 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|1,0,0]=3 7131 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|1,0,0]=3 7132 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 7133 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|1,0,0]=3 7134 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,1,0,0,0,0|2,0,0]=4 7135 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|1,0,0]=3 7136 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|1,0,0]=3 7137 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|1,0,0]=3 7138 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 7139 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|2,0,0]=4 7140 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|1,0,0]=3 7141 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|1,0,0]=3 7142 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|1,0,0]=3 7143 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|1,0,0]=3 7144 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,1,0,0,0,0|2,0,0]=4 7145 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,1,0,0,0,0|2,0,0]=4 7146 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,1,0,0,0,0|2,0,0]=4 7147 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,1,0,0,0,0|2,0,0]=4 7148 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,1,0,0,0,0|2,0,0]=4 7149 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,1,0,0,0,0|1,0,0]=3 7150 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,1,0,0,0,0|1,0,0]=3 7151 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,1,0,0,0,0|1,0,0]=3 7152 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,1,0,0,0,0|1,0,0]=3 7153 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|2,0,0]=4 7154 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 7155 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,1,0,0,0,0|2,0,0]=4 7156 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,1,0,0,0,0|2,0,0]=4 7157 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,1,0,0,0,0|2,0,0]=4 7158 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,1,0,0,0,0|2,0,0]=4 7159 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 7160 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,1,0,0,0,0|2,0,0]=4 7161 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,1,0,0,0,0|2,0,0]=4 7162 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,1,0,0,0,0|2,0,0]=4 7163 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,1,0,0,0,0|2,0,0]=4 7164 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,1,0,0,0,0|2,0,0]=4 7165 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,1,0,0,0,0|2,0,0]=4 7166 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,1,0,0,0,0|2,0,0]=4 7167 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,1,0,0,0,0|2,0,0]=4 7168 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,1,0,0,0,0|2,0,0]=4 7169 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,1,0,0,0,0|1,0,0]=3 7170 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,1,0,0,0,0|1,0,0]=3 7171 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,1,0,0,0,0|1,0,0]=3 7172 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,1,0,0,0,0|2,0,0]=4 7173 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,1,0,0,0,0|2,0,0]=4 7174 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,1,0,0,0,0|2,0,0]=4 7175 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,1,0,0,0,0|1,0,0]=3 7176 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,1,0,0,0,0|1,0,0]=3 7177 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|2,0,0]=4 7178 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|2,0,0]=4 7179 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,1,0,0,0,0|2,0,0]=4 7180 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,1,0,0,0,0|2,0,0]=4 7181 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,1,0,0,0,0|2,0,0]=4 7182 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,1,0,0,0,0|2,0,0]=4 7183 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,1,0,0,0,0|1,0,0]=3 7184 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,1,0,0,0,0|1,0,0]=3 7185 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|2,0,0]=4 7186 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|2,0,0]=4 7187 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,1,0,0,0,0|2,0,0]=4 7188 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,1,0,0,0,0|2,0,0]=4 7189 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,1,0,0,0,0|2,0,0]=4 7190 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,1,0,0,0,0|1,0,1]=4 7191 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,1,0,0,0,0|1,0,1]=4 7192 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|0,0,2]=4 7193 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|0,0,2]=4 7194 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|1,0,0]=3 7195 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|1,0,0]=3 7196 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|0,0,0]=2 7197 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|0,0,0]=2 7198 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|1,0,0]=3 7199 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|1,0,0]=3 7200 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 7201 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|2,0,0]=4 7202 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,1,0,0,0,0|2,0,0]=4 7203 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,1,0,0,0,0|2,0,0]=4 7204 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,1,0,0,0,0|1,0,0]=3 7205 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,1,0,0,0,0|1,0,0]=3 7206 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,1,0,0,0,0|1,0,0]=3 7207 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,1,0,0,0,0|2,0,0]=4 7208 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,1,0,0,0,0|2,0,0]=4 7209 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,1,0,0,0,0|2,0,0]=4 7210 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,1,0,0,0,0|2,0,0]=4 7211 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,1,0,0,0,0|2,0,0]=4 7212 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,1,0,0,0,0|2,0,0]=4 7213 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,1,0,0,0,0|1,0,0]=3 7214 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,1,0,0,0,0|1,0,0]=3 7215 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,1,0,0,0,0|1,0,0]=3 7216 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,1,0,0,0,0|1,0,0]=3 7217 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,1,0,0,0,0|2,0,0]=4 7218 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,1,0,0,0,0|2,0,0]=4 7219 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,1,0,0,0,0|2,0,0]=4 7220 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,1,0,0,0,0|1,0,0]=3 7221 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,1,0,0,0,0|1,0,0]=3 7222 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,1,0,0,0,0|2,0,0]=4 7223 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,1,0,0,0,0|2,0,0]=4 7224 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,1,0,0,0,0|2,0,0]=4 7225 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,1,0,0,0,0|2,0,0]=4 7226 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|2,0,0]=4 7227 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|2,0,0]=4 7228 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 7229 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 7230 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|0,0,2]=4 7231 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|0,0,2]=4 7232 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,0]=3 7233 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,0]=3 7234 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,0]=3 7235 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|0,0,0]=2 7236 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|0,0,0]=2 7237 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|0,0,0]=2 7238 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|0,0,0]=2 7239 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|0,0,0]=2 7240 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,0]=3 7241 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,0]=3 7242 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,0]=3 7243 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,0]=3 7244 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,1,0,0,0,0|2,0,0]=4 7245 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|1,0,0]=3 7246 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,1,0,0,0,0|2,0,0]=4 7247 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,1,0,0,0,0|2,0,0]=4 7248 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,1,0,0,0,0|2,0,0]=4 7249 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,1,0,0,0,0|2,0,0]=4 7250 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,1,0,0,0,0|2,0,0]=4 7251 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,1,0,0,0,0|2,0,0]=4 7252 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,1,0,0,0,0|2,0,0]=4 7253 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,1,0,0,0,0|2,0,0]=4 7254 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7255 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7256 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 7257 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,0]=3 7258 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,0]=3 7259 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,0]=3 7260 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,0]=3 7261 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,0]=3 7262 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|0,0,0]=2 7263 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,0]=3 7264 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,0]=3 7265 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,1,0,0,0,0|2,0,0]=4 7266 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|2,0,0]=4 7267 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|2,0,0]=4 7268 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,1,0,0,0,0|2,0,0]=4 7269 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,1,0,0,0,0|2,0,0]=4 7270 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,1,0,0,0,0|1,0,0]=3 7271 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,1,0,0,0,0|1,0,0]=3 7272 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,1,0,0,0,0|1,0,0]=3 7273 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|2,0,0]=4 7274 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|2,0,0]=4 7275 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|2,0,0]=4 7276 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|2,0,0]=4 7277 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|1,0,0]=3 7278 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|2,0,0]=4 7279 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,1,0,0,0,0|2,0,0]=4 7280 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,1,0,0,0,0|2,0,0]=4 7281 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,1,0,0,0,0|1,0,0]=3 7282 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,1,0,0,0,0|1,0,0]=3 7283 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,1,0,0,0,0|2,0,0]=4 7284 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,1,0,0,0,0|2,0,0]=4 7285 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|2,0,0]=4 7286 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|2,0,0]=4 7287 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,1,0,0,0,0|2,0,0]=4 7288 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,1,0,0,0,0|2,0,0]=4 7289 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,1,0,0,0,0|2,0,0]=4 7290 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,1,0,0,0,0|1,0,0]=3 7291 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,1,0,0,0,0|2,0,0]=4 7292 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|2,0,0]=4 7293 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|2,0,0]=4 7294 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,1,0,0,0,0|2,0,0]=4 7295 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,1,0,0,0,0|2,0,0]=4 7296 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,1,0,0,0,0|2,0,0]=4 7297 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,1,0,0,0,0|2,0,0]=4 7298 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,1,0,0,0,0|2,0,0]=4 7299 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,1,0,0,0,0|1,0,0]=3 7300 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,1,0,0,0,0|2,0,0]=4 7301 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,1,0,0,0,0|2,0,0]=4 7302 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,1,0,0,0,0|2,0,0]=4 7303 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,1,0,0,0,0|2,0,0]=4 7304 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,1,0,0,0,0|2,0,0]=4 7305 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,1,0,0,0,0|2,0,0]=4 7306 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [1,1,0,0,0,0|2,0,0]=4 7307 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,1,0,0,0,0|2,0,0]=4 7308 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,1,0,0,0,0|2,0,0]=4 7309 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|2,0,0]=4 7310 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|2,0,0]=4 7311 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|2,0,0]=4 7312 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|2,0,0]=4 7313 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|2,0,0]=4 7314 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|2,0,0]=4 7315 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|2,0,0]=4 7316 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,1,0,0,0,0|2,0,0]=4 7317 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,1,0,0,0,0|2,0,0]=4 7318 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,1,0,0,0,0|1,0,0]=3 7319 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,1,0,0,0,0|1,0,0]=3 7320 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,1,0,0,0,0|2,0,0]=4 7321 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|2,0,0]=4 7322 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|2,0,0]=4 7323 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,1,0,0,0,0|1,0,0]=3 7324 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|2,0,0]=4 7325 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,1,0,0,0,0|2,0,0]=4 7326 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,1,0,0,0,0|2,0,0]=4 7327 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,1,0,0,0,0|1,0,0]=3 7328 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,1,0,0,0,0|1,0,0]=3 7329 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,1,0,0,0,0|1,0,1]=4 7330 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,1,0,0,0,0|1,0,1]=4 7331 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|0,0,2]=4 7332 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|0,0,2]=4 7333 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,0]=3 7334 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,0]=3 7335 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|0,0,0]=2 7336 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|0,0,0]=2 7337 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 7338 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|2,0,0]=4 7339 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,1,0,0,0,0|2,0,0]=4 7340 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|1,0,0]=3 7341 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,1,0,0,0,0|2,0,0]=4 7342 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 7343 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,1,0,0,0,0|2,0,0]=4 7344 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|1,0,0]=3 7345 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|1,0,0]=3 7346 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,1,0,0,0,0|2,0,0]=4 7347 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,1,0,0,0,0|2,0,0]=4 7348 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,1,0,0,0,0|2,0,0]=4 7349 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,1,0,0,0,0|2,0,0]=4 7350 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,1,0,0,0,0|1,0,0]=3 7351 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,1,0,0,0,0|2,0,0]=4 7352 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,1,0,0,0,0|2,0,0]=4 7353 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,1,0,0,0,0|2,0,0]=4 7354 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 7355 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,1,0,0,0,0|2,0,0]=4 7356 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,1,0,0,0,0|2,0,0]=4 7357 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,1,0,0,0,0|2,0,0]=4 7358 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,1,0,0,0,0|1,0,0]=3 7359 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,1,0,0,0,0|1,0,0]=3 7360 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [1,1,0,0,0,0|2,0,0]=4 7361 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 7362 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,1,0,0,0,0|2,0,0]=4 7363 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,1,0,0,0,0|2,0,0]=4 7364 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,1,0,0,0,0|2,0,0]=4 7365 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,1,0,0,0,0|1,0,0]=3 7366 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,1,0,0,0,0|1,0,0]=3 7367 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,1,0,0,0,0|2,0,0]=4 7368 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,1,0,0,0,0|1,0,0]=3 7369 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,1,0,0,0,0|1,0,0]=3 7370 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,1,0,0,0,0|2,0,0]=4 7371 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,1,0,0,0,0|2,0,0]=4 7372 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,1,0,0,0,0|2,0,0]=4 7373 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,1,0,0,0,0|2,0,0]=4 7374 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,1,0,0,0,0|2,0,0]=4 7375 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,1,0,0,0,0|2,0,0]=4 7376 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,1,0,0,0,0|2,0,0]=4 7377 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,1,0,0,0,0|1,0,0]=3 7378 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,1,0,0,0,0|1,0,0]=3 7379 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,1,0,0,0,0|2,0,0]=4 7380 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,1,0,0,0,0|2,0,0]=4 7381 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,1,0,0,0,0|2,0,0]=4 7382 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,1,0,0,0,0|2,0,0]=4 7383 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,1,0,0,0,0|2,0,0]=4 7384 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,1,0,0,0,0|2,0,0]=4 7385 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,1,0,0,0,0|2,0,0]=4 7386 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,1,0,0,0,0|2,0,0]=4 7387 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,1,0,0,0,0|2,0,0]=4 7388 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,1,0,0,0,0|2,0,0]=4 7389 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,1,0,0,0,0|2,0,0]=4 7390 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,1,0,0,0,0|2,0,0]=4 7391 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,1,0,0,0,0|2,0,0]=4 7392 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,1,0,0,0,0|2,0,0]=4 7393 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,1,0,0,0,0|2,0,0]=4 7394 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 7395 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,1,0,0,0,0|2,0,0]=4 7396 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,1,0,0,0,0|2,0,0]=4 7397 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 7398 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,1,0,0,0,0|2,0,0]=4 7399 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 7400 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,1,0,0,0,0|2,0,0]=4 7401 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 7402 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,1,0,0,0,0|2,0,0]=4 7403 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [1,1,0,0,0,0|1,0,1]=4 7404 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [1,1,0,0,0,0|1,0,1]=4 7405 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [1,1,0,0,0,0|1,0,1]=4 7406 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [1,1,0,0,0,0|1,0,1]=4 7407 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [1,1,0,0,0,0|1,0,1]=4 7408 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [1,1,0,0,0,0|1,0,1]=4 7409 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [1,1,0,0,0,0|1,0,1]=4 7410 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [1,1,0,0,0,0|1,0,1]=4 7411 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,1,0,0,0,0|2,0,0]=4 7412 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|2,0,0]=4 7413 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|1,0,0]=3 7414 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,1,0,0,0,0|2,0,0]=4 7415 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,1,0,0,0,0|1,0,0]=3 7416 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,1,0,0,0,0|2,0,0]=4 7417 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,1,0,0,0,0|1,0,0]=3 7418 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [1,1,0,0,0,0|2,0,0]=4 7419 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [1,1,0,0,0,0|2,0,0]=4 7420 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,1,0,0,0,0|1,0,1]=4 7421 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,1,0,0,0,0|1,0,1]=4 7422 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,1,0,0,0,0|1,0,1]=4 7423 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,1,0,0,0,0|1,0,1]=4 7424 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,1]=4 7425 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,1,0,0,0,0|1,0,1]=4 7426 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,1,0,0,0,0|1,0,1]=4 7427 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,1,0,0,0,0|1,0,0]=3 7428 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,1,0,0,0,0|1,0,0]=3 7429 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,1,0,0,0,0|1,0,0]=3 7430 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,1,0,0,0,0|1,0,0]=3 7431 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,1,0,0,0,0|1,0,0]=3 7432 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|1,0,0]=3 7433 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,1,0,0,0,0|1,0,0]=3 7434 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,1,0,0,0,0|1,0,0]=3 7435 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|1,0,0]=3 7436 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,1,0,0,0,0|1,0,0]=3 7437 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,1,0,0,0,0|1,0,0]=3 7438 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,1,0,0,0,0|1,0,0]=3 7439 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,1,0,0,0,0|1,0,0]=3 7440 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,1,0,0,0,0|1,0,0]=3 7441 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,1,0,0,0,0|1,0,0]=3 7442 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,1,0,0,0,0|1,0,0]=3 7443 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,1,0,0,0,0|1,0,0]=3 7444 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,1,0,0,0,0|1,0,0]=3 7445 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,1,0,0,0,0|1,0,0]=3 7446 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,1,0,0,0,0|1,0,0]=3 7447 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,1,0,0,0,0|1,0,0]=3 7448 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,1,0,0,0,0|1,0,0]=3 7449 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,1,0,0,0,0|1,0,0]=3 7450 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,1,0,0,0,0|1,0,0]=3 7451 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,1,0,0,0,0|1,0,0]=3 7452 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,1,0,0,0,0|1,0,0]=3 7453 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,1,0,0,0,0|1,0,0]=3 7454 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,1,0,0,0,0|1,0,0]=3 7455 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,1,0,0,0,0|1,0,0]=3 7456 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,1,0,0,0,0|1,0,0]=3 7457 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,1,0,0,0,0|1,0,0]=3 7458 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,1,0,0,0,0|2,0,0]=4 7459 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,1,0,0,0,0|2,0,0]=4 7460 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,1,0,0,0,0|2,0,0]=4 7461 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,1,0,0,0,0|1,0,0]=3 7462 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,1,0,0,0,0|1,0,0]=3 7463 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|0,0,0]=2 7464 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|0,0,0]=2 7465 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7466 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7467 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 7468 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,0]=3 7469 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,0]=3 7470 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,0]=3 7471 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,0]=3 7472 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,1,0,0,0,0|1,0,1]=4 7473 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,1,0,0,0,0|1,0,1]=4 7474 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|0,0,2]=4 7475 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|0,0,2]=4 7476 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,0]=3 7477 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,0]=3 7478 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|0,0,0]=2 7479 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|0,0,0]=2 7480 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [1,1,0,0,0,0|2,0,0]=4 7481 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [1,1,0,0,0,0|2,0,0]=4 7482 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|2,0,0]=4 7483 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|2,0,0]=4 7484 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [1,1,0,0,0,0|2,0,0]=4 7485 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,1,0,0,0,0|2,0,0]=4 7486 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|2,0,0]=4 7487 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [1,1,0,0,0,0|2,0,0]=4 7488 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [1,1,0,0,0,0|2,0,0]=4 7489 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,1,0,0,0,0|2,0,0]=4 7490 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,1,0,0,0,0|2,0,0]=4 7491 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,1,0,0,0,0|2,0,0]=4 7492 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,1,0,0,0,0|2,0,0]=4 7493 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [1,1,0,0,0,0|2,0,0]=4 7494 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,1,0,0,0,0|2,0,0]=4 7495 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|1,0,1]=4 7496 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,1]=3 7497 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,1]=3 7498 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 7499 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 7500 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 7501 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,1]=4 7502 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,1]=4 7503 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,1]=4 7504 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,1]=4 7505 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 7506 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 7507 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,0]=3 7508 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,0]=3 7509 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|2,0,0]=4 7510 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [1,1,0,0,0,0|2,0,0]=4 7511 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [1,1,0,0,0,0|2,0,0]=4 7512 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,0]=3 7513 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,0]=3 7514 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,0]=3 7515 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,0]=3 7516 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [1,1,0,0,0,0|2,0,0]=4 7517 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [1,1,0,0,0,0|2,0,0]=4 7518 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [1,1,0,0,0,0|2,0,0]=4 7519 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,1,0,0,0,0|2,0,0]=4 7520 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [1,1,0,0,0,0|2,0,0]=4 7521 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [1,1,0,0,0,0|2,0,0]=4 7522 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,0]=3 7523 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,0]=3 7524 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [1,1,0,0,0,0|2,0,0]=4 7525 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [1,1,0,0,0,0|2,0,0]=4 7526 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [1,1,0,0,0,0|2,0,0]=4 7527 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [1,1,0,0,0,0|2,0,0]=4 7528 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [1,1,0,0,0,0|2,0,0]=4 7529 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [1,1,0,0,0,0|2,0,0]=4 7530 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [1,1,0,0,0,0|2,0,0]=4 7531 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,0]=3 7532 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [1,1,0,0,0,0|2,0,0]=4 7533 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [1,1,0,0,0,0|2,0,0]=4 7534 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [1,1,0,0,0,0|2,0,0]=4 7535 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [1,1,0,0,0,0|2,0,0]=4 7536 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [1,1,0,0,0,0|2,0,0]=4 7537 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [1,1,0,0,0,0|2,0,0]=4 7538 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [1,1,0,0,0,0|2,0,0]=4 7539 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [1,1,0,0,0,0|2,0,0]=4 7540 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [1,1,0,0,0,0|2,0,0]=4 7541 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,0]=3 7542 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [1,1,0,0,0,0|2,0,0]=4 7543 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [1,1,0,0,0,0|2,0,0]=4 7544 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [1,1,0,0,0,0|2,0,0]=4 7545 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [1,1,0,0,0,0|2,0,0]=4 7546 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [1,1,0,0,0,0|2,0,0]=4 7547 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [1,1,0,0,0,0|2,0,0]=4 7548 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [1,1,0,0,0,0|2,0,0]=4 7549 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,0]=3 7550 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,0]=3 7551 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [1,1,0,0,0,0|2,0,0]=4 7552 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [1,1,0,0,0,0|2,0,0]=4 7553 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [1,1,0,0,0,0|2,0,0]=4 7554 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [1,1,0,0,0,0|2,0,0]=4 7555 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [1,1,0,0,0,0|2,0,0]=4 7556 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [1,1,0,0,0,0|2,0,0]=4 7557 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|1,0,0]=3 7558 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|1,0,0]=3 7559 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|1,0,0]=3 7560 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,1,0,0,0,0|2,0,0]=4 7561 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [1,1,0,0,0,0|2,0,0]=4 7562 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,1,0,0,0,0|2,0,0]=4 7563 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,1,0,0,0,0|2,0,0]=4 7564 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [1,1,0,0,0,0|2,0,0]=4 7565 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [1,1,0,0,0,0|2,0,0]=4 7566 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,0,0]=3 7567 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,0,0]=3 7568 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [1,1,0,0,0,0|2,0,0]=4 7569 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [1,1,0,0,0,0|2,0,0]=4 7570 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [1,1,0,0,0,0|2,0,0]=4 7571 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [1,1,0,0,0,0|2,0,0]=4 7572 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,1]=3 7573 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,1]=3 7574 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 7575 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,1]=3 7576 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 7577 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7578 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7579 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 7580 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,0]=3 7581 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,0]=3 7582 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,0]=3 7583 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,0]=3 7584 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,0]=3 7585 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,0]=3 7586 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 7587 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,0]=3 7588 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,0]=3 7589 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 7590 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,0]=3 7591 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,0]=3 7592 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,0]=3 7593 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,0]=3 7594 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,0]=3 7595 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|1,0,0]=3 7596 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|1,0,0]=3 7597 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|1,0,0]=3 7598 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|1,0,0]=3 7599 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,1,0,0,0,0|2,0,0]=4 7600 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7601 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7602 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7603 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 7604 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 7605 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 7606 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,0]=3 7607 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,0]=3 7608 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,0]=3 7609 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,0]=3 7610 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,0]=3 7611 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,0]=3 7612 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,0]=3 7613 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,0]=3 7614 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,0]=3 7615 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|2,0,0]=4 7616 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|2,0,0]=4 7617 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|2,0,0]=4 7618 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,0]=3 7619 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,0]=3 7620 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,0]=3 7621 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,0]=3 7622 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,0]=3 7623 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|2,0,0]=4 7624 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|2,0,0]=4 7625 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,0]=3 7626 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,0]=3 7627 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,1,0,0,0,0|1,0,0]=3 7628 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,1,0,0,0,0|1,0,0]=3 7629 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,0]=3 7630 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,1,0,0,0,0|1,0,0]=3 7631 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,1,0,0,0,0|2,0,0]=4 7632 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,0]=3 7633 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,0]=3 7634 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|1,0,1]=4 7635 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|1,0,1]=4 7636 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,1,0,0,0,0|1,0,0]=3 7637 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,1,0,0,0,0|2,0,0]=4 7638 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,1,0,0,0,0|2,0,0]=4 7639 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [1,1,0,0,0,0|2,0,0]=4 7640 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,1,0,0,0,0|1,0,0]=3 7641 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,0]=3 7642 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,1,0,0,0,0|1,0,0]=3 7643 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,1,0,0,0,0|1,0,0]=3 7644 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,0]=3 7645 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,1,0,0,0,0|2,0,0]=4 7646 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,0]=3 7647 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [1,1,0,0,0,0|2,0,0]=4 7648 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|1,0,1]=4 7649 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|1,0,1]=4 7650 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|1,0,1]=4 7651 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,1,0,0,0,0|1,0,0]=3 7652 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,1,0,0,0,0|1,0,0]=3 7653 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,1,0,0,0,0|2,0,0]=4 7654 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,1,0,0,0,0|1,0,0]=3 7655 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,1,0,0,0,0|1,0,0]=3 7656 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,0]=3 7657 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,0]=3 7658 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,1,0,0,0,0|1,0,0]=3 7659 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,1,0,0,0,0|1,0,0]=3 7660 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|1,0,0]=3 7661 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|1,0,0]=3 7662 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [1,1,0,0,0,0|2,0,0]=4 7663 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [1,1,0,0,0,0|2,0,0]=4 7664 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,0]=3 7665 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,0]=3 7666 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 7667 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [1,1,0,0,0,0|2,0,0]=4 7668 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,0]=3 7669 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,0]=3 7670 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,0]=3 7671 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,0]=3 7672 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,0]=3 7673 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,0]=3 7674 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 7675 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [1,1,0,0,0,0|2,0,0]=4 7676 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,1,0,0,0,0|2,0,0]=4 7677 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 7678 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,1,0,0,0,0|2,0,0]=4 7679 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,1,0,0,0,0|2,0,0]=4 7680 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,1,0,0,0,0|2,0,0]=4 7681 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,1,0,0,0,0|2,0,0]=4 7682 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,0]=3 7683 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,0]=3 7684 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,0]=3 7685 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,0]=3 7686 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,0]=3 7687 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|1,0,1]=4 7688 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|1,0,1]=4 7689 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,1]=4 7690 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,0]=3 7691 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|2,0,0]=4 7692 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|2,0,0]=4 7693 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,1,0,0,0,0|2,0,0]=4 7694 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,1,0,0,0,0|2,0,0]=4 7695 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [1,1,0,0,0,0|2,0,0]=4 7696 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [1,1,0,0,0,0|2,0,0]=4 7697 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|2,0,0]=4 7698 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|2,0,0]=4 7699 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|2,0,0]=4 7700 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|1,0,1]=4 7701 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|1,0,1]=4 7702 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,1]=4 7703 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [1,1,0,0,0,0|2,0,0]=4 7704 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [1,1,0,0,0,0|2,0,0]=4 7705 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [1,1,0,0,0,0|2,0,0]=4 7706 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,0]=3 7707 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,0]=3 7708 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [1,1,0,0,0,0|2,0,0]=4 7709 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [1,1,0,0,0,0|2,0,0]=4 7710 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,1,0,0,0,0|2,0,0]=4 7711 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,0]=3 7712 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [1,1,0,0,0,0|2,0,0]=4 7713 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [1,1,0,0,0,0|2,0,0]=4 7714 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,0]=3 7715 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,0]=3 7716 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [1,1,0,0,0,0|2,0,0]=4 7717 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [1,1,0,0,0,0|2,0,0]=4 7718 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [1,1,0,0,0,0|2,0,0]=4 7719 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [1,1,0,0,0,0|2,0,0]=4 7720 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [1,1,0,0,0,0|2,0,0]=4 7721 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,1]=4 7722 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 7723 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [1,1,0,0,0,0|2,0,0]=4 7724 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [1,1,0,0,0,0|2,0,0]=4 7725 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [1,1,0,0,0,0|2,0,0]=4 7726 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,1]=4 7727 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 7728 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 7729 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 7730 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 7731 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 7732 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,1,0,0,0,0|2,0,0]=4 7733 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,1,0,0,0,0|2,0,0]=4 7734 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,1,0,0,0,0|2,0,0]=4 7735 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [1,1,0,0,0,0|2,0,0]=4 7736 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [1,1,0,0,0,0|2,0,0]=4 7737 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [1,1,0,0,0,0|2,0,0]=4 7738 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [1,1,0,0,0,0|2,0,0]=4 7739 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [1,1,0,0,0,0|2,0,0]=4 7740 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [1,1,0,0,0,0|2,0,0]=4 7741 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,1,0,0,0,0|2,0,0]=4 7742 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,1,0,0,0,0|2,0,0]=4 7743 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [1,1,0,0,0,0|2,0,0]=4 7744 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [1,1,0,0,0,0|2,0,0]=4 7745 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [1,1,0,0,0,0|2,0,0]=4 7746 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [1,1,0,0,0,0|2,0,0]=4 7747 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [1,1,0,0,0,0|2,0,0]=4 7748 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,1,0,0,0,0|2,0,0]=4 7749 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,1,0,0,0,0|2,0,0]=4 7750 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [1,1,0,0,0,0|2,0,0]=4 7751 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [1,1,0,0,0,0|2,0,0]=4 7752 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [1,1,0,0,0,0|2,0,0]=4 7753 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [1,1,0,0,0,0|2,0,0]=4 7754 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [1,1,0,0,0,0|2,0,0]=4 7755 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [1,1,0,0,0,0|2,0,0]=4 7756 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [1,1,0,0,0,0|2,0,0]=4 7757 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [1,1,0,0,0,0|2,0,0]=4 7758 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [1,1,0,0,0,0|2,0,0]=4 7759 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [1,1,0,0,0,0|2,0,0]=4 7760 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [1,1,0,0,0,0|2,0,0]=4 7761 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [1,1,0,0,0,0|2,0,0]=4 7762 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 7763 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,1,0,0,0,0|2,0,0]=4 7764 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,1,0,0,0,0|2,0,0]=4 7765 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,1,0,0,0,0|2,0,0]=4 7766 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,1,0,0,0,0|2,0,0]=4 7767 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,1,0,0,0,0|2,0,0]=4 7768 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,1,0,0,0,0|2,0,0]=4 7769 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,1,0,0,0,0|2,0,0]=4 7770 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,1,0,0,0,0|2,0,0]=4 7771 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,1,0,0,0,0|2,0,0]=4 7772 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [1,1,0,0,0,0|2,0,0]=4 7773 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|2,0,0]=4 7774 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [1,1,0,0,0,0|2,0,0]=4 7775 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [1,1,0,0,0,0|2,0,0]=4 7776 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,1,0,0,0,0|2,0,0]=4 7777 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,1,0,0,0,0|2,0,0]=4 7778 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,1,0,0,0,0|2,0,0]=4 7779 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,1,0,0,0,0|2,0,0]=4 7780 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [1,1,0,0,0,0|2,0,0]=4 7781 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,1]=4 7782 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,1]=4 7783 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 7784 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [1,1,0,0,0,0|2,0,0]=4 7785 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [1,1,0,0,0,0|2,0,0]=4 7786 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [1,1,0,0,0,0|2,0,0]=4 7787 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [1,1,0,0,0,0|2,0,0]=4 7788 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,1,0,0,0,0|2,0,0]=4 7789 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,1,0,0,0,0|2,0,0]=4 7790 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,1,0,0,0,0|2,0,0]=4 7791 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [1,1,0,0,0,0|2,0,0]=4 7792 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [1,1,0,0,0,0|2,0,0]=4 7793 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,1,0,0,0,0|2,0,0]=4 7794 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,1,0,0,0,0|2,0,0]=4 7795 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,1,0,0,0,0|2,0,0]=4 7796 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [1,1,0,0,0,0|2,0,0]=4 7797 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,1,0,0,0,0|2,0,0]=4 7798 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,1,0,0,0,0|2,0,0]=4 7799 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [1,1,0,0,0,0|2,0,0]=4 7800 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [1,1,0,0,0,0|2,0,0]=4 7801 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,1,0,0,0,0|2,0,0]=4 7802 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,1,0,0,0,0|2,0,0]=4 7803 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [1,1,0,0,0,0|2,0,0]=4 7804 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [1,1,0,0,0,0|2,0,0]=4 7805 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [1,1,0,0,0,0|2,0,0]=4 7806 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [1,1,0,0,0,0|2,0,0]=4 7807 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [1,1,0,0,0,0|2,0,0]=4 7808 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [1,1,0,0,0,0|2,0,0]=4 7809 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|2,0,0]=4 7810 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [1,1,0,0,0,0|1,0,1]=4 7811 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [1,1,0,0,0,0|2,0,0]=4 7812 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [1,1,0,0,0,0|2,0,0]=4 7813 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [1,1,0,0,0,0|2,0,0]=4 7814 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [1,1,0,0,0,0|2,0,0]=4 7815 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [1,1,0,0,0,0|2,0,0]=4 7816 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [1,1,0,0,0,0|2,0,0]=4 7817 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [1,1,0,0,0,0|2,0,0]=4 7818 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [1,1,0,0,0,0|2,0,0]=4 7819 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [1,1,0,0,0,0|2,0,0]=4 7820 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [1,1,0,0,0,0|2,0,0]=4 7821 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,1,0,0,0,0|1,0,1]=4 7822 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,1,0,0,0,0|1,0,1]=4 7823 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,1,0,0,0,0|0,0,1]=3 7824 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,1,0,0,0,0|0,0,1]=3 7825 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,2]=4 7826 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,2]=4 7827 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,2]=4 7828 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7829 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 7830 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|2,0,0]=4 7831 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [1,1,0,0,0,0|2,0,0]=4 7832 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [1,1,0,0,0,0|2,0,0]=4 7833 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [1,1,0,0,0,0|2,0,0]=4 7834 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|2,0,0]=4 7835 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|2,0,0]=4 7836 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|2,0,0]=4 7837 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [1,1,0,0,0,0|2,0,0]=4 7838 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [1,1,0,0,0,0|2,0,0]=4 7839 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,1,0,0,0,0|2,0,0]=4 7840 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,1,0,0,0,0|2,0,0]=4 7841 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,1,0,0,0,0|2,0,0]=4 7842 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,1,0,0,0,0|2,0,0]=4 7843 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,1,0,0,0,0|2,0,0]=4 7844 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,1,0,0,0,0|1,0,0]=3 7845 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,1,0,0,0,0|1,0,0]=3 7846 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,1,0,0,0,0|1,0,0]=3 7847 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,1,0,0,0,0|1,0,0]=3 7848 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,1,0,0,0,0|1,0,0]=3 7849 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,1,0,0,0,0|1,0,0]=3 7850 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [1,1,0,0,0,0|1,0,1]=4 7851 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,1,0,0,0,0|2,0,0]=4 7852 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,1,0,0,0,0|2,0,0]=4 7853 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|2,0,0]=4 7854 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|2,0,0]=4 7855 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|2,0,0]=4 7856 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,1,0,0,0,0|2,0,0]=4 7857 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,1,0,0,0,0|2,0,0]=4 7858 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [1,1,0,0,0,0|1,0,1]=4 7859 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [1,1,0,0,0,0|2,0,0]=4 7860 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [1,1,0,0,0,0|2,0,0]=4 7861 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|2,0,0]=4 7862 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [1,1,0,0,0,0|1,0,1]=4 7863 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [1,1,0,0,0,0|2,0,0]=4 7864 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [1,1,0,0,0,0|2,0,0]=4 7865 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [1,1,0,0,0,0|1,0,1]=4 7866 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [1,1,0,0,0,0|1,0,1]=4 7867 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [1,1,0,0,0,0|2,0,0]=4 7868 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [1,1,0,0,0,0|2,0,0]=4 7869 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [1,1,0,0,0,0|2,0,0]=4 7870 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,1]=4 7871 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,1]=4 7872 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,1]=4 7873 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|1,0,1]=4 7874 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,1]=3 7875 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,1]=3 7876 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|0,0,2]=4 7877 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|0,0,2]=4 7878 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|0,0,2]=4 7879 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [1,1,0,0,0,0|2,0,0]=4 7880 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [1,1,0,0,0,0|2,0,0]=4 7881 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [1,1,0,0,0,0|2,0,0]=4 7882 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,2]=4 7883 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,2]=4 7884 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,1,0,0,0,0|2,0,0]=4 7885 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,1,0,0,0,0|2,0,0]=4 7886 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,1,0,0,0,0|2,0,0]=4 7887 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,1,0,0,0,0|2,0,0]=4 7888 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,1,0,0,0,0|2,0,0]=4 7889 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,1,0,0,0,0|2,0,0]=4 7890 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,1,0,0,0,0|2,0,0]=4 7891 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,1]=4 7892 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 7893 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,1]=4 7894 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [1,1,0,0,0,0|2,0,0]=4 7895 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [1,1,0,0,0,0|2,0,0]=4 7896 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [1,1,0,0,0,0|2,0,0]=4 7897 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [1,1,0,0,0,0|2,0,0]=4 7898 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,1,0,0,0,0|2,0,0]=4 7899 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,1]=4 7900 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,1]=4 7901 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [1,1,0,0,0,0|2,0,0]=4 7902 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,1]=4 7903 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,1]=4 7904 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,1]=4 7905 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 7906 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,1]=4 7907 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 7908 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,1,0,0,0,0|2,0,0]=4 7909 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 7910 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 7911 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,1,0,0,0,0|2,0,0]=4 7912 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,1,0,0,0,0|2,0,0]=4 7913 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [1,1,0,0,0,0|2,0,0]=4 7914 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [1,1,0,0,0,0|2,0,0]=4 7915 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [1,1,0,0,0,0|2,0,0]=4 7916 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [1,1,0,0,0,0|2,0,0]=4 7917 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 7918 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [1,1,0,0,0,0|2,0,0]=4 7919 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [1,1,0,0,0,0|2,0,0]=4 7920 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [1,1,0,0,0,0|2,0,0]=4 7921 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [1,1,0,0,0,0|2,0,0]=4 7922 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [1,1,0,0,0,0|2,0,0]=4 7923 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [1,1,0,0,0,0|2,0,0]=4 7924 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [1,1,0,0,0,0|2,0,0]=4 7925 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [1,1,0,0,0,0|2,0,0]=4 7926 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [1,1,0,0,0,0|2,0,0]=4 7927 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,1]=4 7928 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,1]=4 7929 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,1]=3 7930 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 7931 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 7932 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 7933 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|0,0,2]=4 7934 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|0,0,2]=4 7935 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,1,0,0,0,0|2,0,0]=4 7936 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,1,0,0,0,0|2,0,0]=4 7937 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,1,0,0,0,0|2,0,0]=4 7938 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,1,0,0,0,0|2,0,0]=4 7939 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,1,0,0,0,0|2,0,0]=4 7940 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,1,0,0,0,0|2,0,0]=4 7941 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,1,0,0,0,0|2,0,0]=4 7942 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,1,0,0,0,0|2,0,0]=4 7943 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,1,0,0,0,0|2,0,0]=4 7944 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,1,0,0,0,0|2,0,0]=4 7945 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [1,1,0,0,0,0|1,0,0]=3 7946 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [1,1,0,0,0,0|1,0,0]=3 7947 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [1,1,0,0,0,0|1,0,0]=3 7948 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [1,1,0,0,0,0|1,0,0]=3 7949 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [1,1,0,0,0,0|2,0,0]=4 7950 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,1,0,0,0,0|2,0,0]=4 7951 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,1,0,0,0,0|2,0,0]=4 7952 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [1,1,0,0,0,0|2,0,0]=4 7953 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [1,1,0,0,0,0|1,0,0]=3 7954 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [1,1,0,0,0,0|2,0,0]=4 7955 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [1,1,0,0,0,0|2,0,0]=4 7956 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [1,1,0,0,0,0|1,0,0]=3 7957 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,1,0,0,0,0|2,0,0]=4 7958 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,1,0,0,0,0|2,0,0]=4 7959 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [1,1,0,0,0,0|1,0,0]=3 7960 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [1,1,0,0,0,0|1,0,0]=3 7961 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [1,1,0,0,0,0|1,0,0]=3 7962 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [1,1,0,0,0,0|1,0,0]=3 7963 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [1,1,0,0,0,0|2,0,0]=4 7964 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [1,1,0,0,0,0|2,0,0]=4 7965 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [1,1,0,0,0,0|2,0,0]=4 7966 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,1,0,0,0,0|2,0,0]=4 7967 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [1,1,0,0,0,0|2,0,0]=4 7968 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [1,1,0,0,0,0|2,0,0]=4 7969 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 7970 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 7971 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,1,0,0,0,0|2,0,0]=4 7972 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,1,0,0,0,0|2,0,0]=4 7973 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,1,0,0,0,0|2,0,0]=4 7974 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,1,0,0,0,0|2,0,0]=4 7975 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,1,0,0,0,0|1,0,0]=3 7976 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,1,0,0,0,0|1,0,0]=3 7977 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 7978 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,1,0,0,0,0|2,0,0]=4 7979 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,1,0,0,0,0|2,0,0]=4 7980 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,1,0,0,0,0|2,0,0]=4 7981 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,1,0,0,0,0|2,0,0]=4 7982 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,1,0,0,0,0|2,0,0]=4 7983 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,1,0,0,0,0|2,0,0]=4 7984 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,1,0,0,0,0|2,0,0]=4 7985 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,1]=4 7986 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,1,0,0,0,0|2,0,0]=4 7987 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,1,0,0,0,0|2,0,0]=4 7988 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,1,0,0,0,0|2,0,0]=4 7989 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,1,0,0,0,0|2,0,0]=4 7990 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 7991 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|2,0,0]=4 7992 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 7993 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [1,1,0,0,0,0|2,0,0]=4 7994 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [1,1,0,0,0,0|2,0,0]=4 7995 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [1,1,0,0,0,0|2,0,0]=4 7996 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [1,1,0,0,0,0|2,0,0]=4 7997 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,1,0,0,0,0|2,0,0]=4 7998 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,1,0,0,0,0|2,0,0]=4 7999 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [1,1,0,0,0,0|2,0,0]=4 8000 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [1,1,0,0,0,0|2,0,0]=4 8001 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [1,1,0,0,0,0|2,0,0]=4 8002 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|1,0,0]=3 8003 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|1,0,0]=3 8004 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [1,1,0,0,0,0|2,0,0]=4 8005 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [1,1,0,0,0,0|2,0,0]=4 8006 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [1,1,0,0,0,0|2,0,0]=4 8007 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [1,1,0,0,0,0|2,0,0]=4 8008 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [1,1,0,0,0,0|2,0,0]=4 8009 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [1,1,0,0,0,0|2,0,0]=4 8010 B8R0.21 CC(C)(O)COCCBr 34a_100000211926_100000764493 [1,1,0,0,0,0|2,0,0]=4 8011 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [1,1,0,0,0,0|2,0,0]=4 8012 B8R0.21 CC(C)(O)CSCCF 62a_100000764493_100011217306 [1,1,0,0,0,0|2,0,0]=4 8013 B8R0.21 CC(C)(O)CSCCF 62a_100011217306_100000764493 [1,1,0,0,0,0|2,0,0]=4 8014 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [1,1,0,0,0,0|2,0,0]=4 8015 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [1,1,0,0,0,0|2,0,0]=4 8016 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [1,1,0,0,0,0|2,0,0]=4 8017 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [1,1,0,0,0,0|2,0,0]=4 8018 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [1,1,0,0,0,0|2,0,0]=4 8019 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [1,1,0,0,0,0|2,0,0]=4 8020 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [1,1,0,0,0,0|2,0,0]=4 8021 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [1,1,0,0,0,0|2,0,0]=4 8022 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [1,1,0,0,0,0|2,0,0]=4 8023 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [1,1,0,0,0,0|2,0,0]=4 8024 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [1,1,0,0,0,0|2,0,0]=4 8025 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [1,1,0,0,0,0|1,0,0]=3 8026 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [1,1,0,0,0,0|2,0,0]=4 8027 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [1,1,0,0,0,0|2,0,0]=4 8028 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [1,1,0,0,0,0|2,0,0]=4 8029 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [1,1,0,0,0,0|1,0,0]=3 8030 B8R0.21 CCCOCC(C)(F)F 34a_100000068830_100000210303 [1,1,0,0,0,0|2,0,0]=4 8031 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [1,1,0,0,0,0|2,0,0]=4 8032 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [1,1,0,0,0,0|2,0,0]=4 8033 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [1,1,0,0,0,0|2,0,0]=4 8034 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [1,1,0,0,0,0|2,0,0]=4 8035 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [1,1,0,0,0,0|1,0,0]=3 8036 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [1,1,0,0,0,0|1,0,0]=3 8037 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [1,1,0,0,0,0|2,0,0]=4 8038 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [1,1,0,0,0,0|2,0,0]=4 8039 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [1,1,0,0,0,0|2,0,0]=4 8040 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,0]=3 8041 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [1,1,0,0,0,0|2,0,0]=4 8042 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [1,1,0,0,0,0|2,0,0]=4 8043 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|1,0,0]=3 8044 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [1,1,0,0,0,0|2,0,0]=4 8045 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [1,1,0,0,0,0|2,0,0]=4 8046 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|1,0,0]=3 8047 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|1,0,0]=3 8048 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|1,0,0]=3 8049 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|1,0,0]=3 8050 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|1,0,0]=3 8051 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|1,0,0]=3 8052 B8R0.21 COCNCC(C)(C)O 2230a_100000751335_100000766300 [1,1,0,0,0,0|2,0,0]=4 8053 B8R0.21 COCSCC(C)(C)O 62a_100000764493_100000766300 [1,1,0,0,0,0|2,0,0]=4 8054 B8R0.21 COCSCC(C)(C)O 62a_100000766300_100000764493 [1,1,0,0,0,0|2,0,0]=4 8055 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|1,0,0]=3 8056 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|1,0,0]=3 8057 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [1,1,0,0,0,0|2,0,0]=4 8058 B8R0.21 CSCSCC(C)(C)O 62a_100000764493_100011218213 [1,1,0,0,0,0|2,0,0]=4 8059 B8R0.21 CSCSCC(C)(C)O 62a_100011218213_100000764493 [1,1,0,0,0,0|2,0,0]=4 8060 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [1,1,0,0,0,0|1,0,1]=4 8061 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [1,1,0,0,0,0|1,0,1]=4 8062 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,1,0,0,0,0|1,0,1]=4 8063 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,1,0,0,0,0|1,0,1]=4 8064 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [1,1,0,0,0,0|1,0,1]=4 8065 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [1,1,0,0,0,0|1,0,1]=4 8066 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [1,1,0,0,0,0|1,0,1]=4 8067 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [1,1,0,0,0,0|1,0,1]=4 8068 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,2]=4 8069 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,2]=4 8070 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,1]=3 8071 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,1]=4 8072 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,1]=4 8073 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,1]=4 8074 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,1]=4 8075 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,1,0,0,0,0|2,0,0]=4 8076 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [1,1,0,0,0,0|1,0,0]=3 8077 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,2]=4 8078 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 8079 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 8080 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,1,0,0,0,0|2,0,0]=4 8081 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,1,0,0,0,0|2,0,0]=4 8082 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,1,0,0,0,0|2,0,0]=4 8083 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,1,0,0,0,0|2,0,0]=4 8084 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,1,0,0,0,0|2,0,0]=4 8085 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,1,0,0,0,0|2,0,0]=4 8086 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,1,0,0,0,0|2,0,0]=4 8087 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,1,0,0,0,0|2,0,0]=4 8088 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,1,0,0,0,0|2,0,0]=4 8089 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,1,0,0,0,0|2,0,0]=4 8090 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,1,0,0,0,0|1,0,0]=3 8091 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,1,0,0,0,0|1,0,0]=3 8092 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,1,0,0,0,0|1,0,0]=3 8093 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,1,0,0,0,0|1,0,0]=3 8094 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,1,0,0,0,0|1,0,0]=3 8095 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,1,0,0,0,0|1,0,0]=3 8096 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,1,0,0,0,0|1,0,0]=3 8097 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,1,0,0,0,0|2,0,0]=4 8098 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,1,0,0,0,0|2,0,0]=4 8099 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,1,0,0,0,0|2,0,0]=4 8100 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,1,0,0,0,0|1,0,0]=3 8101 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,1,0,0,0,0|2,0,0]=4 8102 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,1,0,0,0,0|2,0,0]=4 8103 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,1,0,0,0,0|1,0,0]=3 8104 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,1,0,0,0,0|2,0,0]=4 8105 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,1,0,0,0,0|1,0,0]=3 8106 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,1,0,0,0,0|1,0,0]=3 8107 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,1,0,0,0,0|1,0,0]=3 8108 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,1,0,0,0,0|1,0,0]=3 8109 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,1,0,0,0,0|2,0,0]=4 8110 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [1,1,0,0,0,0|1,0,0]=3 8111 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|1,0,0]=3 8112 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|1,0,0]=3 8113 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,1,0,0,0,0|1,0,0]=3 8114 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,1,0,0,0,0|1,0,0]=3 8115 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,1,0,0,0,0|1,0,0]=3 8116 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,1,0,0,0,0|1,0,0]=3 8117 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,1,0,0,0,0|1,0,0]=3 8118 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,1,0,0,0,0|1,0,0]=3 8119 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,1,0,0,0,0|1,0,0]=3 8120 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,1,0,0,0,0|1,0,0]=3 8121 B8R0.28 CC(O)CNCC(F)F 2230a_100000210904_100011934356 [1,1,0,0,0,0|2,0,0]=4 8122 B8R0.28 CC(O)CNCC(F)F 34a_100000210904_100011934356 [1,1,0,0,0,0|2,0,0]=4 8123 B8R0.28 CC(O)CNCC(F)F 34a_100000765723_100011218427 [1,1,0,0,0,0|2,0,0]=4 8124 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,1,0,0,0,0|1,0,0]=3 8125 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,1,0,0,0,0|1,0,0]=3 8126 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [1,1,0,0,0,0|1,0,0]=3 8127 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [1,1,0,0,0,0|1,0,0]=3 8128 B8R0.28 CC(O)COCC(F)F 34a_100000743014_100011218427 [1,1,0,0,0,0|2,0,0]=4 8129 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [1,1,0,0,0,0|1,0,0]=3 8130 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [1,1,0,0,0,0|1,0,0]=3 8131 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,1,0,0,0,0|1,0,0]=3 8132 B8R0.28 CC(O)CSCC(F)F 62a_100011218427_100011934356 [1,1,0,0,0,0|2,0,0]=4 8133 B8R0.28 CC(O)CSCC(F)F 62a_100011934356_100011218427 [1,1,0,0,0,0|2,0,0]=4 8134 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,1,0,0,0,0|1,0,0]=3 8135 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,1,0,0,0,0|1,0,0]=3 8136 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [1,1,0,0,0,0|1,0,0]=3 8137 B8R0.28 C[C@@H](O)CNCC(F)F 34a_100000765723_100009817552 [1,1,0,0,0,0|2,0,0]=4 8138 B8R0.28 C[C@@H](O)COCC(F)F 34a_100000743014_100009817552 [1,1,0,0,0,0|2,0,0]=4 8139 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [1,1,0,0,0,0|1,0,0]=3 8140 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100009817552_100011934356 [1,1,0,0,0,0|2,0,0]=4 8141 B8R0.28 C[C@@H](O)CSCC(F)F 62a_100011934356_100009817552 [1,1,0,0,0,0|2,0,0]=4 8142 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,1,0,0,0,0|1,0,0]=3 8143 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|0,0,2]=4 8144 B10R0.3 C#CCC(C)OCCC(C)O 34a_100000685586_100012276601 [0,2,0,0,0,0|0,0,2]=4 8145 B10R0.3 C#CCC(C)OCCC(C)O 7a_100000685586_100012276601 [0,2,0,0,0,0|0,0,2]=4 8146 B10R0.3 C#CCN(C)CCCC(C)O 2230a_100000225692_200000718107 [0,2,0,0,0,0|0,0,2]=4 8147 B10R0.3 C#CCN(C)CCCC(C)O 34a_100000225692_200000718107 [0,2,0,0,0,0|0,0,2]=4 8148 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [0,2,0,0,0,0|0,0,2]=4 8149 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,2,0,0,0,0|1,0,1]=4 8150 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,2,0,0,0,0|1,0,1]=4 8151 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,2,0,0,0,0|1,0,1]=4 8152 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,2,0,0,0,0|1,0,1]=4 8153 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,2,0,0,0,0|1,0,1]=4 8154 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,2,0,0,0,0|1,0,1]=4 8155 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,2,0,0,0,0|1,0,1]=4 8156 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,2,0,0,0,0|1,0,1]=4 8157 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,2,0,0,0,0|1,0,1]=4 8158 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,2,0,0,0,0|1,0,1]=4 8159 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,2,0,0,0,0|1,0,1]=4 8160 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,2,0,0,0,0|1,0,1]=4 8161 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|0,0,2]=4 8162 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,2,0,0,0,0|0,0,2]=4 8163 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,2,0,0,0,0|0,0,2]=4 8164 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,2,0,0,0,0|0,0,2]=4 8165 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,2,0,0,0,0|0,0,2]=4 8166 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,2,0,0,0,0|0,0,2]=4 8167 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,2,0,0,0,0|0,0,2]=4 8168 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,2,0,0,0,0|0,0,2]=4 8169 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,2,0,0,0,0|0,0,2]=4 8170 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,2,0,0,0,0|0,0,2]=4 8171 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,2,0,0,0,0|0,0,2]=4 8172 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|0,0,2]=4 8173 B10R0.3 CC#CC(C)OCCC(C)O 34a_100011216543_100012276601 [0,2,0,0,0,0|0,0,2]=4 8174 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,2,0,0,0,0|2,0,0]=4 8175 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|1,0,1]=4 8176 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|1,0,1]=4 8177 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|1,0,1]=4 8178 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|2,0,0]=4 8179 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|2,0,0]=4 8180 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 8181 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 8182 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,2,0,0,0,0|2,0,0]=4 8183 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,2,0,0,0,0|2,0,0]=4 8184 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,2,0,0,0,0|2,0,0]=4 8185 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,2,0,0,0,0|2,0,0]=4 8186 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,2,0,0,0,0|2,0,0]=4 8187 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,2,0,0,0,0|2,0,0]=4 8188 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,2,0,0,0,0|2,0,0]=4 8189 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,2,0,0,0,0|2,0,0]=4 8190 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [0,2,0,0,0,0|2,0,0]=4 8191 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|1,0,0]=3 8192 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,2,0,0,0,0|2,0,0]=4 8193 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|0,0,2]=4 8194 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|0,0,1]=3 8195 B10R0.3 CC(O)CCCN(C)CC#N 2230a_100000748184_200000718107 [0,2,0,0,0,0|1,0,1]=4 8196 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,2,0,0,0,0|1,0,0]=3 8197 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,2,0,0,0,0|1,0,0]=3 8198 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|1,0,1]=4 8199 B10R0.3 CC(O)CCNC(C)CC#N 2230a_200000755665_100009813641 [0,2,0,0,0,0|1,0,1]=4 8200 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,2,0,0,0,0|1,0,0]=3 8201 B10R0.3 CC(O)CCN[C@@H](C)CC#N 2230a_100016994482_100012276601 [0,2,0,0,0,0|1,0,1]=4 8202 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,2,0,0,0,0|1,0,0]=3 8203 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,2,0,0,0,0|1,0,0]=3 8204 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,2,0,0,0,0|1,0,0]=3 8205 B10R0.3 CC(O)CCSC(C)CC#N 62a_100009813641_100012276601 [0,2,0,0,0,0|1,0,1]=4 8206 B10R0.3 CC(O)CCSC(C)CC#N 62a_100012276601_100009813641 [0,2,0,0,0,0|1,0,1]=4 8207 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,2,0,0,0,0|1,0,0]=3 8208 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,2,0,0,0,0|1,0,0]=3 8209 B10R0.3 CC(O)CNC[C@@H](O)CC#N 2230a_100000210904_100000001066 [0,2,0,0,0,0|1,0,1]=4 8210 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [0,2,0,0,0,0|1,0,0]=3 8211 B10R0.3 CC(O)CSC[C@@H](O)CC#N 62a_100000001066_100011218427 [0,2,0,0,0,0|1,0,1]=4 8212 B10R0.3 CC(O)CSC[C@@H](O)CC#N 62a_100011218427_100000001066 [0,2,0,0,0,0|1,0,1]=4 8213 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|0,0,2]=4 8214 B10R0.3 CCCC(=NNCC(C)O)C 4a_200000730056_100000211909 [0,2,0,0,0,0|1,0,1]=4 8215 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|0,0,2]=4 8216 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,0]=3 8217 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,0]=3 8218 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|0,0,0]=2 8219 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 8220 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|1,0,1]=4 8221 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|1,0,1]=4 8222 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|1,0,1]=4 8223 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|0,0,1]=3 8224 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|1,0,1]=4 8225 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|1,0,1]=4 8226 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|1,0,1]=4 8227 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|0,0,1]=3 8228 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|0,0,1]=3 8229 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|0,0,1]=3 8230 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|0,0,1]=3 8231 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|1,0,1]=4 8232 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|1,0,1]=4 8233 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|1,0,1]=4 8234 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|1,0,1]=4 8235 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|0,0,1]=3 8236 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|0,0,1]=3 8237 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,2,0,0,0,0|1,0,1]=4 8238 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,2,0,0,0,0|1,0,0]=3 8239 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,2,0,0,0,0|1,0,0]=3 8240 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|1,0,1]=4 8241 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,2,0,0,0,0|1,0,0]=3 8242 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,2,0,0,0,0|1,0,0]=3 8243 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,2,0,0,0,0|1,0,0]=3 8244 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,2,0,0,0,0|0,0,0]=2 8245 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,2,0,0,0,0|0,0,0]=2 8246 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,2,0,0,0,0|0,0,0]=2 8247 B10R0.3 CCCC(C)CNCC(F)F 270004a_100000765723_100000243154 [0,2,0,0,0,0|2,0,0]=4 8248 B10R0.3 CCCC(C)CNCC(F)F 34a_100000765723_100011216630 [0,2,0,0,0,0|2,0,0]=4 8249 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|0,0,2]=4 8250 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,2,0,0,0,0|1,0,0]=3 8251 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,2,0,0,0,0|1,0,0]=3 8252 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,2,0,0,0,0|1,0,0]=3 8253 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,2,0,0,0,0|1,0,0]=3 8254 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,2,0,0,0,0|1,0,0]=3 8255 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|0,0,0]=2 8256 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|0,0,0]=2 8257 B10R0.3 CCCC(C)COCC(F)F 34a_100000688023_100011934356 [0,2,0,0,0,0|2,0,0]=4 8258 B10R0.3 CCCC(C)COCC(F)F 34a_100000743014_100011216630 [0,2,0,0,0,0|2,0,0]=4 8259 B10R0.3 CCCC(C)COCC(F)F 7a_100000688023_100011934356 [0,2,0,0,0,0|2,0,0]=4 8260 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,2,0,0,0,0|1,0,0]=3 8261 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,2,0,0,0,0|1,0,0]=3 8262 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|0,0,0]=2 8263 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|0,0,0]=2 8264 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,2,0,0,0,0|1,0,0]=3 8265 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,2,0,0,0,0|1,0,0]=3 8266 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,2,0,0,0,0|0,0,0]=2 8267 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,2,0,0,0,0|0,0,0]=2 8268 B10R0.3 CCCC(C)CSCC(F)F 62a_100011216630_100011934356 [0,2,0,0,0,0|2,0,0]=4 8269 B10R0.3 CCCC(C)CSCC(F)F 62a_100011934356_100011216630 [0,2,0,0,0,0|2,0,0]=4 8270 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,2,0,0,0,0|0,0,0]=2 8271 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,2,0,0,0,0|0,0,0]=2 8272 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,2,0,0,0,0|1,0,0]=3 8273 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,2,0,0,0,0|1,0,0]=3 8274 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,2,0,0,0,0|1,0,0]=3 8275 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,2,0,0,0,0|0,0,0]=2 8276 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,2,0,0,0,0|0,0,0]=2 8277 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,2,0,0,0,0|0,0,0]=2 8278 B10R0.3 CCCC(C)NCCN(C)C 270004a_100000210585_100000211909 [0,2,0,0,0,0|2,0,0]=4 8279 B10R0.3 CCCC(C)NCOC(C)C 2230a_100000741246_100000709892 [0,2,0,0,0,0|2,0,0]=4 8280 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|0,0,2]=4 8281 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|0,0,2]=4 8282 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|0,0,2]=4 8283 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,2,0,0,0,0|1,0,0]=3 8284 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|1,0,0]=3 8285 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|1,0,0]=3 8286 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|1,0,0]=3 8287 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|1,0,0]=3 8288 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|0,0,0]=2 8289 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|0,0,0]=2 8290 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [0,2,0,0,0,0|2,0,0]=4 8291 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,2,0,0,0,0|2,0,0]=4 8292 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,2,0,0,0,0|1,0,0]=3 8293 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,2,0,0,0,0|2,0,0]=4 8294 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|0,0,2]=4 8295 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|0,0,2]=4 8296 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,2,0,0,0,0|1,0,0]=3 8297 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,2,0,0,0,0|1,0,0]=3 8298 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,2,0,0,0,0|0,0,0]=2 8299 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,2,0,0,0,0|0,0,0]=2 8300 B10R0.3 CCCC(C)SCCN(C)C 62a_100000766640_100000755713 [0,2,0,0,0,0|2,0,0]=4 8301 B10R0.3 CCCC(C)SCOC(C)C 62a_100000709892_100000766640 [0,2,0,0,0,0|2,0,0]=4 8302 B10R0.3 CCCC(C)SCOC(C)C 62a_100000766640_100000709892 [0,2,0,0,0,0|2,0,0]=4 8303 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|0,0,2]=4 8304 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|1,0,1]=4 8305 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,2,0,0,0,0|1,0,0]=3 8306 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,2,0,0,0,0|1,0,0]=3 8307 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|0,0,0]=2 8308 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|0,0,0]=2 8309 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000225831_100000210303 [0,2,0,0,0,0|2,0,0]=4 8310 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000717312_200000210301 [0,2,0,0,0,0|2,0,0]=4 8311 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000747261_100000757444 [0,2,0,0,0,0|2,0,0]=4 8312 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,2,0,0,0,0|2,0,0]=4 8313 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,2,0,0,0,0|2,0,0]=4 8314 B10R0.3 CCCN(C)CCSC(C)C 2230a_100000747261_100000730970 [0,2,0,0,0,0|2,0,0]=4 8315 B10R0.3 CCCN(C)CCSC(C)C 269982a_100000747261_100000730970 [0,2,0,0,0,0|2,0,0]=4 8316 B10R0.3 CCCN([13CH3])CCCN(C)C 269982a_100000717312_200025704644 [0,2,0,0,0,0|2,0,0]=4 8317 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,2,0,0,0,0|1,0,0]=3 8318 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,2,0,0,0,0|1,0,0]=3 8319 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|0,0,0]=2 8320 B10R0.3 CCC[C@H](N)COCC(F)F 34a_100000732646_100011934356 [0,2,0,0,0,0|2,0,0]=4 8321 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|0,0,0]=2 8322 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|1,0,1]=4 8323 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|1,0,1]=4 8324 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|1,0,1]=4 8325 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|0,0,1]=3 8326 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,2,0,0,0,0|1,0,1]=4 8327 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,2,0,0,0,0|1,0,1]=4 8328 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,2,0,0,0,0|1,0,1]=4 8329 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,2,0,0,0,0|1,0,1]=4 8330 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,2,0,0,0,0|1,0,1]=4 8331 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,2,0,0,0,0|1,0,1]=4 8332 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,2,0,0,0,0|1,0,1]=4 8333 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,2,0,0,0,0|1,0,1]=4 8334 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|1,0,1]=4 8335 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|1,0,1]=4 8336 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|1,0,1]=4 8337 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|1,0,1]=4 8338 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,2,0,0,0,0|1,0,0]=3 8339 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,2,0,0,0,0|1,0,0]=3 8340 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,2,0,0,0,0|2,0,0]=4 8341 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 8342 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,1]=4 8343 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,0,1]=4 8344 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,0,1]=4 8345 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,0,1]=4 8346 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,0,1]=4 8347 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,0]=3 8348 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,0]=3 8349 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|1,0,1]=4 8350 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|1,0,1]=4 8351 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|0,0,1]=3 8352 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|1,0,1]=4 8353 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|1,0,1]=4 8354 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,2,0,0,0,0|2,0,0]=4 8355 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,2,0,0,0,0|1,0,0]=3 8356 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,2,0,0,0,0|1,0,0]=3 8357 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,2,0,0,0,0|2,0,0]=4 8358 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,2,0,0,0,0|2,0,0]=4 8359 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,2,0,0,0,0|2,0,0]=4 8360 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,2,0,0,0,0|2,0,0]=4 8361 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,2,0,0,0,0|1,0,0]=3 8364 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,2,0,0,0,0|1,0,0]=3 8365 B10R0.3 COCC(N)COCC(C)C 34a_100000724102_100000210624 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [0,2,0,0,0,0|1,0,0]=3 8367 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [0,2,0,0,0,0|1,0,0]=3 8368 B10R0.3 COCC(O)CNCC(C)C 2230a_100000756049_100000210760 [0,2,0,0,0,0|2,0,0]=4 8369 B10R0.3 COCC(O)CNCC(C)C 270004a_100000756049_100000210432 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.3 COCC(O)CNCC(C)C 34a_100000210953_100011215053 [0,2,0,0,0,0|2,0,0]=4 8371 B10R0.3 COCC(O)CNCC(C)C 34a_100000756049_100000210624 [0,2,0,0,0,0|2,0,0]=4 8372 B10R0.3 COCC(O)CNCC(C)O 2230a_100000756049_100011218427 [0,2,0,0,0,0|1,0,0]=3 8373 B10R0.3 COCC(O)CNCC(C)O 34a_100000210904_100011215053 [0,2,0,0,0,0|1,0,0]=3 8374 B10R0.3 COCC(O)CNCC(C)O 34a_100000756049_100011218427 [0,2,0,0,0,0|1,0,0]=3 8375 B10R0.3 COCC(O)CNC[C@@H](C)O 2230a_100000756049_100009817552 [0,2,0,0,0,0|1,0,0]=3 8376 B10R0.3 COCC(O)CNC[C@@H](C)O 34a_100000756049_100009817552 [0,2,0,0,0,0|1,0,0]=3 8377 B10R0.3 COCC(O)COCC(C)Br 34a_100012180447_100011215053 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.3 COCC(O)COCC(C)C 34a_100000210257_100011215053 [0,2,0,0,0,0|2,0,0]=4 8379 B10R0.3 COCC(O)COCC(C)F 34a_100015925927_100011215053 [0,2,0,0,0,0|2,0,0]=4 8380 B10R0.3 COCC(O)COC[C@@H](C)Cl 34a_100016084084_100011215053 [0,2,0,0,0,0|2,0,0]=4 8381 B10R0.3 COCC(O)COC[C@@H](C)N 34a_100000737577_100011215053 [0,2,0,0,0,0|2,0,0]=4 8382 B10R0.3 COCC(O)CSCC(C)C 62a_100000210624_100011215053 [0,2,0,0,0,0|2,0,0]=4 8383 B10R0.3 COCC(O)CSCC(C)C 62a_100011215053_100000210760 [0,2,0,0,0,0|2,0,0]=4 8384 B10R0.3 COCC(O)CSCC(C)O 62a_100011215053_100011218427 [0,2,0,0,0,0|1,0,0]=3 8385 B10R0.3 COCC(O)CSCC(C)O 62a_100011218427_100011215053 [0,2,0,0,0,0|1,0,0]=3 8386 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100009817552_100011215053 [0,2,0,0,0,0|1,0,0]=3 8387 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100011215053_100009817552 [0,2,0,0,0,0|1,0,0]=3 8388 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,2,0,0,0,0|2,0,0]=4 8390 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,2,0,0,0,0|1,0,0]=3 8391 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,2,0,0,0,0|2,0,0]=4 8392 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,2,0,0,0,0|1,0,0]=3 8393 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|1,0,1]=4 8394 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|0,0,1]=3 8395 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|1,0,1]=4 8396 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|1,0,1]=4 8397 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [0,2,0,0,0,0|2,0,0]=4 8398 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [0,2,0,0,0,0|1,0,0]=3 8399 B10R0.3 C[C@@H](O)CSC[C@@H](O)CC#N 62a_100000001066_100009817552 [0,2,0,0,0,0|1,0,1]=4 8400 B10R0.3 C[C@@H](O)CSC[C@@H](O)CC#N 62a_100009817552_100000001066 [0,2,0,0,0,0|1,0,1]=4 8401 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100000227577_100011219619 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100011216503_100011218427 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.44 CC(O)CN(C)CC(O)CO 269982a_100011216503_100011218427 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 2230a_100000227577_100000059175 [0,2,0,0,0,0|2,0,0]=4 8405 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 269982a_100000227577_100000059175 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.44 CC(O)CN(C)C[C@@H](O)CF 2230a_100000227577_100015614560 [0,2,0,0,0,0|2,0,0]=4 8407 B10R0.44 CC(O)CN(C)C[C@@H](O)CO 2230a_100000227577_100009815848 [0,2,0,0,0,0|2,0,0]=4 8408 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|0,0,2]=4 8409 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [0,2,0,0,0,0|1,0,1]=4 8410 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,2,0,0,0,0|1,0,1]=4 8411 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,2,0,0,0,0|1,0,1]=4 8412 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,2,0,0,0,0|0,0,1]=3 8413 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,2,0,0,0,0|0,0,1]=3 8414 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,2,0,0,0,0|2,0,0]=4 8415 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000227577_100000748023 [0,2,0,0,0,0|1,0,0]=3 8422 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000753921_100011218427 [0,2,0,0,0,0|1,0,0]=3 8423 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000227577_100000748023 [0,2,0,0,0,0|1,0,0]=3 8424 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000753921_100011218427 [0,2,0,0,0,0|1,0,0]=3 8425 B10R0.44 CCC(C)CN(C)CC(C)O 270004a_100000227577_100000243153 [0,2,0,0,0,0|1,0,0]=3 8426 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 2230a_100000753921_100009817552 [0,2,0,0,0,0|1,0,0]=3 8427 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 269982a_100000753921_100009817552 [0,2,0,0,0,0|1,0,0]=3 8428 B10R0.44 CCC(C)NC(=O)C[C@@H](C)O 240690a_100000209981_100011933948 [0,2,0,0,0,0|1,0,1]=4 8429 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [0,2,0,0,0,0|2,0,0]=4 8431 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,2,0,0,0,0|2,0,0]=4 8432 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,2,0,0,0,0|2,0,0]=4 8433 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,2,0,0,0,0|2,0,0]=4 8434 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [0,2,0,0,0,0|2,0,0]=4 8435 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [0,2,0,0,0,0|2,0,0]=4 8436 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,2,0,0,0,0|1,0,1]=4 8437 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,2,0,0,0,0|1,0,1]=4 8438 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,2,0,0,0,0|0,0,1]=3 8439 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,2,0,0,0,0|0,0,1]=3 8440 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.44 CCC(O)CN(C)CC(C)O 2230a_100000227577_100011218378 [0,2,0,0,0,0|1,0,0]=3 8443 B10R0.44 CCC(O)CN(C)CC(C)O 269982a_100000227577_100011218378 [0,2,0,0,0,0|1,0,0]=3 8444 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [0,2,0,0,0,0|1,0,1]=4 8445 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,2,0,0,0,0|1,0,1]=4 8446 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,2,0,0,0,0|0,0,1]=3 8447 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [0,2,0,0,0,0|2,0,0]=4 8448 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [0,2,0,0,0,0|2,0,0]=4 8449 B10R0.44 CC[C@H](C)CN(C)CC(C)O 2230a_100000227577_100009816398 [0,2,0,0,0,0|1,0,0]=3 8450 B10R0.44 CC[C@H](C)CN(C)CC(C)O 269982a_100000227577_100009816398 [0,2,0,0,0,0|1,0,0]=3 8451 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,2,0,0,0,0|1,0,1]=4 8452 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 2230a_100011216503_100009817552 [0,2,0,0,0,0|2,0,0]=4 8453 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 269982a_100011216503_100009817552 [0,2,0,0,0,0|2,0,0]=4 8454 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|1,0,1]=4 8455 B10R0.57 CC(O)CCN(C)C(C)CO 2230a_100000693034_100012276601 [0,2,0,0,0,0|2,0,0]=4 8456 B10R0.57 CC(O)CCN(C)C(C)CO 269982a_100000693034_100012276601 [0,2,0,0,0,0|2,0,0]=4 8457 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|1,0,1]=4 8458 B10R0.57 CCC(=O)C(C)NCC(C)O 2230a_100000210904_100000742827 [0,2,0,0,0,0|1,0,1]=4 8459 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100000742827_100011218427 [0,2,0,0,0,0|1,0,1]=4 8460 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100011218427_100000742827 [0,2,0,0,0,0|1,0,1]=4 8461 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100000742827_100009817552 [0,2,0,0,0,0|1,0,1]=4 8462 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000742827 [0,2,0,0,0,0|1,0,1]=4 8463 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|1,0,1]=4 8464 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|1,0,1]=4 8465 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|0,0,1]=3 8466 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,2,0,0,0,0|1,0,1]=4 8467 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,2,0,0,0,0|1,0,1]=4 8468 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,2,0,0,0,0|1,0,1]=4 8469 B10R0.57 CCC(C)C(C)NCC(C)C 269862a_100000210953_100000210599 [0,2,0,0,0,0|2,0,0]=4 8470 B10R0.57 CCC(C)C(C)NCC(C)C 270004a_100000210953_100000210599 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.57 CCC(C)C(C)NCC(C)O 269862a_100000210904_100000210599 [0,2,0,0,0,0|1,0,0]=3 8472 B10R0.57 CCC(C)C(C)NCC(C)O 270004a_100000210904_100000210599 [0,2,0,0,0,0|1,0,0]=3 8473 B10R0.57 CCC(C)C(C)OCC(C)C 7a_100011215189_100000210760 [0,2,0,0,0,0|2,0,0]=4 8474 B10R0.57 CCC(C)C(C)OCC(C)O 7a_100011215189_100011218427 [0,2,0,0,0,0|1,0,0]=3 8475 B10R0.57 CCC(C)C(C)OC[C@@H](C)O 7a_100011215189_100009817552 [0,2,0,0,0,0|1,0,0]=3 8476 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000741768_100000210312 [0,2,0,0,0,0|2,0,0]=4 8477 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000742789_100000758301 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000741768_100000210312 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000742789_100000758301 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.57 CCC(C)N(C)CCC(C)O 2230a_100000741768_100012276601 [0,2,0,0,0,0|1,0,0]=3 8481 B10R0.57 CCC(C)N(C)CCC(C)O 269982a_100000741768_100012276601 [0,2,0,0,0,0|1,0,0]=3 8482 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|1,0,1]=4 8483 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|0,0,1]=3 8484 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,2,0,0,0,0|1,0,1]=4 8485 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|1,0,1]=4 8486 B10R0.57 CCN(C)C(C)CCC(C)C 2230a_100000225621_100011261404 [0,2,0,0,0,0|2,0,0]=4 8487 B10R0.57 CCN(C)C(C)CCC(C)C 269982a_100000225621_100011261404 [0,2,0,0,0,0|2,0,0]=4 8488 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|1,0,1]=4 8489 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|1,0,1]=4 8490 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [0,2,0,0,0,0|2,0,0]=4 8491 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [0,2,0,0,0,0|2,0,0]=4 8492 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [0,2,0,0,0,0|2,0,0]=4 8493 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [0,2,0,0,0,0|2,0,0]=4 8494 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [0,2,0,0,0,0|1,0,1]=4 8497 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [0,2,0,0,0,0|1,0,1]=4 8498 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [0,2,0,0,0,0|1,0,1]=4 8499 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [0,2,0,0,0,0|1,0,1]=4 8500 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [0,2,0,0,0,0|1,0,1]=4 8501 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [0,2,0,0,0,0|1,0,1]=4 8502 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [0,2,0,0,0,0|1,0,1]=4 8503 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [0,2,0,0,0,0|1,0,1]=4 8504 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [0,2,0,0,0,0|1,0,1]=4 8505 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.59 CC(CN)COC[C@@H](C)CO 34a_100000744482_100000059175 [0,2,0,0,0,0|2,0,0]=4 8507 B10R0.59 CC(CN)COC[C@@H](O)CF 34a_100000744482_100015614560 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.59 CC(CO)CCNC(C)CO 2230a_106354213184_100012180447 [0,2,0,0,0,0|2,0,0]=4 8510 B10R0.59 CC(CO)CCNC(C)CO 34a_106354213184_100012180447 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,2,0,0,0,0|2,0,0]=4 8512 B10R0.59 CC(CO)CNC[C@@H](C)CO 34a_100000744482_100000059175 [0,2,0,0,0,0|2,0,0]=4 8513 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [0,2,0,0,0,0|2,0,0]=4 8514 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|1,0,1]=4 8516 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,2,0,0,0,0|1,0,1]=4 8517 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|1,0,1]=4 8518 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,2,0,0,0,0|1,0,1]=4 8519 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,2,0,0,0,0|1,0,1]=4 8520 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|1,0,1]=4 8521 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|1,0,1]=4 8522 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,2,0,0,0,0|1,0,1]=4 8523 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,2,0,0,0,0|1,0,1]=4 8524 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|1,0,1]=4 8525 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|1,0,1]=4 8526 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,2,0,0,0,0|1,0,1]=4 8527 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,2,0,0,0,0|1,0,1]=4 8528 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,2,0,0,0,0|1,0,1]=4 8529 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,2,0,0,0,0|1,0,1]=4 8530 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|1,0,1]=4 8531 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|1,0,1]=4 8532 B10R0.59 CCC(C)CCNC(C)C#N 2230a_100020591266_100000184139 [0,2,0,0,0,0|2,0,0]=4 8533 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,2,0,0,0,0|2,0,0]=4 8534 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [0,2,0,0,0,0|1,0,0]=3 8535 B10R0.59 CCC(C)CCOC(C)C#N 7a_100011215188_100000703298 [0,2,0,0,0,0|2,0,0]=4 8536 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,2,0,0,0,0|2,0,0]=4 8537 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,2,0,0,0,0|1,0,0]=3 8538 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [0,2,0,0,0,0|2,0,0]=4 8539 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [0,2,0,0,0,0|2,0,0]=4 8540 B10R0.59 CCC(C)CNCC(C)CO 34a_100000744482_100000748023 [0,2,0,0,0,0|1,0,0]=3 8541 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,2,0,0,0,0|1,0,0]=3 8542 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,2,0,0,0,0|1,0,0]=3 8543 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,2,0,0,0,0|1,0,0]=3 8544 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,2,0,0,0,0|1,0,0]=3 8545 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [0,2,0,0,0,0|2,0,0]=4 8546 B10R0.59 CCC(C)CNC[C@@H](C)CO 2230a_100020588543_100000059175 [0,2,0,0,0,0|1,0,0]=3 8547 B10R0.59 CCC(C)CNC[C@@H](C)OC 2230a_100020591295_100000748023 [0,2,0,0,0,0|1,0,0]=3 8548 B10R0.59 CCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243153 [0,2,0,0,0,0|1,0,0]=3 8549 B10R0.59 CCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243153 [0,2,0,0,0,0|2,0,0]=4 8550 B10R0.59 CCC(C)CNC[C@@H](F)CO 34a_100015665980_100000748023 [0,2,0,0,0,0|2,0,0]=4 8551 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [0,2,0,0,0,0|1,0,0]=3 8552 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,2,0,0,0,0|1,0,0]=3 8553 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,2,0,0,0,0|1,0,0]=3 8554 B10R0.59 CCC(C)COCC(C)CN 34a_100000744482_100000748023 [0,2,0,0,0,0|2,0,0]=4 8555 B10R0.59 CCC(C)COCC(C)OC 34a_100000690652_100000748023 [0,2,0,0,0,0|1,0,0]=3 8556 B10R0.59 CCC(C)COCC(Cl)CCl 34a_100000033668_100000748023 [0,2,0,0,0,0|2,0,0]=4 8557 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,2,0,0,0,0|2,0,0]=4 8558 B10R0.59 CCC(C)COC[C@H](F)CN 34a_100015665980_100000748023 [0,2,0,0,0,0|2,0,0]=4 8559 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [0,2,0,0,0,0|2,0,0]=4 8560 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,2,0,0,0,0|1,0,0]=3 8561 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,2,0,0,0,0|1,0,0]=3 8562 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,2,0,0,0,0|1,0,0]=3 8563 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,2,0,0,0,0|1,0,0]=3 8564 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [0,2,0,0,0,0|2,0,0]=4 8565 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [0,2,0,0,0,0|2,0,0]=4 8566 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000059175_100000748023 [0,2,0,0,0,0|1,0,0]=3 8567 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000748023_100000059175 [0,2,0,0,0,0|1,0,0]=3 8568 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [0,2,0,0,0,0|1,0,0]=3 8569 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [0,2,0,0,0,0|1,0,0]=3 8570 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,2,0,0,0,0|1,0,0]=3 8571 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,2,0,0,0,0|1,0,0]=3 8572 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [0,2,0,0,0,0|1,0,0]=3 8573 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [0,2,0,0,0,0|1,0,0]=3 8574 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,2,0,0,0,0|1,0,0]=3 8575 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [0,2,0,0,0,0|1,0,0]=3 8576 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,2,0,0,0,0|1,0,0]=3 8577 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,2,0,0,0,0|1,0,0]=3 8578 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,2,0,0,0,0|1,0,0]=3 8579 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [0,2,0,0,0,0|1,0,0]=3 8580 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [0,2,0,0,0,0|1,0,0]=3 8581 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [0,2,0,0,0,0|2,0,0]=4 8582 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,2,0,0,0,0|1,0,0]=3 8583 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,2,0,0,0,0|1,0,0]=3 8584 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,2,0,0,0,0|1,0,0]=3 8585 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [0,2,0,0,0,0|2,0,0]=4 8586 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [0,2,0,0,0,0|1,0,0]=3 8587 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [0,2,0,0,0,0|2,0,0]=4 8588 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,2,0,0,0,0|1,0,0]=3 8589 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [0,2,0,0,0,0|2,0,0]=4 8590 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,2,0,0,0,0|1,0,0]=3 8591 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,2,0,0,0,0|1,0,0]=3 8592 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,2,0,0,0,0|1,0,0]=3 8593 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,2,0,0,0,0|1,0,0]=3 8594 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,2,0,0,0,0|1,0,0]=3 8595 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [0,2,0,0,0,0|1,0,0]=3 8596 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [0,2,0,0,0,0|1,0,0]=3 8597 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [0,2,0,0,0,0|1,0,0]=3 8598 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [0,2,0,0,0,0|1,0,0]=3 8599 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,2,0,0,0,0|1,0,0]=3 8600 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,2,0,0,0,0|1,0,0]=3 8601 B10R0.59 CC[C@H](C)CNCC(C)CO 34a_100000744482_100009816398 [0,2,0,0,0,0|1,0,0]=3 8602 B10R0.59 CC[C@H](C)CNC[C@@H](C)OC 2230a_100020591295_100009816398 [0,2,0,0,0,0|1,0,0]=3 8603 B10R0.59 CC[C@H](C)CNC[C@@H](F)CO 34a_100015665980_100009816398 [0,2,0,0,0,0|2,0,0]=4 8604 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,2,0,0,0,0|1,0,0]=3 8605 B10R0.59 CC[C@H](C)COCC(C)CN 34a_100000744482_100009816398 [0,2,0,0,0,0|2,0,0]=4 8606 B10R0.59 CC[C@H](C)COCC(C)OC 34a_100000690652_100009816398 [0,2,0,0,0,0|1,0,0]=3 8607 B10R0.59 CC[C@H](C)COCC(Cl)CCl 34a_100000033668_100009816398 [0,2,0,0,0,0|2,0,0]=4 8608 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,2,0,0,0,0|1,0,0]=3 8609 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,2,0,0,0,0|2,0,0]=4 8610 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [0,2,0,0,0,0|1,0,0]=3 8611 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [0,2,0,0,0,0|1,0,0]=3 8612 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,2,0,0,0,0|1,0,0]=3 8613 B10R0.59 CC[C@H](C)COC[C@H](F)CN 34a_100015665980_100009816398 [0,2,0,0,0,0|2,0,0]=4 8614 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,2,0,0,0,0|1,0,0]=3 8615 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,2,0,0,0,0|1,0,0]=3 8616 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100000059175_100009816398 [0,2,0,0,0,0|1,0,0]=3 8618 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100009816398_100000059175 [0,2,0,0,0,0|1,0,0]=3 8619 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [0,2,0,0,0,0|1,0,0]=3 8620 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [0,2,0,0,0,0|1,0,0]=3 8621 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,2,0,0,0,0|1,0,0]=3 8622 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,2,0,0,0,0|1,0,0]=3 8623 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,2,0,0,0,0|2,0,0]=4 8624 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [0,2,0,0,0,0|2,0,0]=4 8625 B10R0.59 COC(C)COC[C@@H](C)CO 34a_100000690652_100000059175 [0,2,0,0,0,0|2,0,0]=4 8626 B10R0.59 COC(C)COC[C@@H](O)CF 34a_100000690652_100015614560 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [0,2,0,0,0,0|2,0,0]=4 8628 B10R0.59 CO[C@H](C)CNCC(O)CO 2230a_100020591295_100011219619 [0,2,0,0,0,0|2,0,0]=4 8629 B10R0.59 CO[C@H](C)CNC[C@@H](C)CO 2230a_100020591295_100000059175 [0,2,0,0,0,0|2,0,0]=4 8630 B10R0.59 CO[C@H](C)CNC[C@@H](O)CF 2230a_100020591295_100015614560 [0,2,0,0,0,0|2,0,0]=4 8631 B10R0.59 CO[C@H](C)CNC[C@@H](O)CO 2230a_100020591295_100009815848 [0,2,0,0,0,0|2,0,0]=4 8632 B10R0.59 C[C@@H](CO)CNC[C@@H](F)CO 34a_100015665980_100000059175 [0,2,0,0,0,0|2,0,0]=4 8633 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,2,0,0,0,0|2,0,0]=4 8634 B10R0.59 C[C@@H](CO)COCC(Cl)CCl 34a_100000033668_100000059175 [0,2,0,0,0,0|2,0,0]=4 8635 B10R0.59 C[C@@H](CO)COC[C@H](F)CN 34a_100015665980_100000059175 [0,2,0,0,0,0|2,0,0]=4 8636 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,2,0,0,0,0|2,0,0]=4 8637 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,2,0,0,0,0|2,0,0]=4 8638 B10R0.59 C[C@@H](CO)CSC[C@@H](C)CO 62a_100000059175_100000059175 [0,2,0,0,0,0|2,0,0]=4 8639 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [0,2,0,0,0,0|2,0,0]=4 8640 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [0,2,0,0,0,0|2,0,0]=4 8641 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,2,0,0,0,0|2,0,0]=4 8642 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,2,0,0,0,0|2,0,0]=4 8643 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,2,0,0,0,0|2,0,0]=4 8644 B10R0.59 NC[C@@H](F)COC[C@@H](O)CF 34a_100015665980_100015614560 [0,2,0,0,0,0|2,0,0]=4 8645 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.59 OCC(O)CNC[C@H](O)CO 2230a_100020644852_100011219619 [0,2,0,0,0,0|2,0,0]=4 8648 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,2,0,0,0,0|2,0,0]=4 8649 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,2,0,0,0,0|2,0,0]=4 8650 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,2,0,0,0,0|2,0,0]=4 8651 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,2,0,0,0,0|2,0,0]=4 8652 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,2,0,0,0,0|2,0,0]=4 8653 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,2,0,0,0,0|2,0,0]=4 8654 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,2,0,0,0,0|2,0,0]=4 8655 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CO 2230a_100020644852_100009815848 [0,2,0,0,0,0|2,0,0]=4 8656 B10R0.59 OC[C@H](F)CNC[C@@H](O)CF 34a_100015665980_100015614560 [0,2,0,0,0,0|2,0,0]=4 8657 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,2,0,0,0,0|2,0,0]=4 8658 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,2,0,0,0,0|2,0,0]=4 8659 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,2,0,0,0,0|2,0,0]=4 8660 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,2,0,0,0,0|2,0,0]=4 8661 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,2,0,0,0,0|2,0,0]=4 8662 B10R0.59 O[C@@H](CF)COCC(Cl)CCl 34a_100000033668_100015614560 [0,2,0,0,0,0|2,0,0]=4 8663 B10R0.59 O[C@@H](CF)CSC[C@@H](O)CF 62a_100015614560_100015614560 [0,2,0,0,0,0|2,0,0]=4 8664 B10R0.60 CC(C)(O)CNCC(O)CO 2230a_100000751335_100011219619 [0,2,0,0,0,0|2,0,0]=4 8665 B10R0.60 CC(C)(O)CNC[C@@H](F)CO 34a_100015665980_100000764493 [0,2,0,0,0,0|2,0,0]=4 8666 B10R0.60 CC(C)(O)CNC[C@@H](O)CF 2230a_100000751335_100015614560 [0,2,0,0,0,0|2,0,0]=4 8667 B10R0.60 CC(C)(O)CNC[C@@H](O)CO 2230a_100000751335_100009815848 [0,2,0,0,0,0|2,0,0]=4 8668 B10R0.60 CC(C)(O)COCC(Cl)CCl 34a_100000033668_100000764493 [0,2,0,0,0,0|2,0,0]=4 8669 B10R0.60 CC(C)(O)COC[C@H](F)CN 34a_100015665980_100000764493 [0,2,0,0,0,0|2,0,0]=4 8670 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100000764493_100011219619 [0,2,0,0,0,0|2,0,0]=4 8671 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100011219619_100000764493 [0,2,0,0,0,0|2,0,0]=4 8672 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100000764493_100015614560 [0,2,0,0,0,0|2,0,0]=4 8673 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100015614560_100000764493 [0,2,0,0,0,0|2,0,0]=4 8674 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100000764493_100009815848 [0,2,0,0,0,0|2,0,0]=4 8675 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100009815848_100000764493 [0,2,0,0,0,0|2,0,0]=4 8676 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [0,2,0,0,0,0|2,0,0]=4 8677 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [0,2,0,0,0,0|2,0,0]=4 8678 B10R0.60 CC(CN)COCC(C)(C)O 34a_100000744482_100000764493 [0,2,0,0,0,0|2,0,0]=4 8679 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [0,2,0,0,0,0|2,0,0]=4 8680 B10R0.60 CC(CO)CNCC(C)(C)O 34a_100000744482_100000764493 [0,2,0,0,0,0|2,0,0]=4 8681 B10R0.60 CC(CO)SCCC(C)(C)O 62a_100012180447_100000702414 [0,2,0,0,0,0|2,0,0]=4 8682 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [0,2,0,0,0,0|1,0,1]=4 8683 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [0,2,0,0,0,0|1,0,1]=4 8684 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [0,2,0,0,0,0|1,0,1]=4 8685 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,2,0,0,0,0|1,0,1]=4 8686 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,2,0,0,0,0|1,0,1]=4 8687 B10R0.60 CCC(C)CNCC(C)(C)C 2230a_100000743828_100000748023 [0,2,0,0,0,0|2,0,0]=4 8688 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100000743828_100000243153 [0,2,0,0,0,0|2,0,0]=4 8689 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100020588543_100011204126 [0,2,0,0,0,0|2,0,0]=4 8690 B10R0.60 CCC(C)CNCC(C)(C)F 2230a_100020643315_100000748023 [0,2,0,0,0,0|2,0,0]=4 8691 B10R0.60 CCC(C)CNCC(C)(C)F 270004a_100020643315_100000243153 [0,2,0,0,0,0|2,0,0]=4 8692 B10R0.60 CCC(C)CNCC(C)(C)O 2230a_100000751335_100000748023 [0,2,0,0,0,0|1,0,0]=3 8693 B10R0.60 CCC(C)CNCC(C)(C)O 270004a_100000751335_100000243153 [0,2,0,0,0,0|1,0,0]=3 8694 B10R0.60 CCC(C)CNCC(C)(F)F 270004a_100000731000_100000243153 [0,2,0,0,0,0|2,0,0]=4 8695 B10R0.60 CCC(C)COCC(C)(C)F 34a_100000716592_100000748023 [0,2,0,0,0,0|2,0,0]=4 8696 B10R0.60 CCC(C)COCC(C)(F)F 34a_100000068830_100000748023 [0,2,0,0,0,0|2,0,0]=4 8697 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100000748023_100011219605 [0,2,0,0,0,0|2,0,0]=4 8698 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100011219605_100000748023 [0,2,0,0,0,0|2,0,0]=4 8699 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100000748023_100011997219 [0,2,0,0,0,0|2,0,0]=4 8700 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100011997219_100000748023 [0,2,0,0,0,0|2,0,0]=4 8701 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000748023_100000764493 [0,2,0,0,0,0|1,0,0]=3 8702 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000764493_100000748023 [0,2,0,0,0,0|1,0,0]=3 8703 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000209981_100000755188 [0,2,0,0,0,0|2,0,0]=4 8704 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000738805_100000758301 [0,2,0,0,0,0|2,0,0]=4 8705 B10R0.60 CCC(C)NCCC(C)(C)F 2230a_100016253952_100000758301 [0,2,0,0,0,0|2,0,0]=4 8706 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [0,2,0,0,0,0|1,0,0]=3 8707 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [0,2,0,0,0,0|2,0,0]=4 8708 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [0,2,0,0,0,0|2,0,0]=4 8709 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [0,2,0,0,0,0|1,0,0]=3 8710 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000755188_100000758301 [0,2,0,0,0,0|2,0,0]=4 8711 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000758301_100000755188 [0,2,0,0,0,0|2,0,0]=4 8712 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [0,2,0,0,0,0|1,0,0]=3 8713 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [0,2,0,0,0,0|1,0,0]=3 8714 B10R0.60 CCC(O)CNCC(C)(C)C 2230a_100000743828_100011218378 [0,2,0,0,0,0|2,0,0]=4 8715 B10R0.60 CCC(O)CNCC(C)(C)C 270004a_100011218483_100011204126 [0,2,0,0,0,0|2,0,0]=4 8716 B10R0.60 CCC(O)CNCC(C)(C)F 2230a_100020643315_100011218378 [0,2,0,0,0,0|2,0,0]=4 8717 B10R0.60 CCC(O)CNCC(C)(C)O 2230a_100000751335_100011218378 [0,2,0,0,0,0|1,0,0]=3 8718 B10R0.60 CCC(O)COCC(C)(C)F 34a_100000716592_100011218378 [0,2,0,0,0,0|2,0,0]=4 8719 B10R0.60 CCC(O)COCC(C)(F)F 34a_100000068830_100011218378 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.60 CCC(O)CSCC(C)(C)C 62a_100011218378_100011219605 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.60 CCC(O)CSCC(C)(C)C 62a_100011219605_100011218378 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.60 CCC(O)CSCC(C)(C)F 62a_100011218378_100011997219 [0,2,0,0,0,0|2,0,0]=4 8723 B10R0.60 CCC(O)CSCC(C)(C)F 62a_100011997219_100011218378 [0,2,0,0,0,0|2,0,0]=4 8724 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100000764493_100011218378 [0,2,0,0,0,0|1,0,0]=3 8725 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100011218378_100000764493 [0,2,0,0,0,0|1,0,0]=3 8726 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [0,2,0,0,0,0|1,0,0]=3 8727 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [0,2,0,0,0,0|1,0,0]=3 8728 B10R0.60 CC[C@H](C)CNCC(C)(C)C 2230a_100000743828_100009816398 [0,2,0,0,0,0|2,0,0]=4 8729 B10R0.60 CC[C@H](C)CNCC(C)(C)F 2230a_100020643315_100009816398 [0,2,0,0,0,0|2,0,0]=4 8730 B10R0.60 CC[C@H](C)CNCC(C)(C)O 2230a_100000751335_100009816398 [0,2,0,0,0,0|1,0,0]=3 8731 B10R0.60 CC[C@H](C)COCC(C)(C)F 34a_100000716592_100009816398 [0,2,0,0,0,0|2,0,0]=4 8732 B10R0.60 CC[C@H](C)COCC(C)(C)O 7a_100009816381_100000764493 [0,2,0,0,0,0|1,0,0]=3 8733 B10R0.60 CC[C@H](C)COCC(C)(F)F 34a_100000068830_100009816398 [0,2,0,0,0,0|2,0,0]=4 8734 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100009816398_100011219605 [0,2,0,0,0,0|2,0,0]=4 8735 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100011219605_100009816398 [0,2,0,0,0,0|2,0,0]=4 8736 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100009816398_100011997219 [0,2,0,0,0,0|2,0,0]=4 8737 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100011997219_100009816398 [0,2,0,0,0,0|2,0,0]=4 8738 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100000764493_100009816398 [0,2,0,0,0,0|1,0,0]=3 8739 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100009816398_100000764493 [0,2,0,0,0,0|1,0,0]=3 8740 B10R0.60 COC(C)COCC(C)(C)O 34a_100000690652_100000764493 [0,2,0,0,0,0|2,0,0]=4 8741 B10R0.60 COC(C)SCCC(C)(C)O 62a_100000702414_100009879195 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.60 COC(C)SCCC(C)(C)O 62a_100009879195_100000702414 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.60 C[C@@H](CO)CNCC(C)(C)O 2230a_100000751335_100000059175 [0,2,0,0,0,0|2,0,0]=4 8744 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000059175_100000764493 [0,2,0,0,0,0|2,0,0]=4 8745 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000764493_100000059175 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.60 C[C@H](CO)NCCC(C)(C)O 2230a_100000737577_100000702414 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100000702414_100016084084 [0,2,0,0,0,0|2,0,0]=4 8748 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100016084084_100000702414 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.65 CC(O)CCNC(C)(C)CO 2230a_100000210608_100012276601 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.65 CC(O)CCOC(C)(C)CCl 7a_100000764493_100012276601 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.65 CC(O)CCSC(F)(F)CO 62a_100011217949_100012276601 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.65 CC(O)CCSC(F)(F)CO 62a_100012276601_100011217949 [0,2,0,0,0,0|2,0,0]=4 8754 B10R0.65 CC(O)CNCC(C)(C)CO 2230a_100020635058_100011218427 [0,2,0,0,0,0|2,0,0]=4 8755 B10R0.65 CC(O)CNCC(C)(C)CO 34a_100000210904_100009813988 [0,2,0,0,0,0|2,0,0]=4 8756 B10R0.65 CC(O)COCC(C)(C)CCl 7a_100011217199_100011218427 [0,2,0,0,0,0|2,0,0]=4 8757 B10R0.65 CC(O)COCC(F)(F)CN 34a_100000703232_100011218427 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.65 CC(O)CSCC(C)(C)CO 62a_100009813988_100011218427 [0,2,0,0,0,0|2,0,0]=4 8759 B10R0.65 CC(O)CSCC(C)(C)CO 62a_100011218427_100009813988 [0,2,0,0,0,0|2,0,0]=4 8760 B10R0.65 CCC(C)(C)COCC(C)C 7a_100000765029_100000210760 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.65 CCC(C)(C)COCC(C)O 7a_100000765029_100011218427 [0,2,0,0,0,0|1,0,0]=3 8762 B10R0.65 CCC(C)(C)COC[C@@H](C)O 7a_100000765029_100009817552 [0,2,0,0,0,0|1,0,0]=3 8763 B10R0.65 CCC(C)(C)NCCC(C)C 2230a_100000211385_100000210312 [0,2,0,0,0,0|2,0,0]=4 8764 B10R0.65 CCC(C)(C)NCCC(C)O 2230a_100000211385_100012276601 [0,2,0,0,0,0|1,0,0]=3 8765 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210230_100000210626 [0,2,0,0,0,0|2,0,0]=4 8766 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210254_100000210677 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.65 CCC(C)(C)OCCC(C)O 7a_100000210230_100012276601 [0,2,0,0,0,0|1,0,0]=3 8768 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000032637_100000210312 [0,2,0,0,0,0|2,0,0]=4 8769 B10R0.65 CCC(C)(C)SCCC(C)C 62a_100000210312_100000032637 [0,2,0,0,0,0|2,0,0]=4 8770 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100000032637_100012276601 [0,2,0,0,0,0|1,0,0]=3 8771 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100012276601_100000032637 [0,2,0,0,0,0|1,0,0]=3 8772 B10R0.65 CCS(=O)(=O)NCCC(C)O 270084a_200000755665_100000211323 [0,2,0,0,0,0|2,0,0]=4 8773 B10R0.65 CCS(=O)(=O)NCCC(C)O 274078a_200000755665_100000211323 [0,2,0,0,0,0|2,0,0]=4 8774 B10R0.65 CCS(=O)(=O)NCCC(C)O 40a_200000755665_100000053943 [0,2,0,0,0,0|2,0,0]=4 8775 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [0,2,0,0,0,0|2,0,0]=4 8776 B10R0.65 COC(C)(C)CNCC(C)O 2230a_100000763424_100011218427 [0,2,0,0,0,0|2,0,0]=4 8777 B10R0.65 COC(C)(C)CNCC(C)O 34a_100000210904_100000701081 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.65 COC(C)(C)CNC[C@@H](C)O 2230a_100000763424_100009817552 [0,2,0,0,0,0|2,0,0]=4 8779 B10R0.65 COC(C)(C)CSCC(C)O 62a_100000701081_100011218427 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.65 COC(C)(C)CSCC(C)O 62a_100011218427_100000701081 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.65 COC(C)(C)CSC[C@@H](C)O 62a_100000701081_100009817552 [0,2,0,0,0,0|2,0,0]=4 8782 B10R0.65 COC(C)(C)CSC[C@@H](C)O 62a_100009817552_100000701081 [0,2,0,0,0,0|2,0,0]=4 8783 B10R0.65 CSC(C)(C)CNCC(C)O 270004a_100000210904_100009845794 [0,2,0,0,0,0|2,0,0]=4 8784 B10R0.65 C[C@@H](O)CNCC(C)(C)CO 2230a_100020635058_100009817552 [0,2,0,0,0,0|2,0,0]=4 8785 B10R0.65 C[C@@H](O)COCC(C)(C)CCl 7a_100011217199_100009817552 [0,2,0,0,0,0|2,0,0]=4 8786 B10R0.65 C[C@@H](O)COCC(F)(F)CN 34a_100000703232_100009817552 [0,2,0,0,0,0|2,0,0]=4 8787 B10R0.65 C[C@@H](O)CSCC(C)(C)CO 62a_100009813988_100009817552 [0,2,0,0,0,0|2,0,0]=4 8788 B10R0.65 C[C@@H](O)CSCC(C)(C)CO 62a_100009817552_100009813988 [0,2,0,0,0,0|2,0,0]=4 8789 B10R0.77 C#CC(CC)OCCC(C)C 34a_100000758843_100000210312 [0,2,0,0,0,0|2,0,0]=4 8790 B10R0.77 C#CC(CC)OCCC(C)C 7a_100000758843_100000210626 [0,2,0,0,0,0|2,0,0]=4 8791 B10R0.77 C#CC(CC)OCCC(C)O 34a_100000758843_100012276601 [0,2,0,0,0,0|1,0,0]=3 8792 B10R0.77 C#CC(CC)OCCC(C)O 7a_100000758843_100012276601 [0,2,0,0,0,0|1,0,0]=3 8793 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [0,2,0,0,0,0|2,0,0]=4 8794 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [0,2,0,0,0,0|2,0,0]=4 8795 B10R0.77 C=CC(CC)OCCC(C)O 34a_100000766422_100012276601 [0,2,0,0,0,0|1,0,0]=3 8796 B10R0.77 C=CC(CC)OCCC(C)O 7a_100000766422_100012276601 [0,2,0,0,0,0|1,0,0]=3 8797 B10R0.77 C=C[C@@H](CO)NCCC(C)O 2230a_100016989147_100012276601 [0,2,0,0,0,0|2,0,0]=4 8798 B10R0.77 C=C[C@@H](CO)NCCC(C)O 34a_100016989147_100012276601 [0,2,0,0,0,0|2,0,0]=4 8799 B10R0.77 CC(O)CCNC(CO)CO 2230a_100000759517_100012276601 [0,2,0,0,0,0|2,0,0]=4 8800 B10R0.77 CC(O)CCOC(CCl)CCl 7a_100000737055_100012276601 [0,2,0,0,0,0|2,0,0]=4 8801 B10R0.77 CC(O)CCOC(CF)CF 34a_100000032261_100012276601 [0,2,0,0,0,0|2,0,0]=4 8802 B10R0.77 CC(O)CCOC(CF)CF 7a_100000032261_100012276601 [0,2,0,0,0,0|2,0,0]=4 8803 B10R0.77 CC(O)CCOC(CN)CN 34a_100000031598_100012276601 [0,2,0,0,0,0|2,0,0]=4 8804 B10R0.77 CC(O)CCO[C@@H](CF)CCl 34a_100015614560_100012276601 [0,2,0,0,0,0|2,0,0]=4 8805 B10R0.77 CC(O)CCO[C@@H](CF)CCl 7a_100015614560_100012276601 [0,2,0,0,0,0|2,0,0]=4 8806 B10R0.77 CCC(CC)CNCC(C)C 2230a_100000210953_100011215472 [0,2,0,0,0,0|2,0,0]=4 8807 B10R0.77 CCC(CC)CNCC(C)C 2230a_100102946423_100000210760 [0,2,0,0,0,0|2,0,0]=4 8808 B10R0.77 CCC(CC)CNCC(C)C 269862a_100000210953_100000211137 [0,2,0,0,0,0|2,0,0]=4 8809 B10R0.77 CCC(CC)CNCC(C)C 270004a_100000210953_100000211137 [0,2,0,0,0,0|2,0,0]=4 8810 B10R0.77 CCC(CC)CNCC(C)C 270004a_100102946423_100000210432 [0,2,0,0,0,0|2,0,0]=4 8811 B10R0.77 CCC(CC)CNCC(C)C 34a_100000210953_100011215472 [0,2,0,0,0,0|2,0,0]=4 8812 B10R0.77 CCC(CC)CNCC(C)O 2230a_100000210904_100011215472 [0,2,0,0,0,0|1,0,0]=3 8813 B10R0.77 CCC(CC)CNCC(C)O 2230a_100102946423_100011218427 [0,2,0,0,0,0|1,0,0]=3 8814 B10R0.77 CCC(CC)CNCC(C)O 269862a_100000210904_100000211137 [0,2,0,0,0,0|1,0,0]=3 8815 B10R0.77 CCC(CC)CNCC(C)O 270004a_100000210904_100000211137 [0,2,0,0,0,0|1,0,0]=3 8816 B10R0.77 CCC(CC)CNCC(C)O 34a_100000210904_100011215472 [0,2,0,0,0,0|1,0,0]=3 8817 B10R0.77 CCC(CC)CNC[C@@H](C)O 2230a_100102946423_100009817552 [0,2,0,0,0,0|1,0,0]=3 8818 B10R0.77 CCC(CC)COCC(C)Br 34a_100012180447_100011215472 [0,2,0,0,0,0|2,0,0]=4 8819 B10R0.77 CCC(CC)COCC(C)C 34a_100000210257_100011215472 [0,2,0,0,0,0|2,0,0]=4 8820 B10R0.77 CCC(CC)COCC(C)C 7a_100000703878_100000210760 [0,2,0,0,0,0|2,0,0]=4 8821 B10R0.77 CCC(CC)COCC(C)F 34a_100015925927_100011215472 [0,2,0,0,0,0|2,0,0]=4 8822 B10R0.77 CCC(CC)COCC(C)O 7a_100000703878_100011218427 [0,2,0,0,0,0|1,0,0]=3 8823 B10R0.77 CCC(CC)COC[C@@H](C)Cl 34a_100016084084_100011215472 [0,2,0,0,0,0|2,0,0]=4 8824 B10R0.77 CCC(CC)COC[C@@H](C)N 34a_100000737577_100011215472 [0,2,0,0,0,0|2,0,0]=4 8825 B10R0.77 CCC(CC)COC[C@@H](C)O 7a_100000703878_100009817552 [0,2,0,0,0,0|1,0,0]=3 8826 B10R0.77 CCC(CC)CSCC(C)C 62a_100000210624_100011215472 [0,2,0,0,0,0|2,0,0]=4 8827 B10R0.77 CCC(CC)CSCC(C)C 62a_100011215472_100000210760 [0,2,0,0,0,0|2,0,0]=4 8828 B10R0.77 CCC(CC)CSCC(C)O 62a_100011215472_100011218427 [0,2,0,0,0,0|1,0,0]=3 8829 B10R0.77 CCC(CC)CSCC(C)O 62a_100011218427_100011215472 [0,2,0,0,0,0|1,0,0]=3 8830 B10R0.77 CCC(CC)CSC[C@@H](C)O 62a_100009817552_100011215472 [0,2,0,0,0,0|1,0,0]=3 8831 B10R0.77 CCC(CC)CSC[C@@H](C)O 62a_100011215472_100009817552 [0,2,0,0,0,0|1,0,0]=3 8832 B10R0.77 CCC(CC)NCCC(C)C 2230a_100000199018_100000210312 [0,2,0,0,0,0|2,0,0]=4 8833 B10R0.77 CCC(CC)NCCC(C)C 269862a_100000199018_100000185833 [0,2,0,0,0,0|2,0,0]=4 8834 B10R0.77 CCC(CC)NCCC(C)C 270004a_100000210545_100000210860 [0,2,0,0,0,0|2,0,0]=4 8835 B10R0.77 CCC(CC)NCCC(C)O 2230a_100000199018_100012276601 [0,2,0,0,0,0|1,0,0]=3 8836 B10R0.77 CCC(CC)NCCC(C)O 270004a_200000755665_100000210860 [0,2,0,0,0,0|1,0,0]=3 8837 B10R0.77 CCC(CC)OCCC(C)C 7a_100000210254_100000210505 [0,2,0,0,0,0|2,0,0]=4 8838 B10R0.77 CCC(CC)OCCC(C)C 7a_100000688536_100000210626 [0,2,0,0,0,0|2,0,0]=4 8839 B10R0.77 CCC(CC)OCCC(C)O 7a_100000688536_100012276601 [0,2,0,0,0,0|1,0,0]=3 8840 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210312_100000210505 [0,2,0,0,0,0|2,0,0]=4 8841 B10R0.77 CCC(CC)SCCC(C)C 62a_100000210505_100000210312 [0,2,0,0,0,0|2,0,0]=4 8842 B10R0.77 CCC(CC)SCCC(C)O 62a_100000210505_100012276601 [0,2,0,0,0,0|1,0,0]=3 8843 B10R0.77 CCC(CC)SCCC(C)O 62a_100012276601_100000210505 [0,2,0,0,0,0|1,0,0]=3 8844 B10R0.77 CCC(CNCC(C)C)OC 270004a_100000731041_100000210432 [0,2,0,0,0,0|2,0,0]=4 8845 B10R0.77 CCC(COCC(C)C)OC 34a_100011934954_100000210624 [0,2,0,0,0,0|2,0,0]=4 8846 B10R0.77 CCC(COCC(C)C)OC 7a_100011934954_100000210760 [0,2,0,0,0,0|2,0,0]=4 8847 B10R0.77 CCC(COCC(C)O)OC 34a_100011934954_100011218427 [0,2,0,0,0,0|1,0,0]=3 8848 B10R0.77 CCC(COCC(C)O)OC 7a_100011934954_100011218427 [0,2,0,0,0,0|1,0,0]=3 8849 B10R0.77 CCC(COC[C@@H](C)O)OC 34a_100011934954_100009817552 [0,2,0,0,0,0|1,0,0]=3 8850 B10R0.77 CCC(COC[C@@H](C)O)OC 7a_100011934954_100009817552 [0,2,0,0,0,0|1,0,0]=3 8851 B10R0.77 CCN(CC)CCCC(C)C 2230a_100000724800_100011214892 [0,2,0,0,0,0|2,0,0]=4 8852 B10R0.77 CCN(CC)CCCC(C)C 269956a_100000042499_100011214892 [0,2,0,0,0,0|2,0,0]=4 8853 B10R0.77 CCN(CC)CCCC(C)C 269982a_100000724800_100011214892 [0,2,0,0,0,0|2,0,0]=4 8854 B10R0.77 CCN(CC)CCCC(C)O 2230a_100000724800_200000718107 [0,2,0,0,0,0|1,0,0]=3 8855 B10R0.77 CCN(CC)CCCC(C)O 269956a_100000042499_200000718107 [0,2,0,0,0,0|1,0,0]=3 8856 B10R0.77 CCN(CC)CCCC(C)O 269982a_100000724800_200000718107 [0,2,0,0,0,0|1,0,0]=3 8857 B10R0.77 CCN(CC)COCC(C)O 7a_200015374951_100011218427 [0,2,0,0,0,0|2,0,0]=4 8858 B10R0.77 CCN(CC)COC[C@@H](C)O 7a_200015374951_100009817552 [0,2,0,0,0,0|2,0,0]=4 8859 B10R0.77 CC[C@@H](CO)NCCC(C)C 2230a_100000709445_100000210312 [0,2,0,0,0,0|2,0,0]=4 8860 B10R0.77 CC[C@@H](CO)NCCC(C)C 269862a_100000709445_100000185833 [0,2,0,0,0,0|2,0,0]=4 8861 B10R0.77 CC[C@@H](CO)NCCC(C)O 2230a_100000709445_100012276601 [0,2,0,0,0,0|1,0,0]=3 8862 B10R0.77 COC(CNCC(C)O)OC 2230a_100000210904_100000751394 [0,2,0,0,0,0|2,0,0]=4 8863 B10R0.77 COC(CNCC(C)O)OC 270004a_100000210904_100000752162 [0,2,0,0,0,0|2,0,0]=4 8864 B10R0.77 COC(CNCC(C)O)OC 34a_100000210904_100000211822 [0,2,0,0,0,0|2,0,0]=4 8865 B10R0.77 COC(COCC(C)O)OC 34a_100011216393_100011218427 [0,2,0,0,0,0|2,0,0]=4 8866 B10R0.77 COC(COC[C@@H](C)O)OC 34a_100011216393_100009817552 [0,2,0,0,0,0|2,0,0]=4 8867 B10R0.77 COC(CSCC(C)O)OC 62a_100000751394_100011218427 [0,2,0,0,0,0|2,0,0]=4 8868 B10R0.77 COC(CSCC(C)O)OC 62a_100011218427_100000751394 [0,2,0,0,0,0|2,0,0]=4 8869 B10R0.77 COC(CSC[C@@H](C)O)OC 62a_100000751394_100009817552 [0,2,0,0,0,0|2,0,0]=4 8870 B10R0.77 COC(CSC[C@@H](C)O)OC 62a_100009817552_100000751394 [0,2,0,0,0,0|2,0,0]=4 8871 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|1,0,1]=4 8872 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,2,0,0,0,0|1,0,1]=4 8873 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,2,0,0,0,0|1,0,1]=4 8874 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,2,0,0,0,0|1,0,1]=4 8875 B10R0.82 CCC(C)CNC(C)C(C)C 2230a_100000211541_100000748023 [0,2,0,0,0,0|2,0,0]=4 8876 B10R0.82 CCC(C)CNC(C)C(C)C 270004a_100000211541_100000243153 [0,2,0,0,0,0|2,0,0]=4 8877 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [0,2,0,0,0,0|2,0,0]=4 8878 B10R0.82 CCC(C)NCC(O)C(C)C 2230a_100000759067_100000758301 [0,2,0,0,0,0|2,0,0]=4 8879 B10R0.82 CCC(C)NCC(O)C(C)C 34a_100000759067_100011215416 [0,2,0,0,0,0|2,0,0]=4 8880 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [0,2,0,0,0,0|2,0,0]=4 8881 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|1,0,1]=4 8882 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|1,0,1]=4 8883 B10R0.82 CCC(O)CNC(C)C(C)C 2230a_100000211541_100011218378 [0,2,0,0,0,0|2,0,0]=4 8884 B10R0.82 CCC(O)COC(C)C(C)C 7a_100000748068_100011218378 [0,2,0,0,0,0|2,0,0]=4 8885 B10R0.82 CC[C@H](C)CNC(C)C(C)C 2230a_100000211541_100009816398 [0,2,0,0,0,0|2,0,0]=4 8886 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [0,2,0,0,0,0|2,0,0]=4 8887 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|0,0,2]=4 8888 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,2,0,0,0,0|1,0,1]=4 8889 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|1,0,1]=4 8890 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|1,0,1]=4 8891 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|1,0,1]=4 8892 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|1,0,1]=4 8893 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|1,0,1]=4 8894 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|1,0,1]=4 8895 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|1,0,1]=4 8896 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|1,0,1]=4 8897 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|0,0,2]=4 8898 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|0,0,2]=4 8899 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,2,0,0,0,0|1,0,1]=4 8900 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,2,0,0,0,0|1,0,1]=4 8901 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 2230a_100000759067_100009817552 [0,2,0,0,0,0|1,0,0]=3 8902 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 34a_100000759067_100009817552 [0,2,0,0,0,0|1,0,0]=3 8903 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|1,0,1]=4 8904 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|1,0,1]=4 8905 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|1,0,1]=4 8906 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,2,0,0,0,0|1,0,1]=4 8907 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|0,0,1]=3 8908 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|0,0,1]=3 8909 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [0,2,0,0,0,0|2,0,0]=4 8910 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [0,2,0,0,0,0|2,0,0]=4 8911 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,2,0,0,0,0|1,0,1]=4 8912 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,2,0,0,0,0|1,0,1]=4 8913 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,2,0,0,0,0|1,0,1]=4 8914 B10R0.98 CC(C)CCNC(C)C(C)C 2230a_100000211541_100000210312 [0,2,0,0,0,0|2,0,0]=4 8915 B10R0.98 CC(C)CCNC(C)C(C)C 269862a_100000211541_100000185833 [0,2,0,0,0,0|2,0,0]=4 8916 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,2,0,0,0,0|2,0,0]=4 8917 B10R0.98 CC(C)CNCC(O)C(C)C 2230a_100000759067_100000210760 [0,2,0,0,0,0|2,0,0]=4 8918 B10R0.98 CC(C)CNCC(O)C(C)C 270004a_100000759067_100000210432 [0,2,0,0,0,0|2,0,0]=4 8919 B10R0.98 CC(C)CNCC(O)C(C)C 34a_100000759067_100000210624 [0,2,0,0,0,0|2,0,0]=4 8920 B10R0.98 CC(C)COC[C@H](N)C(C)C 34a_100011830312_100000210624 [0,2,0,0,0,0|2,0,0]=4 8921 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,2,0,0,0,0|1,0,1]=4 8922 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,2,0,0,0,0|1,0,1]=4 8923 B10R0.98 CC(C)OCCC(N)C(C)C 34a_100161115045_100000210206 [0,2,0,0,0,0|2,0,0]=4 8924 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|1,0,1]=4 8925 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|1,0,1]=4 8926 B10R0.98 CC(C)[C@@H](N)COC[C@@H](C)O 34a_100011830312_100009817552 [0,2,0,0,0,0|1,0,0]=3 8927 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|0,0,1]=3 8928 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|0,0,1]=3 8929 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,2,0,0,0,0|1,0,1]=4 8930 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|1,0,1]=4 8931 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|1,0,1]=4 8932 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|0,0,1]=3 8933 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|0,0,1]=3 8934 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [0,2,0,0,0,0|1,0,0]=3 8935 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,2,0,0,0,0|1,0,1]=4 8936 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,2,0,0,0,0|1,0,1]=4 8937 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,2,0,0,0,0|1,0,1]=4 8938 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,2,0,0,0,0|1,0,1]=4 8939 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,2,0,0,0,0|1,0,1]=4 8940 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,2,0,0,0,0|1,0,1]=4 8941 B10R0.98 CC(O)CCNC(C)C(C)C 2230a_100000211541_100012276601 [0,2,0,0,0,0|1,0,0]=3 8942 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,2,0,0,0,0|1,0,0]=3 8943 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,2,0,0,0,0|1,0,1]=4 8944 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|1,0,1]=4 8945 B10R0.98 CC(O)CNCC(O)C(C)C 2230a_100000759067_100011218427 [0,2,0,0,0,0|1,0,0]=3 8946 B10R0.98 CC(O)CNCC(O)C(C)C 34a_100000759067_100011218427 [0,2,0,0,0,0|1,0,0]=3 8947 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,2,0,0,0,0|1,0,0]=3 8948 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,2,0,0,0,0|1,0,1]=4 8949 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,2,0,0,0,0|1,0,1]=4 8950 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|1,0,1]=4 8951 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|1,0,1]=4 8952 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|0,0,2]=4 8953 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|0,0,2]=4 8954 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|0,0,2]=4 8955 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,2,0,0,0,0|2,0,0]=4 8956 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,2,0,0,0,0|2,0,0]=4 8957 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [0,2,0,0,0,0|1,0,1]=4 8958 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [0,2,0,0,0,0|1,0,1]=4 8959 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,2,0,0,0,0|1,0,1]=4 8960 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,2,0,0,0,0|1,0,1]=4 8961 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,2,0,0,0,0|1,0,1]=4 8962 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [0,2,0,0,0,0|1,0,1]=4 8963 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [0,2,0,0,0,0|1,0,1]=4 8964 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [0,2,0,0,0,0|1,0,1]=4 8965 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [0,2,0,0,0,0|1,0,1]=4 8966 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [0,2,0,0,0,0|1,0,1]=4 8967 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [0,2,0,0,0,0|1,0,1]=4 8968 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [0,2,0,0,0,0|0,0,1]=3 8969 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [0,2,0,0,0,0|0,0,1]=3 8970 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [0,2,0,0,0,0|0,0,1]=3 8971 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [0,2,0,0,0,0|0,0,1]=3 8972 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [0,2,0,0,0,0|0,0,1]=3 8973 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [0,2,0,0,0,0|0,0,1]=3 8974 B10R0.4 C#CCCCCOCC(C)Br 34a_100012180447_100010269958 [0,2,0,0,0,0|1,0,1]=4 8975 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [0,2,0,0,0,0|1,0,1]=4 8976 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [0,2,0,0,0,0|1,0,1]=4 8977 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [0,2,0,0,0,0|1,0,1]=4 8978 B10R0.4 C#CCCCCOCC(C)F 34a_100015925927_100010269958 [0,2,0,0,0,0|1,0,1]=4 8979 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,2,0,0,0,0|0,0,1]=3 8980 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,2,0,0,0,0|0,0,1]=3 8981 B10R0.4 C#CCCCCOC[C@@H](C)Cl 34a_100016084084_100010269958 [0,2,0,0,0,0|1,0,1]=4 8982 B10R0.4 C#CCCCCOC[C@@H](C)N 34a_100000737577_100010269958 [0,2,0,0,0,0|1,0,1]=4 8983 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,2,0,0,0,0|0,0,1]=3 8984 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,2,0,0,0,0|0,0,1]=3 8985 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [0,2,0,0,0,0|1,0,1]=4 8986 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [0,2,0,0,0,0|1,0,1]=4 8987 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [0,2,0,0,0,0|0,0,1]=3 8988 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [0,2,0,0,0,0|0,0,1]=3 8989 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [0,2,0,0,0,0|0,0,1]=3 8990 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [0,2,0,0,0,0|0,0,1]=3 8991 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,2,0,0,0,0|1,0,1]=4 8992 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,2,0,0,0,0|0,0,1]=3 8993 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,2,0,0,0,0|0,0,1]=3 8994 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,2,0,0,0,0|1,0,1]=4 8995 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,2,0,0,0,0|1,0,1]=4 8996 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,2,0,0,0,0|1,0,1]=4 8997 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,2,0,0,0,0|1,0,1]=4 8998 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,2,0,0,0,0|1,0,1]=4 8999 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,2,0,0,0,0|0,0,1]=3 9000 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,2,0,0,0,0|0,0,1]=3 9001 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,2,0,0,0,0|1,0,1]=4 9002 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,2,0,0,0,0|1,0,1]=4 9003 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,2,0,0,0,0|1,0,1]=4 9004 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,2,0,0,0,0|0,0,1]=3 9005 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,2,0,0,0,0|0,0,1]=3 9006 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,2,0,0,0,0|1,0,1]=4 9007 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,2,0,0,0,0|1,0,1]=4 9008 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,2,0,0,0,0|1,0,1]=4 9009 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,2,0,0,0,0|0,0,1]=3 9010 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,2,0,0,0,0|1,0,1]=4 9011 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,2,0,0,0,0|1,0,1]=4 9012 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,2,0,0,0,0|1,0,1]=4 9013 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,2,0,0,0,0|0,0,1]=3 9014 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,2,0,0,0,0|1,0,1]=4 9015 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,2,0,0,0,0|1,0,1]=4 9016 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,2,0,0,0,0|0,0,1]=3 9017 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,2,0,0,0,0|0,0,1]=3 9018 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [0,2,0,0,0,0|1,0,1]=4 9019 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,2,0,0,0,0|1,0,1]=4 9020 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,2,0,0,0,0|1,0,1]=4 9021 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,2,0,0,0,0|1,0,1]=4 9022 B10R0.4 C#CCOCCNCC(C)O 2230a_100000210904_100010402529 [0,2,0,0,0,0|0,0,2]=4 9023 B10R0.4 C#CCOCCNCC(C)O 2230a_100000700922_100011218427 [0,2,0,0,0,0|0,0,2]=4 9024 B10R0.4 C#CCOCCNCC(C)O 34a_100000210904_100010402529 [0,2,0,0,0,0|0,0,2]=4 9025 B10R0.4 C#CCOCCNCC(C)O 34a_100000700922_100011218427 [0,2,0,0,0,0|0,0,2]=4 9026 B10R0.4 C#CCOCCNC[C@@H](C)O 2230a_100000700922_100009817552 [0,2,0,0,0,0|0,0,2]=4 9027 B10R0.4 C#CCOCCNC[C@@H](C)O 34a_100000700922_100009817552 [0,2,0,0,0,0|0,0,2]=4 9028 B10R0.4 C#CCOCCOCC(C)O 34a_100000054580_100011218427 [0,2,0,0,0,0|0,0,2]=4 9029 B10R0.4 C#CCOCCOCC(C)O 7a_100000054580_100011218427 [0,2,0,0,0,0|0,0,2]=4 9030 B10R0.4 C#CCOCCOC[C@@H](C)O 34a_100000054580_100009817552 [0,2,0,0,0,0|0,0,2]=4 9031 B10R0.4 C#CCOCCOC[C@@H](C)O 7a_100000054580_100009817552 [0,2,0,0,0,0|0,0,2]=4 9032 B10R0.4 C#CCOCCSCC(C)O 62a_100010402529_100011218427 [0,2,0,0,0,0|0,0,2]=4 9033 B10R0.4 C#CCOCCSCC(C)O 62a_100011218427_100010402529 [0,2,0,0,0,0|0,0,2]=4 9034 B10R0.4 C#CCOCCSC[C@@H](C)O 62a_100009817552_100010402529 [0,2,0,0,0,0|0,0,2]=4 9035 B10R0.4 C#CCOCCSC[C@@H](C)O 62a_100010402529_100009817552 [0,2,0,0,0,0|0,0,2]=4 9036 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [0,2,0,0,0,0|1,0,1]=4 9037 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,2,0,0,0,0|1,0,1]=4 9038 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,2,0,0,0,0|0,0,1]=3 9039 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,2,0,0,0,0|1,0,1]=4 9040 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,2,0,0,0,0|1,0,1]=4 9041 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,2,0,0,0,0|1,0,1]=4 9042 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,2,0,0,0,0|1,0,1]=4 9043 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,2,0,0,0,0|0,0,1]=3 9044 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,2,0,0,0,0|1,0,1]=4 9045 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,2,0,0,0,0|1,0,1]=4 9046 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,2,0,0,0,0|0,0,1]=3 9047 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,2,0,0,0,0|0,0,1]=3 9048 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,2,0,0,0,0|1,0,1]=4 9049 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,2,0,0,0,0|1,0,1]=4 9050 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,2,0,0,0,0|1,0,1]=4 9051 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,2,0,0,0,0|1,0,1]=4 9052 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,2,0,0,0,0|1,0,1]=4 9053 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,2,0,0,0,0|1,0,1]=4 9054 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,2,0,0,0,0|1,0,1]=4 9055 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,2,0,0,0,0|1,0,1]=4 9056 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,2,0,0,0,0|1,0,1]=4 9057 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|1,0,1]=4 9058 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|1,0,1]=4 9059 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|1,0,1]=4 9060 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,2,0,0,0,0|1,0,1]=4 9061 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,2,0,0,0,0|1,0,1]=4 9062 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,2,0,0,0,0|1,0,1]=4 9063 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,2,0,0,0,0|1,0,1]=4 9066 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|1,0,1]=4 9067 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,2,0,0,0,0|1,0,1]=4 9068 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|1,0,1]=4 9069 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|1,0,1]=4 9070 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,2,0,0,0,0|1,0,1]=4 9073 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,2,0,0,0,0|1,0,1]=4 9074 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,2,0,0,0,0|1,0,1]=4 9075 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,2,0,0,0,0|1,0,1]=4 9076 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,2,0,0,0,0|1,0,1]=4 9077 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,2,0,0,0,0|1,0,1]=4 9078 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,2,0,0,0,0|1,0,1]=4 9079 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,2,0,0,0,0|1,0,1]=4 9080 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,2,0,0,0,0|1,0,1]=4 9081 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,2,0,0,0,0|1,0,1]=4 9082 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,2,0,0,0,0|1,0,1]=4 9083 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,2,0,0,0,0|1,0,1]=4 9086 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,2,0,0,0,0|1,0,1]=4 9087 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,2,0,0,0,0|1,0,1]=4 9088 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,2,0,0,0,0|1,0,1]=4 9089 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,2,0,0,0,0|1,0,1]=4 9090 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,2,0,0,0,0|1,0,1]=4 9091 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,2,0,0,0,0|1,0,1]=4 9092 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,2,0,0,0,0|1,0,1]=4 9093 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,2,0,0,0,0|1,0,1]=4 9094 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,2,0,0,0,0|1,0,1]=4 9095 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,2,0,0,0,0|1,0,1]=4 9096 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,2,0,0,0,0|1,0,1]=4 9097 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,2,0,0,0,0|1,0,1]=4 9098 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,2,0,0,0,0|1,0,1]=4 9099 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|1,0,1]=4 9100 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|1,0,1]=4 9101 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|1,0,1]=4 9102 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|1,0,1]=4 9103 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|1,0,1]=4 9104 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|1,0,1]=4 9105 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|1,0,1]=4 9106 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|1,0,1]=4 9107 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|1,0,1]=4 9108 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|1,0,1]=4 9109 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|1,0,1]=4 9110 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|1,0,1]=4 9111 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|1,0,1]=4 9112 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|1,0,1]=4 9113 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,2,0,0,0,0|1,0,1]=4 9114 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,2,0,0,0,0|1,0,1]=4 9115 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,2,0,0,0,0|1,0,1]=4 9116 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,2,0,0,0,0|1,0,1]=4 9117 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,2,0,0,0,0|1,0,1]=4 9118 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,2,0,0,0,0|1,0,1]=4 9119 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,2,0,0,0,0|1,0,1]=4 9120 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,2,0,0,0,0|1,0,1]=4 9121 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,2,0,0,0,0|1,0,1]=4 9122 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,2,0,0,0,0|1,0,1]=4 9123 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,2,0,0,0,0|1,0,1]=4 9124 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,2,0,0,0,0|1,0,1]=4 9125 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|1,0,1]=4 9126 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,2,0,0,0,0|1,0,1]=4 9127 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,2,0,0,0,0|1,0,1]=4 9128 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,2,0,0,0,0|1,0,1]=4 9129 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,2,0,0,0,0|1,0,1]=4 9130 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,2,0,0,0,0|1,0,1]=4 9131 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,2,0,0,0,0|1,0,1]=4 9132 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,2,0,0,0,0|1,0,1]=4 9133 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,2,0,0,0,0|1,0,1]=4 9134 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,2,0,0,0,0|1,0,1]=4 9135 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,2,0,0,0,0|1,0,1]=4 9136 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,2,0,0,0,0|1,0,1]=4 9137 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,2,0,0,0,0|1,0,1]=4 9138 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,2,0,0,0,0|1,0,1]=4 9139 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,2,0,0,0,0|1,0,1]=4 9140 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|0,0,2]=4 9141 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|0,0,2]=4 9142 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|0,0,2]=4 9143 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,2,0,0,0,0|2,0,0]=4 9144 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,2,0,0,0,0|2,0,0]=4 9145 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,2,0,0,0,0|1,0,1]=4 9146 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,2,0,0,0,0|1,0,1]=4 9147 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,2,0,0,0,0|1,0,1]=4 9148 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,2,0,0,0,0|1,0,1]=4 9149 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,2,0,0,0,0|1,0,1]=4 9150 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,2,0,0,0,0|1,0,1]=4 9151 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,2,0,0,0,0|1,0,1]=4 9152 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,2,0,0,0,0|1,0,1]=4 9153 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,2,0,0,0,0|1,0,1]=4 9154 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,2,0,0,0,0|1,0,1]=4 9155 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,2,0,0,0,0|1,0,1]=4 9156 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,2,0,0,0,0|1,0,1]=4 9157 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,2,0,0,0,0|0,0,1]=3 9158 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,2,0,0,0,0|0,0,1]=3 9159 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,2,0,0,0,0|0,0,1]=3 9160 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,2,0,0,0,0|0,0,1]=3 9161 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,2,0,0,0,0|0,0,1]=3 9162 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,2,0,0,0,0|0,0,1]=3 9163 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,2,0,0,0,0|1,0,1]=4 9164 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,2,0,0,0,0|1,0,1]=4 9165 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,2,0,0,0,0|1,0,1]=4 9166 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,2,0,0,0,0|1,0,1]=4 9167 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,2,0,0,0,0|1,0,1]=4 9168 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,2,0,0,0,0|0,0,1]=3 9169 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,2,0,0,0,0|0,0,1]=3 9170 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,2,0,0,0,0|1,0,1]=4 9171 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,2,0,0,0,0|1,0,1]=4 9172 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,2,0,0,0,0|0,0,1]=3 9173 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,2,0,0,0,0|0,0,1]=3 9174 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,2,0,0,0,0|1,0,1]=4 9175 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,2,0,0,0,0|1,0,1]=4 9176 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,2,0,0,0,0|0,0,1]=3 9177 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,2,0,0,0,0|0,0,1]=3 9178 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,2,0,0,0,0|0,0,1]=3 9179 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,2,0,0,0,0|0,0,1]=3 9180 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,2,0,0,0,0|1,0,1]=4 9181 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,2,0,0,0,0|1,0,1]=4 9182 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,2,0,0,0,0|1,0,1]=4 9183 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,2,0,0,0,0|0,0,1]=3 9184 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,2,0,0,0,0|0,0,1]=3 9185 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,2,0,0,0,0|0,0,1]=3 9186 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,2,0,0,0,0|1,0,1]=4 9187 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,2,0,0,0,0|1,0,1]=4 9188 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,2,0,0,0,0|1,0,1]=4 9189 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,2,0,0,0,0|1,0,1]=4 9190 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,2,0,0,0,0|1,0,1]=4 9191 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,2,0,0,0,0|0,0,1]=3 9192 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,2,0,0,0,0|0,0,1]=3 9193 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,2,0,0,0,0|1,0,1]=4 9194 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,2,0,0,0,0|1,0,1]=4 9195 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,2,0,0,0,0|1,0,1]=4 9196 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,2,0,0,0,0|0,0,1]=3 9197 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,2,0,0,0,0|0,0,1]=3 9198 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,2,0,0,0,0|1,0,1]=4 9199 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,2,0,0,0,0|1,0,1]=4 9200 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,2,0,0,0,0|1,0,1]=4 9201 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,2,0,0,0,0|0,0,1]=3 9202 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,2,0,0,0,0|1,0,1]=4 9203 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,2,0,0,0,0|1,0,1]=4 9204 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,2,0,0,0,0|1,0,1]=4 9205 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,2,0,0,0,0|0,0,1]=3 9206 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,2,0,0,0,0|1,0,1]=4 9207 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,2,0,0,0,0|1,0,1]=4 9208 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,2,0,0,0,0|0,0,1]=3 9209 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,2,0,0,0,0|0,0,1]=3 9210 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,2,0,0,0,0|1,0,1]=4 9211 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,2,0,0,0,0|1,0,1]=4 9212 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,2,0,0,0,0|1,0,1]=4 9213 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,2,0,0,0,0|1,0,1]=4 9214 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,2,0,0,0,0|0,0,2]=4 9215 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,2,0,0,0,0|0,0,2]=4 9216 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,2,0,0,0,0|0,0,2]=4 9217 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,2,0,0,0,0|0,0,2]=4 9218 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,2,0,0,0,0|1,0,1]=4 9219 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,2,0,0,0,0|1,0,1]=4 9220 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,2,0,0,0,0|0,0,2]=4 9221 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,2,0,0,0,0|0,0,2]=4 9222 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,2,0,0,0,0|0,0,2]=4 9223 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,2,0,0,0,0|0,0,2]=4 9224 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,2,0,0,0,0|0,0,2]=4 9225 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,2,0,0,0,0|0,0,2]=4 9226 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,2,0,0,0,0|0,0,2]=4 9227 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,2,0,0,0,0|0,0,2]=4 9228 B10R0.4 CC#CCCOCCC(C)C 34a_100000750427_100000210312 [0,2,0,0,0,0|1,0,1]=4 9229 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [0,2,0,0,0,0|0,0,1]=3 9230 B10R0.4 CC#CCNCCCC(C)C 2230a_100000685387_100011214892 [0,2,0,0,0,0|1,0,1]=4 9231 B10R0.4 CC#CCNCCCC(C)C 2230a_200000737386_100000748600 [0,2,0,0,0,0|1,0,1]=4 9232 B10R0.4 CC#CCNCCCC(C)C 34a_100000685387_100011214892 [0,2,0,0,0,0|1,0,1]=4 9233 B10R0.4 CC#CCNCCCC(C)C 34a_200000737386_100000748600 [0,2,0,0,0,0|1,0,1]=4 9234 B10R0.4 CC#CCNCCCC(C)O 2230a_100000685387_200000718107 [0,2,0,0,0,0|0,0,1]=3 9235 B10R0.4 CC#CCNCCCC(C)O 34a_100000685387_200000718107 [0,2,0,0,0,0|0,0,1]=3 9236 B10R0.4 CC#CCOCCCC(C)C 34a_100000210774_100000748600 [0,2,0,0,0,0|1,0,1]=4 9237 B10R0.4 CC#CCOCCCC(C)C 34a_100000761923_100011214892 [0,2,0,0,0,0|1,0,1]=4 9238 B10R0.4 CC#CCOCCCC(C)C 7a_100000210774_100000748600 [0,2,0,0,0,0|1,0,1]=4 9239 B10R0.4 CC#CCOCCCC(C)O 34a_100000761923_200000718107 [0,2,0,0,0,0|0,0,1]=3 9240 B10R0.4 CC#CCSCCCC(C)C 62a_100000748600_100011214892 [0,2,0,0,0,0|1,0,1]=4 9241 B10R0.4 CC#CCSCCCC(C)C 62a_100011214892_100000748600 [0,2,0,0,0,0|1,0,1]=4 9242 B10R0.4 CC#CCSCCCC(C)O 62a_100000748600_200000718107 [0,2,0,0,0,0|0,0,1]=3 9243 B10R0.4 CC#CCSCCCC(C)O 62a_200000718107_100000748600 [0,2,0,0,0,0|0,0,1]=3 9244 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|0,0,2]=4 9245 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|0,0,2]=4 9246 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|0,0,2]=4 9247 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|0,0,2]=4 9248 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|0,0,2]=4 9249 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|0,0,2]=4 9250 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|0,0,2]=4 9251 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|0,0,2]=4 9252 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|0,0,2]=4 9253 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|0,0,2]=4 9254 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|0,0,2]=4 9255 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|0,0,2]=4 9256 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|0,0,2]=4 9257 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|0,0,2]=4 9258 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|0,0,2]=4 9259 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|0,0,2]=4 9260 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|0,0,2]=4 9261 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|0,0,2]=4 9262 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|0,0,2]=4 9263 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|0,0,2]=4 9264 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|0,0,2]=4 9265 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|0,0,2]=4 9266 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|0,0,2]=4 9267 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|0,0,2]=4 9268 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|0,0,2]=4 9269 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|0,0,2]=4 9270 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|0,0,2]=4 9271 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|0,0,2]=4 9272 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|0,0,2]=4 9273 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|0,0,2]=4 9274 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|0,0,2]=4 9275 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|0,0,2]=4 9276 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|0,0,2]=4 9277 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|0,0,2]=4 9278 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|0,0,2]=4 9279 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|0,0,2]=4 9280 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|0,0,2]=4 9281 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|0,0,2]=4 9282 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|0,0,2]=4 9283 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|0,0,2]=4 9284 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|0,0,2]=4 9285 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|0,0,2]=4 9286 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,2,0,0,0,0|1,0,0]=3 9287 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,2,0,0,0,0|1,0,0]=3 9288 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,2,0,0,0,0|1,0,0]=3 9289 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,2,0,0,0,0|1,0,0]=3 9290 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,2,0,0,0,0|2,0,0]=4 9291 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,2,0,0,0,0|1,0,0]=3 9292 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,2,0,0,0,0|1,0,0]=3 9293 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,2,0,0,0,0|1,0,0]=3 9294 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,2,0,0,0,0|1,0,0]=3 9295 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,2,0,0,0,0|1,0,0]=3 9296 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,2,0,0,0,0|1,0,0]=3 9297 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,2,0,0,0,0|1,0,0]=3 9298 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,2,0,0,0,0|1,0,0]=3 9299 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,2,0,0,0,0|1,0,0]=3 9300 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,2,0,0,0,0|1,0,0]=3 9301 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,2,0,0,0,0|1,0,1]=4 9302 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,2,0,0,0,0|1,0,1]=4 9303 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,2,0,0,0,0|1,0,1]=4 9304 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,2,0,0,0,0|1,0,0]=3 9305 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,2,0,0,0,0|1,0,0]=3 9306 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,2,0,0,0,0|1,0,0]=3 9307 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,2,0,0,0,0|1,0,0]=3 9308 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,2,0,0,0,0|1,0,0]=3 9309 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,2,0,0,0,0|1,0,0]=3 9310 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [0,2,0,0,0,0|1,0,1]=4 9311 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [0,2,0,0,0,0|1,0,1]=4 9312 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,2,0,0,0,0|1,0,1]=4 9313 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,2,0,0,0,0|1,0,1]=4 9314 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,2,0,0,0,0|1,0,0]=3 9315 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,2,0,0,0,0|1,0,0]=3 9316 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,2,0,0,0,0|1,0,0]=3 9317 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,2,0,0,0,0|1,0,0]=3 9318 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,2,0,0,0,0|1,0,1]=4 9319 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,2,0,0,0,0|1,0,0]=3 9320 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,2,0,0,0,0|1,0,0]=3 9321 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,2,0,0,0,0|1,0,0]=3 9322 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,2,0,0,0,0|1,0,0]=3 9323 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,2,0,0,0,0|1,0,0]=3 9324 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,2,0,0,0,0|1,0,0]=3 9325 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,2,0,0,0,0|1,0,1]=4 9326 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,2,0,0,0,0|1,0,0]=3 9327 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,2,0,0,0,0|1,0,0]=3 9328 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,2,0,0,0,0|1,0,0]=3 9329 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,2,0,0,0,0|1,0,0]=3 9330 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,2,0,0,0,0|1,0,0]=3 9331 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,2,0,0,0,0|1,0,0]=3 9332 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,2,0,0,0,0|1,0,0]=3 9333 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,2,0,0,0,0|1,0,0]=3 9334 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,2,0,0,0,0|2,0,0]=4 9335 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,2,0,0,0,0|1,0,1]=4 9336 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,2,0,0,0,0|1,0,1]=4 9337 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,2,0,0,0,0|1,0,0]=3 9338 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,2,0,0,0,0|1,0,0]=3 9339 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,2,0,0,0,0|1,0,0]=3 9340 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,2,0,0,0,0|1,0,0]=3 9341 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,2,0,0,0,0|1,0,0]=3 9342 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,2,0,0,0,0|1,0,0]=3 9343 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,2,0,0,0,0|1,0,0]=3 9344 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,2,0,0,0,0|1,0,1]=4 9345 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,2,0,0,0,0|1,0,1]=4 9346 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,2,0,0,0,0|1,0,0]=3 9347 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,2,0,0,0,0|1,0,0]=3 9348 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,2,0,0,0,0|1,0,0]=3 9349 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,2,0,0,0,0|1,0,0]=3 9350 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,2,0,0,0,0|1,0,0]=3 9351 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,2,0,0,0,0|1,0,0]=3 9352 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,2,0,0,0,0|1,0,0]=3 9353 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,2,0,0,0,0|1,0,0]=3 9354 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,2,0,0,0,0|1,0,0]=3 9355 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,2,0,0,0,0|1,0,0]=3 9356 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,2,0,0,0,0|1,0,0]=3 9357 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,2,0,0,0,0|1,0,1]=4 9358 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,2,0,0,0,0|1,0,1]=4 9359 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,2,0,0,0,0|1,0,1]=4 9360 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,2,0,0,0,0|1,0,1]=4 9361 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,2,0,0,0,0|1,0,0]=3 9362 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,2,0,0,0,0|1,0,0]=3 9363 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,2,0,0,0,0|1,0,0]=3 9364 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,2,0,0,0,0|1,0,0]=3 9365 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [0,2,0,0,0,0|1,0,1]=4 9366 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [0,2,0,0,0,0|1,0,1]=4 9367 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,2,0,0,0,0|1,0,1]=4 9368 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,2,0,0,0,0|1,0,0]=3 9369 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,2,0,0,0,0|1,0,0]=3 9370 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,2,0,0,0,0|1,0,0]=3 9372 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,2,0,0,0,0|1,0,0]=3 9373 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,2,0,0,0,0|1,0,0]=3 9374 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,2,0,0,0,0|1,0,0]=3 9375 B10R0.4 CC(C)CNCCOCCF 34a_100015185251_100011217306 [0,2,0,0,0,0|2,0,0]=4 9376 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,2,0,0,0,0|2,0,0]=4 9377 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,2,0,0,0,0|2,0,0]=4 9381 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,2,0,0,0,0|2,0,0]=4 9382 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,2,0,0,0,0|2,0,0]=4 9383 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,2,0,0,0,0|2,0,0]=4 9384 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,2,0,0,0,0|1,0,0]=3 9385 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,2,0,0,0,0|1,0,0]=3 9386 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,2,0,0,0,0|1,0,0]=3 9387 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,2,0,0,0,0|1,0,0]=3 9388 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,2,0,0,0,0|1,0,0]=3 9389 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,2,0,0,0,0|1,0,0]=3 9390 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,2,0,0,0,0|1,0,0]=3 9391 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,2,0,0,0,0|1,0,0]=3 9392 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,2,0,0,0,0|1,0,0]=3 9393 B10R0.4 CC(C)COCCCNCF 34a_100000205972_100015361967 [0,2,0,0,0,0|2,0,0]=4 9394 B10R0.4 CC(C)COCCOCCBr 34a_100000692535_100000210624 [0,2,0,0,0,0|2,0,0]=4 9395 B10R0.4 CC(C)COCCOCCBr 7a_100000692535_100000210760 [0,2,0,0,0,0|2,0,0]=4 9396 B10R0.4 CC(C)COCCOCCCl 34a_100011215305_100000210624 [0,2,0,0,0,0|2,0,0]=4 9397 B10R0.4 CC(C)COCCOCCCl 7a_100011215305_100000210760 [0,2,0,0,0,0|2,0,0]=4 9398 B10R0.4 CC(C)COCCOCCF 34a_100000703358_100011217306 [0,2,0,0,0,0|2,0,0]=4 9399 B10R0.4 CC(C)COCCOCCF 34a_200015357709_100000210624 [0,2,0,0,0,0|2,0,0]=4 9400 B10R0.4 CC(C)COCCOCCF 7a_100000703358_100011217306 [0,2,0,0,0,0|2,0,0]=4 9401 B10R0.4 CC(C)COCCOCCF 7a_200015357709_100000210760 [0,2,0,0,0,0|2,0,0]=4 9402 B10R0.4 CC(C)COCCOCCI 34a_100012149058_100000210624 [0,2,0,0,0,0|2,0,0]=4 9403 B10R0.4 CC(C)COCCOCCI 7a_100012149058_100000210760 [0,2,0,0,0,0|2,0,0]=4 9404 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [0,2,0,0,0,0|2,0,0]=4 9405 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,2,0,0,0,0|2,0,0]=4 9406 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,2,0,0,0,0|2,0,0]=4 9407 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,2,0,0,0,0|2,0,0]=4 9408 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [0,2,0,0,0,0|1,0,1]=4 9409 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [0,2,0,0,0,0|1,0,1]=4 9410 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,2,0,0,0,0|1,0,1]=4 9411 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,2,0,0,0,0|1,0,1]=4 9412 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,2,0,0,0,0|1,0,0]=3 9413 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,2,0,0,0,0|1,0,0]=3 9414 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,2,0,0,0,0|1,0,0]=3 9415 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,2,0,0,0,0|1,0,0]=3 9416 B10R0.4 CC(C)CSCCOCCF 34a_200000230437_100011217306 [0,2,0,0,0,0|2,0,0]=4 9417 B10R0.4 CC(C)CSCCOCCF 7a_200000230437_100011217306 [0,2,0,0,0,0|2,0,0]=4 9418 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,2,0,0,0,0|2,0,0]=4 9419 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,2,0,0,0,0|2,0,0]=4 9420 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [0,2,0,0,0,0|1,0,1]=4 9423 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,2,0,0,0,0|1,0,1]=4 9424 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,2,0,0,0,0|1,0,0]=3 9425 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,2,0,0,0,0|1,0,0]=3 9426 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,2,0,0,0,0|1,0,0]=3 9427 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,2,0,0,0,0|1,0,0]=3 9428 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,0]=3 9429 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,2,0,0,0,0|1,0,0]=3 9430 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,2,0,0,0,0|1,0,0]=3 9431 B10R0.4 CC(C)NCCCCOCF 34a_100011521146_100015361967 [0,2,0,0,0,0|2,0,0]=4 9432 B10R0.4 CC(C)NCCCOCCF 34a_100000182298_100011217306 [0,2,0,0,0,0|2,0,0]=4 9433 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,2,0,0,0,0|2,0,0]=4 9434 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [0,2,0,0,0,0|2,0,0]=4 9435 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,2,0,0,0,0|2,0,0]=4 9436 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,2,0,0,0,0|1,0,0]=3 9437 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,2,0,0,0,0|1,0,0]=3 9438 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,2,0,0,0,0|1,0,0]=3 9439 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,2,0,0,0,0|1,0,0]=3 9440 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,2,0,0,0,0|1,0,0]=3 9441 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,2,0,0,0,0|1,0,0]=3 9442 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,2,0,0,0,0|1,0,0]=3 9443 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,2,0,0,0,0|1,0,0]=3 9444 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,2,0,0,0,0|1,0,0]=3 9445 B10R0.4 CC(C)OCCCNCCF 2230a_100000737246_100011217306 [0,2,0,0,0,0|2,0,0]=4 9446 B10R0.4 CC(C)OCCCNCCF 34a_100000737246_100011217306 [0,2,0,0,0,0|2,0,0]=4 9447 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,2,0,0,0,0|2,0,0]=4 9448 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [0,2,0,0,0,0|2,0,0]=4 9452 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [0,2,0,0,0,0|2,0,0]=4 9453 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,2,0,0,0,0|2,0,0]=4 9454 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,2,0,0,0,0|2,0,0]=4 9455 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,2,0,0,0,0|2,0,0]=4 9456 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,2,0,0,0,0|2,0,0]=4 9457 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,2,0,0,0,0|2,0,0]=4 9458 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,2,0,0,0,0|2,0,0]=4 9459 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,2,0,0,0,0|2,0,0]=4 9460 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,2,0,0,0,0|2,0,0]=4 9461 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,2,0,0,0,0|2,0,0]=4 9462 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,2,0,0,0,0|2,0,0]=4 9463 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [0,2,0,0,0,0|2,0,0]=4 9464 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [0,2,0,0,0,0|2,0,0]=4 9465 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,2,0,0,0,0|2,0,0]=4 9466 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,2,0,0,0,0|2,0,0]=4 9467 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [0,2,0,0,0,0|2,0,0]=4 9470 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [0,2,0,0,0,0|2,0,0]=4 9471 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [0,2,0,0,0,0|2,0,0]=4 9472 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [0,2,0,0,0,0|2,0,0]=4 9473 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,2,0,0,0,0|2,0,0]=4 9474 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [0,2,0,0,0,0|2,0,0]=4 9475 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [0,2,0,0,0,0|2,0,0]=4 9476 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,2,0,0,0,0|2,0,0]=4 9477 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,2,0,0,0,0|2,0,0]=4 9478 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [0,2,0,0,0,0|1,0,1]=4 9479 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [0,2,0,0,0,0|1,0,1]=4 9480 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,2,0,0,0,0|1,0,1]=4 9481 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,2,0,0,0,0|1,0,1]=4 9482 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,2,0,0,0,0|1,0,0]=3 9483 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,2,0,0,0,0|1,0,0]=3 9484 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,2,0,0,0,0|1,0,0]=3 9485 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,2,0,0,0,0|1,0,0]=3 9486 B10R0.4 CC(C)SCCNCCCF 2230a_100000731138_100011934791 [0,2,0,0,0,0|2,0,0]=4 9487 B10R0.4 CC(C)SCCNCCCF 2230a_100015189416_100000730970 [0,2,0,0,0,0|2,0,0]=4 9488 B10R0.4 CC(C)SCCNCCCF 34a_100000731138_100011934791 [0,2,0,0,0,0|2,0,0]=4 9489 B10R0.4 CC(C)SCCNCCCF 34a_100015189416_100000730970 [0,2,0,0,0,0|2,0,0]=4 9490 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,2,0,0,0,0|2,0,0]=4 9491 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,2,0,0,0,0|2,0,0]=4 9492 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [0,2,0,0,0,0|2,0,0]=4 9493 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [0,2,0,0,0,0|2,0,0]=4 9494 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [0,2,0,0,0,0|2,0,0]=4 9495 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [0,2,0,0,0,0|2,0,0]=4 9496 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [0,2,0,0,0,0|2,0,0]=4 9497 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [0,2,0,0,0,0|2,0,0]=4 9498 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,2,0,0,0,0|2,0,0]=4 9500 B10R0.4 CC(C)SCCSCCCF 62a_100000730970_100011934791 [0,2,0,0,0,0|2,0,0]=4 9501 B10R0.4 CC(C)SCCSCCCF 62a_100011934791_100000730970 [0,2,0,0,0,0|2,0,0]=4 9502 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,2,0,0,0,0|2,0,0]=4 9503 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,2,0,0,0,0|2,0,0]=4 9504 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,2,0,0,0,0|1,0,0]=3 9505 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,2,0,0,0,0|1,0,0]=3 9506 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,2,0,0,0,0|2,0,0]=4 9507 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,2,0,0,0,0|0,0,0]=2 9508 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,2,0,0,0,0|0,0,0]=2 9509 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,2,0,0,0,0|0,0,0]=2 9510 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,2,0,0,0,0|0,0,0]=2 9511 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,2,0,0,0,0|0,0,0]=2 9512 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,2,0,0,0,0|0,0,0]=2 9513 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,2,0,0,0,0|1,0,0]=3 9514 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,2,0,0,0,0|0,0,1]=3 9515 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,2,0,0,0,0|0,0,1]=3 9516 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,2,0,0,0,0|0,0,0]=2 9517 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,2,0,0,0,0|0,0,0]=2 9518 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,2,0,0,0,0|0,0,0]=2 9519 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,2,0,0,0,0|0,0,0]=2 9520 B10R0.4 CC(O)CCCSCSC#N 62a_100000211825_200000718107 [0,2,0,0,0,0|1,0,1]=4 9521 B10R0.4 CC(O)CCCSCSC#N 62a_200000718107_100000211825 [0,2,0,0,0,0|1,0,1]=4 9522 B10R0.4 CC(O)CCNCC#CCO 2230a_200000755665_200000047223 [0,2,0,0,0,0|0,0,2]=4 9523 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,2,0,0,0,0|0,0,1]=3 9524 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,2,0,0,0,0|0,0,1]=3 9525 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,2,0,0,0,0|0,0,0]=2 9526 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,2,0,0,0,0|0,0,0]=2 9527 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,2,0,0,0,0|0,0,0]=2 9528 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,0]=2 9529 B10R0.4 CC(O)CCOCC#CCCl 34a_200000047223_100012276601 [0,2,0,0,0,0|0,0,2]=4 9530 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,2,0,0,0,0|0,0,0]=2 9531 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,2,0,0,0,0|0,0,0]=2 9532 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,2,0,0,0,0|0,0,0]=2 9533 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,2,0,0,0,0|0,0,0]=2 9534 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,2,0,0,0,0|0,0,0]=2 9535 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,2,0,0,0,0|0,0,0]=2 9536 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,0]=2 9537 B10R0.4 CC(O)CCSCC#CCO 62a_100012276601_200000047223 [0,2,0,0,0,0|0,0,2]=4 9538 B10R0.4 CC(O)CCSCC#CCO 62a_200000047223_100012276601 [0,2,0,0,0,0|0,0,2]=4 9539 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,2,0,0,0,0|0,0,1]=3 9540 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,2,0,0,0,0|0,0,1]=3 9541 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,2,0,0,0,0|0,0,1]=3 9542 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,2,0,0,0,0|0,0,1]=3 9543 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,2,0,0,0,0|0,0,0]=2 9544 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,2,0,0,0,0|0,0,0]=2 9545 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,2,0,0,0,0|0,0,0]=2 9546 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,2,0,0,0,0|0,0,0]=2 9547 B10R0.4 CC(O)CCSCCSC#N 62a_100000034367_100012276601 [0,2,0,0,0,0|1,0,1]=4 9548 B10R0.4 CC(O)CCSCCSC#N 62a_100012276601_100000034367 [0,2,0,0,0,0|1,0,1]=4 9549 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [0,2,0,0,0,0|0,0,1]=3 9550 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,2,0,0,0,0|0,0,1]=3 9551 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,2,0,0,0,0|0,0,0]=2 9552 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|0,0,0]=2 9553 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,2,0,0,0,0|0,0,0]=2 9554 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,2,0,0,0,0|0,0,0]=2 9555 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|0,0,0]=2 9556 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,0]=2 9557 B10R0.4 CC(O)CNCCCN=[N+]=[N-] 2230a_100000744732_100011218427 [0,2,0,0,0,0|2,0,0]=4 9558 B10R0.4 CC(O)CNCCOCC#N 2230a_100000210904_200000047693 [0,2,0,0,0,0|1,0,1]=4 9559 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,2,0,0,0,0|1,0,0]=3 9560 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,2,0,0,0,0|1,0,0]=3 9561 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,2,0,0,0,0|1,0,0]=3 9562 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,2,0,0,0,0|1,0,0]=3 9563 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,2,0,0,0,0|1,0,0]=3 9564 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,2,0,0,0,0|0,0,0]=2 9565 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,2,0,0,0,0|0,0,0]=2 9566 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,2,0,0,0,0|0,0,0]=2 9567 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,2,0,0,0,0|0,0,0]=2 9568 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,2,0,0,0,0|0,0,0]=2 9569 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,2,0,0,0,0|0,0,0]=2 9570 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,0]=2 9571 B10R0.4 CC(O)COCCOCCBr 34a_100000692535_100011218427 [0,2,0,0,0,0|1,0,0]=3 9572 B10R0.4 CC(O)COCCOCCBr 7a_100000692535_100011218427 [0,2,0,0,0,0|1,0,0]=3 9573 B10R0.4 CC(O)COCCOCCCl 34a_100011215305_100011218427 [0,2,0,0,0,0|1,0,0]=3 9574 B10R0.4 CC(O)COCCOCCCl 7a_100011215305_100011218427 [0,2,0,0,0,0|1,0,0]=3 9575 B10R0.4 CC(O)COCCOCCF 34a_200015357709_100011218427 [0,2,0,0,0,0|1,0,0]=3 9576 B10R0.4 CC(O)COCCOCCF 7a_200015357709_100011218427 [0,2,0,0,0,0|1,0,0]=3 9577 B10R0.4 CC(O)COCCOCCI 34a_100012149058_100011218427 [0,2,0,0,0,0|1,0,0]=3 9578 B10R0.4 CC(O)COCCOCCI 7a_100012149058_100011218427 [0,2,0,0,0,0|1,0,0]=3 9579 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,2,0,0,0,0|1,0,0]=3 9580 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [0,2,0,0,0,0|0,0,1]=3 9581 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [0,2,0,0,0,0|0,0,1]=3 9582 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,2,0,0,0,0|0,0,1]=3 9583 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,2,0,0,0,0|0,0,1]=3 9584 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,2,0,0,0,0|0,0,0]=2 9585 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,2,0,0,0,0|0,0,0]=2 9586 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,2,0,0,0,0|0,0,0]=2 9587 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,2,0,0,0,0|0,0,0]=2 9588 B10R0.4 CC(O)CSCCOCC#N 62a_100011218427_200000047693 [0,2,0,0,0,0|1,0,1]=4 9589 B10R0.4 CC(O)CSCCOCC#N 62a_200000047693_100011218427 [0,2,0,0,0,0|1,0,1]=4 9590 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,2,0,0,0,0|1,0,0]=3 9591 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,2,0,0,0,0|1,0,0]=3 9592 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,2,0,0,0,0|1,0,1]=4 9593 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,2,0,0,0,0|1,0,1]=4 9594 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [0,2,0,0,0,0|1,0,1]=4 9595 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [0,2,0,0,0,0|1,0,1]=4 9596 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,2,0,0,0,0|0,0,1]=3 9597 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,2,0,0,0,0|0,0,1]=3 9598 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [0,2,0,0,0,0|1,0,1]=4 9599 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [0,2,0,0,0,0|1,0,1]=4 9600 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [0,2,0,0,0,0|1,0,1]=4 9601 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [0,2,0,0,0,0|1,0,1]=4 9602 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [0,2,0,0,0,0|1,0,1]=4 9603 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,2,0,0,0,0|0,0,1]=3 9604 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,2,0,0,0,0|0,0,1]=3 9605 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [0,2,0,0,0,0|1,0,1]=4 9606 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [0,2,0,0,0,0|1,0,1]=4 9607 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,2,0,0,0,0|0,0,1]=3 9608 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,2,0,0,0,0|0,0,1]=3 9609 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [0,2,0,0,0,0|1,0,1]=4 9610 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [0,2,0,0,0,0|1,0,1]=4 9611 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,2,0,0,0,0|0,0,1]=3 9612 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,2,0,0,0,0|0,0,1]=3 9613 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,2,0,0,0,0|0,0,1]=3 9614 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,2,0,0,0,0|0,0,1]=3 9615 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,2,0,0,0,0|0,0,1]=3 9616 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,2,0,0,0,0|1,0,1]=4 9617 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,2,0,0,0,0|1,0,1]=4 9618 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,2,0,0,0,0|1,0,1]=4 9619 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,2,0,0,0,0|1,0,1]=4 9620 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,2,0,0,0,0|0,0,1]=3 9621 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,2,0,0,0,0|1,0,1]=4 9622 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,2,0,0,0,0|1,0,1]=4 9623 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,2,0,0,0,0|1,0,1]=4 9624 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,2,0,0,0,0|0,0,1]=3 9625 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,2,0,0,0,0|0,0,1]=3 9626 B10R0.4 CC=C=CCCOCC(C)O 34a_100011020354_100011218427 [0,2,0,0,0,0|0,0,2]=4 9627 B10R0.4 CC=C=CCCOC[C@@H](C)O 34a_100011020354_100009817552 [0,2,0,0,0,0|0,0,2]=4 9628 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,2,0,0,0,0|1,0,1]=4 9629 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,2,0,0,0,0|0,0,1]=3 9630 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,2,0,0,0,0|0,0,1]=3 9631 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,2,0,0,0,0|1,0,1]=4 9632 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,2,0,0,0,0|1,0,1]=4 9633 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,2,0,0,0,0|1,0,1]=4 9634 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,2,0,0,0,0|1,0,1]=4 9635 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,2,0,0,0,0|1,0,1]=4 9636 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,2,0,0,0,0|1,0,1]=4 9637 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,2,0,0,0,0|0,0,1]=3 9638 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,2,0,0,0,0|0,0,1]=3 9639 B10R0.4 CCC#CCCOCC(C)C 34a_100000036655_100000210624 [0,2,0,0,0,0|1,0,1]=4 9640 B10R0.4 CCC#CCCOCC(C)C 7a_100000036655_100000210760 [0,2,0,0,0,0|1,0,1]=4 9641 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [0,2,0,0,0,0|0,0,1]=3 9642 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [0,2,0,0,0,0|0,0,1]=3 9643 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [0,2,0,0,0,0|0,0,1]=3 9644 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [0,2,0,0,0,0|0,0,1]=3 9645 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [0,2,0,0,0,0|0,0,1]=3 9646 B10R0.4 CCC#CCOCCC(C)Br 34a_100009893172_100009813939 [0,2,0,0,0,0|1,0,1]=4 9647 B10R0.4 CCC#CCOCCC(C)C 34a_100000032950_100000210312 [0,2,0,0,0,0|1,0,1]=4 9648 B10R0.4 CCC#CCOCCC(C)C 34a_100000210254_100009813939 [0,2,0,0,0,0|1,0,1]=4 9649 B10R0.4 CCC#CCOCCC(C)C 7a_100000210254_100009813939 [0,2,0,0,0,0|1,0,1]=4 9650 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [0,2,0,0,0,0|0,0,1]=3 9651 B10R0.4 CCC#CCOCC[C@@H](C)N 34a_100000706166_100009813939 [0,2,0,0,0,0|1,0,1]=4 9652 B10R0.4 CCC#CCSCCC(C)C 62a_100000210312_100009813939 [0,2,0,0,0,0|1,0,1]=4 9653 B10R0.4 CCC#CCSCCC(C)C 62a_100009813939_100000210312 [0,2,0,0,0,0|1,0,1]=4 9654 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [0,2,0,0,0,0|0,0,1]=3 9655 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [0,2,0,0,0,0|0,0,1]=3 9656 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [0,2,0,0,0,0|1,0,1]=4 9657 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [0,2,0,0,0,0|1,0,1]=4 9658 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,2,0,0,0,0|0,0,1]=3 9659 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,2,0,0,0,0|0,0,1]=3 9660 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,2,0,0,0,0|0,0,1]=3 9661 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,2,0,0,0,0|0,0,1]=3 9662 B10R0.4 CCCC#CCCOC(C)C 34a_100000042726_100000210206 [0,2,0,0,0,0|1,0,1]=4 9663 B10R0.4 CCCC#CCCOC(C)C 7a_100000042726_100000210206 [0,2,0,0,0,0|1,0,1]=4 9664 B10R0.4 CCCC#CCOCC(C)C 34a_100000034806_100000210624 [0,2,0,0,0,0|1,0,1]=4 9665 B10R0.4 CCCC#CCOCC(C)C 7a_100000034806_100000210760 [0,2,0,0,0,0|1,0,1]=4 9666 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [0,2,0,0,0,0|0,0,1]=3 9667 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [0,2,0,0,0,0|0,0,1]=3 9668 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [0,2,0,0,0,0|0,0,1]=3 9669 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [0,2,0,0,0,0|0,0,1]=3 9670 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [0,2,0,0,0,0|1,0,1]=4 9671 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [0,2,0,0,0,0|1,0,1]=4 9672 B10R0.4 CCCCC#CCOC(C)C 34a_200000034558_100000210206 [0,2,0,0,0,0|1,0,1]=4 9673 B10R0.4 CCCCC#CCOC(C)C 7a_200000034558_100000210206 [0,2,0,0,0,0|1,0,1]=4 9674 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|0,0,2]=4 9675 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|0,0,2]=4 9676 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [0,2,0,0,0,0|0,0,1]=3 9677 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|0,0,2]=4 9678 B10R0.4 CCCCCC#CCN(C)C 2230a_100102631434_100009816472 [0,2,0,0,0,0|2,0,0]=4 9679 B10R0.4 CCCCCC#CCN(C)C 269982a_100102631434_100009816472 [0,2,0,0,0,0|2,0,0]=4 9680 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [0,2,0,0,0,0|1,0,1]=4 9681 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|0,0,2]=4 9682 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|0,0,2]=4 9683 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|0,0,2]=4 9684 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|0,0,2]=4 9685 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|0,0,2]=4 9686 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,2,0,0,0,0|2,0,0]=4 9687 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,2,0,0,0,0|2,0,0]=4 9688 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,2,0,0,0,0|2,0,0]=4 9689 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,2,0,0,0,0|2,0,0]=4 9690 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,2,0,0,0,0|2,0,0]=4 9691 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,2,0,0,0,0|2,0,0]=4 9692 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 9693 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 9694 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|0,0,2]=4 9695 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|0,0,2]=4 9696 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,2,0,0,0,0|1,0,0]=3 9697 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,2,0,0,0,0|1,0,0]=3 9698 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,2,0,0,0,0|1,0,0]=3 9699 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,2,0,0,0,0|1,0,0]=3 9700 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,2,0,0,0,0|1,0,0]=3 9701 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,2,0,0,0,0|1,0,0]=3 9702 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,2,0,0,0,0|1,0,0]=3 9703 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,2,0,0,0,0|1,0,0]=3 9704 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|1,0,1]=4 9705 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,2,0,0,0,0|1,0,0]=3 9706 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,2,0,0,0,0|1,0,0]=3 9707 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,2,0,0,0,0|1,0,0]=3 9708 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,2,0,0,0,0|1,0,0]=3 9709 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,2,0,0,0,0|0,0,0]=2 9710 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,2,0,0,0,0|0,0,0]=2 9711 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,2,0,0,0,0|0,0,0]=2 9712 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,2,0,0,0,0|2,0,0]=4 9713 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,2,0,0,0,0|0,0,0]=2 9715 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,2]=4 9716 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,2,0,0,0,0|1,0,0]=3 9717 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,2,0,0,0,0|1,0,0]=3 9718 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,2,0,0,0,0|1,0,0]=3 9719 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,2,0,0,0,0|1,0,0]=3 9720 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,2,0,0,0,0|1,0,0]=3 9721 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|0,0,0]=2 9722 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|0,0,0]=2 9723 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,2,0,0,0,0|1,0,0]=3 9727 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,2,0,0,0,0|1,0,0]=3 9728 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|0,0,0]=2 9729 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|0,0,0]=2 9730 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,2,0,0,0,0|1,0,0]=3 9731 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,2,0,0,0,0|1,0,0]=3 9732 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,2,0,0,0,0|0,0,0]=2 9733 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,2,0,0,0,0|0,0,0]=2 9734 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,2,0,0,0,0|2,0,0]=4 9735 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,2,0,0,0,0|2,0,0]=4 9736 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,2,0,0,0,0|0,0,0]=2 9737 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,2,0,0,0,0|0,0,0]=2 9738 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,2,0,0,0,0|1,0,1]=4 9739 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,2,0,0,0,0|1,0,1]=4 9740 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,2,0,0,0,0|1,0,0]=3 9741 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,2,0,0,0,0|1,0,0]=3 9742 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,2,0,0,0,0|0,0,0]=2 9743 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,2,0,0,0,0|0,0,0]=2 9744 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,2,0,0,0,0|1,0,0]=3 9745 B10R0.4 CCCCCNN=CC(C)C 4a_100000694160_100000210432 [0,2,0,0,0,0|1,0,1]=4 9746 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|1,0,1]=4 9747 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|1,0,1]=4 9748 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|1,0,1]=4 9749 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|1,0,1]=4 9750 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|0,0,2]=4 9751 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|0,0,2]=4 9752 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|0,0,2]=4 9753 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,2,0,0,0,0|1,0,0]=3 9754 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,2,0,0,0,0|1,0,0]=3 9755 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,2,0,0,0,0|1,0,0]=3 9756 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,2,0,0,0,0|1,0,0]=3 9757 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,2,0,0,0,0|1,0,0]=3 9758 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|0,0,0]=2 9759 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|0,0,0]=2 9760 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,2,0,0,0,0|2,0,0]=4 9761 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,2,0,0,0,0|2,0,0]=4 9762 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,0]=3 9763 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|0,0,2]=4 9764 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,2,0,0,0,0|1,0,0]=3 9765 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,2,0,0,0,0|1,0,1]=4 9766 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,2,0,0,0,0|1,0,1]=4 9767 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|0,0,2]=4 9768 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|0,0,2]=4 9769 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,2,0,0,0,0|1,0,0]=3 9770 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,2,0,0,0,0|1,0,0]=3 9771 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,2,0,0,0,0|0,0,0]=2 9772 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,2,0,0,0,0|0,0,0]=2 9773 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,2,0,0,0,0|2,0,0]=4 9774 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|0,0,2]=4 9775 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|0,0,2]=4 9776 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,2,0,0,0,0|1,0,0]=3 9777 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,2,0,0,0,0|1,0,0]=3 9778 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,2,0,0,0,0|1,0,1]=4 9779 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,2,0,0,0,0|1,0,1]=4 9780 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|0,0,2]=4 9781 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,2,0,0,0,0|1,0,0]=3 9782 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,2,0,0,0,0|1,0,0]=3 9783 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,2,0,0,0,0|1,0,0]=3 9784 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,2,0,0,0,0|1,0,0]=3 9785 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,2,0,0,0,0|0,0,0]=2 9786 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,2,0,0,0,0|0,0,0]=2 9787 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,2,0,0,0,0|2,0,0]=4 9788 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,2,0,0,0,0|1,0,1]=4 9789 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|0,0,2]=4 9790 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|0,0,2]=4 9791 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|0,0,2]=4 9792 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|0,0,2]=4 9793 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,2,0,0,0,0|1,0,0]=3 9794 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,2,0,0,0,0|1,0,0]=3 9795 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,2,0,0,0,0|1,0,0]=3 9796 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,2,0,0,0,0|1,0,0]=3 9797 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,2,0,0,0,0|1,0,0]=3 9798 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,2,0,0,0,0|1,0,0]=3 9799 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,2,0,0,0,0|1,0,0]=3 9800 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,2,0,0,0,0|1,0,0]=3 9801 B10R0.4 CCCCNN=CCC(C)C 4a_100025702795_100000185833 [0,2,0,0,0,0|1,0,1]=4 9802 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|1,0,1]=4 9803 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|1,0,1]=4 9804 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|0,0,2]=4 9805 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|0,0,2]=4 9806 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|0,0,2]=4 9807 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|0,0,2]=4 9808 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,2,0,0,0,0|1,0,0]=3 9809 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,2,0,0,0,0|1,0,0]=3 9810 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,2,0,0,0,0|1,0,0]=3 9811 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,2,0,0,0,0|1,0,0]=3 9812 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|0,0,0]=2 9813 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|0,0,0]=2 9814 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,2,0,0,0,0|2,0,0]=4 9815 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|0,0,2]=4 9816 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|0,0,2]=4 9817 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,2,0,0,0,0|1,0,0]=3 9818 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,2,0,0,0,0|1,0,0]=3 9819 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,2,0,0,0,0|1,0,0]=3 9820 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|0,0,2]=4 9821 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|0,0,2]=4 9822 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,2,0,0,0,0|1,0,0]=3 9823 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,2,0,0,0,0|1,0,0]=3 9824 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,2,0,0,0,0|1,0,0]=3 9825 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,2,0,0,0,0|1,0,0]=3 9826 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,2,0,0,0,0|1,0,0]=3 9827 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,2,0,0,0,0|1,0,0]=3 9828 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,2,0,0,0,0|1,0,0]=3 9829 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,2,0,0,0,0|1,0,0]=3 9830 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,2,0,0,0,0|1,0,0]=3 9831 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,2,0,0,0,0|1,0,0]=3 9832 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,2,0,0,0,0|1,0,0]=3 9833 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,2,0,0,0,0|1,0,0]=3 9834 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,2,0,0,0,0|1,0,0]=3 9835 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|1,0,1]=4 9836 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,2,0,0,0,0|1,0,0]=3 9837 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,2,0,0,0,0|1,0,0]=3 9838 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,2,0,0,0,0|0,0,0]=2 9839 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,2,0,0,0,0|0,0,0]=2 9840 B10R0.4 CCCCOCNCC(F)F 34a_100000765723_100011995733 [0,2,0,0,0,0|2,0,0]=4 9841 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|0,0,2]=4 9842 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,2,0,0,0,0|1,0,0]=3 9843 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,2,0,0,0,0|1,0,0]=3 9844 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,2,0,0,0,0|1,0,0]=3 9845 B10R0.4 CCCCOCOCC(F)F 34a_100000743014_100011995733 [0,2,0,0,0,0|2,0,0]=4 9846 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,2,0,0,0,0|1,0,0]=3 9847 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,2,0,0,0,0|1,0,0]=3 9848 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,2,0,0,0,0|1,0,0]=3 9849 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,2,0,0,0,0|1,0,0]=3 9850 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,2,0,0,0,0|0,0,0]=2 9851 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,2,0,0,0,0|0,0,0]=2 9852 B10R0.4 CCCCOCSCC(F)F 62a_100011934356_100011995733 [0,2,0,0,0,0|2,0,0]=4 9853 B10R0.4 CCCCOCSCC(F)F 62a_100011995733_100011934356 [0,2,0,0,0,0|2,0,0]=4 9854 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,2,0,0,0,0|0,0,0]=2 9855 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,2,0,0,0,0|0,0,0]=2 9856 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,2,0,0,0,0|1,0,1]=4 9857 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,2,0,0,0,0|1,0,1]=4 9858 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|0,0,2]=4 9859 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|0,0,2]=4 9860 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,2,0,0,0,0|1,0,0]=3 9861 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,2,0,0,0,0|1,0,0]=3 9862 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,2,0,0,0,0|0,0,0]=2 9863 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,2,0,0,0,0|0,0,0]=2 9864 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,2,0,0,0,0|2,0,0]=4 9865 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|0,0,2]=4 9866 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|0,0,2]=4 9867 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|0,0,2]=4 9868 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|0,0,2]=4 9869 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|0,0,2]=4 9870 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|0,0,2]=4 9871 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,2,0,0,0,0|1,0,0]=3 9872 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|0,0,2]=4 9873 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|0,0,2]=4 9874 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,2,0,0,0,0|1,0,0]=3 9875 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,2,0,0,0,0|1,0,0]=3 9876 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,2,0,0,0,0|1,0,0]=3 9877 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,2,0,0,0,0|1,0,0]=3 9878 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,2,0,0,0,0|1,0,0]=3 9879 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,2,0,0,0,0|1,0,0]=3 9880 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|0,0,2]=4 9881 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,2,0,0,0,0|1,0,0]=3 9882 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,2,0,0,0,0|1,0,0]=3 9883 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|1,0,1]=4 9884 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,2,0,0,0,0|2,0,0]=4 9885 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|0,0,2]=4 9886 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,2,0,0,0,0|1,0,0]=3 9887 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,2,0,0,0,0|1,0,0]=3 9888 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,2,0,0,0,0|1,0,0]=3 9889 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|0,0,2]=4 9890 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|0,0,2]=4 9891 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|0,0,2]=4 9892 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|0,0,2]=4 9893 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,2,0,0,0,0|1,0,0]=3 9894 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,2,0,0,0,0|1,0,0]=3 9895 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,2,0,0,0,0|1,0,0]=3 9896 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|0,0,2]=4 9897 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,0,0,0,0|0,1,1]=4 9898 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|0,0,2]=4 9899 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|1,0,1]=4 9900 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,2,0,0,0,0|1,0,0]=3 9901 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,2,0,0,0,0|1,0,0]=3 9902 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,2,0,0,0,0|1,0,0]=3 9903 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,2,0,0,0,0|1,0,0]=3 9904 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,2,0,0,0,0|1,0,0]=3 9905 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,2,0,0,0,0|1,0,0]=3 9906 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,2,0,0,0,0|0,0,0]=2 9907 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,2,0,0,0,0|0,0,0]=2 9908 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,2,0,0,0,0|0,0,0]=2 9909 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,2,0,0,0,0|0,0,0]=2 9910 B10R0.4 CCCOCCNCC(F)F 2230a_100161115042_100011934356 [0,2,0,0,0,0|2,0,0]=4 9911 B10R0.4 CCCOCCNCC(F)F 34a_100000765723_100011215938 [0,2,0,0,0,0|2,0,0]=4 9912 B10R0.4 CCCOCCNCC(F)F 34a_100161115042_100011934356 [0,2,0,0,0,0|2,0,0]=4 9913 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,2,0,0,0,0|0,0,0]=2 9914 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,2,0,0,0,0|0,0,0]=2 9915 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|0,0,2]=4 9916 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,2,0,0,0,0|1,0,0]=3 9917 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,2,0,0,0,0|1,0,0]=3 9918 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,2,0,0,0,0|1,0,0]=3 9919 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,2,0,0,0,0|1,0,0]=3 9920 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,2,0,0,0,0|1,0,0]=3 9921 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,2,0,0,0,0|1,0,0]=3 9922 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,2,0,0,0,0|1,0,0]=3 9923 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,2,0,0,0,0|0,0,0]=2 9924 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,2,0,0,0,0|0,0,0]=2 9925 B10R0.4 CCCOCCOCC(F)F 34a_100000210258_200012177212 [0,2,0,0,0,0|2,0,0]=4 9926 B10R0.4 CCCOCCOCC(F)F 34a_100000704375_100000210303 [0,2,0,0,0,0|2,0,0]=4 9927 B10R0.4 CCCOCCOCC(F)F 34a_100000743014_100011215938 [0,2,0,0,0,0|2,0,0]=4 9928 B10R0.4 CCCOCCOCC(F)F 34a_100000752267_100011934356 [0,2,0,0,0,0|2,0,0]=4 9929 B10R0.4 CCCOCCOCC(F)F 7a_100000704375_100000210303 [0,2,0,0,0,0|2,0,0]=4 9930 B10R0.4 CCCOCCOCC(F)F 7a_100000752267_100011934356 [0,2,0,0,0,0|2,0,0]=4 9931 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,2,0,0,0,0|1,0,0]=3 9932 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,2,0,0,0,0|1,0,0]=3 9933 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,2,0,0,0,0|0,0,0]=2 9934 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,2,0,0,0,0|0,0,0]=2 9935 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,2,0,0,0,0|1,0,0]=3 9936 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,2,0,0,0,0|1,0,0]=3 9937 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,2,0,0,0,0|1,0,0]=3 9938 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,2,0,0,0,0|1,0,0]=3 9939 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,2,0,0,0,0|0,0,0]=2 9940 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,2,0,0,0,0|0,0,0]=2 9941 B10R0.4 CCCOCCSCC(F)F 62a_100011215938_100011934356 [0,2,0,0,0,0|2,0,0]=4 9942 B10R0.4 CCCOCCSCC(F)F 62a_100011934356_100011215938 [0,2,0,0,0,0|2,0,0]=4 9943 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,2,0,0,0,0|0,0,0]=2 9944 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,2,0,0,0,0|0,0,0]=2 9945 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,2,0,0,0,0|2,0,0]=4 9946 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,2,0,0,0,0|2,0,0]=4 9947 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|0,0,2]=4 9948 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|0,0,2]=4 9949 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,2,0,0,0,0|1,0,0]=3 9950 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,2,0,0,0,0|1,0,0]=3 9951 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,2,0,0,0,0|2,0,0]=4 9952 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|0,0,2]=4 9953 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|0,0,2]=4 9954 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,0,0,0,0|0,1,1]=4 9955 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,0,0,0,0|0,1,1]=4 9956 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|0,0,2]=4 9957 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|0,0,2]=4 9958 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [0,2,0,0,0,0|1,0,0]=3 9959 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [0,2,0,0,0,0|1,0,0]=3 9960 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,2,0,0,0,0|0,0,0]=2 9961 B10R0.4 CCCSCCNCC(F)F 2230a_100020603323_100011934356 [0,2,0,0,0,0|2,0,0]=4 9962 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,2,0,0,0,0|0,0,0]=2 9963 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,2,0,0,0,0|1,0,0]=3 9964 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,2,0,0,0,0|1,0,0]=3 9965 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,2,0,0,0,0|0,0,0]=2 9966 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,2,0,0,0,0|0,0,0]=2 9967 B10R0.4 CCCSCCOCC(F)F 34a_200000230433_100011934356 [0,2,0,0,0,0|2,0,0]=4 9968 B10R0.4 CCCSCCOCC(F)F 62a_100000210303_200012177212 [0,2,0,0,0,0|2,0,0]=4 9969 B10R0.4 CCCSCCOCC(F)F 62a_200012177212_100000210303 [0,2,0,0,0,0|2,0,0]=4 9970 B10R0.4 CCCSCCOCC(F)F 7a_200000230433_100011934356 [0,2,0,0,0,0|2,0,0]=4 9971 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,2,0,0,0,0|0,0,0]=2 9972 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,2,0,0,0,0|0,0,0]=2 9973 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,2,0,0,0,0|2,0,0]=4 9974 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,2,0,0,0,0|1,0,0]=3 9975 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,2,0,0,0,0|1,0,0]=3 9976 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,2,0,0,0,0|1,0,0]=3 9977 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|0,0,2]=4 9978 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|0,0,2]=4 9979 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|0,0,2]=4 9980 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,2,0,0,0,0|1,0,0]=3 9981 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,2,0,0,0,0|1,0,0]=3 9982 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,2,0,0,0,0|2,0,0]=4 9983 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,2,0,0,0,0|1,0,0]=3 9984 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,2,0,0,0,0|1,0,0]=3 9985 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,2,0,0,0,0|1,0,0]=3 9986 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,2,0,0,0,0|1,0,0]=3 9987 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|0,0,2]=4 9988 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|0,0,2]=4 9989 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|0,0,2]=4 9990 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|0,0,2]=4 9991 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|1,0,1]=4 9992 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,2,0,0,0,0|1,0,0]=3 9993 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,2,0,0,0,0|1,0,0]=3 9994 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,2,0,0,0,0|1,0,0]=3 9995 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,2,0,0,0,0|1,0,0]=3 9996 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,2,0,0,0,0|1,0,0]=3 9997 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,2,0,0,0,0|0,0,0]=2 9998 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,2,0,0,0,0|0,0,0]=2 9999 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,2,0,0,0,0|0,0,0]=2 10000 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,2,0,0,0,0|0,0,0]=2 10001 B10R0.4 CCOCCCNCC(F)F 2230a_100000210961_100011934356 [0,2,0,0,0,0|2,0,0]=4 10002 B10R0.4 CCOCCCNCC(F)F 34a_100000210961_100011934356 [0,2,0,0,0,0|2,0,0]=4 10003 B10R0.4 CCOCCCNCC(F)F 34a_100000765723_100012232248 [0,2,0,0,0,0|2,0,0]=4 10004 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,2,0,0,0,0|0,0,0]=2 10005 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,2,0,0,0,0|0,0,0]=2 10006 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|0,0,2]=4 10007 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,2,0,0,0,0|1,0,0]=3 10008 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,2,0,0,0,0|1,0,0]=3 10009 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,2,0,0,0,0|1,0,0]=3 10010 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,2,0,0,0,0|1,0,0]=3 10011 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,2,0,0,0,0|1,0,0]=3 10012 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,2,0,0,0,0|0,0,0]=2 10013 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,2,0,0,0,0|0,0,0]=2 10014 B10R0.4 CCOCCCOCC(F)F 34a_100000743014_100012232248 [0,2,0,0,0,0|2,0,0]=4 10015 B10R0.4 CCOCCCOCC(F)F 34a_100000757476_100011934356 [0,2,0,0,0,0|2,0,0]=4 10016 B10R0.4 CCOCCCOCC(F)F 7a_100000757476_100011934356 [0,2,0,0,0,0|2,0,0]=4 10017 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,2,0,0,0,0|1,0,0]=3 10018 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,2,0,0,0,0|1,0,0]=3 10019 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,2,0,0,0,0|0,0,0]=2 10020 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,2,0,0,0,0|0,0,0]=2 10021 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,2,0,0,0,0|1,0,0]=3 10022 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,2,0,0,0,0|1,0,0]=3 10023 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,2,0,0,0,0|0,0,0]=2 10024 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,2,0,0,0,0|0,0,0]=2 10025 B10R0.4 CCOCCCSCC(F)F 62a_100011934356_100012232248 [0,2,0,0,0,0|2,0,0]=4 10026 B10R0.4 CCOCCCSCC(F)F 62a_100012232248_100011934356 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,2,0,0,0,0|0,0,0]=2 10028 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,2,0,0,0,0|0,0,0]=2 10029 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,2,0,0,0,0|1,0,0]=3 10030 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,2,0,0,0,0|1,0,0]=3 10031 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,2,0,0,0,0|1,0,0]=3 10032 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,2,0,0,0,0|0,0,0]=2 10033 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,2,0,0,0,0|0,0,0]=2 10034 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,2,0,0,0,0|0,0,0]=2 10035 B10R0.4 CCOCCNCOC(C)C 2230a_102516460346_100000709892 [0,2,0,0,0,0|2,0,0]=4 10036 B10R0.4 CCOCCNCOC(C)C 34a_102516460346_100000709892 [0,2,0,0,0,0|2,0,0]=4 10037 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|0,0,2]=4 10038 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|0,0,2]=4 10039 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|0,0,2]=4 10040 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|0,0,2]=4 10041 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,2,0,0,0,0|1,0,0]=3 10042 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,2,0,0,0,0|1,0,0]=3 10043 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,2,0,0,0,0|1,0,0]=3 10044 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,2,0,0,0,0|1,0,0]=3 10045 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,2,0,0,0,0|1,0,0]=3 10046 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,2,0,0,0,0|0,0,0]=2 10047 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,2,0,0,0,0|0,0,0]=2 10048 B10R0.4 CCOCCOCCC(F)F 34a_100103093639_100000210147 [0,2,0,0,0,0|2,0,0]=4 10049 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [0,2,0,0,0,0|2,0,0]=4 10050 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [0,2,0,0,0,0|2,0,0]=4 10051 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [0,2,0,0,0,0|2,0,0]=4 10052 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,2,0,0,0,0|1,0,0]=3 10053 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [0,2,0,0,0,0|2,0,0]=4 10054 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|0,0,2]=4 10055 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|0,0,2]=4 10056 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,2,0,0,0,0|1,0,0]=3 10057 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,2,0,0,0,0|1,0,0]=3 10058 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,2,0,0,0,0|0,0,0]=2 10059 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,2,0,0,0,0|0,0,0]=2 10060 B10R0.4 CCOCCSCCN(C)C 62a_100000210147_100000755713 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.4 CCOCCSCOC(C)C 62a_100000210147_100000709892 [0,2,0,0,0,0|2,0,0]=4 10062 B10R0.4 CCOCCSCOC(C)C 62a_100000709892_100011215890 [0,2,0,0,0,0|2,0,0]=4 10063 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|0,0,2]=4 10064 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|0,0,2]=4 10065 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,2,0,0,0,0|1,0,0]=3 10066 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,2,0,0,0,0|1,0,0]=3 10067 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,2,0,0,0,0|0,0,0]=2 10068 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,2,0,0,0,0|0,0,0]=2 10069 B10R0.4 CCOCSCCCN(C)C 62a_100000739092_100000757444 [0,2,0,0,0,0|2,0,0]=4 10070 B10R0.4 CCOCSCCOC(C)C 62a_100000211751_100000739092 [0,2,0,0,0,0|2,0,0]=4 10071 B10R0.4 CCOCSCCOC(C)C 62a_100000739092_100000211751 [0,2,0,0,0,0|2,0,0]=4 10072 B10R0.4 CCOCSCCSC(C)C 62a_100000730970_100000739092 [0,2,0,0,0,0|2,0,0]=4 10073 B10R0.4 CCOCSCCSC(C)C 62a_100000739092_100000730970 [0,2,0,0,0,0|2,0,0]=4 10074 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,2,0,0,0,0|2,0,0]=4 10075 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,2,0,0,0,0|2,0,0]=4 10076 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,2,0,0,0,0|1,0,0]=3 10077 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,2,0,0,0,0|1,0,0]=3 10078 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|0,0,2]=4 10079 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|0,0,2]=4 10080 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|0,0,2]=4 10081 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|0,0,2]=4 10082 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,2,0,0,0,0|1,0,0]=3 10083 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,2,0,0,0,0|1,0,0]=3 10084 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,2,0,0,0,0|0,0,0]=2 10085 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,2,0,0,0,0|0,0,0]=2 10086 B10R0.4 CCSCCCOCC(F)F 34a_100011216438_100011934356 [0,2,0,0,0,0|2,0,0]=4 10087 B10R0.4 CCSCCCOCC(F)F 7a_100011216438_100011934356 [0,2,0,0,0,0|2,0,0]=4 10088 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,2,0,0,0,0|0,0,0]=2 10089 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,2,0,0,0,0|0,0,0]=2 10090 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [0,2,0,0,0,0|1,0,0]=3 10091 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [0,2,0,0,0,0|1,0,0]=3 10092 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,2,0,0,0,0|0,0,0]=2 10093 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,2,0,0,0,0|0,0,0]=2 10094 B10R0.4 CCSCCNCOC(C)C 2230a_100000106463_100000709892 [0,2,0,0,0,0|2,0,0]=4 10095 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|0,0,2]=4 10096 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|0,0,2]=4 10097 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|0,0,2]=4 10098 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,2,0,0,0,0|1,0,0]=3 10099 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,2,0,0,0,0|1,0,0]=3 10100 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,2,0,0,0,0|1,0,0]=3 10101 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,2,0,0,0,0|1,0,0]=3 10102 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,2,0,0,0,0|1,0,0]=3 10103 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,2,0,0,0,0|0,0,0]=2 10104 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,2,0,0,0,0|0,0,0]=2 10105 B10R0.4 CCSCCOCCC(F)F 34a_100103093639_100000757381 [0,2,0,0,0,0|2,0,0]=4 10106 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [0,2,0,0,0,0|2,0,0]=4 10107 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,2,0,0,0,0|1,0,0]=3 10108 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [0,2,0,0,0,0|2,0,0]=4 10109 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|0,0,2]=4 10110 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|0,0,2]=4 10111 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [0,2,0,0,0,0|1,0,0]=3 10112 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [0,2,0,0,0,0|1,0,0]=3 10113 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,2,0,0,0,0|0,0,0]=2 10114 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,2,0,0,0,0|0,0,0]=2 10115 B10R0.4 CCSCCSCCN(C)C 62a_100000757381_100000755713 [0,2,0,0,0,0|2,0,0]=4 10116 B10R0.4 CCSCCSCOC(C)C 62a_100000709892_100000757381 [0,2,0,0,0,0|2,0,0]=4 10117 B10R0.4 CCSCCSCOC(C)C 62a_100000757381_100000709892 [0,2,0,0,0,0|2,0,0]=4 10118 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,2,0,0,0,0|2,0,0]=4 10119 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,2,0,0,0,0|2,0,0]=4 10120 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,2,0,0,0,0|2,0,0]=4 10121 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,2,0,0,0,0|2,0,0]=4 10122 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [0,2,0,0,0,0|2,0,0]=4 10123 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,2,0,0,0,0|2,0,0]=4 10124 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,2,0,0,0,0|2,0,0]=4 10125 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,2,0,0,0,0|2,0,0]=4 10126 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,2,0,0,0,0|2,0,0]=4 10127 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,2,0,0,0,0|2,0,0]=4 10128 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,2,0,0,0,0|2,0,0]=4 10129 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,2,0,0,0,0|2,0,0]=4 10130 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,2,0,0,0,0|2,0,0]=4 10131 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,2,0,0,0,0|2,0,0]=4 10132 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,2,0,0,0,0|2,0,0]=4 10133 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,2,0,0,0,0|1,0,0]=3 10134 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,2,0,0,0,0|1,0,0]=3 10135 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|0,0,2]=4 10136 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|0,0,2]=4 10137 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|0,0,2]=4 10138 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|0,0,2]=4 10139 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|0,0,2]=4 10140 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,2,0,0,0,0|1,0,0]=3 10141 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,2,0,0,0,0|1,0,0]=3 10142 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|0,0,0]=2 10143 B10R0.4 CNCCCOCOC(C)C 34a_100000213112_100000709892 [0,2,0,0,0,0|2,0,0]=4 10144 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [0,2,0,0,0,0|2,0,0]=4 10145 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,2,0,0,0,0|2,0,0]=4 10146 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|0,0,2]=4 10147 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 10148 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,2,0,0,0,0|2,0,0]=4 10149 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|0,0,2]=4 10150 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|0,0,2]=4 10151 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|0,0,2]=4 10152 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|0,0,2]=4 10153 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,2,0,0,0,0|1,0,0]=3 10154 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,2,0,0,0,0|1,0,0]=3 10155 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,2,0,0,0,0|1,0,0]=3 10156 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|0,0,2]=4 10157 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|1,0,1]=4 10158 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,2,0,0,0,0|1,0,0]=3 10159 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,2,0,0,0,0|1,0,0]=3 10160 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|0,0,0]=2 10161 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|0,0,0]=2 10162 B10R0.4 COCCCCNCC(F)F 34a_100000765723_100000755781 [0,2,0,0,0,0|2,0,0]=4 10163 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|0,0,2]=4 10164 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,2,0,0,0,0|1,0,0]=3 10165 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,2,0,0,0,0|1,0,0]=3 10166 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,2,0,0,0,0|1,0,0]=3 10167 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,2,0,0,0,0|1,0,0]=3 10168 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|0,0,0]=2 10169 B10R0.4 COCCCCOCC(F)F 34a_100000740925_100011934356 [0,2,0,0,0,0|2,0,0]=4 10170 B10R0.4 COCCCCOCC(F)F 34a_100000743014_100000755781 [0,2,0,0,0,0|2,0,0]=4 10171 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,2,0,0,0,0|1,0,0]=3 10172 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,2,0,0,0,0|1,0,0]=3 10173 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|0,0,0]=2 10174 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,2,0,0,0,0|1,0,0]=3 10175 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,2,0,0,0,0|1,0,0]=3 10176 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|0,0,0]=2 10177 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|0,0,0]=2 10178 B10R0.4 COCCCCSCC(F)F 62a_100000730899_100011934356 [0,2,0,0,0,0|2,0,0]=4 10179 B10R0.4 COCCCCSCC(F)F 62a_100011934356_100000730899 [0,2,0,0,0,0|2,0,0]=4 10180 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|0,0,0]=2 10181 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|0,0,0]=2 10182 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,2,0,0,0,0|1,0,0]=3 10183 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,2,0,0,0,0|1,0,0]=3 10184 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,2,0,0,0,0|0,0,0]=2 10185 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,2,0,0,0,0|0,0,0]=2 10186 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [0,2,0,0,0,0|2,0,0]=4 10187 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|0,0,2]=4 10188 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|0,0,2]=4 10189 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,2,0,0,0,0|1,0,0]=3 10190 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,2,0,0,0,0|1,0,0]=3 10191 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,2,0,0,0,0|1,0,0]=3 10192 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,2,0,0,0,0|1,0,0]=3 10193 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,2,0,0,0,0|0,0,0]=2 10194 B10R0.4 COCCCOCCC(F)F 34a_100103093639_100000740836 [0,2,0,0,0,0|2,0,0]=4 10195 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,2,0,0,0,0|1,0,0]=3 10196 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [0,2,0,0,0,0|2,0,0]=4 10197 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|0,0,2]=4 10198 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|0,0,2]=4 10199 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,2,0,0,0,0|1,0,0]=3 10200 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,2,0,0,0,0|1,0,0]=3 10201 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,2,0,0,0,0|0,0,0]=2 10202 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,2,0,0,0,0|0,0,0]=2 10203 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [0,2,0,0,0,0|2,0,0]=4 10204 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [0,2,0,0,0,0|2,0,0]=4 10205 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [0,2,0,0,0,0|2,0,0]=4 10206 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,2,0,0,0,0|1,0,0]=3 10207 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,2,0,0,0,0|1,0,0]=3 10208 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,2,0,0,0,0|1,0,0]=3 10209 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|0,0,0]=2 10210 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,2,0,0,0,0|1,0,1]=4 10211 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [0,2,0,0,0,0|2,0,0]=4 10212 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [0,2,0,0,0,0|2,0,0]=4 10213 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [0,2,0,0,0,0|2,0,0]=4 10214 B10R0.4 COCCNCCSC(C)C 2230a_100000209980_100000730970 [0,2,0,0,0,0|2,0,0]=4 10215 B10R0.4 COCCNCCSC(C)C 2230a_100000731138_100011201679 [0,2,0,0,0,0|2,0,0]=4 10216 B10R0.4 COCCNCCSC(C)C 34a_100000731138_100011201679 [0,2,0,0,0,0|2,0,0]=4 10217 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|0,0,2]=4 10218 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|0,0,2]=4 10219 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|0,0,2]=4 10220 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|0,0,2]=4 10221 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,2,0,0,0,0|1,0,0]=3 10222 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,2,0,0,0,0|1,0,0]=3 10223 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,2,0,0,0,0|1,0,0]=3 10224 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|0,0,0]=2 10225 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [0,2,0,0,0,0|2,0,0]=4 10226 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [0,2,0,0,0,0|2,0,0]=4 10227 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [0,2,0,0,0,0|2,0,0]=4 10228 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [0,2,0,0,0,0|2,0,0]=4 10229 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [0,2,0,0,0,0|2,0,0]=4 10230 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [0,2,0,0,0,0|2,0,0]=4 10231 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [0,2,0,0,0,0|2,0,0]=4 10232 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,2,0,0,0,0|2,0,0]=4 10233 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,2,0,0,0,0|2,0,0]=4 10234 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,2,0,0,0,0|2,0,0]=4 10235 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,2,0,0,0,0|2,0,0]=4 10236 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,2,0,0,0,0|2,0,0]=4 10237 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,2,0,0,0,0|2,0,0]=4 10238 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [0,2,0,0,0,0|2,0,0]=4 10239 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [0,2,0,0,0,0|2,0,0]=4 10240 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [0,2,0,0,0,0|2,0,0]=4 10241 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [0,2,0,0,0,0|2,0,0]=4 10242 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [0,2,0,0,0,0|2,0,0]=4 10243 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [0,2,0,0,0,0|2,0,0]=4 10244 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [0,2,0,0,0,0|1,0,0]=3 10245 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [0,2,0,0,0,0|2,0,0]=4 10246 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [0,2,0,0,0,0|2,0,0]=4 10247 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [0,2,0,0,0,0|1,0,0]=3 10248 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [0,2,0,0,0,0|1,0,0]=3 10249 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [0,2,0,0,0,0|1,0,0]=3 10250 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [0,2,0,0,0,0|1,0,0]=3 10251 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|0,0,2]=4 10252 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|0,0,2]=4 10253 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,2,0,0,0,0|1,0,0]=3 10254 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,2,0,0,0,0|1,0,0]=3 10255 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|0,0,0]=2 10256 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|0,0,0]=2 10257 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [0,2,0,0,0,0|2,0,0]=4 10258 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [0,2,0,0,0,0|2,0,0]=4 10259 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [0,2,0,0,0,0|2,0,0]=4 10260 B10R0.4 COCCSCCSC(C)C 62a_100000233755_100000730970 [0,2,0,0,0,0|2,0,0]=4 10261 B10R0.4 COCCSCCSC(C)C 62a_100000730970_100000233755 [0,2,0,0,0,0|2,0,0]=4 10262 B10R0.4 COCNCCCOC(C)C 2230a_100000737246_100000766300 [0,2,0,0,0,0|2,0,0]=4 10263 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,2,0,0,0,0|2,0,0]=4 10264 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,2,0,0,0,0|2,0,0]=4 10265 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|0,0,2]=4 10266 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|0,0,2]=4 10267 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,2,0,0,0,0|1,0,0]=3 10268 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,2,0,0,0,0|1,0,0]=3 10269 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [0,2,0,0,0,0|2,0,0]=4 10270 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,2,0,0,0,0|1,0,1]=4 10271 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,2,0,0,0,0|1,0,1]=4 10272 B10R0.4 CSCCC=NNCC(C)O 4a_200000730056_100000210997 [0,2,0,0,0,0|1,0,1]=4 10273 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,2,0,0,0,0|2,0,0]=4 10274 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,2,0,0,0,0|2,0,0]=4 10275 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|0,0,2]=4 10276 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|0,0,2]=4 10277 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,2,0,0,0,0|1,0,0]=3 10278 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,2,0,0,0,0|1,0,0]=3 10279 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|0,0,0]=2 10280 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|0,0,0]=2 10281 B10R0.4 CSCCCCOCC(F)F 34a_100011217163_100011934356 [0,2,0,0,0,0|2,0,0]=4 10282 B10R0.4 CSCCCCOCC(F)F 7a_100011217163_100011934356 [0,2,0,0,0,0|2,0,0]=4 10283 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|0,0,0]=2 10284 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|0,0,0]=2 10285 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,2,0,0,0,0|1,0,0]=3 10286 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,2,0,0,0,0|1,0,0]=3 10287 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,2,0,0,0,0|0,0,0]=2 10288 B10R0.4 CSCCCNCOC(C)C 2230a_100000749238_100000709892 [0,2,0,0,0,0|2,0,0]=4 10289 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|0,0,2]=4 10290 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,2,0,0,0,0|1,0,0]=3 10291 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,2,0,0,0,0|1,0,0]=3 10292 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|0,0,0]=2 10293 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|0,0,0]=2 10294 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [0,2,0,0,0,0|2,0,0]=4 10295 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [0,2,0,0,0,0|2,0,0]=4 10296 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,2,0,0,0,0|1,0,0]=3 10297 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,2,0,0,0,0|1,0,0]=3 10298 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,2,0,0,0,0|1,0,0]=3 10299 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,2,0,0,0,0|0,0,0]=2 10300 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,2,0,0,0,0|1,0,1]=4 10301 B10R0.4 CSCCNCCOC(C)C 2230a_100000701111_100000751147 [0,2,0,0,0,0|2,0,0]=4 10302 B10R0.4 CSCCNCCOC(C)C 2230a_100020590264_100000211751 [0,2,0,0,0,0|2,0,0]=4 10303 B10R0.4 CSCCNCCOC(C)C 34a_100000701111_100000212216 [0,2,0,0,0,0|2,0,0]=4 10304 B10R0.4 CSCCNCCSC(C)C 2230a_100000731138_100000751147 [0,2,0,0,0,0|2,0,0]=4 10305 B10R0.4 CSCCNCCSC(C)C 2230a_100020590264_100000730970 [0,2,0,0,0,0|2,0,0]=4 10306 B10R0.4 CSCCNCCSC(C)C 34a_100000731138_100000212216 [0,2,0,0,0,0|2,0,0]=4 10307 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|0,0,2]=4 10308 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|0,0,2]=4 10309 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|0,0,2]=4 10310 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|0,0,2]=4 10311 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,2,0,0,0,0|1,0,0]=3 10312 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,2,0,0,0,0|1,0,0]=3 10313 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,2,0,0,0,0|1,0,0]=3 10314 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,2,0,0,0,0|1,0,0]=3 10315 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,2,0,0,0,0|0,0,0]=2 10316 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,2,0,0,0,0|0,0,0]=2 10317 B10R0.4 CSCCOCCCN(C)C 7a_100000230434_100000757444 [0,2,0,0,0,0|2,0,0]=4 10318 B10R0.4 CSCCOCCNC(C)C 34a_100000224655_100000212216 [0,2,0,0,0,0|2,0,0]=4 10319 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,2,0,0,0,0|2,0,0]=4 10320 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,2,0,0,0,0|2,0,0]=4 10321 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,2,0,0,0,0|2,0,0]=4 10322 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,2,0,0,0,0|2,0,0]=4 10323 B10R0.4 CSCCOCCSC(C)C 34a_100000230434_100000730970 [0,2,0,0,0,0|2,0,0]=4 10324 B10R0.4 CSCCOCCSC(C)C 34a_200011212901_100000212216 [0,2,0,0,0,0|2,0,0]=4 10325 B10R0.4 CSCCOCCSC(C)C 7a_100000230434_100000730970 [0,2,0,0,0,0|2,0,0]=4 10326 B10R0.4 CSCCOCCSC(C)C 7a_200011212901_100000212216 [0,2,0,0,0,0|2,0,0]=4 10327 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|0,0,2]=4 10328 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|0,0,2]=4 10329 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,2,0,0,0,0|1,0,0]=3 10330 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,2,0,0,0,0|1,0,0]=3 10331 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,2,0,0,0,0|0,0,0]=2 10332 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,2,0,0,0,0|0,0,0]=2 10333 B10R0.4 CSCCSCCCN(C)C 62a_100000212216_100000757444 [0,2,0,0,0,0|2,0,0]=4 10334 B10R0.4 CSCCSCCOC(C)C 62a_100000211751_100000751147 [0,2,0,0,0,0|2,0,0]=4 10335 B10R0.4 CSCCSCCOC(C)C 62a_100000212216_100000211751 [0,2,0,0,0,0|2,0,0]=4 10336 B10R0.4 CSCCSCCSC(C)C 62a_100000212216_100000730970 [0,2,0,0,0,0|2,0,0]=4 10337 B10R0.4 CSCCSCCSC(C)C 62a_100000730970_100000751147 [0,2,0,0,0,0|2,0,0]=4 10338 B10R0.4 CSCNCCCOC(C)C 2230a_100000737246_100011218213 [0,2,0,0,0,0|2,0,0]=4 10339 B10R0.4 CSCNCCCOC(C)C 34a_100000737246_100011218213 [0,2,0,0,0,0|2,0,0]=4 10340 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,2,0,0,0,0|1,0,0]=3 10341 B10R0.4 CSCOCCCNC(C)C 34a_100000182298_100011218213 [0,2,0,0,0,0|2,0,0]=4 10342 B10R0.4 CSCOCCNCC(C)C 34a_100015185251_100011218213 [0,2,0,0,0,0|2,0,0]=4 10343 B10R0.4 CSCOCCOCC(C)C 34a_100000703358_100011218213 [0,2,0,0,0,0|2,0,0]=4 10344 B10R0.4 CSCOCCSCC(C)C 34a_200000230437_100011218213 [0,2,0,0,0,0|2,0,0]=4 10345 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,2,0,0,0,0|2,0,0]=4 10346 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,2,0,0,0,0|2,0,0]=4 10347 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|0,0,2]=4 10348 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|0,0,2]=4 10349 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,2,0,0,0,0|1,0,0]=3 10350 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,2,0,0,0,0|1,0,0]=3 10351 B10R0.4 CSCSCCCCN(C)C 62a_100011218213_100000690147 [0,2,0,0,0,0|2,0,0]=4 10352 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,2,0,0,0,0|1,0,0]=3 10353 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,2,0,0,0,0|1,0,0]=3 10354 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,2,0,0,0,0|2,0,0]=4 10355 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|1,0,0]=3 10356 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|1,0,0]=3 10357 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,2,0,0,0,0|1,0,0]=3 10358 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,2,0,0,0,0|1,0,0]=3 10359 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,2,0,0,0,0|2,0,0]=4 10360 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,2,0,0,0,0|0,0,0]=2 10361 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,0]=2 10362 B10R0.4 C[C@@H](O)CNCCCN=[N+]=[N-] 2230a_100000744732_100009817552 [0,2,0,0,0,0|2,0,0]=4 10363 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,2,0,0,0,0|1,0,0]=3 10364 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,2,0,0,0,0|1,0,0]=3 10365 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,2,0,0,0,0|1,0,0]=3 10366 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,2,0,0,0,0|0,0,0]=2 10367 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,2,0,0,0,0|0,0,0]=2 10368 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,2,0,0,0,0|0,0,0]=2 10369 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,2,0,0,0,0|0,0,0]=2 10370 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,2,0,0,0,0|0,0,0]=2 10371 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,2,0,0,0,0|0,0,0]=2 10372 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,0]=2 10373 B10R0.4 C[C@@H](O)COCCOCCBr 34a_100000692535_100009817552 [0,2,0,0,0,0|1,0,0]=3 10374 B10R0.4 C[C@@H](O)COCCOCCBr 7a_100000692535_100009817552 [0,2,0,0,0,0|1,0,0]=3 10375 B10R0.4 C[C@@H](O)COCCOCCCl 34a_100011215305_100009817552 [0,2,0,0,0,0|1,0,0]=3 10376 B10R0.4 C[C@@H](O)COCCOCCCl 7a_100011215305_100009817552 [0,2,0,0,0,0|1,0,0]=3 10377 B10R0.4 C[C@@H](O)COCCOCCF 34a_200015357709_100009817552 [0,2,0,0,0,0|1,0,0]=3 10378 B10R0.4 C[C@@H](O)COCCOCCF 7a_200015357709_100009817552 [0,2,0,0,0,0|1,0,0]=3 10379 B10R0.4 C[C@@H](O)COCCOCCI 34a_100012149058_100009817552 [0,2,0,0,0,0|1,0,0]=3 10380 B10R0.4 C[C@@H](O)COCCOCCI 7a_100012149058_100009817552 [0,2,0,0,0,0|1,0,0]=3 10381 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,2,0,0,0,0|1,0,0]=3 10382 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [0,2,0,0,0,0|0,0,1]=3 10383 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [0,2,0,0,0,0|0,0,1]=3 10384 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,2,0,0,0,0|0,0,1]=3 10385 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,2,0,0,0,0|0,0,1]=3 10386 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,2,0,0,0,0|0,0,0]=2 10387 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,2,0,0,0,0|0,0,0]=2 10388 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,2,0,0,0,0|0,0,0]=2 10389 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,2,0,0,0,0|0,0,0]=2 10390 B10R0.4 C[C@@H](O)CSCCOCC#N 62a_100009817552_200000047693 [0,2,0,0,0,0|1,0,1]=4 10391 B10R0.4 C[C@@H](O)CSCCOCC#N 62a_200000047693_100009817552 [0,2,0,0,0,0|1,0,1]=4 10392 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,2,0,0,0,0|1,0,0]=3 10393 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,2,0,0,0,0|1,0,0]=3 10394 B10R0.4 FC(F)COCCCCCBr 34a_100000746331_100011934356 [0,2,0,0,0,0|2,0,0]=4 10395 B10R0.4 FC(F)COCCCCCBr 7a_100000746331_100011934356 [0,2,0,0,0,0|2,0,0]=4 10396 B10R0.4 FC(F)COCCCCCCl 34a_100000746330_100011934356 [0,2,0,0,0,0|2,0,0]=4 10397 B10R0.4 FC(F)COCCCCCCl 7a_100000746330_100011934356 [0,2,0,0,0,0|2,0,0]=4 10398 B10R0.4 FC(F)COCCCCCI 34a_200012148887_100011934356 [0,2,0,0,0,0|2,0,0]=4 10399 B10R0.4 FC(F)COCCCCCI 7a_200012148887_100011934356 [0,2,0,0,0,0|2,0,0]=4 10400 B10R0.4 FCCCCCNCC(F)F 34a_100000765723_100000729378 [0,2,0,0,0,0|2,0,0]=4 10401 B10R0.4 FCCCCCOCC(F)F 34a_100000743014_100000729378 [0,2,0,0,0,0|2,0,0]=4 10402 B10R0.4 FCCCCCSCC(F)F 62a_100000729378_100011934356 [0,2,0,0,0,0|2,0,0]=4 10403 B10R0.4 FCCCCCSCC(F)F 62a_100011934356_100000729378 [0,2,0,0,0,0|2,0,0]=4 10404 B10R0.4 FCCCCOCCC(F)F 34a_100103093639_100000729493 [0,2,0,0,0,0|2,0,0]=4 10405 B10R0.4 NCCCCCOCC(F)F 34a_100000762737_100011934356 [0,2,0,0,0,0|2,0,0]=4 10406 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,2,0,0,0,0|2,0,0]=4 10407 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|1,0,1]=4 10408 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|1,0,1]=4 10409 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,2,0,0,0,0|2,0,0]=4 10410 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,2,0,0,0,0|2,0,0]=4 10411 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,2,0,0,0,0|2,0,0]=4 10412 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,2,0,0,0,0|2,0,0]=4 10413 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,2,0,0,0,0|2,0,0]=4 10414 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,2,0,0,0,0|2,0,0]=4 10415 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [0,2,0,0,0,0|2,0,0]=4 10416 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [0,2,0,0,0,0|2,0,0]=4 10417 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [0,2,0,0,0,0|2,0,0]=4 10418 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [0,2,0,0,0,0|2,0,0]=4 10419 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [0,2,0,0,0,0|2,0,0]=4 10420 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [0,2,0,0,0,0|2,0,0]=4 10421 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [0,2,0,0,0,0|2,0,0]=4 10422 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,2,0,0,0,0|2,0,0]=4 10423 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,2,0,0,0,0|2,0,0]=4 10424 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,2,0,0,0,0|2,0,0]=4 10425 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,2,0,0,0,0|2,0,0]=4 10426 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|0,0,2]=4 10427 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,2,0,0,0,0|2,0,0]=4 10428 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,2,0,0,0,0|2,0,0]=4 10429 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,2,0,0,0,0|0,0,2]=4 10430 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,2,0,0,0,0|0,0,2]=4 10431 B10R0.6 C#CCCCN(C)CC(C)O 2230a_100000227577_100000731252 [0,2,0,0,0,0|0,0,2]=4 10432 B10R0.6 C#CCCCN(C)CC(C)O 269982a_100000227577_100011215417 [0,2,0,0,0,0|0,0,2]=4 10433 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|1,0,1]=4 10434 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|1,0,1]=4 10435 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|1,0,1]=4 10436 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|1,0,1]=4 10437 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|1,0,1]=4 10438 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,2,0,0,0,0|0,0,2]=4 10439 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,2,0,0,0,0|0,0,2]=4 10440 B10R0.6 C=CCCCN(C)CC(C)O 2230a_100000227577_100011713584 [0,2,0,0,0,0|0,0,2]=4 10441 B10R0.6 C=CCCCN(C)CC(C)O 269982a_100000227577_100000757094 [0,2,0,0,0,0|0,0,2]=4 10442 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|1,0,1]=4 10443 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|1,0,1]=4 10444 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|1,0,1]=4 10445 B10R0.6 CC(C)CC(C)NCCCF 2230a_100000692259_100011934791 [0,2,0,0,0,0|2,0,0]=4 10446 B10R0.6 CC(C)CC(C)NCCCF 2230a_100015189416_100000731052 [0,2,0,0,0,0|2,0,0]=4 10447 B10R0.6 CC(C)CC(C)NCCCF 34a_100015189416_100000731052 [0,2,0,0,0,0|2,0,0]=4 10448 B10R0.6 CC(C)CC(C)NCCCO 2230a_100000692259_100000230001 [0,2,0,0,0,0|2,0,0]=4 10449 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [0,2,0,0,0,0|2,0,0]=4 10450 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [0,2,0,0,0,0|2,0,0]=4 10451 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [0,2,0,0,0,0|2,0,0]=4 10452 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [0,2,0,0,0,0|2,0,0]=4 10453 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [0,2,0,0,0,0|2,0,0]=4 10454 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [0,2,0,0,0,0|2,0,0]=4 10455 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [0,2,0,0,0,0|2,0,0]=4 10456 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [0,2,0,0,0,0|2,0,0]=4 10457 B10R0.6 CC(C)CC(C)SCCCF 62a_100000731052_100011934791 [0,2,0,0,0,0|2,0,0]=4 10458 B10R0.6 CC(C)CC(C)SCCCF 62a_100011934791_100000731052 [0,2,0,0,0,0|2,0,0]=4 10459 B10R0.6 CC(C)CC(C)SCCCO 62a_100000731052_100011215043 [0,2,0,0,0,0|2,0,0]=4 10460 B10R0.6 CC(C)CC(C)SCCCO 62a_100011215043_100000731052 [0,2,0,0,0,0|2,0,0]=4 10461 B10R0.6 CC(C)CN(C)CCCCF 2230a_100000747067_100000729493 [0,2,0,0,0,0|2,0,0]=4 10462 B10R0.6 CC(C)CN(C)CCCCF 269982a_100000747067_100000729493 [0,2,0,0,0,0|2,0,0]=4 10463 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000717598_100000210760 [0,2,0,0,0,0|2,0,0]=4 10464 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000747067_100000210776 [0,2,0,0,0,0|2,0,0]=4 10465 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000717598_100000210624 [0,2,0,0,0,0|2,0,0]=4 10466 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000747067_100000210776 [0,2,0,0,0,0|2,0,0]=4 10467 B10R0.6 CC(C)CN(C)CCCCO 270004a_100000717598_100000210432 [0,2,0,0,0,0|2,0,0]=4 10468 B10R0.6 CC(C)C[C@H](N)CCOCF 34a_100161151251_100015361967 [0,2,0,0,0,0|2,0,0]=4 10469 B10R0.6 CC(C)C[C@H](N)COCCF 34a_100011830311_100011217306 [0,2,0,0,0,0|2,0,0]=4 10470 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [0,2,0,0,0,0|2,0,0]=4 10471 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,2,0,0,0,0|0,0,2]=4 10472 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|0,0,1]=3 10473 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|1,0,1]=4 10474 B10R0.6 CC(O)CN(C)CCCC#N 2230a_100000227577_100000687738 [0,2,0,0,0,0|1,0,1]=4 10475 B10R0.6 CC(O)CN(C)CCCC#N 269982a_100000227577_100000687738 [0,2,0,0,0,0|1,0,1]=4 10476 B10R0.6 CC(O)CN(C)CCCC=O 2230a_100000227577_200011292268 [0,2,0,0,0,0|1,0,1]=4 10477 B10R0.6 CC(O)CN(C)CCCC=O 269982a_100000227577_200011292268 [0,2,0,0,0,0|1,0,1]=4 10478 B10R0.6 CC(O)CN(C)CCCCF 2230a_100000227577_100000729493 [0,2,0,0,0,0|1,0,0]=3 10479 B10R0.6 CC(O)CN(C)CCCCF 269982a_100000227577_100000729493 [0,2,0,0,0,0|1,0,0]=3 10480 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000227577_100000210776 [0,2,0,0,0,0|1,0,0]=3 10481 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000717598_100011218427 [0,2,0,0,0,0|1,0,0]=3 10482 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000227577_100000210776 [0,2,0,0,0,0|1,0,0]=3 10483 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000717598_100011218427 [0,2,0,0,0,0|1,0,0]=3 10484 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|0,0,2]=4 10485 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|0,0,2]=4 10486 B10R0.6 CC/C=C\CN(C)CC(C)O 2230a_100000227577_100103147603 [0,2,0,0,0,0|0,0,2]=4 10487 B10R0.6 CC/C=C\CN(C)CC(C)O 269982a_100000227577_100103147603 [0,2,0,0,0,0|0,0,2]=4 10488 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,2,0,0,0,0|0,0,2]=4 10489 B10R0.6 CCC#CCN(C)CC(C)O 2230a_100000227577_100009813939 [0,2,0,0,0,0|0,0,2]=4 10490 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,2,0,0,0,0|0,0,2]=4 10491 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,2,0,0,0,0|0,0,2]=4 10492 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|0,0,2]=4 10493 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,0]=3 10494 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,0]=3 10495 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,0]=2 10496 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|2,0,0]=4 10497 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|2,0,0]=4 10498 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 10499 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|2,0,0]=4 10500 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,0]=2 10501 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|2,0,0]=4 10502 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 10503 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 10504 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 10505 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|1,0,1]=4 10506 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|0,0,2]=4 10507 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|0,0,2]=4 10508 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|0,0,2]=4 10509 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|0,0,2]=4 10510 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,2,0,0,0,0|1,0,0]=3 10511 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,2,0,0,0,0|1,0,0]=3 10512 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,2,0,0,0,0|1,0,0]=3 10513 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|1,0,0]=3 10514 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|1,0,0]=3 10515 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|1,0,0]=3 10516 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,2,0,0,0,0|1,0,0]=3 10517 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,2,0,0,0,0|1,0,0]=3 10518 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|1,0,1]=4 10519 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,2,0,0,0,0|1,0,0]=3 10520 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,2,0,0,0,0|1,0,0]=3 10521 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,2,0,0,0,0|1,0,0]=3 10522 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,2,0,0,0,0|1,0,0]=3 10523 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,2,0,0,0,0|1,0,0]=3 10524 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|0,0,0]=2 10525 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|0,0,0]=2 10526 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|0,0,0]=2 10527 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|0,0,0]=2 10528 B10R0.6 CCCCCN(C)CC(F)F 2230a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 10529 B10R0.6 CCCCCN(C)CC(F)F 269982a_100000223495_100011934356 [0,2,0,0,0,0|2,0,0]=4 10530 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|0,0,0]=2 10531 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|0,0,0]=2 10532 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|1,0,1]=4 10533 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|1,0,1]=4 10534 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|1,0,1]=4 10535 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|1,0,1]=4 10536 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|0,0,1]=3 10537 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,2,0,0,0,0|1,0,0]=3 10538 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,2,0,0,0,0|1,0,0]=3 10539 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,2,0,0,0,0|1,0,0]=3 10540 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,2,0,0,0,0|1,0,0]=3 10541 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,2,0,0,0,0|1,0,0]=3 10542 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,2,0,0,0,0|1,0,0]=3 10543 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,2,0,0,0,0|1,0,0]=3 10544 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,2,0,0,0,0|1,0,0]=3 10545 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,2,0,0,0,0|1,0,0]=3 10546 B10R0.6 CCCCSC(C)CN(C)C 62a_100000210211_100020606517 [0,2,0,0,0,0|2,0,0]=4 10547 B10R0.6 CCCCSC(C)CN(C)C 62a_100020606517_100000210210 [0,2,0,0,0,0|2,0,0]=4 10548 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|1,0,1]=4 10549 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,2,0,0,0,0|1,0,1]=4 10550 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|1,0,1]=4 10551 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|0,0,1]=3 10552 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|1,0,0]=3 10553 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|1,0,1]=4 10554 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|0,0,1]=3 10555 B10R0.6 CCCSCC(C)CN(C)C 62a_100000210303_100015348159 [0,2,0,0,0,0|2,0,0]=4 10556 B10R0.6 CCCSCC(C)CN(C)C 62a_100015348159_100000210303 [0,2,0,0,0,0|2,0,0]=4 10557 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|1,0,1]=4 10558 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|1,0,1]=4 10559 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|0,0,1]=3 10560 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|0,0,1]=3 10561 B10R0.6 CCOCCN(C)CC(C)C 2230a_100000747067_100011215890 [0,2,0,0,0,0|2,0,0]=4 10562 B10R0.6 CCOCCN(C)CC(C)C 269982a_100000747067_100011215890 [0,2,0,0,0,0|2,0,0]=4 10563 B10R0.6 CCOCCN(C)CC(C)O 2230a_100000227577_100011215890 [0,2,0,0,0,0|1,0,0]=3 10564 B10R0.6 CCOCCN(C)CC(C)O 269982a_100000227577_100011215890 [0,2,0,0,0,0|1,0,0]=3 10565 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,2,0,0,0,0|1,0,0]=3 10566 B10R0.6 CCOCSC(C)CC(C)C 62a_100000731052_100000739092 [0,2,0,0,0,0|2,0,0]=4 10567 B10R0.6 CCOCSC(C)CC(C)C 62a_100000739092_100000731052 [0,2,0,0,0,0|2,0,0]=4 10568 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|1,0,1]=4 10569 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|1,0,1]=4 10570 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|0,0,1]=3 10571 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|0,0,1]=3 10572 B10R0.6 CCSCCN(C)CC(C)C 2230a_100000747067_100000757381 [0,2,0,0,0,0|2,0,0]=4 10573 B10R0.6 CCSCCN(C)CC(C)C 269982a_100000747067_100000757381 [0,2,0,0,0,0|2,0,0]=4 10574 B10R0.6 CCSCCN(C)CC(C)O 2230a_100000227577_100000757381 [0,2,0,0,0,0|1,0,0]=3 10575 B10R0.6 CCSCCN(C)CC(C)O 269982a_100000227577_100000757381 [0,2,0,0,0,0|1,0,0]=3 10576 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|1,0,1]=4 10577 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|1,0,1]=4 10578 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|0,0,1]=3 10579 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|0,0,1]=3 10580 B10R0.6 COCCCC(C)OC(C)C 34a_200011539412_100000210206 [0,2,0,0,0,0|2,0,0]=4 10581 B10R0.6 COCCCC(C)OC(C)C 7a_200011539412_100000210206 [0,2,0,0,0,0|2,0,0]=4 10582 B10R0.6 COCCCN(C)CC(C)C 2230a_100000224831_100000210760 [0,2,0,0,0,0|2,0,0]=4 10583 B10R0.6 COCCCN(C)CC(C)C 2230a_100000747067_100000740836 [0,2,0,0,0,0|2,0,0]=4 10584 B10R0.6 COCCCN(C)CC(C)C 269982a_100000224831_100000210624 [0,2,0,0,0,0|2,0,0]=4 10585 B10R0.6 COCCCN(C)CC(C)C 269982a_100000747067_100000740836 [0,2,0,0,0,0|2,0,0]=4 10586 B10R0.6 COCCCN(C)CC(C)C 270004a_100000224831_100000210432 [0,2,0,0,0,0|2,0,0]=4 10587 B10R0.6 COCCCN(C)CC(C)O 2230a_100000224831_100011218427 [0,2,0,0,0,0|1,0,0]=3 10588 B10R0.6 COCCCN(C)CC(C)O 2230a_100000227577_100000740836 [0,2,0,0,0,0|1,0,0]=3 10589 B10R0.6 COCCCN(C)CC(C)O 269982a_100000224831_100011218427 [0,2,0,0,0,0|1,0,0]=3 10590 B10R0.6 COCCCN(C)CC(C)O 269982a_100000227577_100000740836 [0,2,0,0,0,0|1,0,0]=3 10591 B10R0.6 COCCCN(C)C[C@@H](C)O 2230a_100000224831_100009817552 [0,2,0,0,0,0|1,0,0]=3 10592 B10R0.6 COCCCN(C)C[C@@H](C)O 269982a_100000224831_100009817552 [0,2,0,0,0,0|1,0,0]=3 10593 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,2,0,0,0,0|1,0,1]=4 10594 B10R0.6 COCCNC(C)CC(C)C 2230a_100000209980_100000731052 [0,2,0,0,0,0|2,0,0]=4 10595 B10R0.6 COCCNC(C)CC(C)C 2230a_100000692259_100011201679 [0,2,0,0,0,0|2,0,0]=4 10596 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [0,2,0,0,0,0|2,0,0]=4 10597 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [0,2,0,0,0,0|2,0,0]=4 10598 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [0,2,0,0,0,0|2,0,0]=4 10599 B10R0.6 COCCSC(C)CC(C)C 62a_100000233755_100000731052 [0,2,0,0,0,0|2,0,0]=4 10600 B10R0.6 COCCSC(C)CC(C)C 62a_100000731052_100000233755 [0,2,0,0,0,0|2,0,0]=4 10601 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|1,0,1]=4 10602 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|0,0,1]=3 10603 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,2,0,0,0,0|1,0,1]=4 10604 B10R0.6 CSCCNC(C)CC(C)C 2230a_100000692259_100000751147 [0,2,0,0,0,0|2,0,0]=4 10605 B10R0.6 CSCCNC(C)CC(C)C 2230a_100020590264_100000731052 [0,2,0,0,0,0|2,0,0]=4 10606 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [0,2,0,0,0,0|2,0,0]=4 10607 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [0,2,0,0,0,0|2,0,0]=4 10608 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [0,2,0,0,0,0|2,0,0]=4 10609 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [0,2,0,0,0,0|2,0,0]=4 10610 B10R0.6 CSCCSC(C)CC(C)C 62a_100000212216_100000731052 [0,2,0,0,0,0|2,0,0]=4 10611 B10R0.6 CSCCSC(C)CC(C)C 62a_100000731052_100000751147 [0,2,0,0,0,0|2,0,0]=4 10612 B10R0.6 CSCOC[C@@H](N)CC(C)C 34a_100011830311_100011218213 [0,2,0,0,0,0|2,0,0]=4 10613 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,2,0,0,0,0|0,0,2]=4 10614 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|0,0,1]=3 10615 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|0,0,1]=3 10616 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,2,0,0,0,0|1,0,1]=4 10617 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,2,0,0,0,0|1,0,1]=4 10618 B10R0.6 C[C@@H](O)CN(C)CCCCO 2230a_100000717598_100009817552 [0,2,0,0,0,0|1,0,0]=3 10619 B10R0.6 C[C@@H](O)CN(C)CCCCO 269982a_100000717598_100009817552 [0,2,0,0,0,0|1,0,0]=3 10620 B10R0.22 C#CCCCNCC(C)(C)O 2230a_100000751335_100000731252 [0,2,0,0,0,0|0,0,2]=4 10621 B10R0.22 C#CCCCNCC(C)(C)O 34a_100000718082_100000764493 [0,2,0,0,0,0|0,0,2]=4 10622 B10R0.22 C#CCCCOCC(C)(C)O 34a_100000215630_100000764493 [0,2,0,0,0,0|0,0,2]=4 10623 B10R0.22 C#CCCCOCC(C)(C)O 7a_100000215630_100000764493 [0,2,0,0,0,0|0,0,2]=4 10624 B10R0.22 C#CCCCSCC(C)(C)O 62a_100000764493_100011215417 [0,2,0,0,0,0|0,0,2]=4 10625 B10R0.22 C#CCCCSCC(C)(C)O 62a_100011215417_100000764493 [0,2,0,0,0,0|0,0,2]=4 10626 B10R0.22 C#CCCNCCC(C)(C)O 34a_100000755551_100000702414 [0,2,0,0,0,0|0,0,2]=4 10627 B10R0.22 C#CCCOCCC(C)(C)O 34a_100011215631_100000702414 [0,2,0,0,0,0|0,0,2]=4 10628 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000688953_100000702414 [0,2,0,0,0,0|0,0,2]=4 10629 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000702414_100000688953 [0,2,0,0,0,0|0,0,2]=4 10630 B10R0.22 C#CCNCCCC(C)(C)O 34a_100000212058_100009888830 [0,2,0,0,0,0|0,0,2]=4 10631 B10R0.22 C#CCOCCCC(C)(C)O 34a_100000210247_100009888830 [0,2,0,0,0,0|0,0,2]=4 10632 B10R0.22 C#CCSCCCC(C)(C)O 62a_100000038162_100009888830 [0,2,0,0,0,0|0,0,2]=4 10633 B10R0.22 C/C=C/CCOCC(C)(C)O 34a_100016278192_100000764493 [0,2,0,0,0,0|0,0,2]=4 10634 B10R0.22 C/C=C/COCCC(C)(C)O 34a_100016270725_100000702414 [0,2,0,0,0,0|0,0,2]=4 10635 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100000702414_100102629194 [0,2,0,0,0,0|0,0,2]=4 10636 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100102629194_100000702414 [0,2,0,0,0,0|0,0,2]=4 10637 B10R0.22 C=CCCCNCC(C)(C)O 2230a_100000751335_100011713584 [0,2,0,0,0,0|0,0,2]=4 10638 B10R0.22 C=CCCCNCC(C)(C)O 34a_100000700776_100000764493 [0,2,0,0,0,0|0,0,2]=4 10639 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [0,2,0,0,0,0|0,0,2]=4 10640 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [0,2,0,0,0,0|0,0,2]=4 10641 B10R0.22 C=CCCCSCC(C)(C)O 62a_100000764493_100000757094 [0,2,0,0,0,0|0,0,2]=4 10642 B10R0.22 C=CCCCSCC(C)(C)O 62a_100011713584_100000764493 [0,2,0,0,0,0|0,0,2]=4 10643 B10R0.22 C=CCCNCCC(C)(C)O 2230a_100015191253_100000702414 [0,2,0,0,0,0|0,0,2]=4 10644 B10R0.22 C=CCCOCCC(C)(C)O 34a_100011205117_100000702414 [0,2,0,0,0,0|0,0,2]=4 10645 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000702414_100000754431 [0,2,0,0,0,0|0,0,2]=4 10646 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000754431_100000702414 [0,2,0,0,0,0|0,0,2]=4 10647 B10R0.22 C=CCNCCCC(C)(C)O 2230a_100020586998_100009888830 [0,2,0,0,0,0|0,0,2]=4 10648 B10R0.22 C=CCOCCCC(C)(C)O 34a_200000210373_100009888830 [0,2,0,0,0,0|0,0,2]=4 10649 B10R0.22 C=CCSCCCC(C)(C)O 62a_100000210623_100009888830 [0,2,0,0,0,0|0,0,2]=4 10650 B10R0.22 C=CCSCCCC(C)(C)O 62a_100009888830_100000210623 [0,2,0,0,0,0|0,0,2]=4 10651 B10R0.22 CC#CCCOCC(C)(C)O 34a_100000750427_100000764493 [0,2,0,0,0,0|0,0,2]=4 10652 B10R0.22 CC#CCNCCC(C)(C)O 2230a_100000685387_100000702414 [0,2,0,0,0,0|0,0,2]=4 10653 B10R0.22 CC#CCNCCC(C)(C)O 34a_100000685387_100000702414 [0,2,0,0,0,0|0,0,2]=4 10654 B10R0.22 CC#CCOCCC(C)(C)O 34a_100000761923_100000702414 [0,2,0,0,0,0|0,0,2]=4 10655 B10R0.22 CC#CCSCCC(C)(C)O 62a_100000702414_100000748600 [0,2,0,0,0,0|0,0,2]=4 10656 B10R0.22 CC#CCSCCC(C)(C)O 62a_100000748600_100000702414 [0,2,0,0,0,0|0,0,2]=4 10657 B10R0.22 CC(C)(C)CCNCCCF 2230a_100000738805_100011934791 [0,2,0,0,0,0|2,0,0]=4 10658 B10R0.22 CC(C)(C)CCNCCCF 2230a_100015189416_100000755188 [0,2,0,0,0,0|2,0,0]=4 10659 B10R0.22 CC(C)(C)CCNCCCF 34a_100015189416_100000755188 [0,2,0,0,0,0|2,0,0]=4 10660 B10R0.22 CC(C)(C)CCNCCCO 2230a_100000738805_100000230001 [0,2,0,0,0,0|2,0,0]=4 10661 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [0,2,0,0,0,0|2,0,0]=4 10662 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [0,2,0,0,0,0|2,0,0]=4 10663 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [0,2,0,0,0,0|2,0,0]=4 10664 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [0,2,0,0,0,0|2,0,0]=4 10665 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [0,2,0,0,0,0|2,0,0]=4 10666 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [0,2,0,0,0,0|2,0,0]=4 10667 B10R0.22 CC(C)(C)CCSCCCF 62a_100000755188_100011934791 [0,2,0,0,0,0|2,0,0]=4 10668 B10R0.22 CC(C)(C)CCSCCCF 62a_100011934791_100000755188 [0,2,0,0,0,0|2,0,0]=4 10669 B10R0.22 CC(C)(C)CCSCCCO 62a_100000755188_100011215043 [0,2,0,0,0,0|2,0,0]=4 10670 B10R0.22 CC(C)(C)CCSCCCO 62a_100011215043_100000755188 [0,2,0,0,0,0|2,0,0]=4 10671 B10R0.22 CC(C)(C)CNCCCCF 2230a_100000743828_100000729493 [0,2,0,0,0,0|2,0,0]=4 10672 B10R0.22 CC(C)(C)CNCCCCO 2230a_100000743828_100000210776 [0,2,0,0,0,0|2,0,0]=4 10673 B10R0.22 CC(C)(C)CNCCCCO 270004a_100000750430_100011204126 [0,2,0,0,0,0|2,0,0]=4 10674 B10R0.22 CC(C)(C)CNCCCCO 34a_100000750430_100011219605 [0,2,0,0,0,0|2,0,0]=4 10675 B10R0.22 CC(C)(C)COCCCCBr 34a_100011216708_100011219605 [0,2,0,0,0,0|2,0,0]=4 10676 B10R0.22 CC(C)(C)COCCCCCl 34a_100000210776_100011219605 [0,2,0,0,0,0|2,0,0]=4 10677 B10R0.22 CC(C)(C)COCCCCF 34a_100011995726_100011219605 [0,2,0,0,0,0|2,0,0]=4 10678 B10R0.22 CC(C)(C)COCCCCI 34a_200012148704_100011219605 [0,2,0,0,0,0|2,0,0]=4 10679 B10R0.22 CC(C)(C)COCCCCN 34a_100000750430_100011219605 [0,2,0,0,0,0|2,0,0]=4 10680 B10R0.22 CC(C)(C)CSCCCCF 62a_100000729493_100011219605 [0,2,0,0,0,0|2,0,0]=4 10681 B10R0.22 CC(C)(C)CSCCCCF 62a_100011219605_100000729493 [0,2,0,0,0,0|2,0,0]=4 10682 B10R0.22 CC(C)(C)CSCCCCO 62a_100000210776_100011219605 [0,2,0,0,0,0|2,0,0]=4 10683 B10R0.22 CC(C)(C)CSCCCCO 62a_100011219605_100000210776 [0,2,0,0,0,0|2,0,0]=4 10684 B10R0.22 CC(C)(C)NCCCCCF 2230a_100000715429_100000729378 [0,2,0,0,0,0|2,0,0]=4 10685 B10R0.22 CC(C)(C)NCCCCCO 2230a_100000715429_100000746330 [0,2,0,0,0,0|2,0,0]=4 10686 B10R0.22 CC(C)(C)NCCCCCO 34a_100000762737_100000210625 [0,2,0,0,0,0|2,0,0]=4 10687 B10R0.22 CC(C)(C)OCCCCCBr 34a_100000746331_100000210625 [0,2,0,0,0,0|2,0,0]=4 10688 B10R0.22 CC(C)(C)OCCCCCCl 34a_100000746330_100000210625 [0,2,0,0,0,0|2,0,0]=4 10689 B10R0.22 CC(C)(C)OCCCCCF 34a_100015890283_100000729378 [0,2,0,0,0,0|2,0,0]=4 10690 B10R0.22 CC(C)(C)OCCCCCF 7a_100015890283_100000729378 [0,2,0,0,0,0|2,0,0]=4 10691 B10R0.22 CC(C)(C)OCCCCCI 34a_200012148887_100000210625 [0,2,0,0,0,0|2,0,0]=4 10692 B10R0.22 CC(C)(C)OCCCCCN 34a_100000762737_100000210625 [0,2,0,0,0,0|2,0,0]=4 10693 B10R0.22 CC(C)(C)OCCCCCO 34a_100015890283_100000746330 [0,2,0,0,0,0|2,0,0]=4 10694 B10R0.22 CC(C)(C)OCCCCCO 7a_100015890283_100000746330 [0,2,0,0,0,0|2,0,0]=4 10695 B10R0.22 CC(C)(C)SCCCCCF 62a_100000211941_100000729378 [0,2,0,0,0,0|2,0,0]=4 10696 B10R0.22 CC(C)(C)SCCCCCF 62a_100000729378_100000211941 [0,2,0,0,0,0|2,0,0]=4 10697 B10R0.22 CC(C)(C)SCCCCCO 62a_100000211941_100000746330 [0,2,0,0,0,0|2,0,0]=4 10698 B10R0.22 CC(C)(C)SCCCCCO 62a_100000746330_100000211941 [0,2,0,0,0,0|2,0,0]=4 10699 B10R0.22 CC(C)(F)CCNCCCF 2230a_100016253952_100011934791 [0,2,0,0,0,0|2,0,0]=4 10700 B10R0.22 CC(C)(F)CCNCCCO 2230a_100016253952_100000230001 [0,2,0,0,0,0|2,0,0]=4 10701 B10R0.22 CC(C)(F)CNCCCCF 2230a_100020643315_100000729493 [0,2,0,0,0,0|2,0,0]=4 10702 B10R0.22 CC(C)(F)CNCCCCO 2230a_100020643315_100000210776 [0,2,0,0,0,0|2,0,0]=4 10703 B10R0.22 CC(C)(F)CNCCCCO 34a_100000750430_100011997219 [0,2,0,0,0,0|2,0,0]=4 10704 B10R0.22 CC(C)(F)COCCCCBr 34a_100011216708_100011997219 [0,2,0,0,0,0|2,0,0]=4 10705 B10R0.22 CC(C)(F)COCCCCCl 34a_100000210776_100011997219 [0,2,0,0,0,0|2,0,0]=4 10706 B10R0.22 CC(C)(F)COCCCCF 34a_100000716592_100000729493 [0,2,0,0,0,0|2,0,0]=4 10707 B10R0.22 CC(C)(F)COCCCCF 34a_100011995726_100011997219 [0,2,0,0,0,0|2,0,0]=4 10708 B10R0.22 CC(C)(F)COCCCCI 34a_200012148704_100011997219 [0,2,0,0,0,0|2,0,0]=4 10709 B10R0.22 CC(C)(F)COCCCCN 34a_100000750430_100011997219 [0,2,0,0,0,0|2,0,0]=4 10710 B10R0.22 CC(C)(F)COCCCCO 34a_100000716592_100011216708 [0,2,0,0,0,0|2,0,0]=4 10711 B10R0.22 CC(C)(F)CSCCCCF 62a_100000729493_100011997219 [0,2,0,0,0,0|2,0,0]=4 10712 B10R0.22 CC(C)(F)CSCCCCF 62a_100011997219_100000729493 [0,2,0,0,0,0|2,0,0]=4 10713 B10R0.22 CC(C)(F)CSCCCCO 62a_100000210776_100011997219 [0,2,0,0,0,0|2,0,0]=4 10714 B10R0.22 CC(C)(F)CSCCCCO 62a_100011997219_100000210776 [0,2,0,0,0,0|2,0,0]=4 10715 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,2,0,0,0,0|0,0,0]=2 10716 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,2,0,0,0,0|0,0,0]=2 10717 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [0,2,0,0,0,0|1,0,0]=3 10718 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [0,2,0,0,0,0|1,0,0]=3 10719 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [0,2,0,0,0,0|1,0,0]=3 10720 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [0,2,0,0,0,0|1,0,0]=3 10721 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [0,2,0,0,0,0|1,0,0]=3 10722 B10R0.22 CC(C)(O)CCCSCC#N 62a_100009888830_100011215382 [0,2,0,0,0,0|1,0,1]=4 10723 B10R0.22 CC(C)(O)CCCSCC#N 62a_100011215382_100009888830 [0,2,0,0,0,0|1,0,1]=4 10724 B10R0.22 CC(C)(O)CCCSCC=O 62a_100009888830_200015260668 [0,2,0,0,0,0|1,0,1]=4 10725 B10R0.22 CC(C)(O)CCCSCC=O 62a_200015260668_100009888830 [0,2,0,0,0,0|1,0,1]=4 10726 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [0,2,0,0,0,0|1,0,0]=3 10727 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [0,2,0,0,0,0|1,0,0]=3 10728 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [0,2,0,0,0,0|1,0,0]=3 10729 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [0,2,0,0,0,0|1,0,0]=3 10730 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [0,2,0,0,0,0|1,0,0]=3 10731 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [0,2,0,0,0,0|1,0,0]=3 10732 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [0,2,0,0,0,0|1,0,0]=3 10733 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [0,2,0,0,0,0|1,0,0]=3 10734 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [0,2,0,0,0,0|1,0,0]=3 10735 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [0,2,0,0,0,0|1,0,0]=3 10736 B10R0.22 CC(C)(O)CCOCCON 34a_100000700252_100000702414 [0,2,0,0,0,0|2,0,0]=4 10737 B10R0.22 CC(C)(O)CCSCCC#N 62a_100000702414_100011215226 [0,2,0,0,0,0|1,0,1]=4 10738 B10R0.22 CC(C)(O)CCSCCC#N 62a_100011215226_100000702414 [0,2,0,0,0,0|1,0,1]=4 10739 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [0,2,0,0,0,0|1,0,0]=3 10740 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [0,2,0,0,0,0|1,0,0]=3 10741 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [0,2,0,0,0,0|1,0,0]=3 10742 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [0,2,0,0,0,0|1,0,0]=3 10743 B10R0.22 CC(C)(O)CNCCCC#N 2230a_100000751335_100000687738 [0,2,0,0,0,0|1,0,1]=4 10744 B10R0.22 CC(C)(O)CNCCCC=O 2230a_100000751335_200011292268 [0,2,0,0,0,0|1,0,1]=4 10745 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [0,2,0,0,0,0|1,0,0]=3 10746 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [0,2,0,0,0,0|1,0,0]=3 10747 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [0,2,0,0,0,0|1,0,0]=3 10748 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [0,2,0,0,0,0|1,0,0]=3 10749 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [0,2,0,0,0,0|1,0,0]=3 10750 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [0,2,0,0,0,0|1,0,0]=3 10751 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [0,2,0,0,0,0|1,0,0]=3 10752 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [0,2,0,0,0,0|1,0,0]=3 10753 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [0,2,0,0,0,0|1,0,0]=3 10754 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [0,2,0,0,0,0|1,0,0]=3 10755 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000687738_100000764493 [0,2,0,0,0,0|1,0,1]=4 10756 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000764493_100000687738 [0,2,0,0,0,0|1,0,1]=4 10757 B10R0.22 CC(C)(O)CSCCCC=O 62a_100000764493_200011292268 [0,2,0,0,0,0|1,0,1]=4 10758 B10R0.22 CC(C)(O)CSCCCC=O 62a_200011292268_100000764493 [0,2,0,0,0,0|1,0,1]=4 10759 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [0,2,0,0,0,0|1,0,0]=3 10760 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [0,2,0,0,0,0|1,0,0]=3 10761 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [0,2,0,0,0,0|1,0,0]=3 10762 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [0,2,0,0,0,0|1,0,0]=3 10763 B10R0.22 CC(F)(F)COCCCCF 34a_100000068830_100000729493 [0,2,0,0,0,0|2,0,0]=4 10764 B10R0.22 CC(F)(F)COCCCCO 34a_100000068830_100011216708 [0,2,0,0,0,0|2,0,0]=4 10765 B10R0.22 CC/C=C\CNCC(C)(C)O 2230a_100000751335_100103147603 [0,2,0,0,0,0|0,0,2]=4 10766 B10R0.22 CC/C=C\COCC(C)(C)O 34a_100016268518_100000764493 [0,2,0,0,0,0|0,0,2]=4 10767 B10R0.22 CC/C=C\CSCC(C)(C)O 62a_100000764493_100103147603 [0,2,0,0,0,0|0,0,2]=4 10768 B10R0.22 CC/C=C\CSCC(C)(C)O 62a_100103147603_100000764493 [0,2,0,0,0,0|0,0,2]=4 10769 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000070051_100000702414 [0,2,0,0,0,0|0,0,2]=4 10770 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000702414_100000070051 [0,2,0,0,0,0|0,0,2]=4 10771 B10R0.22 CCC#CCNCC(C)(C)O 2230a_100000751335_100009813939 [0,2,0,0,0,0|0,0,2]=4 10772 B10R0.22 CCC#CCOCC(C)(C)O 34a_100000032950_100000764493 [0,2,0,0,0,0|0,0,2]=4 10773 B10R0.22 CCC#CCSCC(C)(C)O 62a_100000764493_100009813939 [0,2,0,0,0,0|0,0,2]=4 10774 B10R0.22 CCC#CCSCC(C)(C)O 62a_100009813939_100000764493 [0,2,0,0,0,0|0,0,2]=4 10775 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [0,2,0,0,0,0|1,0,0]=3 10776 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,2,0,0,0,0|1,0,1]=4 10777 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [0,2,0,0,0,0|1,0,0]=3 10778 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [0,2,0,0,0,0|1,0,0]=3 10779 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [0,2,0,0,0,0|1,0,0]=3 10780 B10R0.22 CCCCCCOC(F)(F)F 34a_100000210259_200103152311 [0,2,0,0,0,0|2,0,0]=4 10781 B10R0.22 CCCCCCOC(F)(F)F 7a_100000210259_200000243211 [0,2,0,0,0,0|2,0,0]=4 10782 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [0,2,0,0,0,0|1,0,0]=3 10783 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [0,2,0,0,0,0|1,0,0]=3 10784 B10R0.22 CCCCCCSC(F)(F)F 62a_100000210314_200103152311 [0,2,0,0,0,0|2,0,0]=4 10785 B10R0.22 CCCCCCSC(F)(F)F 62a_200000243211_100000210757 [0,2,0,0,0,0|2,0,0]=4 10786 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [0,2,0,0,0,0|1,0,0]=3 10787 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [0,2,0,0,0,0|1,0,0]=3 10788 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [0,2,0,0,0,0|1,0,0]=3 10789 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,2,0,0,0,0|0,0,0]=2 10790 B10R0.22 CCCCCNCC(F)(F)F 2230a_100000209983_100000763148 [0,2,0,0,0,0|2,0,0]=4 10791 B10R0.22 CCCCCNCC(F)(F)F 34a_100000717047_100000718602 [0,2,0,0,0,0|2,0,0]=4 10792 B10R0.22 CCCCCNC[Si](C)(C)C 2230a_100000209983_100000037933 [0,2,0,0,0,0|1,1,0]=4 10793 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [0,2,0,0,0,0|1,0,0]=3 10794 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [0,2,0,0,0,0|1,0,0]=3 10795 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [0,2,0,0,0,0|1,0,0]=3 10796 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,2,0,0,0,0|0,0,0]=2 10797 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,2,0,0,0,0|0,0,0]=2 10798 B10R0.22 CCCCCOCC(C)(F)F 34a_100000068830_100000718602 [0,2,0,0,0,0|1,0,0]=3 10799 B10R0.22 CCCCCOCC(F)(F)Br 34a_100011217949_100000718602 [0,2,0,0,0,0|2,0,0]=4 10800 B10R0.22 CCCCCOCC(F)(F)Cl 34a_100000734434_100000718602 [0,2,0,0,0,0|2,0,0]=4 10801 B10R0.22 CCCCCOCC(F)(F)F 34a_100000210435_100000718602 [0,2,0,0,0,0|2,0,0]=4 10802 B10R0.22 CCCCCOC[Si](C)(C)C 7a_100000210253_100000233785 [0,2,0,0,0,0|1,1,0]=4 10803 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [0,2,0,0,0,0|1,0,0]=3 10804 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [0,2,0,0,0,0|1,0,0]=3 10805 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [0,2,0,0,0,0|1,0,0]=3 10806 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [0,2,0,0,0,0|1,0,0]=3 10807 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,2,0,0,0,0|0,0,0]=2 10808 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,2,0,0,0,0|0,0,0]=2 10809 B10R0.22 CCCCCSCC(F)(F)F 62a_100000210326_100000763148 [0,2,0,0,0,0|2,0,0]=4 10810 B10R0.22 CCCCCSCC(F)(F)F 62a_100000763148_100000210326 [0,2,0,0,0,0|2,0,0]=4 10811 B10R0.22 CCCCCSC[N+](C)(C)C 62a_100000210326_200000036245 [0,2,0,0,0,0|2,0,0]=4 10812 B10R0.22 CCCCCSC[N+](C)(C)C 62a_200000036245_100000210326 [0,2,0,0,0,0|2,0,0]=4 10813 B10R0.22 CCCCCSC[Si](C)(C)C 62a_100000037933_100000210326 [0,2,0,0,0,0|1,1,0]=4 10814 B10R0.22 CCCCCSC[Si](C)(C)C 62a_100000210326_100000037933 [0,2,0,0,0,0|1,1,0]=4 10815 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [0,2,0,0,0,0|1,0,0]=3 10816 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [0,2,0,0,0,0|1,0,0]=3 10817 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [0,2,0,0,0,0|1,0,0]=3 10818 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [0,2,0,0,0,0|1,0,0]=3 10819 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [0,2,0,0,0,0|0,0,0]=2 10820 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [0,2,0,0,0,0|0,0,0]=2 10821 B10R0.22 CCCCNCCC(F)(F)F 2230a_100000740434_100000210211 [0,2,0,0,0,0|2,0,0]=4 10822 B10R0.22 CCCCNCCC(F)(F)F 34a_100000740434_100000210210 [0,2,0,0,0,0|2,0,0]=4 10823 B10R0.22 CCCCNCCC(F)(F)F 7a_106832991798_100011219754 [0,2,0,0,0,0|2,0,0]=4 10824 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [0,2,0,0,0,0|1,0,1]=4 10825 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [0,2,0,0,0,0|1,0,1]=4 10826 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [0,2,0,0,0,0|1,0,1]=4 10827 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [0,2,0,0,0,0|1,0,1]=4 10828 B10R0.22 CCCCNCC[N+](C)(C)C 7a_106832991798_100000085578 [0,2,0,0,0,0|2,0,0]=4 10829 B10R0.22 CCCCNCC[Si](C)(C)C 2230a_100000102301_200000733723 [0,2,0,0,0,0|1,1,0]=4 10830 B10R0.22 CCCCNCC[Si](C)(C)C 7a_106832991798_200000733723 [0,2,0,0,0,0|1,1,0]=4 10831 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [0,2,0,0,0,0|1,0,0]=3 10832 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [0,2,0,0,0,0|1,0,0]=3 10833 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [0,2,0,0,0,0|1,0,0]=3 10834 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,2,0,0,0,0|0,0,0]=2 10835 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,2,0,0,0,0|0,0,0]=2 10836 B10R0.22 CCCCOCCC(F)(F)F 34a_100000210227_100011219754 [0,2,0,0,0,0|2,0,0]=4 10837 B10R0.22 CCCCOCCC(F)(F)F 34a_100000752437_100000210210 [0,2,0,0,0,0|2,0,0]=4 10838 B10R0.22 CCCCOCCC(F)(F)F 7a_100000210227_100011219754 [0,2,0,0,0,0|2,0,0]=4 10839 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,2,0,0,0,0|1,0,1]=4 10840 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,2,0,0,0,0|1,0,1]=4 10841 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,2,0,0,0,0|1,0,1]=4 10842 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,2,0,0,0,0|1,0,1]=4 10843 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [0,2,0,0,0,0|2,0,0]=4 10844 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [0,2,0,0,0,0|2,0,0]=4 10845 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [0,2,0,0,0,0|2,0,0]=4 10846 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [0,2,0,0,0,0|1,1,0]=4 10847 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [0,2,0,0,0,0|1,1,0]=4 10848 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [0,2,0,0,0,0|1,1,0]=4 10849 B10R0.22 CCCCOCNC(C)(C)C 2230a_100000715429_100011995733 [0,2,0,0,0,0|2,0,0]=4 10850 B10R0.22 CCCCOCOC(C)(C)C 34a_100015890283_100011995733 [0,2,0,0,0,0|2,0,0]=4 10851 B10R0.22 CCCCOCSC(C)(C)C 62a_100000211941_100011995733 [0,2,0,0,0,0|2,0,0]=4 10852 B10R0.22 CCCCOCSC(C)(C)C 62a_100011995733_100000211941 [0,2,0,0,0,0|2,0,0]=4 10853 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [0,2,0,0,0,0|1,0,0]=3 10854 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [0,2,0,0,0,0|1,0,0]=3 10855 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [0,2,0,0,0,0|0,0,0]=2 10856 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [0,2,0,0,0,0|0,0,0]=2 10857 B10R0.22 CCCCSCCC(F)(F)F 62a_100000210211_100011219754 [0,2,0,0,0,0|2,0,0]=4 10858 B10R0.22 CCCCSCCC(F)(F)F 62a_100011219754_100000210210 [0,2,0,0,0,0|2,0,0]=4 10859 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [0,2,0,0,0,0|1,0,1]=4 10860 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [0,2,0,0,0,0|1,0,1]=4 10861 B10R0.22 CCCCSCC[N+](C)(C)C 62a_100000085578_100000210210 [0,2,0,0,0,0|2,0,0]=4 10862 B10R0.22 CCCCSCC[N+](C)(C)C 62a_100000210211_100000085578 [0,2,0,0,0,0|2,0,0]=4 10863 B10R0.22 CCCCSCC[Si](C)(C)C 62a_100000210211_200000733723 [0,2,0,0,0,0|1,1,0]=4 10864 B10R0.22 CCCCSCC[Si](C)(C)C 62a_200000733723_100000210210 [0,2,0,0,0,0|1,1,0]=4 10865 B10R0.22 CCCNCCCC(F)(F)F 2230a_100000727188_100000210303 [0,2,0,0,0,0|2,0,0]=4 10866 B10R0.22 CCCNCCCC(F)(F)F 34a_100000727188_100000210303 [0,2,0,0,0,0|2,0,0]=4 10867 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [0,2,0,0,0,0|1,0,1]=4 10868 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [0,2,0,0,0,0|1,0,1]=4 10869 B10R0.22 CCCNCCOC(C)(C)C 2230a_100000747557_100000210303 [0,2,0,0,0,0|2,0,0]=4 10870 B10R0.22 CCCNCCSC(C)(C)C 2230a_100000689375_100000210303 [0,2,0,0,0,0|2,0,0]=4 10871 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [0,2,0,0,0,0|0,0,0]=2 10872 B10R0.22 CCCOCCCC(F)(F)F 34a_100000210258_100011215983 [0,2,0,0,0,0|2,0,0]=4 10873 B10R0.22 CCCOCCCC(F)(F)F 34a_100000749235_100000210303 [0,2,0,0,0,0|2,0,0]=4 10874 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,2,0,0,0,0|1,0,1]=4 10875 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,2,0,0,0,0|1,0,1]=4 10876 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,2,0,0,0,0|1,0,1]=4 10877 B10R0.22 CCCOCCC[N+](C)(C)C 34a_100000210258_100016990835 [0,2,0,0,0,0|2,0,0]=4 10878 B10R0.22 CCCOCCC[Si](C)(C)C 34a_100000210258_100011219597 [0,2,0,0,0,0|1,1,0]=4 10879 B10R0.22 CCCOCCC[Si](C)(C)C 7a_200011215415_100000210303 [0,2,0,0,0,0|1,1,0]=4 10880 B10R0.22 CCCOCCNC(C)(C)C 2230a_100000715429_100011215938 [0,2,0,0,0,0|2,0,0]=4 10881 B10R0.22 CCCOCCNC(C)(C)C 34a_100161115042_100000210625 [0,2,0,0,0,0|2,0,0]=4 10882 B10R0.22 CCCOCCOC(C)(C)C 34a_100000693234_100000210303 [0,2,0,0,0,0|2,0,0]=4 10883 B10R0.22 CCCOCCOC(C)(C)C 34a_100000752267_100000210625 [0,2,0,0,0,0|2,0,0]=4 10884 B10R0.22 CCCOCCOC(C)(C)C 34a_100015890283_100011215938 [0,2,0,0,0,0|2,0,0]=4 10885 B10R0.22 CCCOCCOC(C)(C)C 7a_100000693234_100000210303 [0,2,0,0,0,0|2,0,0]=4 10886 B10R0.22 CCCOCCOC(C)(C)C 7a_100015890283_100011215938 [0,2,0,0,0,0|2,0,0]=4 10887 B10R0.22 CCCOCCSC(C)(C)C 62a_100000211941_100011215938 [0,2,0,0,0,0|2,0,0]=4 10888 B10R0.22 CCCOCCSC(C)(C)C 62a_100011215938_100000211941 [0,2,0,0,0,0|2,0,0]=4 10889 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [0,2,0,0,0,0|0,0,0]=2 10890 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [0,2,0,0,0,0|0,0,0]=2 10891 B10R0.22 CCCSCCCC(F)(F)F 62a_100000210303_100011216173 [0,2,0,0,0,0|2,0,0]=4 10892 B10R0.22 CCCSCCCC(F)(F)F 62a_100011216173_100000210303 [0,2,0,0,0,0|2,0,0]=4 10893 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [0,2,0,0,0,0|1,0,1]=4 10894 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [0,2,0,0,0,0|1,0,1]=4 10895 B10R0.22 CCCSCCC[N+](C)(C)C 62a_100000210303_100016990835 [0,2,0,0,0,0|2,0,0]=4 10896 B10R0.22 CCCSCCC[N+](C)(C)C 62a_100016990835_100000210303 [0,2,0,0,0,0|2,0,0]=4 10897 B10R0.22 CCCSCCC[Si](C)(C)C 62a_100000210303_100011219597 [0,2,0,0,0,0|1,1,0]=4 10898 B10R0.22 CCCSCCC[Si](C)(C)C 62a_100011219597_100000210303 [0,2,0,0,0,0|1,1,0]=4 10899 B10R0.22 CCCSCCOC(C)(C)C 34a_200000230433_100000210625 [0,2,0,0,0,0|2,0,0]=4 10900 B10R0.22 CCNCCCCC(F)(F)F 2230a_100015525214_100000692467 [0,2,0,0,0,0|2,0,0]=4 10901 B10R0.22 CCNCCCOC(C)(C)C 2230a_100011250582_100000210202 [0,2,0,0,0,0|2,0,0]=4 10902 B10R0.22 CCOCCCCC(F)(F)F 34a_100000749236_100000210202 [0,2,0,0,0,0|2,0,0]=4 10903 B10R0.22 CCOCCCCC(F)(F)F 34a_100121572206_100000692467 [0,2,0,0,0,0|2,0,0]=4 10904 B10R0.22 CCOCCCCC(F)(F)F 7a_100000749236_100000210202 [0,2,0,0,0,0|2,0,0]=4 10905 B10R0.22 CCOCCCC[Si](C)(C)C 7a_200009881916_100000210202 [0,2,0,0,0,0|1,1,0]=4 10906 B10R0.22 CCOCCCNC(C)(C)C 2230a_100000715429_100012232248 [0,2,0,0,0,0|2,0,0]=4 10907 B10R0.22 CCOCCCNC(C)(C)C 34a_100000210961_100000210625 [0,2,0,0,0,0|2,0,0]=4 10908 B10R0.22 CCOCCCOC(C)(C)C 34a_100000757476_100000210625 [0,2,0,0,0,0|2,0,0]=4 10909 B10R0.22 CCOCCCOC(C)(C)C 34a_100015890283_100012232248 [0,2,0,0,0,0|2,0,0]=4 10910 B10R0.22 CCOCCCOC(C)(C)C 7a_100015890283_100012232248 [0,2,0,0,0,0|2,0,0]=4 10911 B10R0.22 CCOCCCSC(C)(C)C 62a_100000211941_100012232248 [0,2,0,0,0,0|2,0,0]=4 10912 B10R0.22 CCOCCCSC(C)(C)C 62a_100012232248_100000211941 [0,2,0,0,0,0|2,0,0]=4 10913 B10R0.22 CCOCCNCC(C)(C)C 2230a_100000743828_100011215890 [0,2,0,0,0,0|2,0,0]=4 10914 B10R0.22 CCOCCNCC(C)(C)C 270004a_102516460346_100011204126 [0,2,0,0,0,0|2,0,0]=4 10915 B10R0.22 CCOCCNCC(C)(C)C 34a_102516460346_100011219605 [0,2,0,0,0,0|2,0,0]=4 10916 B10R0.22 CCOCCNCC(C)(C)F 2230a_100020643315_100011215890 [0,2,0,0,0,0|2,0,0]=4 10917 B10R0.22 CCOCCNCC(C)(C)F 34a_102516460346_100011997219 [0,2,0,0,0,0|2,0,0]=4 10918 B10R0.22 CCOCCNCC(C)(C)O 2230a_100000751335_100011215890 [0,2,0,0,0,0|1,0,0]=3 10919 B10R0.22 CCOCCNCC(C)(C)O 34a_102516460346_100000764493 [0,2,0,0,0,0|1,0,0]=3 10920 B10R0.22 CCOCCOCC(C)(C)C 34a_100000210136_100011219605 [0,2,0,0,0,0|2,0,0]=4 10921 B10R0.22 CCOCCOCC(C)(C)F 34a_100000210136_100011997219 [0,2,0,0,0,0|2,0,0]=4 10922 B10R0.22 CCOCCOCC(C)(C)F 34a_100000716592_100000210147 [0,2,0,0,0,0|2,0,0]=4 10923 B10R0.22 CCOCCOCC(C)(C)O 34a_100000210136_100000764493 [0,2,0,0,0,0|1,0,0]=3 10924 B10R0.22 CCOCCOCC(C)(C)O 7a_100000210136_100000764493 [0,2,0,0,0,0|1,0,0]=3 10925 B10R0.22 CCOCCOCC(C)(F)F 34a_100000068830_100000210147 [0,2,0,0,0,0|2,0,0]=4 10926 B10R0.22 CCOCCSCC(C)(C)C 62a_100000210147_100011219605 [0,2,0,0,0,0|2,0,0]=4 10927 B10R0.22 CCOCCSCC(C)(C)C 62a_100011219605_100011215890 [0,2,0,0,0,0|2,0,0]=4 10928 B10R0.22 CCOCCSCC(C)(C)F 62a_100000210147_100011997219 [0,2,0,0,0,0|2,0,0]=4 10929 B10R0.22 CCOCCSCC(C)(C)F 62a_100011997219_100011215890 [0,2,0,0,0,0|2,0,0]=4 10930 B10R0.22 CCOCCSCC(C)(C)O 62a_100000210147_100000764493 [0,2,0,0,0,0|1,0,0]=3 10931 B10R0.22 CCOCCSCC(C)(C)O 62a_100000764493_100011215890 [0,2,0,0,0,0|1,0,0]=3 10932 B10R0.22 CCOCSCCC(C)(C)C 62a_100000739092_100000755188 [0,2,0,0,0,0|2,0,0]=4 10933 B10R0.22 CCOCSCCC(C)(C)C 62a_100000755188_100000739092 [0,2,0,0,0,0|2,0,0]=4 10934 B10R0.22 CCOCSCCC(C)(C)O 62a_100000702414_100000739092 [0,2,0,0,0,0|1,0,0]=3 10935 B10R0.22 CCOCSCCC(C)(C)O 62a_100000739092_100000702414 [0,2,0,0,0,0|1,0,0]=3 10936 B10R0.22 CCSCCCCC(F)(F)F 62a_100000210202_100000692467 [0,2,0,0,0,0|2,0,0]=4 10937 B10R0.22 CCSCCCCC(F)(F)F 62a_100000692467_100000210202 [0,2,0,0,0,0|2,0,0]=4 10938 B10R0.22 CCSCCCOC(C)(C)C 34a_100011216438_100000210625 [0,2,0,0,0,0|2,0,0]=4 10939 B10R0.22 CCSCCNCC(C)(C)C 2230a_100000743828_100000757381 [0,2,0,0,0,0|2,0,0]=4 10940 B10R0.22 CCSCCNCC(C)(C)C 270004a_100000106463_100011204126 [0,2,0,0,0,0|2,0,0]=4 10941 B10R0.22 CCSCCNCC(C)(C)F 2230a_100020643315_100000757381 [0,2,0,0,0,0|2,0,0]=4 10942 B10R0.22 CCSCCNCC(C)(C)O 2230a_100000751335_100000757381 [0,2,0,0,0,0|1,0,0]=3 10943 B10R0.22 CCSCCOCC(C)(C)C 34a_100000212035_100011219605 [0,2,0,0,0,0|2,0,0]=4 10944 B10R0.22 CCSCCOCC(C)(C)F 34a_100000212035_100011997219 [0,2,0,0,0,0|2,0,0]=4 10945 B10R0.22 CCSCCOCC(C)(C)F 34a_100000716592_100000757381 [0,2,0,0,0,0|2,0,0]=4 10946 B10R0.22 CCSCCOCC(C)(C)O 34a_100000212035_100000764493 [0,2,0,0,0,0|1,0,0]=3 10947 B10R0.22 CCSCCOCC(C)(C)O 7a_100000212035_100000764493 [0,2,0,0,0,0|1,0,0]=3 10948 B10R0.22 CCSCCOCC(C)(F)F 34a_100000068830_100000757381 [0,2,0,0,0,0|2,0,0]=4 10949 B10R0.22 CCSCCSCC(C)(C)C 62a_100000757381_100011219605 [0,2,0,0,0,0|2,0,0]=4 10950 B10R0.22 CCSCCSCC(C)(C)C 62a_100011219605_100000757381 [0,2,0,0,0,0|2,0,0]=4 10951 B10R0.22 CCSCCSCC(C)(C)F 62a_100000757381_100011997219 [0,2,0,0,0,0|2,0,0]=4 10952 B10R0.22 CCSCCSCC(C)(C)F 62a_100011997219_100000757381 [0,2,0,0,0,0|2,0,0]=4 10953 B10R0.22 CCSCCSCC(C)(C)O 62a_100000757381_100000764493 [0,2,0,0,0,0|1,0,0]=3 10954 B10R0.22 CCSCCSCC(C)(C)O 62a_100000764493_100000757381 [0,2,0,0,0,0|1,0,0]=3 10955 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,2,0,0,0,0|0,0,0]=2 10956 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,2,0,0,0,0|0,0,0]=2 10957 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,2,0,0,0,0|0,0,0]=2 10958 B10R0.22 CNCCCCCC(F)(F)F 2230a_106832991635_100010187589 [0,2,0,0,0,0|2,0,0]=4 10959 B10R0.22 CNCCCCCC(F)(F)F 34a_100102657272_100010187589 [0,2,0,0,0,0|2,0,0]=4 10960 B10R0.22 CNCCCCCC(F)(F)F 7a_106832991635_100010187589 [0,2,0,0,0,0|2,0,0]=4 10961 B10R0.22 CNCCCCC[N+](C)(C)C 2230a_106832991635_100009813293 [0,2,0,0,0,0|2,0,0]=4 10962 B10R0.22 CNCCCCC[N+](C)(C)C 34a_100102657272_100009813293 [0,2,0,0,0,0|2,0,0]=4 10963 B10R0.22 CNCCCCC[N+](C)(C)C 7a_106832991635_100009813293 [0,2,0,0,0,0|2,0,0]=4 10964 B10R0.22 CNCCCOCC(C)(C)C 34a_100000213112_100011219605 [0,2,0,0,0,0|2,0,0]=4 10965 B10R0.22 CNCCCOCC(C)(C)F 34a_100000213112_100011997219 [0,2,0,0,0,0|2,0,0]=4 10966 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [0,2,0,0,0,0|1,0,0]=3 10967 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,2,0,0,0,0|0,0,0]=2 10968 B10R0.22 COCCCCCC(F)(F)F 34a_100138415774_100010187589 [0,2,0,0,0,0|2,0,0]=4 10969 B10R0.22 COCCCCC[N+](C)(C)C 34a_100138415774_100009813293 [0,2,0,0,0,0|2,0,0]=4 10970 B10R0.22 COCCCCNC(C)(C)C 2230a_100000715429_100000730899 [0,2,0,0,0,0|2,0,0]=4 10971 B10R0.22 COCCCCOC(C)(C)C 34a_100000740925_100000210625 [0,2,0,0,0,0|2,0,0]=4 10972 B10R0.22 COCCCCOC(C)(C)C 34a_100015890283_100000755781 [0,2,0,0,0,0|2,0,0]=4 10973 B10R0.22 COCCCCOC(C)(C)C 7a_100015890283_100000730899 [0,2,0,0,0,0|2,0,0]=4 10974 B10R0.22 COCCCCSC(C)(C)C 62a_100000211941_100000730899 [0,2,0,0,0,0|2,0,0]=4 10975 B10R0.22 COCCCCSC(C)(C)C 62a_100000730899_100000211941 [0,2,0,0,0,0|2,0,0]=4 10976 B10R0.22 COCCCNCC(C)(C)C 2230a_100000743828_100000740836 [0,2,0,0,0,0|2,0,0]=4 10977 B10R0.22 COCCCNCC(C)(C)C 270004a_100150723488_100011204126 [0,2,0,0,0,0|2,0,0]=4 10978 B10R0.22 COCCCNCC(C)(C)C 34a_100150723488_100011219605 [0,2,0,0,0,0|2,0,0]=4 10979 B10R0.22 COCCCNCC(C)(C)F 2230a_100020643315_100000740836 [0,2,0,0,0,0|2,0,0]=4 10980 B10R0.22 COCCCNCC(C)(C)F 34a_100150723488_100011997219 [0,2,0,0,0,0|2,0,0]=4 10981 B10R0.22 COCCCNCC(C)(C)O 2230a_100000751335_100000740836 [0,2,0,0,0,0|1,0,0]=3 10982 B10R0.22 COCCCNCC(C)(C)O 34a_100150723488_100000764493 [0,2,0,0,0,0|1,0,0]=3 10983 B10R0.22 COCCCOCC(C)(C)C 34a_100000740835_100011219605 [0,2,0,0,0,0|2,0,0]=4 10984 B10R0.22 COCCCOCC(C)(C)F 34a_100000716592_100000740836 [0,2,0,0,0,0|2,0,0]=4 10985 B10R0.22 COCCCOCC(C)(C)F 34a_100000740835_100011997219 [0,2,0,0,0,0|2,0,0]=4 10986 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [0,2,0,0,0,0|1,0,0]=3 10987 B10R0.22 COCCCOCC(C)(F)F 34a_100000068830_100000740836 [0,2,0,0,0,0|2,0,0]=4 10988 B10R0.22 COCCCSCC(C)(C)C 62a_100000709357_100011219605 [0,2,0,0,0,0|2,0,0]=4 10989 B10R0.22 COCCCSCC(C)(C)C 62a_100011219605_100000709357 [0,2,0,0,0,0|2,0,0]=4 10990 B10R0.22 COCCCSCC(C)(C)F 62a_100000709357_100011997219 [0,2,0,0,0,0|2,0,0]=4 10991 B10R0.22 COCCCSCC(C)(C)F 62a_100011997219_100000709357 [0,2,0,0,0,0|2,0,0]=4 10992 B10R0.22 COCCCSCC(C)(C)O 62a_100000709357_100000764493 [0,2,0,0,0,0|1,0,0]=3 10993 B10R0.22 COCCCSCC(C)(C)O 62a_100000764493_100000709357 [0,2,0,0,0,0|1,0,0]=3 10994 B10R0.22 COCCNCCC(C)(C)C 2230a_100000209980_100000755188 [0,2,0,0,0,0|2,0,0]=4 10995 B10R0.22 COCCNCCC(C)(C)C 2230a_100000738805_100011201679 [0,2,0,0,0,0|2,0,0]=4 10996 B10R0.22 COCCNCCC(C)(C)F 2230a_100016253952_100011201679 [0,2,0,0,0,0|2,0,0]=4 10997 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [0,2,0,0,0,0|1,0,0]=3 10998 B10R0.22 COCCOCCC(C)(C)C 34a_100000210237_100000755188 [0,2,0,0,0,0|2,0,0]=4 10999 B10R0.22 COCCOCCC(C)(C)C 7a_100000765024_100000233755 [0,2,0,0,0,0|2,0,0]=4 11000 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [0,2,0,0,0,0|1,0,0]=3 11001 B10R0.22 COCCSCCC(C)(C)C 62a_100000233755_100000755188 [0,2,0,0,0,0|2,0,0]=4 11002 B10R0.22 COCCSCCC(C)(C)C 62a_100000755188_100000233755 [0,2,0,0,0,0|2,0,0]=4 11003 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [0,2,0,0,0,0|1,0,0]=3 11004 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [0,2,0,0,0,0|1,0,0]=3 11005 B10R0.22 COCSCCCC(C)(C)O 62a_100000766300_100009888830 [0,2,0,0,0,0|1,0,0]=3 11006 B10R0.22 COCSCCCC(C)(C)O 62a_100009888830_100000766300 [0,2,0,0,0,0|1,0,0]=3 11007 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,2,0,0,0,0|0,0,0]=2 11008 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,2,0,0,0,0|0,0,0]=2 11009 B10R0.22 CSCCCCCC(F)(F)F 62a_100010187589_200000210301 [0,2,0,0,0,0|2,0,0]=4 11010 B10R0.22 CSCCCCCC(F)(F)F 62a_200000210301_100010187589 [0,2,0,0,0,0|2,0,0]=4 11011 B10R0.22 CSCCCCC[N+](C)(C)C 62a_100009813293_200000210301 [0,2,0,0,0,0|2,0,0]=4 11012 B10R0.22 CSCCCCC[N+](C)(C)C 62a_200000210301_100009813293 [0,2,0,0,0,0|2,0,0]=4 11013 B10R0.22 CSCCCCOC(C)(C)C 34a_100011217163_100000210625 [0,2,0,0,0,0|2,0,0]=4 11014 B10R0.22 CSCCCNCC(C)(C)C 270004a_100000749238_100011204126 [0,2,0,0,0,0|2,0,0]=4 11015 B10R0.22 CSCCCOCC(C)(C)C 34a_100000690336_100011219605 [0,2,0,0,0,0|2,0,0]=4 11016 B10R0.22 CSCCCOCC(C)(C)F 34a_100000690336_100011997219 [0,2,0,0,0,0|2,0,0]=4 11017 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [0,2,0,0,0,0|1,0,0]=3 11018 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [0,2,0,0,0,0|1,0,0]=3 11019 B10R0.22 CSCCNCCC(C)(C)C 2230a_100000738805_100000751147 [0,2,0,0,0,0|2,0,0]=4 11020 B10R0.22 CSCCNCCC(C)(C)C 2230a_100020590264_100000755188 [0,2,0,0,0,0|2,0,0]=4 11021 B10R0.22 CSCCNCCC(C)(C)F 2230a_100016253952_100000751147 [0,2,0,0,0,0|2,0,0]=4 11022 B10R0.22 CSCCNCCC(C)(C)O 2230a_100020590264_100000702414 [0,2,0,0,0,0|1,0,0]=3 11023 B10R0.22 CSCCOCCC(C)(C)C 34a_100000230434_100000755188 [0,2,0,0,0,0|2,0,0]=4 11024 B10R0.22 CSCCOCCC(C)(C)C 7a_100000230434_100000755188 [0,2,0,0,0,0|2,0,0]=4 11025 B10R0.22 CSCCOCCC(C)(C)C 7a_100000765024_100000212216 [0,2,0,0,0,0|2,0,0]=4 11026 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [0,2,0,0,0,0|1,0,0]=3 11027 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [0,2,0,0,0,0|1,0,0]=3 11028 B10R0.22 CSCCSCCC(C)(C)C 62a_100000212216_100000755188 [0,2,0,0,0,0|2,0,0]=4 11029 B10R0.22 CSCCSCCC(C)(C)C 62a_100000755188_100000751147 [0,2,0,0,0,0|2,0,0]=4 11030 B10R0.22 CSCCSCCC(C)(C)O 62a_100000212216_100000702414 [0,2,0,0,0,0|1,0,0]=3 11031 B10R0.22 CSCCSCCC(C)(C)O 62a_100000702414_100000751147 [0,2,0,0,0,0|1,0,0]=3 11032 B10R0.22 CSCSCCCC(C)(C)O 62a_100009888830_100011218213 [0,2,0,0,0,0|1,0,0]=3 11033 B10R0.22 CSCSCCCC(C)(C)O 62a_100011218213_100009888830 [0,2,0,0,0,0|1,0,0]=3 11034 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_100009813293_200025704644 [0,2,0,0,0,0|2,0,0]=4 11035 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_200025704644_100009813293 [0,2,0,0,0,0|2,0,0]=4 11036 B10R0.22 [13CH3]SCCCCCC(F)(F)F 62a_100010187589_200025704644 [0,2,0,0,0,0|2,0,0]=4 11037 B10R0.22 [13CH3]SCCCCCC(F)(F)F 62a_200025704644_100010187589 [0,2,0,0,0,0|2,0,0]=4 11038 B10R0.55 C#CC(C)NCCCC(C)C 2230a_100000707721_100011214892 [0,2,0,0,0,0|2,0,0]=4 11039 B10R0.55 C#CC(C)NCCCC(C)C 34a_100000707721_100011214892 [0,2,0,0,0,0|2,0,0]=4 11040 B10R0.55 C#CC(C)NCCCC(C)C 34a_200000737386_200000035995 [0,2,0,0,0,0|2,0,0]=4 11041 B10R0.55 C#CC(C)NCCCC(C)O 2230a_100000707721_200000718107 [0,2,0,0,0,0|1,0,0]=3 11042 B10R0.55 C#CC(C)NCCCC(C)O 34a_100000707721_200000718107 [0,2,0,0,0,0|1,0,0]=3 11043 B10R0.55 C#CC(C)OCCCC(C)C 34a_100000210774_200000035995 [0,2,0,0,0,0|2,0,0]=4 11044 B10R0.55 C#CC(C)SCCCC(C)C 62a_200000035995_100011214892 [0,2,0,0,0,0|2,0,0]=4 11045 B10R0.55 C#CC(C)SCCCC(C)O 62a_200000035995_200000718107 [0,2,0,0,0,0|1,0,0]=3 11046 B10R0.55 C#C[C@@H](C)OCCCC(C)C 34a_100009815206_100011214892 [0,2,0,0,0,0|2,0,0]=4 11047 B10R0.55 C#C[C@@H](C)OCCCC(C)C 7a_100009815206_100011214892 [0,2,0,0,0,0|2,0,0]=4 11048 B10R0.55 C#C[C@@H](C)OCCCC(C)O 34a_100009815206_200000718107 [0,2,0,0,0,0|1,0,0]=3 11049 B10R0.55 C#C[C@@H](C)OCCCC(C)O 7a_100009815206_200000718107 [0,2,0,0,0,0|1,0,0]=3 11050 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,2,0,0,0,0|1,0,1]=4 11051 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,2,0,0,0,0|1,0,1]=4 11052 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,2,0,0,0,0|1,0,1]=4 11053 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,2,0,0,0,0|1,0,1]=4 11054 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,2,0,0,0,0|1,0,1]=4 11055 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,2,0,0,0,0|1,0,1]=4 11056 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,2,0,0,0,0|1,0,1]=4 11057 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,2,0,0,0,0|1,0,1]=4 11058 B10R0.55 C=C(C)CCOCC(O)CO 34a_100000764851_100011219619 [0,2,0,0,0,0|1,0,1]=4 11059 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,2,0,0,0,0|1,0,1]=4 11060 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,2,0,0,0,0|1,0,1]=4 11061 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,2,0,0,0,0|1,0,1]=4 11062 B10R0.55 C=C(C)CCOC[C@@H](O)CF 34a_100000764851_100015614560 [0,2,0,0,0,0|1,0,1]=4 11063 B10R0.55 C=C(C)CCOC[C@@H](O)CO 34a_100000764851_100009815848 [0,2,0,0,0,0|1,0,1]=4 11064 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,2,0,0,0,0|1,0,1]=4 11065 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,2,0,0,0,0|1,0,1]=4 11066 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,2,0,0,0,0|1,0,1]=4 11067 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,2,0,0,0,0|1,0,1]=4 11068 B10R0.55 C=C(C)CCSCC(O)CO 62a_100000730704_100011219619 [0,2,0,0,0,0|1,0,1]=4 11069 B10R0.55 C=C(C)CCSCC(O)CO 62a_100011219619_100000730704 [0,2,0,0,0,0|1,0,1]=4 11070 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,2,0,0,0,0|1,0,1]=4 11071 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,2,0,0,0,0|1,0,1]=4 11072 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,2,0,0,0,0|1,0,1]=4 11073 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,2,0,0,0,0|1,0,1]=4 11074 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100000730704_100015614560 [0,2,0,0,0,0|1,0,1]=4 11075 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100015614560_100000730704 [0,2,0,0,0,0|1,0,1]=4 11076 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100000730704_100009815848 [0,2,0,0,0,0|1,0,1]=4 11077 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100009815848_100000730704 [0,2,0,0,0,0|1,0,1]=4 11078 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,2,0,0,0,0|1,0,1]=4 11079 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,2,0,0,0,0|1,0,1]=4 11080 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,2,0,0,0,0|1,0,1]=4 11081 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,2,0,0,0,0|1,0,1]=4 11082 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,2,0,0,0,0|1,0,1]=4 11083 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,2,0,0,0,0|2,0,0]=4 11084 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,2,0,0,0,0|2,0,0]=4 11085 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [0,2,0,0,0,0|1,0,0]=3 11086 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [0,2,0,0,0,0|1,0,0]=3 11087 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,2,0,0,0,0|2,0,0]=4 11088 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [0,2,0,0,0,0|1,0,0]=3 11089 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [0,2,0,0,0,0|2,0,0]=4 11090 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [0,2,0,0,0,0|1,0,0]=3 11091 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,2,0,0,0,0|0,0,2]=4 11092 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,2,0,0,0,0|1,0,1]=4 11093 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,2,0,0,0,0|1,0,1]=4 11094 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,2,0,0,0,0|1,0,1]=4 11095 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,2,0,0,0,0|1,0,1]=4 11096 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,2,0,0,0,0|1,0,1]=4 11097 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,2,0,0,0,0|1,0,1]=4 11098 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,2,0,0,0,0|0,0,2]=4 11099 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,2,0,0,0,0|0,0,2]=4 11100 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,2,0,0,0,0|0,0,2]=4 11101 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,2,0,0,0,0|1,0,1]=4 11102 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,2,0,0,0,0|1,0,1]=4 11103 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,2,0,0,0,0|1,0,1]=4 11104 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,2,0,0,0,0|1,0,1]=4 11105 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,2,0,0,0,0|1,0,1]=4 11106 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|1,0,1]=4 11107 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|1,0,1]=4 11108 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,2,0,0,0,0|1,0,1]=4 11109 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,2,0,0,0,0|1,0,1]=4 11110 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,2,0,0,0,0|1,0,1]=4 11111 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,2,0,0,0,0|1,0,1]=4 11112 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|1,0,1]=4 11113 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|1,0,1]=4 11114 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|1,0,1]=4 11115 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|1,0,1]=4 11116 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,2,0,0,0,0|1,0,1]=4 11117 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,2,0,0,0,0|1,0,1]=4 11118 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,2,0,0,0,0|1,0,1]=4 11119 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,2,0,0,0,0|1,0,1]=4 11120 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|1,0,1]=4 11121 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|1,0,1]=4 11122 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,2,0,0,0,0|1,0,0]=3 11123 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [0,2,0,0,0,0|1,0,0]=3 11124 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [0,2,0,0,0,0|1,0,0]=3 11125 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,2,0,0,0,0|1,0,0]=3 11126 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|0,0,2]=4 11127 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|0,0,2]=4 11128 B10R0.55 CC(C)CCCNC(C)C#N 2230a_100000737613_100011214892 [0,2,0,0,0,0|2,0,0]=4 11129 B10R0.55 CC(C)CCCNC(C)C#N 2230a_200000737386_100000184139 [0,2,0,0,0,0|2,0,0]=4 11130 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,2,0,0,0,0|1,0,0]=3 11131 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,2,0,0,0,0|1,0,0]=3 11132 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,2,0,0,0,0|1,0,0]=3 11133 B10R0.55 CC(C)CCCOC(C)C#N 34a_100011218135_100011214892 [0,2,0,0,0,0|2,0,0]=4 11134 B10R0.55 CC(C)CCCOC(C)C#N 7a_100000210774_100000703298 [0,2,0,0,0,0|2,0,0]=4 11135 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,2,0,0,0,0|2,0,0]=4 11136 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,2,0,0,0,0|2,0,0]=4 11137 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,2,0,0,0,0|2,0,0]=4 11138 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,2,0,0,0,0|1,0,0]=3 11139 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,2,0,0,0,0|1,0,0]=3 11140 B10R0.55 CC(C)CCCSC(C)C#N 62a_100000703298_100011214892 [0,2,0,0,0,0|2,0,0]=4 11141 B10R0.55 CC(C)CCCSC(C)C#N 62a_100011214892_100000703298 [0,2,0,0,0,0|2,0,0]=4 11142 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,2,0,0,0,0|1,0,0]=3 11143 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,2,0,0,0,0|1,0,0]=3 11144 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,2,0,0,0,0|1,0,0]=3 11145 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,2,0,0,0,0|1,0,0]=3 11146 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,2,0,0,0,0|1,0,0]=3 11147 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,2,0,0,0,0|2,0,0]=4 11148 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,2,0,0,0,0|2,0,0]=4 11149 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,2,0,0,0,0|1,0,0]=3 11150 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,2,0,0,0,0|1,0,0]=3 11151 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,2,0,0,0,0|2,0,0]=4 11152 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,2,0,0,0,0|2,0,0]=4 11153 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,2,0,0,0,0|1,0,0]=3 11154 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,2,0,0,0,0|1,0,0]=3 11155 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,2,0,0,0,0|1,0,0]=3 11156 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,2,0,0,0,0|1,0,0]=3 11157 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,2,0,0,0,0|1,0,0]=3 11158 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,2,0,0,0,0|1,0,0]=3 11159 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,2,0,0,0,0|1,0,0]=3 11160 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,2,0,0,0,0|1,0,0]=3 11161 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,2,0,0,0,0|2,0,0]=4 11162 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,2,0,0,0,0|1,0,0]=3 11163 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,2,0,0,0,0|1,0,0]=3 11164 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,2,0,0,0,0|1,0,0]=3 11165 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,2,0,0,0,0|1,0,0]=3 11166 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,2,0,0,0,0|1,0,0]=3 11167 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,2,0,0,0,0|1,0,0]=3 11168 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,2,0,0,0,0|1,0,0]=3 11169 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,2,0,0,0,0|1,0,0]=3 11170 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,2,0,0,0,0|1,0,0]=3 11171 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,2,0,0,0,0|1,0,0]=3 11172 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,2,0,0,0,0|1,0,0]=3 11173 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [0,2,0,0,0,0|2,0,0]=4 11174 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [0,2,0,0,0,0|2,0,0]=4 11175 B10R0.55 CC(C)OCCN[C@H](C)CO 2230a_100000737577_100000211751 [0,2,0,0,0,0|2,0,0]=4 11176 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [0,2,0,0,0,0|2,0,0]=4 11177 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [0,2,0,0,0,0|2,0,0]=4 11178 B10R0.55 CC(C)OCCSC(C)CO 62a_100012180447_100000211751 [0,2,0,0,0,0|2,0,0]=4 11179 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100000211751_100016084084 [0,2,0,0,0,0|2,0,0]=4 11180 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100016084084_100000211751 [0,2,0,0,0,0|2,0,0]=4 11181 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [0,2,0,0,0,0|2,0,0]=4 11182 B10R0.55 CC(C)OCSCC(O)CO 62a_100000709892_100011219619 [0,2,0,0,0,0|2,0,0]=4 11183 B10R0.55 CC(C)OCSCC(O)CO 62a_100011219619_100000709892 [0,2,0,0,0,0|2,0,0]=4 11184 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000059175_100000709892 [0,2,0,0,0,0|2,0,0]=4 11185 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000709892_100000059175 [0,2,0,0,0,0|2,0,0]=4 11186 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100000709892_100015614560 [0,2,0,0,0,0|2,0,0]=4 11187 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100015614560_100000709892 [0,2,0,0,0,0|2,0,0]=4 11188 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100000709892_100009815848 [0,2,0,0,0,0|2,0,0]=4 11189 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100009815848_100000709892 [0,2,0,0,0,0|2,0,0]=4 11190 B10R0.55 CC(C)SCCN[C@H](C)CO 2230a_100000737577_100000730970 [0,2,0,0,0,0|2,0,0]=4 11191 B10R0.55 CC(C)SCCSC(C)CO 62a_100012180447_100000730970 [0,2,0,0,0,0|2,0,0]=4 11192 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100000730970_100016084084 [0,2,0,0,0,0|2,0,0]=4 11193 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100016084084_100000730970 [0,2,0,0,0,0|2,0,0]=4 11194 B10R0.55 CC(CO)CCNCC(F)F 2230a_106354213184_100011934356 [0,2,0,0,0,0|2,0,0]=4 11195 B10R0.55 CC(CO)CCNCC(F)F 34a_106354213184_100011934356 [0,2,0,0,0,0|2,0,0]=4 11196 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,2,0,0,0,0|1,0,0]=3 11197 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,2,0,0,0,0|1,0,0]=3 11198 B10R0.55 CC(CO)CNCOC(C)C 34a_100000744482_100000709892 [0,2,0,0,0,0|2,0,0]=4 11199 B10R0.55 CC(CO)NCCCS(=O)C 2230a_200000753449_100012180447 [0,2,0,0,0,0|2,0,0]=4 11200 B10R0.55 CC(CO)NCCOC(C)C 2230a_100000701111_100012180447 [0,2,0,0,0,0|2,0,0]=4 11201 B10R0.55 CC(CO)NCCOC(C)C 34a_100000701111_100012180447 [0,2,0,0,0,0|2,0,0]=4 11202 B10R0.55 CC(CO)NCCSC(C)C 2230a_100000731138_100012180447 [0,2,0,0,0,0|2,0,0]=4 11203 B10R0.55 CC(CO)NCCSC(C)C 34a_100000731138_100012180447 [0,2,0,0,0,0|2,0,0]=4 11204 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [0,2,0,0,0,0|2,0,0]=4 11205 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [0,2,0,0,0,0|2,0,0]=4 11206 B10R0.55 CC(CO)SCCCN(C)C 62a_100012180447_100000757444 [0,2,0,0,0,0|2,0,0]=4 11207 B10R0.55 CC(O)CCCNC(C)C#N 2230a_100000737613_200000718107 [0,2,0,0,0,0|1,0,0]=3 11208 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,2,0,0,0,0|1,0,0]=3 11209 B10R0.55 CC(O)CCCOC(C)C#N 34a_100011218135_200000718107 [0,2,0,0,0,0|1,0,0]=3 11210 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,2,0,0,0,0|1,0,0]=3 11211 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,2,0,0,0,0|1,0,0]=3 11212 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,2,0,0,0,0|1,0,0]=3 11213 B10R0.55 CC(O)CCCSC(C)C#N 62a_100000703298_200000718107 [0,2,0,0,0,0|1,0,0]=3 11214 B10R0.55 CC(O)CCCSC(C)C#N 62a_200000718107_100000703298 [0,2,0,0,0,0|1,0,0]=3 11215 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,2,0,0,0,0|1,0,0]=3 11216 B10R0.55 CC(O)CCCSC(F)C#N 62a_200000117898_200000718107 [0,2,0,0,0,0|1,0,1]=4 11217 B10R0.55 CC(O)CCCSC(F)C#N 62a_200000718107_200000117898 [0,2,0,0,0,0|1,0,1]=4 11218 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,2,0,0,0,0|1,0,0]=3 11219 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,2,0,0,0,0|1,0,0]=3 11220 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,2,0,0,0,0|1,0,0]=3 11221 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,2,0,0,0,0|1,0,0]=3 11222 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,2,0,0,0,0|1,0,0]=3 11223 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [0,2,0,0,0,0|1,0,0]=3 11224 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,2,0,0,0,0|1,0,0]=3 11225 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,2,0,0,0,0|1,0,0]=3 11226 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,2,0,0,0,0|1,0,0]=3 11227 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,2,0,0,0,0|1,0,0]=3 11228 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [0,2,0,0,0,0|1,0,0]=3 11229 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [0,2,0,0,0,0|1,0,0]=3 11230 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,2,0,0,0,0|1,0,0]=3 11231 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,2,0,0,0,0|1,0,0]=3 11232 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,2,0,0,0,0|1,0,0]=3 11233 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,2,0,0,0,0|1,0,0]=3 11234 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,2,0,0,0,0|1,0,0]=3 11235 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,2,0,0,0,0|1,0,0]=3 11236 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,2,0,0,0,0|1,0,0]=3 11237 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,2,0,0,0,0|1,0,0]=3 11238 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,2,0,0,0,0|1,0,0]=3 11239 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,2,0,0,0,0|1,0,0]=3 11240 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,2,0,0,0,0|2,0,0]=4 11241 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|0,0,2]=4 11242 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|1,0,0]=3 11243 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|1,0,0]=3 11244 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|1,0,1]=4 11245 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|1,0,1]=4 11246 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|0,0,1]=3 11247 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|1,0,1]=4 11248 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|1,0,1]=4 11249 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|0,0,1]=3 11250 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|0,0,1]=3 11251 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 11252 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 11253 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 11254 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|1,0,1]=4 11255 B10R0.55 CCC(C)C=NNCC(C)O 4a_200000730056_100000243153 [0,2,0,0,0,0|1,0,1]=4 11256 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,2,0,0,0,0|1,0,0]=3 11257 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,2,0,0,0,0|1,0,0]=3 11258 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,2,0,0,0,0|1,0,0]=3 11259 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|0,0,0]=2 11260 B10R0.55 CCC(C)CCNCC(F)F 2230a_100020591266_100011934356 [0,2,0,0,0,0|2,0,0]=4 11261 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|0,0,0]=2 11262 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,2,0,0,0,0|1,0,0]=3 11263 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|0,0,0]=2 11264 B10R0.55 CCC(C)CCOCC(F)F 7a_100011215188_100011934356 [0,2,0,0,0,0|2,0,0]=4 11265 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|0,0,0]=2 11266 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,2,0,0,0,0|1,0,0]=3 11267 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,2,0,0,0,0|1,0,0]=3 11268 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,2,0,0,0,0|1,0,0]=3 11269 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,2,0,0,0,0|0,0,0]=2 11270 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,2,0,0,0,0|0,0,0]=2 11271 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,2,0,0,0,0|0,0,0]=2 11272 B10R0.55 CCC(C)CNCCN(C)C 270004a_100000210585_100000243153 [0,2,0,0,0,0|2,0,0]=4 11273 B10R0.55 CCC(C)CNCOC(C)C 2230a_100020588543_100000709892 [0,2,0,0,0,0|2,0,0]=4 11274 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|0,0,2]=4 11275 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|0,0,2]=4 11276 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,2,0,0,0,0|1,0,0]=3 11277 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,2,0,0,0,0|1,0,0]=3 11278 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,2,0,0,0,0|1,0,0]=3 11279 B10R0.55 CCC(C)COCCC(F)F 34a_100103093639_100000748023 [0,2,0,0,0,0|2,0,0]=4 11280 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,2,0,0,0,0|1,0,0]=3 11281 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|0,0,2]=4 11282 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|0,0,2]=4 11283 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,2,0,0,0,0|1,0,0]=3 11284 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,2,0,0,0,0|1,0,0]=3 11285 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,2,0,0,0,0|0,0,0]=2 11286 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,2,0,0,0,0|0,0,0]=2 11287 B10R0.55 CCC(C)CSCCN(C)C 62a_100000748023_100000755713 [0,2,0,0,0,0|2,0,0]=4 11288 B10R0.55 CCC(C)CSCOC(C)C 62a_100000709892_100000748023 [0,2,0,0,0,0|2,0,0]=4 11289 B10R0.55 CCC(C)CSCOC(C)C 62a_100000748023_100000709892 [0,2,0,0,0,0|2,0,0]=4 11290 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,2,0,0,0,0|1,0,0]=3 11291 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,2,0,0,0,0|1,0,0]=3 11292 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,2,0,0,0,0|1,0,0]=3 11293 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,2,0,0,0,0|0,0,0]=2 11294 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,2,0,0,0,0|1,0,1]=4 11295 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000209981_100000211751 [0,2,0,0,0,0|2,0,0]=4 11296 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000701111_100000758301 [0,2,0,0,0,0|2,0,0]=4 11297 B10R0.55 CCC(C)NCCOC(C)C 34a_100000701111_100011215416 [0,2,0,0,0,0|2,0,0]=4 11298 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000209981_100000730970 [0,2,0,0,0,0|2,0,0]=4 11299 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000731138_100000758301 [0,2,0,0,0,0|2,0,0]=4 11300 B10R0.55 CCC(C)NCCSC(C)C 34a_100000731138_100011215416 [0,2,0,0,0,0|2,0,0]=4 11301 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|0,0,2]=4 11302 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|0,0,2]=4 11303 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|0,0,2]=4 11304 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,2,0,0,0,0|1,0,0]=3 11305 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,2,0,0,0,0|1,0,0]=3 11306 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,2,0,0,0,0|1,0,0]=3 11307 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,2,0,0,0,0|0,0,0]=2 11308 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [0,2,0,0,0,0|2,0,0]=4 11309 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [0,2,0,0,0,0|2,0,0]=4 11310 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,2,0,0,0,0|2,0,0]=4 11311 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,2,0,0,0,0|2,0,0]=4 11312 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,2,0,0,0,0|2,0,0]=4 11313 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [0,2,0,0,0,0|2,0,0]=4 11314 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [0,2,0,0,0,0|2,0,0]=4 11315 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [0,2,0,0,0,0|2,0,0]=4 11316 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|0,0,2]=4 11317 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|0,0,2]=4 11318 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,2,0,0,0,0|1,0,0]=3 11319 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,2,0,0,0,0|1,0,0]=3 11320 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,2,0,0,0,0|0,0,0]=2 11321 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,2,0,0,0,0|0,0,0]=2 11322 B10R0.55 CCC(C)SCCCN(C)C 62a_100000758301_100000757444 [0,2,0,0,0,0|2,0,0]=4 11323 B10R0.55 CCC(C)SCCOC(C)C 62a_100000211751_100000758301 [0,2,0,0,0,0|2,0,0]=4 11324 B10R0.55 CCC(C)SCCOC(C)C 62a_100000758301_100000211751 [0,2,0,0,0,0|2,0,0]=4 11325 B10R0.55 CCC(C)SCCSC(C)C 62a_100000730970_100000758301 [0,2,0,0,0,0|2,0,0]=4 11326 B10R0.55 CCC(C)SCCSC(C)C 62a_100000758301_100000730970 [0,2,0,0,0,0|2,0,0]=4 11327 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,2,0,0,0,0|1,0,0]=3 11328 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,2,0,0,0,0|1,0,0]=3 11329 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|0,0,0]=2 11330 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|0,0,0]=2 11331 B10R0.55 CCC(O)CNCOC(C)C 2230a_100011218483_100000709892 [0,2,0,0,0,0|2,0,0]=4 11332 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|0,0,2]=4 11333 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|0,0,2]=4 11334 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,2,0,0,0,0|1,0,0]=3 11335 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,2,0,0,0,0|1,0,0]=3 11336 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,2,0,0,0,0|1,0,0]=3 11337 B10R0.55 CCC(O)COCCC(F)F 34a_100103093639_100011218378 [0,2,0,0,0,0|2,0,0]=4 11338 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,2,0,0,0,0|1,0,0]=3 11339 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|0,0,2]=4 11340 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|0,0,2]=4 11341 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,2,0,0,0,0|1,0,0]=3 11342 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,2,0,0,0,0|1,0,0]=3 11343 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|0,0,0]=2 11344 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|0,0,0]=2 11345 B10R0.55 CCC(O)CSCCN(C)C 62a_100011218378_100000755713 [0,2,0,0,0,0|2,0,0]=4 11346 B10R0.55 CCC(O)CSCOC(C)C 62a_100000709892_100011218378 [0,2,0,0,0,0|2,0,0]=4 11347 B10R0.55 CCC(O)CSCOC(C)C 62a_100011218378_100000709892 [0,2,0,0,0,0|2,0,0]=4 11348 B10R0.55 CCN(C)CCCCB(O)O 2230a_100000225621_200009817182 [0,2,0,0,0,0|2,0,0]=4 11349 B10R0.55 CCN(C)CCCCB(O)O 269982a_100000225621_200009817182 [0,2,0,0,0,0|2,0,0]=4 11350 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|0,0,2]=4 11351 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,2,0,0,0,0|1,0,0]=3 11352 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,2,0,0,0,0|1,0,0]=3 11353 B10R0.55 CCN(C)CCCCN(C)C 269982a_100000225621_100000690147 [0,2,0,0,0,0|2,0,0]=4 11354 B10R0.55 CCN(C)CCCNC(C)C 2230a_100138425928_100015186262 [0,2,0,0,0,0|2,0,0]=4 11355 B10R0.55 CCN(C)CCCSC(C)C 62a_100000210206_100015186262 [0,2,0,0,0,0|2,0,0]=4 11356 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,2,0,0,0,0|0,0,0]=2 11357 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|0,0,2]=4 11358 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|0,0,2]=4 11359 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|0,0,2]=4 11360 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,2,0,0,0,0|1,0,0]=3 11361 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,2,0,0,0,0|1,0,0]=3 11362 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,2,0,0,0,0|1,0,0]=3 11363 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,2,0,0,0,0|1,0,0]=3 11364 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|0,0,0]=2 11365 B10R0.55 CC[C@H](C)COCCC(F)F 34a_100103093639_100009816398 [0,2,0,0,0,0|2,0,0]=4 11366 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,2,0,0,0,0|2,0,0]=4 11367 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,2,0,0,0,0|1,0,0]=3 11368 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|0,0,2]=4 11369 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|0,0,2]=4 11370 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,2,0,0,0,0|1,0,0]=3 11371 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,2,0,0,0,0|1,0,0]=3 11372 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,2,0,0,0,0|0,0,0]=2 11373 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,2,0,0,0,0|0,0,0]=2 11374 B10R0.55 CC[C@H](C)CSCCN(C)C 62a_100009816398_100000755713 [0,2,0,0,0,0|2,0,0]=4 11375 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100000709892_100009816398 [0,2,0,0,0,0|2,0,0]=4 11376 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100009816398_100000709892 [0,2,0,0,0,0|2,0,0]=4 11377 B10R0.55 CN(C)CCSCC(O)CO 62a_100011219619_100000755713 [0,2,0,0,0,0|2,0,0]=4 11378 B10R0.55 CN(C)CCSC[C@@H](O)CF 62a_100015614560_100000755713 [0,2,0,0,0,0|2,0,0]=4 11379 B10R0.55 CN(C)CCSC[C@@H](O)CO 62a_100009815848_100000755713 [0,2,0,0,0,0|2,0,0]=4 11380 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|0,0,2]=4 11381 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|0,0,2]=4 11382 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|0,0,2]=4 11383 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|0,0,2]=4 11384 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|1,0,1]=4 11385 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|1,0,1]=4 11386 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|1,0,1]=4 11387 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|1,0,1]=4 11388 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|1,0,1]=4 11389 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|1,0,1]=4 11390 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|1,0,1]=4 11391 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|1,0,1]=4 11392 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|1,0,1]=4 11393 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|1,0,1]=4 11394 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|1,0,1]=4 11395 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|1,0,1]=4 11396 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|1,0,1]=4 11397 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|1,0,1]=4 11398 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|1,0,1]=4 11399 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|1,0,1]=4 11400 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|1,0,1]=4 11401 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [0,2,0,0,0,0|2,0,0]=4 11402 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|1,0,1]=4 11403 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,1]=4 11404 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|1,0,1]=4 11405 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|1,0,1]=4 11406 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|1,0,1]=4 11407 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|1,0,1]=4 11408 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,1]=4 11409 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,1]=4 11410 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,1]=4 11411 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,2,0,0,0,0|1,0,0]=3 11412 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,2,0,0,0,0|1,0,0]=3 11413 B10R0.55 COC(C)CCOCC(F)F 7a_100000764861_100011934356 [0,2,0,0,0,0|2,0,0]=4 11414 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,2,0,0,0,0|1,0,0]=3 11415 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,2,0,0,0,0|1,0,0]=3 11416 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,2,0,0,0,0|1,0,0]=3 11417 B10R0.55 COC(C)COCOC(C)C 34a_100000690652_100000709892 [0,2,0,0,0,0|2,0,0]=4 11418 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,2,0,0,0,0|1,0,1]=4 11419 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,2,0,0,0,0|1,0,1]=4 11420 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,2,0,0,0,0|1,0,0]=3 11421 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,2,0,0,0,0|1,0,0]=3 11422 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,2,0,0,0,0|1,0,0]=3 11423 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,2,0,0,0,0|1,0,0]=3 11424 B10R0.55 COC(C)SCCCN(C)C 62a_100009879195_100000757444 [0,2,0,0,0,0|2,0,0]=4 11425 B10R0.55 COC(C)SCCOC(C)C 62a_100000211751_100009879195 [0,2,0,0,0,0|2,0,0]=4 11426 B10R0.55 COC(C)SCCOC(C)C 62a_100009879195_100000211751 [0,2,0,0,0,0|2,0,0]=4 11427 B10R0.55 COC(C)SCCSC(C)C 62a_100000730970_100009879195 [0,2,0,0,0,0|2,0,0]=4 11428 B10R0.55 COC(C)SCCSC(C)C 62a_100009879195_100000730970 [0,2,0,0,0,0|2,0,0]=4 11429 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,2,0,0,0,0|1,0,0]=3 11430 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,2,0,0,0,0|1,0,0]=3 11431 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,2,0,0,0,0|1,0,0]=3 11432 B10R0.55 CO[C@H](C)CNCOC(C)C 2230a_100020591295_100000709892 [0,2,0,0,0,0|2,0,0]=4 11433 B10R0.55 C[C@@H](CO)COCCC(F)F 34a_100103093639_100000059175 [0,2,0,0,0,0|2,0,0]=4 11434 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [0,2,0,0,0,0|1,0,0]=3 11435 B10R0.55 C[C@@H](CO)CSCCN(C)C 62a_100000059175_100000755713 [0,2,0,0,0,0|2,0,0]=4 11436 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|1,0,0]=3 11437 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|1,0,0]=3 11438 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|1,0,0]=3 11439 B10R0.55 C[C@H](CO)SCCCN(C)C 62a_100016084084_100000757444 [0,2,0,0,0,0|2,0,0]=4 11440 B10R0.55 OCC(O)COCCC(F)F 34a_100103093639_100011219619 [0,2,0,0,0,0|2,0,0]=4 11441 B10R0.55 OC[C@H](O)COCCC(F)F 34a_100103093639_100009815848 [0,2,0,0,0,0|2,0,0]=4 11442 B10R0.55 O[C@@H](CF)COCCC(F)F 34a_100103093639_100015614560 [0,2,0,0,0,0|2,0,0]=4 11443 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,2,0,0,0,0|1,0,0]=3 11444 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,2,0,0,0,0|1,0,0]=3 11445 B10R0.74 C#CC(C)NCCCCCF 2230a_100000707721_100000729378 [0,2,0,0,0,0|2,0,0]=4 11446 B10R0.74 C#CC(C)NCCCCCF 34a_100000707721_100000729378 [0,2,0,0,0,0|2,0,0]=4 11447 B10R0.74 C#CC(C)NCCCCCO 2230a_100000707721_100000746330 [0,2,0,0,0,0|2,0,0]=4 11448 B10R0.74 C#CC(C)NCCCCCO 34a_100000707721_100000746330 [0,2,0,0,0,0|2,0,0]=4 11449 B10R0.74 C#CC(C)NCCCCCO 34a_100000762737_200000035995 [0,2,0,0,0,0|2,0,0]=4 11450 B10R0.74 C#CC(C)NCCCCOC 2230a_100000707721_100000730899 [0,2,0,0,0,0|2,0,0]=4 11451 B10R0.74 C#CC(C)NCCCCOC 34a_100000707721_100000755781 [0,2,0,0,0,0|2,0,0]=4 11452 B10R0.74 C#CC(C)NCCCOCC 2230a_100000707721_100012232248 [0,2,0,0,0,0|2,0,0]=4 11453 B10R0.74 C#CC(C)NCCCOCC 34a_100000210961_200000035995 [0,2,0,0,0,0|2,0,0]=4 11454 B10R0.74 C#CC(C)NCCCOCC 34a_100000707721_100012232248 [0,2,0,0,0,0|2,0,0]=4 11455 B10R0.74 C#CC(C)NCCOCCC 2230a_100000707721_100011215938 [0,2,0,0,0,0|2,0,0]=4 11456 B10R0.74 C#CC(C)NCCOCCC 34a_100000707721_100011215938 [0,2,0,0,0,0|2,0,0]=4 11457 B10R0.74 C#CC(C)NCCOCCC 34a_100161115042_200000035995 [0,2,0,0,0,0|2,0,0]=4 11458 B10R0.74 C#CC(C)NCOCCCC 2230a_100000707721_100011995733 [0,2,0,0,0,0|2,0,0]=4 11459 B10R0.74 C#CC(C)NCOCCCC 34a_100000707721_100011995733 [0,2,0,0,0,0|2,0,0]=4 11460 B10R0.74 C#CC(C)OCCCCCBr 34a_100000746331_200000035995 [0,2,0,0,0,0|2,0,0]=4 11461 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,2,0,0,0,0|1,0,0]=3 11462 B10R0.74 C#CC(C)OCCCCCCl 34a_100000746330_200000035995 [0,2,0,0,0,0|2,0,0]=4 11463 B10R0.74 C#CC(C)OCCCCCI 34a_200012148887_200000035995 [0,2,0,0,0,0|2,0,0]=4 11464 B10R0.74 C#CC(C)OCCCCCN 34a_100000762737_200000035995 [0,2,0,0,0,0|2,0,0]=4 11465 B10R0.74 C#CC(C)OCCCCOC 34a_100000740925_200000035995 [0,2,0,0,0,0|2,0,0]=4 11466 B10R0.74 C#CC(C)OCCCCSC 34a_100011217163_200000035995 [0,2,0,0,0,0|2,0,0]=4 11467 B10R0.74 C#CC(C)OCCCOCC 34a_100000757476_200000035995 [0,2,0,0,0,0|2,0,0]=4 11468 B10R0.74 C#CC(C)OCCCSCC 34a_100011216438_200000035995 [0,2,0,0,0,0|2,0,0]=4 11469 B10R0.74 C#CC(C)OCCOCCC 34a_100000752267_200000035995 [0,2,0,0,0,0|2,0,0]=4 11470 B10R0.74 C#CC(C)OCCSCCC 34a_200000230433_200000035995 [0,2,0,0,0,0|2,0,0]=4 11471 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,2,0,0,0,0|1,0,0]=3 11472 B10R0.74 C#CC(C)SCCCCCF 62a_200000035995_100000729378 [0,2,0,0,0,0|2,0,0]=4 11473 B10R0.74 C#CC(C)SCCCCCO 62a_200000035995_100000746330 [0,2,0,0,0,0|2,0,0]=4 11474 B10R0.74 C#CC(C)SCCCCOC 62a_200000035995_100000730899 [0,2,0,0,0,0|2,0,0]=4 11475 B10R0.74 C#CC(C)SCCCOCC 62a_200000035995_100012232248 [0,2,0,0,0,0|2,0,0]=4 11476 B10R0.74 C#CC(C)SCCOCCC 62a_200000035995_100011215938 [0,2,0,0,0,0|2,0,0]=4 11477 B10R0.74 C#CC(C)SCOCCCC 62a_200000035995_100011995733 [0,2,0,0,0,0|2,0,0]=4 11478 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|0,0,1]=3 11479 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|0,0,1]=3 11480 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|0,0,1]=3 11481 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,2,0,0,0,0|0,0,1]=3 11482 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,2,0,0,0,0|0,0,1]=3 11483 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,2,0,0,0,0|0,0,1]=3 11484 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,2,0,0,0,0|0,0,1]=3 11485 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,2,0,0,0,0|0,0,1]=3 11486 B10R0.74 C#CCCCCNC(C)CO 2230a_100000706060_100012180447 [0,2,0,0,0,0|0,0,2]=4 11487 B10R0.74 C#CCCCCNC(C)CO 34a_100000706060_100012180447 [0,2,0,0,0,0|0,0,2]=4 11488 B10R0.74 C#CCCCCN[C@H](C)CO 2230a_100000737577_100010269958 [0,2,0,0,0,0|0,0,2]=4 11489 B10R0.74 C#CCCCCOC(C)CO 34a_100000766709_100012180447 [0,2,0,0,0,0|0,0,2]=4 11490 B10R0.74 C#CCCCCOC(C)CO 7a_100000766709_100012180447 [0,2,0,0,0,0|0,0,2]=4 11491 B10R0.74 C#CCCCCSC(C)CO 62a_100012180447_100010269958 [0,2,0,0,0,0|0,0,2]=4 11492 B10R0.74 C#CCCCCSC(C)OC 62a_100009879195_100010269958 [0,2,0,0,0,0|0,0,2]=4 11493 B10R0.74 C#CCCCCSC(C)OC 62a_100010269958_100009879195 [0,2,0,0,0,0|0,0,2]=4 11494 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100010269958_100016084084 [0,2,0,0,0,0|0,0,2]=4 11495 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100016084084_100010269958 [0,2,0,0,0,0|0,0,2]=4 11496 B10R0.74 C#CCCCNCC(C)CO 34a_100000744482_100000695029 [0,2,0,0,0,0|0,0,2]=4 11497 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,2,0,0,0,0|0,0,2]=4 11498 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,2,0,0,0,0|0,0,2]=4 11499 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,2,0,0,0,0|0,0,2]=4 11500 B10R0.74 C#CCCCNC[C@@H](C)CO 34a_100000718082_100000059175 [0,2,0,0,0,0|0,0,2]=4 11501 B10R0.74 C#CCCCNC[C@@H](C)OC 2230a_100020591295_100000731252 [0,2,0,0,0,0|0,0,2]=4 11502 B10R0.74 C#CCCCNC[C@@H](O)CF 34a_100000718082_100015614560 [0,2,0,0,0,0|0,0,2]=4 11503 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,2,0,0,0,0|0,0,2]=4 11504 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,2,0,0,0,0|0,0,2]=4 11505 B10R0.74 C#CCCCOCC(C)OC 34a_100000690652_100000695029 [0,2,0,0,0,0|0,0,2]=4 11506 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,2,0,0,0,0|0,0,2]=4 11507 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,2,0,0,0,0|0,0,2]=4 11508 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,2,0,0,0,0|0,0,2]=4 11509 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,2,0,0,0,0|0,0,2]=4 11510 B10R0.74 C#CCCCOC[C@@H](C)CO 34a_100000215630_100000059175 [0,2,0,0,0,0|0,0,2]=4 11511 B10R0.74 C#CCCCOC[C@@H](C)CO 7a_100000215630_100000059175 [0,2,0,0,0,0|0,0,2]=4 11512 B10R0.74 C#CCCCOC[C@@H](O)CF 34a_100000215630_100015614560 [0,2,0,0,0,0|0,0,2]=4 11513 B10R0.74 C#CCCCOC[C@@H](O)CF 7a_100000215630_100015614560 [0,2,0,0,0,0|0,0,2]=4 11514 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,2,0,0,0,0|0,0,2]=4 11515 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,2,0,0,0,0|0,0,2]=4 11516 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,2,0,0,0,0|0,0,2]=4 11517 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,2,0,0,0,0|0,0,2]=4 11518 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,2,0,0,0,0|0,0,2]=4 11519 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,2,0,0,0,0|0,0,2]=4 11520 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100000059175_100011215417 [0,2,0,0,0,0|0,0,2]=4 11521 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100011215417_100000059175 [0,2,0,0,0,0|0,0,2]=4 11522 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100011215417_100015614560 [0,2,0,0,0,0|0,0,2]=4 11523 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100015614560_100011215417 [0,2,0,0,0,0|0,0,2]=4 11524 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,2,0,0,0,0|0,0,2]=4 11525 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,2,0,0,0,0|0,0,2]=4 11526 B10R0.74 C#CCCNCCC(C)CO 2230a_106354213184_100000688953 [0,2,0,0,0,0|0,0,2]=4 11527 B10R0.74 C#CCCNCCC(C)CO 34a_106354213184_100000688953 [0,2,0,0,0,0|0,0,2]=4 11528 B10R0.74 C#CCCOCCC(C)OC 7a_100000764861_100000688953 [0,2,0,0,0,0|0,0,2]=4 11529 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,2,0,0,0,0|1,0,0]=3 11530 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,2,0,0,0,0|1,0,0]=3 11531 B10R0.74 C#C[C@@H](C)OCCCCCF 34a_100009815206_100000729378 [0,2,0,0,0,0|2,0,0]=4 11532 B10R0.74 C#C[C@@H](C)OCCCCCF 7a_100009815206_100000729378 [0,2,0,0,0,0|2,0,0]=4 11533 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [0,2,0,0,0,0|2,0,0]=4 11534 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [0,2,0,0,0,0|2,0,0]=4 11535 B10R0.74 C#C[C@@H](C)OCCCCOC 34a_100009815206_100000755781 [0,2,0,0,0,0|2,0,0]=4 11536 B10R0.74 C#C[C@@H](C)OCCCCOC 7a_100009815206_100000730899 [0,2,0,0,0,0|2,0,0]=4 11537 B10R0.74 C#C[C@@H](C)OCCCOCC 34a_100009815206_100012232248 [0,2,0,0,0,0|2,0,0]=4 11538 B10R0.74 C#C[C@@H](C)OCCCOCC 7a_100009815206_100012232248 [0,2,0,0,0,0|2,0,0]=4 11539 B10R0.74 C#C[C@@H](C)OCCOCCC 34a_100009815206_100011215938 [0,2,0,0,0,0|2,0,0]=4 11540 B10R0.74 C#C[C@@H](C)OCCOCCC 7a_100009815206_100011215938 [0,2,0,0,0,0|2,0,0]=4 11541 B10R0.74 C#C[C@@H](C)OCOCCCC 34a_100009815206_100011995733 [0,2,0,0,0,0|2,0,0]=4 11542 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,2,0,0,0,0|0,0,2]=4 11543 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,2,0,0,0,0|0,0,2]=4 11544 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,2,0,0,0,0|0,0,2]=4 11545 B10R0.74 C/C=C/CCOC[C@@H](O)CF 34a_100016278192_100015614560 [0,2,0,0,0,0|0,0,2]=4 11546 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,2,0,0,0,0|0,0,2]=4 11547 B10R0.74 C/C=C/CNCCC(C)CO 34a_106354213184_100102629194 [0,2,0,0,0,0|0,0,2]=4 11548 B10R0.74 C/C=C/COCCC(C)OC 7a_100000764861_100102629194 [0,2,0,0,0,0|0,0,2]=4 11549 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,2,0,0,0,0|1,0,0]=3 11550 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,2,0,0,0,0|1,0,0]=3 11551 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,2,0,0,0,0|2,0,0]=4 11552 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,2,0,0,0,0|2,0,0]=4 11553 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,2,0,0,0,0|2,0,0]=4 11554 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,2,0,0,0,0|2,0,0]=4 11555 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,2,0,0,0,0|2,0,0]=4 11556 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,2,0,0,0,0|2,0,0]=4 11557 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,2,0,0,0,0|2,0,0]=4 11558 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,2,0,0,0,0|2,0,0]=4 11559 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,2,0,0,0,0|2,0,0]=4 11560 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,2,0,0,0,0|2,0,0]=4 11561 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,2,0,0,0,0|1,0,0]=3 11562 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,2,0,0,0,0|2,0,0]=4 11563 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,2,0,0,0,0|2,0,0]=4 11564 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,2,0,0,0,0|2,0,0]=4 11565 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,2,0,0,0,0|2,0,0]=4 11566 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,2,0,0,0,0|2,0,0]=4 11567 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,2,0,0,0,0|2,0,0]=4 11568 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,2,0,0,0,0|1,0,0]=3 11569 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,2,0,0,0,0|2,0,0]=4 11570 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,2,0,0,0,0|2,0,0]=4 11571 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,2,0,0,0,0|2,0,0]=4 11572 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,2,0,0,0,0|2,0,0]=4 11573 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,2,0,0,0,0|2,0,0]=4 11574 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,2,0,0,0,0|2,0,0]=4 11575 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|0,0,1]=3 11576 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,2,0,0,0,0|1,0,1]=4 11577 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,2,0,0,0,0|1,0,1]=4 11578 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,2,0,0,0,0|1,0,1]=4 11579 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,2,0,0,0,0|1,0,1]=4 11580 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,2,0,0,0,0|1,0,1]=4 11581 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,2,0,0,0,0|1,0,1]=4 11582 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,2,0,0,0,0|1,0,1]=4 11583 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,2,0,0,0,0|1,0,1]=4 11584 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|0,0,1]=3 11585 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|0,0,1]=3 11586 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,2,0,0,0,0|1,0,1]=4 11587 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,2,0,0,0,0|1,0,1]=4 11588 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,2,0,0,0,0|1,0,1]=4 11589 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,2,0,0,0,0|1,0,1]=4 11590 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,2,0,0,0,0|1,0,1]=4 11591 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,2,0,0,0,0|1,0,1]=4 11592 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,2,0,0,0,0|1,0,1]=4 11593 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,2,0,0,0,0|1,0,1]=4 11594 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,2,0,0,0,0|1,0,1]=4 11595 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,2,0,0,0,0|1,0,1]=4 11596 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,2,0,0,0,0|1,0,1]=4 11597 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,2,0,0,0,0|1,0,1]=4 11598 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,2,0,0,0,0|1,0,1]=4 11599 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,2,0,0,0,0|1,0,1]=4 11600 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|0,0,1]=3 11601 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|0,0,1]=3 11602 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,2,0,0,0,0|1,0,1]=4 11603 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,2,0,0,0,0|1,0,1]=4 11604 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,2,0,0,0,0|1,0,1]=4 11605 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,2,0,0,0,0|1,0,1]=4 11606 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,2,0,0,0,0|1,0,1]=4 11607 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,2,0,0,0,0|1,0,1]=4 11608 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,2,0,0,0,0|1,0,1]=4 11609 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,2,0,0,0,0|1,0,1]=4 11610 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,2,0,0,0,0|1,0,1]=4 11611 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,2,0,0,0,0|1,0,1]=4 11612 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,2,0,0,0,0|0,0,2]=4 11613 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,2,0,0,0,0|0,0,2]=4 11614 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,2,0,0,0,0|0,0,2]=4 11615 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,2,0,0,0,0|0,0,2]=4 11616 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,2,0,0,0,0|0,0,2]=4 11617 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,2,0,0,0,0|0,0,2]=4 11618 B10R0.74 C=CCCCCSC(C)OC 62a_100009879195_100011215482 [0,2,0,0,0,0|0,0,2]=4 11619 B10R0.74 C=CCCCCSC(C)OC 62a_100011215482_100009879195 [0,2,0,0,0,0|0,0,2]=4 11620 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,2,0,0,0,0|0,0,2]=4 11621 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,2,0,0,0,0|0,0,2]=4 11622 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,2,0,0,0,0|0,0,2]=4 11623 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,2,0,0,0,0|0,0,2]=4 11624 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,2,0,0,0,0|0,0,2]=4 11625 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,2,0,0,0,0|0,0,2]=4 11626 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,2,0,0,0,0|0,0,2]=4 11627 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,2,0,0,0,0|0,0,2]=4 11628 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,2,0,0,0,0|0,0,2]=4 11629 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,2,0,0,0,0|0,0,2]=4 11630 B10R0.74 C=CCCCNC[C@@H](C)OC 2230a_100020591295_100011713584 [0,2,0,0,0,0|0,0,2]=4 11631 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,2,0,0,0,0|0,0,2]=4 11632 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,2,0,0,0,0|0,0,2]=4 11633 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,2,0,0,0,0|0,0,2]=4 11634 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,2,0,0,0,0|0,0,2]=4 11635 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,2,0,0,0,0|0,0,2]=4 11636 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,2,0,0,0,0|0,0,2]=4 11637 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,2,0,0,0,0|0,0,2]=4 11638 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,2,0,0,0,0|0,0,2]=4 11639 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,2,0,0,0,0|0,0,2]=4 11640 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,2,0,0,0,0|0,0,2]=4 11641 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,2,0,0,0,0|0,0,2]=4 11642 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,2,0,0,0,0|0,0,2]=4 11643 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,2,0,0,0,0|0,0,2]=4 11644 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,2,0,0,0,0|0,0,2]=4 11645 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,2,0,0,0,0|0,0,2]=4 11646 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,2,0,0,0,0|0,0,2]=4 11647 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,2,0,0,0,0|0,0,2]=4 11648 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,2,0,0,0,0|0,0,2]=4 11649 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,2,0,0,0,0|0,0,2]=4 11650 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,2,0,0,0,0|0,0,2]=4 11651 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,2,0,0,0,0|0,0,2]=4 11652 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,2,0,0,0,0|0,0,2]=4 11653 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,2,0,0,0,0|0,0,2]=4 11654 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,2,0,0,0,0|0,0,2]=4 11655 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,2,0,0,0,0|0,0,2]=4 11656 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,2,0,0,0,0|0,0,2]=4 11657 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,2,0,0,0,0|0,0,2]=4 11658 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,2,0,0,0,0|0,0,2]=4 11659 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,2,0,0,0,0|0,0,2]=4 11660 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,1]=4 11661 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,2,0,0,0,0|0,0,2]=4 11662 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,2,0,0,0,0|0,0,2]=4 11663 B10R0.74 CC#CCCOC[C@@H](C)CO 34a_100000750427_100000059175 [0,2,0,0,0,0|0,0,2]=4 11664 B10R0.74 CC#CCCOC[C@@H](O)CF 34a_100000750427_100015614560 [0,2,0,0,0,0|0,0,2]=4 11665 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,2,0,0,0,0|0,0,2]=4 11666 B10R0.74 CC#CCNCCC(C)CO 2230a_106354213184_100000748600 [0,2,0,0,0,0|0,0,2]=4 11667 B10R0.74 CC#CCNCCC(C)CO 34a_106354213184_100000748600 [0,2,0,0,0,0|0,0,2]=4 11668 B10R0.74 CC#CCOCCC(C)OC 7a_100000764861_100000748600 [0,2,0,0,0,0|0,0,2]=4 11669 B10R0.74 CC(C#N)NCCCCCF 2230a_100000737613_100000729378 [0,2,0,0,0,0|2,0,0]=4 11670 B10R0.74 CC(C#N)NCCCCCO 2230a_100000737613_100000746330 [0,2,0,0,0,0|2,0,0]=4 11671 B10R0.74 CC(C#N)NCCCCCO 2230a_100000762737_100000184139 [0,2,0,0,0,0|2,0,0]=4 11672 B10R0.74 CC(C#N)OCCCCCBr 7a_100000746331_100000703298 [0,2,0,0,0,0|2,0,0]=4 11673 B10R0.74 CC(C#N)OCCCCCCl 7a_100000746330_100000703298 [0,2,0,0,0,0|2,0,0]=4 11674 B10R0.74 CC(C#N)OCCCCCF 34a_100011218135_100000729378 [0,2,0,0,0,0|2,0,0]=4 11675 B10R0.74 CC(C#N)OCCCCCI 7a_200012148887_100000703298 [0,2,0,0,0,0|2,0,0]=4 11676 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [0,2,0,0,0,0|2,0,0]=4 11677 B10R0.74 CC(C#N)SCCCCCF 62a_100000703298_100000729378 [0,2,0,0,0,0|2,0,0]=4 11678 B10R0.74 CC(C#N)SCCCCCF 62a_100000729378_100000703298 [0,2,0,0,0,0|2,0,0]=4 11679 B10R0.74 CC(C#N)SCCCCCO 62a_100000703298_100000746330 [0,2,0,0,0,0|2,0,0]=4 11680 B10R0.74 CC(C#N)SCCCCCO 62a_100000746330_100000703298 [0,2,0,0,0,0|2,0,0]=4 11681 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,2,0,0,0,0|2,0,0]=4 11682 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,2,0,0,0,0|2,0,0]=4 11683 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,2,0,0,0,0|2,0,0]=4 11684 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,2,0,0,0,0|2,0,0]=4 11685 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,2,0,0,0,0|2,0,0]=4 11686 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,2,0,0,0,0|2,0,0]=4 11687 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|2,0,0]=4 11688 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|2,0,0]=4 11689 B10R0.74 CC(CO)CCNCCC#N 2230a_106354213184_100011215226 [0,2,0,0,0,0|1,0,1]=4 11690 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,2,0,0,0,0|1,0,0]=3 11691 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,2,0,0,0,0|1,0,0]=3 11692 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,2,0,0,0,0|1,0,0]=3 11693 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,2,0,0,0,0|1,0,0]=3 11694 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,2,0,0,0,0|1,0,0]=3 11695 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,2,0,0,0,0|1,0,0]=3 11696 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,2,0,0,0,0|1,0,0]=3 11697 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,0]=3 11698 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [0,2,0,0,0,0|2,0,0]=4 11699 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [0,2,0,0,0,0|2,0,0]=4 11700 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [0,2,0,0,0,0|2,0,0]=4 11701 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,2,0,0,0,0|1,0,0]=3 11702 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,2,0,0,0,0|1,0,0]=3 11703 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,2,0,0,0,0|1,0,0]=3 11704 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,2,0,0,0,0|1,0,0]=3 11705 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,2,0,0,0,0|1,0,0]=3 11706 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,2,0,0,0,0|1,0,0]=3 11707 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,0]=3 11708 B10R0.74 CC(CO)OCCOCCBr 34a_100000692535_100012180447 [0,2,0,0,0,0|2,0,0]=4 11709 B10R0.74 CC(CO)OCCOCCBr 7a_100000692535_100012180447 [0,2,0,0,0,0|2,0,0]=4 11710 B10R0.74 CC(CO)OCCOCCCl 34a_100011215305_100012180447 [0,2,0,0,0,0|2,0,0]=4 11711 B10R0.74 CC(CO)OCCOCCCl 7a_100011215305_100012180447 [0,2,0,0,0,0|2,0,0]=4 11712 B10R0.74 CC(CO)OCCOCCF 34a_200015357709_100012180447 [0,2,0,0,0,0|2,0,0]=4 11713 B10R0.74 CC(CO)OCCOCCF 7a_200015357709_100012180447 [0,2,0,0,0,0|2,0,0]=4 11714 B10R0.74 CC(CO)OCCOCCI 34a_100012149058_100012180447 [0,2,0,0,0,0|2,0,0]=4 11715 B10R0.74 CC(CO)OCCOCCI 7a_100012149058_100012180447 [0,2,0,0,0,0|2,0,0]=4 11716 B10R0.74 CC(CO)OCCOCCN 34a_100000211614_100012180447 [0,2,0,0,0,0|2,0,0]=4 11717 B10R0.74 CC(CO)SCCCCC#N 62a_100012180447_100000211819 [0,2,0,0,0,0|1,0,1]=4 11718 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,2,0,0,0,0|1,0,1]=4 11719 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,2,0,0,0,0|1,0,0]=3 11720 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,2,0,0,0,0|1,0,0]=3 11721 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [0,2,0,0,0,0|2,0,0]=4 11722 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,2,0,0,0,0|0,0,2]=4 11723 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,2,0,0,0,0|0,0,2]=4 11724 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,2,0,0,0,0|0,0,2]=4 11725 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,2,0,0,0,0|0,0,2]=4 11726 B10R0.74 CC/C=C\CCSC(C)OC 62a_100009879195_100015370543 [0,2,0,0,0,0|0,0,2]=4 11727 B10R0.74 CC/C=C\CCSC(C)OC 62a_100015370543_100009879195 [0,2,0,0,0,0|0,0,2]=4 11728 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,2,0,0,0,0|0,0,2]=4 11729 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,2,0,0,0,0|0,0,2]=4 11730 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,2,0,0,0,0|0,0,2]=4 11731 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,2,0,0,0,0|0,0,2]=4 11732 B10R0.74 CC/C=C\CNC[C@@H](C)OC 2230a_100020591295_100103147603 [0,2,0,0,0,0|0,0,2]=4 11733 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,2,0,0,0,0|0,0,2]=4 11734 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,2,0,0,0,0|0,0,2]=4 11735 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,2,0,0,0,0|0,0,2]=4 11736 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,2,0,0,0,0|0,0,2]=4 11737 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,2,0,0,0,0|0,0,2]=4 11738 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,2,0,0,0,0|0,0,2]=4 11739 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,2,0,0,0,0|0,0,2]=4 11740 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,2,0,0,0,0|0,0,2]=4 11741 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,2,0,0,0,0|0,0,2]=4 11742 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,2,0,0,0,0|0,0,2]=4 11743 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,2,0,0,0,0|0,0,2]=4 11744 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,2,0,0,0,0|0,0,2]=4 11745 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,2,0,0,0,0|0,0,2]=4 11746 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,2,0,0,0,0|0,0,2]=4 11747 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,2,0,0,0,0|0,0,2]=4 11748 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,2,0,0,0,0|0,0,2]=4 11749 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,2,0,0,0,0|0,0,2]=4 11750 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,2,0,0,0,0|0,0,2]=4 11751 B10R0.74 CC=CCNCCC(C)CO 2230a_106354213184_100000070051 [0,2,0,0,0,0|0,0,2]=4 11752 B10R0.74 CC=CCNCCC(C)CO 34a_106354213184_100000070051 [0,2,0,0,0,0|0,0,2]=4 11753 B10R0.74 CC=CCOCCC(C)OC 7a_100000764861_100000070051 [0,2,0,0,0,0|0,0,2]=4 11754 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,2,0,0,0,0|0,0,2]=4 11755 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,2,0,0,0,0|0,0,2]=4 11756 B10R0.74 CCC#CCNCC(C)CO 34a_100000744482_100009813939 [0,2,0,0,0,0|0,0,2]=4 11757 B10R0.74 CCC#CCNCC(O)CC 2230a_100011218483_100009813939 [0,2,0,0,0,0|0,0,2]=4 11758 B10R0.74 CCC#CCNC[C@@H](C)OC 2230a_100020591295_100009813939 [0,2,0,0,0,0|0,0,2]=4 11759 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,2,0,0,0,0|0,0,2]=4 11760 B10R0.74 CCC#CCOCC(C)OC 34a_100000690652_100009813939 [0,2,0,0,0,0|0,0,2]=4 11761 B10R0.74 CCC#CCOCC(O)CC 34a_100000032950_100011218378 [0,2,0,0,0,0|0,0,2]=4 11762 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,2,0,0,0,0|0,0,2]=4 11763 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,2,0,0,0,0|0,0,2]=4 11764 B10R0.74 CCC#CCOC[C@@H](O)CF 34a_100000032950_100015614560 [0,2,0,0,0,0|0,0,2]=4 11765 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,2,0,0,0,0|0,0,2]=4 11766 B10R0.74 CCC#CCSCC(O)CC 62a_100009813939_100011218378 [0,2,0,0,0,0|0,0,2]=4 11767 B10R0.74 CCC#CCSCC(O)CC 62a_100011218378_100009813939 [0,2,0,0,0,0|0,0,2]=4 11768 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,2,0,0,0,0|0,0,2]=4 11769 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,2,0,0,0,0|0,0,2]=4 11770 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100000059175_100009813939 [0,2,0,0,0,0|0,0,2]=4 11771 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100009813939_100000059175 [0,2,0,0,0,0|0,0,2]=4 11772 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100009813939_100015614560 [0,2,0,0,0,0|0,0,2]=4 11773 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100015614560_100009813939 [0,2,0,0,0,0|0,0,2]=4 11774 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,2,0,0,0,0|0,0,2]=4 11775 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,2,0,0,0,0|0,0,2]=4 11776 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|0,0,2]=4 11777 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,2]=4 11778 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,2]=4 11779 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|0,0,2]=4 11780 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|1,0,0]=3 11781 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|1,0,0]=3 11782 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,2,0,0,0,0|2,0,0]=4 11783 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|2,0,0]=4 11784 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,2,0,0,0,0|2,0,0]=4 11785 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,2,0,0,0,0|2,0,0]=4 11786 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|2,0,0]=4 11787 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,2,0,0,0,0|2,0,0]=4 11788 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,2,0,0,0,0|2,0,0]=4 11789 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,2,0,0,0,0|2,0,0]=4 11790 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|2,0,0]=4 11791 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,2,0,0,0,0|2,0,0]=4 11792 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,2,0,0,0,0|2,0,0]=4 11793 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,2,0,0,0,0|2,0,0]=4 11794 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,2,0,0,0,0|2,0,0]=4 11795 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,2,0,0,0,0|2,0,0]=4 11796 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,2,0,0,0,0|2,0,0]=4 11797 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,2,0,0,0,0|2,0,0]=4 11798 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,2,0,0,0,0|2,0,0]=4 11799 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,2,0,0,0,0|2,0,0]=4 11800 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,2,0,0,0,0|2,0,0]=4 11801 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,2,0,0,0,0|2,0,0]=4 11802 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,2,0,0,0,0|2,0,0]=4 11803 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,2,0,0,0,0|2,0,0]=4 11804 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,2,0,0,0,0|2,0,0]=4 11805 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,2,0,0,0,0|2,0,0]=4 11806 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,2,0,0,0,0|2,0,0]=4 11807 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,2,0,0,0,0|2,0,0]=4 11808 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,2,0,0,0,0|2,0,0]=4 11809 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,2,0,0,0,0|2,0,0]=4 11810 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,2,0,0,0,0|2,0,0]=4 11811 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,2,0,0,0,0|2,0,0]=4 11812 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,2,0,0,0,0|2,0,0]=4 11813 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,2,0,0,0,0|2,0,0]=4 11814 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,2,0,0,0,0|2,0,0]=4 11815 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,2,0,0,0,0|2,0,0]=4 11816 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,2,0,0,0,0|2,0,0]=4 11817 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,2,0,0,0,0|2,0,0]=4 11818 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,2,0,0,0,0|2,0,0]=4 11819 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,2,0,0,0,0|2,0,0]=4 11820 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,2,0,0,0,0|2,0,0]=4 11821 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,2,0,0,0,0|2,0,0]=4 11822 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,2,0,0,0,0|2,0,0]=4 11823 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,2,0,0,0,0|2,0,0]=4 11824 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,2,0,0,0,0|2,0,0]=4 11825 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,2,0,0,0,0|2,0,0]=4 11826 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,2,0,0,0,0|2,0,0]=4 11827 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,2,0,0,0,0|2,0,0]=4 11828 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,2,0,0,0,0|2,0,0]=4 11829 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,2,0,0,0,0|2,0,0]=4 11830 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,2,0,0,0,0|2,0,0]=4 11831 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,2,0,0,0,0|2,0,0]=4 11832 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,2,0,0,0,0|2,0,0]=4 11833 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,2,0,0,0,0|2,0,0]=4 11834 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,2,0,0,0,0|2,0,0]=4 11835 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,2,0,0,0,0|2,0,0]=4 11836 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,2,0,0,0,0|2,0,0]=4 11837 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,2,0,0,0,0|2,0,0]=4 11838 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,2,0,0,0,0|2,0,0]=4 11839 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,2,0,0,0,0|2,0,0]=4 11840 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,2,0,0,0,0|2,0,0]=4 11841 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,2,0,0,0,0|2,0,0]=4 11842 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,2,0,0,0,0|2,0,0]=4 11843 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,2,0,0,0,0|1,0,1]=4 11844 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,2,0,0,0,0|1,0,1]=4 11845 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,2,0,0,0,0|1,0,0]=3 11846 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|1,0,0]=3 11847 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|1,0,0]=3 11848 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|1,0,0]=3 11849 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,2,0,0,0,0|1,0,0]=3 11850 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,2,0,0,0,0|1,0,0]=3 11851 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,2,0,0,0,0|1,0,0]=3 11852 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,2,0,0,0,0|1,0,0]=3 11853 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,2,0,0,0,0|1,0,0]=3 11854 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,2,0,0,0,0|1,0,0]=3 11855 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,2,0,0,0,0|1,0,0]=3 11856 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,2,0,0,0,0|1,0,0]=3 11857 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,2,0,0,0,0|1,0,0]=3 11858 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,2,0,0,0,0|1,0,0]=3 11859 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,2,0,0,0,0|1,0,0]=3 11860 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,2,0,0,0,0|1,0,0]=3 11861 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,2,0,0,0,0|1,0,0]=3 11862 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,2,0,0,0,0|1,0,0]=3 11863 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,2,0,0,0,0|1,0,1]=4 11864 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,2,0,0,0,0|1,0,1]=4 11865 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,2,0,0,0,0|1,0,1]=4 11866 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,2,0,0,0,0|1,0,1]=4 11867 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,2,0,0,0,0|1,0,0]=3 11868 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,2,0,0,0,0|1,0,0]=3 11869 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|1,0,0]=3 11870 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|1,0,0]=3 11871 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,2,0,0,0,0|1,0,0]=3 11872 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,2,0,0,0,0|1,0,0]=3 11873 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,2,0,0,0,0|0,0,2]=4 11874 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,2,0,0,0,0|0,0,2]=4 11875 B10R0.74 CCCC#CCOC(C)CO 34a_100000034806_100012180447 [0,2,0,0,0,0|0,0,2]=4 11876 B10R0.74 CCCC#CCOC(C)CO 7a_100000034806_100012180447 [0,2,0,0,0,0|0,0,2]=4 11877 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,2,0,0,0,0|1,0,1]=4 11878 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|0,0,2]=4 11879 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|0,0,2]=4 11880 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|0,0,2]=4 11881 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,2]=4 11882 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|0,0,2]=4 11883 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 11884 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 11885 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|0,0,2]=4 11886 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,2,0,0,0,0|1,0,0]=3 11887 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,2,0,0,0,0|1,0,0]=3 11888 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,2,0,0,0,0|1,0,0]=3 11889 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,2,0,0,0,0|1,0,0]=3 11890 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|0,0,0]=2 11891 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|0,0,0]=2 11892 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|0,0,0]=2 11893 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|0,0,0]=2 11894 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|0,0,0]=2 11895 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,2,0,0,0,0|0,1,0]=3 11896 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,2,0,0,0,0|0,1,0]=3 11897 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,2,0,0,0,0|0,1,0]=3 11898 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,2,0,0,0,0|0,1,0]=3 11899 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 11900 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,2,0,0,0,0|2,0,0]=4 11901 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 11902 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,2,0,0,0,0|2,0,0]=4 11903 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,2,0,0,0,0|2,0,0]=4 11904 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,2,0,0,0,0|2,0,0]=4 11905 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,2,0,0,0,0|2,0,0]=4 11906 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 11907 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,2,0,0,0,0|2,0,0]=4 11908 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 11909 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 11910 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 11911 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|0,0,2]=4 11912 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|0,0,2]=4 11913 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|0,0,2]=4 11914 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|0,0,2]=4 11915 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|0,0,2]=4 11916 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|0,0,2]=4 11917 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|0,0,2]=4 11918 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|0,0,2]=4 11919 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|0,0,2]=4 11920 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,2,0,0,0,0|1,0,0]=3 11921 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,2,0,0,0,0|1,0,0]=3 11922 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,2,0,0,0,0|1,0,0]=3 11923 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,2,0,0,0,0|1,0,0]=3 11924 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|0,0,0]=2 11925 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|0,0,0]=2 11926 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,2,0,0,0,0|1,0,0]=3 11927 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,2,0,0,0,0|1,0,0]=3 11928 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,2,0,0,0,0|1,0,0]=3 11929 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,2,0,0,0,0|1,0,0]=3 11930 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,2,0,0,0,0|1,0,0]=3 11931 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,2,0,0,0,0|1,0,0]=3 11932 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,2,0,0,0,0|1,0,0]=3 11933 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,2,0,0,0,0|1,0,0]=3 11934 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|0,0,0]=2 11935 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|0,0,0]=2 11936 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,2,0,0,0,0|1,0,0]=3 11937 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,2,0,0,0,0|1,0,0]=3 11938 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,2,0,0,0,0|1,0,0]=3 11939 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,2,0,0,0,0|1,0,0]=3 11940 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|0,0,0]=2 11941 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|0,0,0]=2 11942 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|0,0,0]=2 11943 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,2,0,0,0,0|1,0,1]=4 11944 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,2,0,0,0,0|1,0,1]=4 11945 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|0,0,0]=2 11946 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|0,0,0]=2 11947 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|0,0,2]=4 11948 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|0,0,2]=4 11949 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|0,0,2]=4 11950 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,2,0,0,0,0|1,0,0]=3 11951 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,2,0,0,0,0|1,0,0]=3 11952 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,2,0,0,0,0|1,0,0]=3 11953 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|0,0,0]=2 11954 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|0,0,0]=2 11955 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|0,0,0]=2 11956 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|0,0,0]=2 11957 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,2,0,0,0,0|1,0,0]=3 11958 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|0,0,0]=2 11959 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|0,0,0]=2 11960 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,0]=3 11961 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|0,0,0]=2 11962 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|0,0,0]=2 11963 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|0,0,0]=2 11964 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,2,0,0,0,0|1,0,1]=4 11965 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,2]=4 11966 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,2]=4 11967 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|0,0,2]=4 11968 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|0,0,2]=4 11969 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|0,0,2]=4 11970 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 11971 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 11972 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,2,0,0,0,0|1,0,0]=3 11973 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,2,0,0,0,0|1,0,0]=3 11974 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,2,0,0,0,0|1,0,0]=3 11975 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|0,0,0]=2 11976 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,2,0,0,0,0|1,0,0]=3 11977 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|0,0,0]=2 11978 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|0,0,0]=2 11979 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|0,0,0]=2 11980 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|0,0,0]=2 11981 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,2,0,0,0,0|1,0,0]=3 11982 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,2,0,0,0,0|1,0,0]=3 11983 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,2,0,0,0,0|1,0,0]=3 11984 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|0,0,0]=2 11985 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|0,0,0]=2 11986 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|0,0,0]=2 11987 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|0,0,0]=2 11988 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|0,0,0]=2 11989 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|0,0,0]=2 11990 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,0]=3 11991 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|0,0,2]=4 11992 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|0,0,2]=4 11993 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|0,0,2]=4 11994 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|0,0,2]=4 11995 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|0,0,2]=4 11996 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|0,0,2]=4 11997 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,2,0,0,0,0|1,0,0]=3 11998 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,2,0,0,0,0|1,0,0]=3 11999 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|0,0,0]=2 12000 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|0,0,0]=2 12001 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|0,0,0]=2 12002 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|0,0,0]=2 12003 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,2,0,0,0,0|1,0,0]=3 12004 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,2,0,0,0,0|1,0,0]=3 12005 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|0,0,0]=2 12006 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|0,0,0]=2 12007 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|0,0,0]=2 12008 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|0,0,0]=2 12009 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|0,0,0]=2 12010 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|0,0,0]=2 12011 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|0,0,2]=4 12012 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|0,0,2]=4 12013 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|0,0,2]=4 12014 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|0,0,2]=4 12015 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|0,0,2]=4 12016 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|0,0,2]=4 12017 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,2,0,0,0,0|1,0,0]=3 12018 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|0,0,0]=2 12019 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|0,0,0]=2 12020 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,2,0,0,0,0|1,0,1]=4 12021 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|1,0,1]=4 12022 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|0,0,2]=4 12023 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|0,0,2]=4 12024 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|0,0,2]=4 12025 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|0,0,2]=4 12026 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|0,0,2]=4 12027 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|0,0,2]=4 12028 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|0,0,2]=4 12029 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,2,0,0,0,0|1,0,0]=3 12030 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|0,0,0]=2 12031 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 12032 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,2,0,0,0,0|2,0,0]=4 12033 B10R0.74 CCCCOCNC(C)C#N 2230a_100000737613_100011995733 [0,2,0,0,0,0|2,0,0]=4 12034 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,2,0,0,0,0|2,0,0]=4 12035 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,2,0,0,0,0|1,0,0]=3 12036 B10R0.74 CCCCOCOC(C)C#N 34a_100011218135_100011995733 [0,2,0,0,0,0|2,0,0]=4 12037 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,2,0,0,0,0|2,0,0]=4 12038 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,2,0,0,0,0|2,0,0]=4 12039 B10R0.74 CCCCOCSC(C)C#N 62a_100000703298_100011995733 [0,2,0,0,0,0|2,0,0]=4 12040 B10R0.74 CCCCOCSC(C)C#N 62a_100011995733_100000703298 [0,2,0,0,0,0|2,0,0]=4 12041 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,2,0,0,0,0|2,0,0]=4 12042 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,2,0,0,0,0|2,0,0]=4 12043 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,2,0,0,0,0|1,0,0]=3 12044 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,2,0,0,0,0|1,0,0]=3 12045 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,2,0,0,0,0|1,0,0]=3 12046 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,2,0,0,0,0|1,0,0]=3 12047 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,2,0,0,0,0|1,0,0]=3 12048 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|0,0,2]=4 12049 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|0,0,2]=4 12050 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|0,0,2]=4 12051 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|0,0,2]=4 12052 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|0,0,2]=4 12053 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|0,0,2]=4 12054 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|0,0,2]=4 12055 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,0,2]=4 12056 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,2,0,0,0,0|1,0,0]=3 12057 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,2,0,0,0,0|1,0,0]=3 12058 B10R0.74 CCCOCCNC(C)C#N 2230a_100000737613_100011215938 [0,2,0,0,0,0|2,0,0]=4 12059 B10R0.74 CCCOCCNC(C)C#N 2230a_100161115042_100000184139 [0,2,0,0,0,0|2,0,0]=4 12060 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,2,0,0,0,0|2,0,0]=4 12061 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,2,0,0,0,0|2,0,0]=4 12062 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,2,0,0,0,0|2,0,0]=4 12063 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,2,0,0,0,0|1,0,0]=3 12064 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,2,0,0,0,0|1,0,0]=3 12065 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,2,0,0,0,0|1,0,0]=3 12066 B10R0.74 CCCOCCOC(C)C#N 34a_100011218135_100011215938 [0,2,0,0,0,0|2,0,0]=4 12067 B10R0.74 CCCOCCOC(C)C#N 7a_100000752267_100000703298 [0,2,0,0,0,0|2,0,0]=4 12068 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,2,0,0,0,0|2,0,0]=4 12069 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,2,0,0,0,0|2,0,0]=4 12070 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,2,0,0,0,0|2,0,0]=4 12071 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,2,0,0,0,0|2,0,0]=4 12072 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,2,0,0,0,0|2,0,0]=4 12073 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,2,0,0,0,0|2,0,0]=4 12074 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,2,0,0,0,0|1,0,0]=3 12075 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,2,0,0,0,0|1,0,0]=3 12076 B10R0.74 CCCOCCSC(C)C#N 62a_100000703298_100011215938 [0,2,0,0,0,0|2,0,0]=4 12077 B10R0.74 CCCOCCSC(C)C#N 62a_100011215938_100000703298 [0,2,0,0,0,0|2,0,0]=4 12078 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,2,0,0,0,0|2,0,0]=4 12079 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,2,0,0,0,0|2,0,0]=4 12080 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,2,0,0,0,0|1,0,0]=3 12081 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,2,0,0,0,0|1,0,0]=3 12082 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,2,0,0,0,0|1,0,0]=3 12083 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,2,0,0,0,0|1,0,0]=3 12084 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,2,0,0,0,0|1,0,0]=3 12085 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|0,0,2]=4 12086 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|0,0,2]=4 12087 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,2]=4 12088 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,2]=4 12089 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,2,0,0,0,0|2,0,0]=4 12090 B10R0.74 CCCSCCNC(C)C#N 2230a_100020603323_100000184139 [0,2,0,0,0,0|2,0,0]=4 12091 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,2,0,0,0,0|2,0,0]=4 12092 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,2,0,0,0,0|1,0,0]=3 12093 B10R0.74 CCCSCCOC(C)C#N 7a_200000230433_100000703298 [0,2,0,0,0,0|2,0,0]=4 12094 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,2,0,0,0,0|2,0,0]=4 12095 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,2,0,0,0,0|2,0,0]=4 12096 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,2,0,0,0,0|1,0,0]=3 12097 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,2,0,0,0,0|1,0,0]=3 12098 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 12099 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,2,0,0,0,0|2,0,0]=4 12100 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 12101 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|2,0,0]=4 12102 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|0,0,2]=4 12103 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,0,2]=4 12104 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,0,2]=4 12105 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,0,2]=4 12106 B10R0.74 CCOCCCNC(C)C#N 2230a_100000210961_100000184139 [0,2,0,0,0,0|2,0,0]=4 12107 B10R0.74 CCOCCCNC(C)C#N 2230a_100000737613_100012232248 [0,2,0,0,0,0|2,0,0]=4 12108 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,2,0,0,0,0|2,0,0]=4 12109 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,2,0,0,0,0|2,0,0]=4 12110 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,2,0,0,0,0|2,0,0]=4 12111 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,2,0,0,0,0|1,0,0]=3 12112 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,2,0,0,0,0|1,0,0]=3 12113 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,2,0,0,0,0|1,0,0]=3 12114 B10R0.74 CCOCCCOC(C)C#N 34a_100011218135_100012232248 [0,2,0,0,0,0|2,0,0]=4 12115 B10R0.74 CCOCCCOC(C)C#N 7a_100000757476_100000703298 [0,2,0,0,0,0|2,0,0]=4 12116 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,2,0,0,0,0|2,0,0]=4 12117 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,2,0,0,0,0|2,0,0]=4 12118 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,2,0,0,0,0|2,0,0]=4 12119 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,2,0,0,0,0|2,0,0]=4 12120 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,2,0,0,0,0|2,0,0]=4 12121 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,2,0,0,0,0|2,0,0]=4 12122 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,2,0,0,0,0|1,0,0]=3 12123 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,2,0,0,0,0|1,0,0]=3 12124 B10R0.74 CCOCCCSC(C)C#N 62a_100000703298_100012232248 [0,2,0,0,0,0|2,0,0]=4 12125 B10R0.74 CCOCCCSC(C)C#N 62a_100012232248_100000703298 [0,2,0,0,0,0|2,0,0]=4 12126 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,2,0,0,0,0|2,0,0]=4 12127 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,2,0,0,0,0|2,0,0]=4 12128 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,2,0,0,0,0|1,0,0]=3 12129 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,2,0,0,0,0|1,0,0]=3 12130 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,2,0,0,0,0|1,0,0]=3 12131 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,2,0,0,0,0|1,0,0]=3 12132 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,2,0,0,0,0|1,0,0]=3 12133 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,2,0,0,0,0|2,0,0]=4 12134 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,2,0,0,0,0|2,0,0]=4 12135 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,2,0,0,0,0|2,0,0]=4 12136 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,2,0,0,0,0|2,0,0]=4 12137 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,2,0,0,0,0|1,0,0]=3 12138 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,2,0,0,0,0|1,0,0]=3 12139 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,2,0,0,0,0|1,0,0]=3 12140 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,2,0,0,0,0|1,0,0]=3 12141 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,2,0,0,0,0|1,0,0]=3 12142 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,2,0,0,0,0|1,0,0]=3 12143 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,2,0,0,0,0|2,0,0]=4 12144 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,2,0,0,0,0|2,0,0]=4 12145 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,2,0,0,0,0|1,0,0]=3 12146 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,2,0,0,0,0|1,0,0]=3 12147 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,2,0,0,0,0|1,0,0]=3 12148 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,2,0,0,0,0|2,0,0]=4 12149 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,2,0,0,0,0|1,0,0]=3 12150 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,2,0,0,0,0|1,0,0]=3 12151 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,2,0,0,0,0|1,0,0]=3 12152 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,2,0,0,0,0|1,0,0]=3 12153 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,2,0,0,0,0|1,0,0]=3 12154 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,2,0,0,0,0|2,0,0]=4 12155 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,2,0,0,0,0|2,0,0]=4 12156 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,2,0,0,0,0|2,0,0]=4 12157 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,2,0,0,0,0|1,0,0]=3 12158 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,2,0,0,0,0|2,0,0]=4 12159 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,2,0,0,0,0|1,0,0]=3 12160 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,2,0,0,0,0|1,0,0]=3 12161 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,2,0,0,0,0|1,0,0]=3 12162 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,2,0,0,0,0|1,0,0]=3 12163 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,2,0,0,0,0|2,0,0]=4 12164 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,2,0,0,0,0|2,0,0]=4 12165 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,2,0,0,0,0|2,0,0]=4 12166 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,2,0,0,0,0|1,0,0]=3 12167 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,2,0,0,0,0|1,0,0]=3 12168 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,2,0,0,0,0|1,0,0]=3 12169 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,2,0,0,0,0|1,0,0]=3 12170 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,2,0,0,0,0|1,0,0]=3 12171 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,2,0,0,0,0|1,0,0]=3 12172 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,2,0,0,0,0|2,0,0]=4 12173 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,2,0,0,0,0|2,0,0]=4 12174 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,2,0,0,0,0|2,0,0]=4 12175 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,2,0,0,0,0|1,0,0]=3 12176 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,2,0,0,0,0|1,0,0]=3 12177 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,2,0,0,0,0|1,0,0]=3 12178 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,2,0,0,0,0|1,0,0]=3 12179 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,2,0,0,0,0|2,0,0]=4 12180 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,2,0,0,0,0|2,0,0]=4 12181 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,2,0,0,0,0|1,0,0]=3 12182 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,2,0,0,0,0|1,0,0]=3 12183 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,2,0,0,0,0|1,0,0]=3 12184 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,2,0,0,0,0|1,0,0]=3 12185 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,2,0,0,0,0|1,0,0]=3 12186 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,2,0,0,0,0|1,0,0]=3 12187 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,2]=4 12188 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,2]=4 12189 B10R0.74 CCSCCCOC(C)C#N 7a_100011216438_100000703298 [0,2,0,0,0,0|2,0,0]=4 12190 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,2,0,0,0,0|2,0,0]=4 12191 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,2,0,0,0,0|2,0,0]=4 12192 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,2,0,0,0,0|1,0,0]=3 12193 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,2,0,0,0,0|1,0,0]=3 12194 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,2,0,0,0,0|2,0,0]=4 12195 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,2,0,0,0,0|2,0,0]=4 12196 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,2,0,0,0,0|2,0,0]=4 12197 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,2,0,0,0,0|1,0,0]=3 12198 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,2,0,0,0,0|1,0,0]=3 12199 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,2,0,0,0,0|1,0,0]=3 12200 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,2,0,0,0,0|1,0,0]=3 12201 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,2,0,0,0,0|2,0,0]=4 12202 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,2,0,0,0,0|1,0,0]=3 12203 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,2,0,0,0,0|1,0,0]=3 12204 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,2,0,0,0,0|2,0,0]=4 12205 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,2,0,0,0,0|1,0,0]=3 12206 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,2,0,0,0,0|1,0,0]=3 12207 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,2,0,0,0,0|1,0,0]=3 12208 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,2,0,0,0,0|2,0,0]=4 12209 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,2,0,0,0,0|2,0,0]=4 12210 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,2,0,0,0,0|2,0,0]=4 12211 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,2,0,0,0,0|1,0,0]=3 12212 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,2,0,0,0,0|2,0,0]=4 12213 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,2,0,0,0,0|1,0,0]=3 12214 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,2,0,0,0,0|1,0,0]=3 12215 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,2,0,0,0,0|1,0,0]=3 12216 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,2,0,0,0,0|1,0,0]=3 12217 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,2,0,0,0,0|2,0,0]=4 12218 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,2,0,0,0,0|2,0,0]=4 12219 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,2,0,0,0,0|2,0,0]=4 12220 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,2,0,0,0,0|1,0,0]=3 12221 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,2,0,0,0,0|1,0,0]=3 12222 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,2,0,0,0,0|1,0,0]=3 12223 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,2,0,0,0,0|1,0,0]=3 12224 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,2,0,0,0,0|1,0,0]=3 12225 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,2,0,0,0,0|1,0,0]=3 12226 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,2,0,0,0,0|2,0,0]=4 12227 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,2,0,0,0,0|2,0,0]=4 12228 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,2,0,0,0,0|2,0,0]=4 12229 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,2,0,0,0,0|1,0,0]=3 12230 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,2,0,0,0,0|1,0,0]=3 12231 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,2,0,0,0,0|1,0,0]=3 12232 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,2,0,0,0,0|1,0,0]=3 12233 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,2,0,0,0,0|2,0,0]=4 12234 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,2,0,0,0,0|2,0,0]=4 12235 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,2,0,0,0,0|1,0,0]=3 12236 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,2,0,0,0,0|1,0,0]=3 12237 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,2,0,0,0,0|1,0,0]=3 12238 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,2,0,0,0,0|1,0,0]=3 12239 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,2,0,0,0,0|1,0,0]=3 12240 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,2,0,0,0,0|1,0,0]=3 12241 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,2,0,0,0,0|2,0,0]=4 12242 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,2,0,0,0,0|2,0,0]=4 12243 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,2,0,0,0,0|2,0,0]=4 12244 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,2,0,0,0,0|2,0,0]=4 12245 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,2,0,0,0,0|2,0,0]=4 12246 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,2,0,0,0,0|2,0,0]=4 12247 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,2,0,0,0,0|2,0,0]=4 12248 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,2,0,0,0,0|2,0,0]=4 12249 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,2,0,0,0,0|2,0,0]=4 12250 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,2,0,0,0,0|2,0,0]=4 12251 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,2,0,0,0,0|2,0,0]=4 12252 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,2,0,0,0,0|2,0,0]=4 12253 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|2,0,0]=4 12254 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,2,0,0,0,0|2,0,0]=4 12255 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,2,0,0,0,0|2,0,0]=4 12256 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,2,0,0,0,0|2,0,0]=4 12257 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,2,0,0,0,0|2,0,0]=4 12258 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,2,0,0,0,0|2,0,0]=4 12259 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,2,0,0,0,0|2,0,0]=4 12260 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,2,0,0,0,0|2,0,0]=4 12261 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,2,0,0,0,0|2,0,0]=4 12262 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,2,0,0,0,0|2,0,0]=4 12263 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,2,0,0,0,0|2,0,0]=4 12264 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,2,0,0,0,0|2,0,0]=4 12265 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|0,0,2]=4 12266 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|0,0,2]=4 12267 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|0,0,2]=4 12268 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|0,0,2]=4 12269 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|0,0,2]=4 12270 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,2]=4 12271 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,2]=4 12272 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,2]=4 12273 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,2,0,0,0,0|1,0,0]=3 12274 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,2,0,0,0,0|1,0,0]=3 12275 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,2,0,0,0,0|1,0,0]=3 12276 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,2,0,0,0,0|1,0,0]=3 12277 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,0,2]=4 12278 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,0,2]=4 12279 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,2]=4 12280 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,2]=4 12281 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,2]=4 12282 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,2]=4 12283 B10R0.74 COC(C)CCOCCC#N 7a_100000764861_100000184422 [0,2,0,0,0,0|1,0,1]=4 12284 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,2,0,0,0,0|1,0,0]=3 12285 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,2,0,0,0,0|1,0,0]=3 12286 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,2,0,0,0,0|1,0,0]=3 12287 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,2,0,0,0,0|1,0,0]=3 12288 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,2,0,0,0,0|1,0,0]=3 12289 B10R0.74 COC(C)SCCCCC#N 62a_100009879195_100000211819 [0,2,0,0,0,0|1,0,1]=4 12290 B10R0.74 COC(C)SCCCCC#N 62a_100011219923_100009879195 [0,2,0,0,0,0|1,0,1]=4 12291 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,2,0,0,0,0|1,0,1]=4 12292 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,2,0,0,0,0|1,0,1]=4 12293 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,2,0,0,0,0|1,0,0]=3 12294 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,2,0,0,0,0|1,0,0]=3 12295 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,2,0,0,0,0|1,0,0]=3 12296 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,2,0,0,0,0|1,0,0]=3 12297 B10R0.74 COC(C)SCCOCCO 62a_100009879195_100011215305 [0,2,0,0,0,0|2,0,0]=4 12298 B10R0.74 COC(C)SCCOCCO 62a_100011215305_100009879195 [0,2,0,0,0,0|2,0,0]=4 12299 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|0,0,2]=4 12300 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,0,2]=4 12301 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,0,2]=4 12302 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,0,2]=4 12303 B10R0.74 COCCCCNC(C)C#N 2230a_100000737613_100000730899 [0,2,0,0,0,0|2,0,0]=4 12304 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,2,0,0,0,0|1,0,0]=3 12305 B10R0.74 COCCCCOC(C)C#N 34a_100011218135_100000755781 [0,2,0,0,0,0|2,0,0]=4 12306 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,2,0,0,0,0|2,0,0]=4 12307 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,2,0,0,0,0|2,0,0]=4 12308 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,2,0,0,0,0|2,0,0]=4 12309 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,2,0,0,0,0|1,0,0]=3 12310 B10R0.74 COCCCCSC(C)C#N 62a_100000703298_100000730899 [0,2,0,0,0,0|2,0,0]=4 12311 B10R0.74 COCCCCSC(C)C#N 62a_100000730899_100000703298 [0,2,0,0,0,0|2,0,0]=4 12312 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,2,0,0,0,0|1,0,0]=3 12313 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,2,0,0,0,0|1,0,0]=3 12314 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,2,0,0,0,0|1,0,0]=3 12315 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,2,0,0,0,0|1,0,0]=3 12316 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,2,0,0,0,0|1,0,0]=3 12317 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,2,0,0,0,0|1,0,0]=3 12318 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,2,0,0,0,0|1,0,0]=3 12319 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,2,0,0,0,0|1,0,0]=3 12320 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,2,0,0,0,0|1,0,0]=3 12321 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,2,0,0,0,0|2,0,0]=4 12322 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,2,0,0,0,0|1,0,0]=3 12323 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,2,0,0,0,0|1,0,0]=3 12324 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,2,0,0,0,0|1,0,0]=3 12325 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,2,0,0,0,0|2,0,0]=4 12326 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,2,0,0,0,0|1,0,0]=3 12327 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,2,0,0,0,0|2,0,0]=4 12328 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,2,0,0,0,0|1,0,0]=3 12329 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,2,0,0,0,0|1,0,0]=3 12330 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,2,0,0,0,0|1,0,0]=3 12331 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,2,0,0,0,0|1,0,0]=3 12332 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,2,0,0,0,0|2,0,0]=4 12333 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,2,0,0,0,0|1,0,0]=3 12334 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,2,0,0,0,0|1,0,0]=3 12335 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,2,0,0,0,0|1,0,0]=3 12336 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,2,0,0,0,0|1,0,0]=3 12337 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,2,0,0,0,0|1,0,0]=3 12338 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,2,0,0,0,0|1,0,0]=3 12339 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,2,0,0,0,0|1,0,0]=3 12340 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,2,0,0,0,0|1,0,0]=3 12341 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,2,0,0,0,0|1,0,0]=3 12342 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,2,0,0,0,0|1,0,0]=3 12343 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,2,0,0,0,0|1,0,0]=3 12344 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,2,0,0,0,0|2,0,0]=4 12345 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,2,0,0,0,0|2,0,0]=4 12346 B10R0.74 COCCOCSC(C)OC 62a_100000231047_100009879195 [0,2,0,0,0,0|2,0,0]=4 12347 B10R0.74 COCCOCSC(C)OC 62a_100009879195_100000231047 [0,2,0,0,0,0|2,0,0]=4 12348 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,2,0,0,0,0|2,0,0]=4 12349 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,2,0,0,0,0|2,0,0]=4 12350 B10R0.74 CO[C@H](C)CNCCCC#N 2230a_100020591295_100000687738 [0,2,0,0,0,0|1,0,1]=4 12351 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [0,2,0,0,0,0|1,0,1]=4 12352 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,2,0,0,0,0|1,0,0]=3 12353 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,2,0,0,0,0|1,0,0]=3 12354 B10R0.74 CSCCCCOC(C)C#N 7a_100011217163_100000703298 [0,2,0,0,0,0|2,0,0]=4 12355 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,2,0,0,0,0|1,0,0]=3 12356 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,2,0,0,0,0|1,0,0]=3 12357 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,2,0,0,0,0|1,0,0]=3 12358 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,2,0,0,0,0|1,0,0]=3 12359 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,2,0,0,0,0|1,0,0]=3 12360 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,2,0,0,0,0|1,0,0]=3 12361 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,2,0,0,0,0|1,0,0]=3 12362 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,2,0,0,0,0|1,0,0]=3 12363 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,2,0,0,0,0|1,0,0]=3 12364 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,2,0,0,0,0|1,0,0]=3 12365 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,2,0,0,0,0|1,0,0]=3 12366 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,2,0,0,0,0|1,0,0]=3 12367 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,2,0,0,0,0|1,0,0]=3 12368 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,2,0,0,0,0|1,0,0]=3 12369 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,2,0,0,0,0|1,0,0]=3 12370 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,2,0,0,0,0|1,0,0]=3 12371 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,2,0,0,0,0|2,0,0]=4 12372 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,2,0,0,0,0|2,0,0]=4 12373 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,2,0,0,0,0|2,0,0]=4 12374 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,2,0,0,0,0|1,0,0]=3 12375 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,2,0,0,0,0|1,0,0]=3 12376 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,2,0,0,0,0|1,0,0]=3 12377 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,2,0,0,0,0|1,0,0]=3 12378 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,2,0,0,0,0|1,0,0]=3 12379 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,2,0,0,0,0|1,0,0]=3 12380 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,2,0,0,0,0|1,0,0]=3 12381 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,2,0,0,0,0|1,0,0]=3 12382 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,2,0,0,0,0|1,0,0]=3 12383 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000059175_100000687738 [0,2,0,0,0,0|1,0,1]=4 12384 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000687738_100000059175 [0,2,0,0,0,0|1,0,1]=4 12385 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,2,0,0,0,0|1,0,1]=4 12386 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,2,0,0,0,0|1,0,1]=4 12387 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,2,0,0,0,0|1,0,0]=3 12388 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,2,0,0,0,0|1,0,0]=3 12389 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,2,0,0,0,0|1,0,0]=3 12390 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,2,0,0,0,0|1,0,0]=3 12391 B10R0.74 C[C@H](CO)NCCCCC#N 2230a_100000737577_100000211819 [0,2,0,0,0,0|1,0,1]=4 12392 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,2,0,0,0,0|1,0,1]=4 12393 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,2,0,0,0,0|1,0,0]=3 12394 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,2,0,0,0,0|1,0,0]=3 12395 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [0,2,0,0,0,0|2,0,0]=4 12396 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100011219923_100016084084 [0,2,0,0,0,0|1,0,1]=4 12397 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100016084084_100000211819 [0,2,0,0,0,0|1,0,1]=4 12398 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,2,0,0,0,0|1,0,1]=4 12399 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,2,0,0,0,0|1,0,1]=4 12400 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,2,0,0,0,0|1,0,0]=3 12401 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,2,0,0,0,0|1,0,0]=3 12402 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,2,0,0,0,0|1,0,0]=3 12403 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,2,0,0,0,0|1,0,0]=3 12404 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [0,2,0,0,0,0|2,0,0]=4 12405 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [0,2,0,0,0,0|2,0,0]=4 12406 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,2,0,0,0,0|2,0,0]=4 12407 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,2,0,0,0,0|1,0,1]=4 12408 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,2,0,0,0,0|1,0,1]=4 12409 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,2,0,0,0,0|1,0,1]=4 12410 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100000687738_100015614560 [0,2,0,0,0,0|1,0,1]=4 12411 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100015614560_100000687738 [0,2,0,0,0,0|1,0,1]=4 12412 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,2,0,0,0,0|1,0,1]=4 12413 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,2,0,0,0,0|1,0,1]=4 12414 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 12415 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 12416 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 12417 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,2,0,0,0,0|2,0,0]=4 12418 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,2,0,0,0,0|2,0,0]=4 12419 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|0,0,2]=4 12420 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|0,0,2]=4 12421 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|0,0,2]=4 12422 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,2,0,0,0,0|1,0,1]=4 12423 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,2,0,0,0,0|1,0,1]=4 12424 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,2,0,0,0,0|1,0,1]=4 12425 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,2,0,0,0,0|1,0,1]=4 12426 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,2,0,0,0,0|1,0,1]=4 12427 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,2,0,0,0,0|1,0,1]=4 12428 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,2,0,0,0,0|1,0,1]=4 12429 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,2,0,0,0,0|1,0,0]=3 12430 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 12431 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 12432 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,2,0,0,0,0|1,0,0]=3 12433 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,2,0,0,0,0|1,0,0]=3 12434 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,2,0,0,0,0|1,0,0]=3 12435 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,2,0,0,0,0|1,0,0]=3 12436 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,2,0,0,0,0|1,0,0]=3 12437 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 12438 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,2,0,0,0,0|1,0,0]=3 12439 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,2,0,0,0,0|2,0,0]=4 12440 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 12441 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,2,0,0,0,0|1,0,0]=3 12442 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 12443 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,2,0,0,0,0|1,0,0]=3 12444 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,2,0,0,0,0|1,0,0]=3 12445 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,2,0,0,0,0|2,0,0]=4 12446 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,2,0,0,0,0|1,0,0]=3 12447 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,2,0,0,0,0|1,0,0]=3 12448 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 12449 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,2,0,0,0,0|1,0,0]=3 12450 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 12451 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,2,0,0,0,0|1,0,0]=3 12452 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,2,0,0,0,0|1,0,0]=3 12453 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,2,0,0,0,0|2,0,0]=4 12454 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,2,0,0,0,0|1,0,0]=3 12455 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 12456 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,2,0,0,0,0|1,0,0]=3 12457 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,2,0,0,0,0|1,0,0]=3 12458 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,2,0,0,0,0|1,0,0]=3 12459 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,2,0,0,0,0|1,0,0]=3 12460 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,2,0,0,0,0|1,0,0]=3 12461 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,2,0,0,0,0|1,0,0]=3 12462 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,2,0,0,0,0|1,0,0]=3 12463 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 12464 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,2,0,0,0,0|1,0,0]=3 12465 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,2,0,0,0,0|1,0,0]=3 12466 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,2,0,0,0,0|1,0,0]=3 12467 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,2,0,0,0,0|1,0,0]=3 12468 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,2,0,0,0,0|1,0,0]=3 12469 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,2,0,0,0,0|1,0,0]=3 12470 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|0,0,2]=4 12471 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|0,0,2]=4 12472 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|0,0,2]=4 12473 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|1,0,1]=4 12474 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|0,0,2]=4 12475 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|0,0,2]=4 12476 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|1,0,1]=4 12477 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|1,0,1]=4 12478 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|1,0,1]=4 12479 B10R0.75 CC(C)C(C)NCCCCF 2230a_100000211541_100000729493 [0,2,0,0,0,0|2,0,0]=4 12480 B10R0.75 CC(C)C(C)NCCCCO 2230a_100000211541_100000210776 [0,2,0,0,0,0|2,0,0]=4 12481 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [0,2,0,0,0,0|2,0,0]=4 12482 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [0,2,0,0,0,0|2,0,0]=4 12483 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [0,2,0,0,0,0|2,0,0]=4 12484 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,2,0,0,0,0|2,0,0]=4 12485 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,2,0,0,0,0|2,0,0]=4 12486 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,2,0,0,0,0|2,0,0]=4 12487 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,2,0,0,0,0|2,0,0]=4 12488 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,2,0,0,0,0|2,0,0]=4 12489 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,2,0,0,0,0|2,0,0]=4 12490 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 12491 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 12492 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,2,0,0,0,0|2,0,0]=4 12493 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 12494 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,2,0,0,0,0|2,0,0]=4 12495 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,2,0,0,0,0|2,0,0]=4 12496 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 12497 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 12498 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,2,0,0,0,0|2,0,0]=4 12499 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [0,2,0,0,0,0|2,0,0]=4 12500 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [0,2,0,0,0,0|2,0,0]=4 12501 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|2,0,0]=4 12502 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|2,0,0]=4 12503 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|1,0,1]=4 12504 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|1,0,1]=4 12505 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|0,0,2]=4 12506 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|0,0,2]=4 12507 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|1,0,0]=3 12508 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|1,0,0]=3 12509 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,0]=3 12510 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|1,0,0]=3 12511 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 12512 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 12513 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 12514 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|0,0,2]=4 12515 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,0]=2 12516 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,0]=2 12517 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|0,0,1]=3 12518 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,2,0,0,0,0|1,0,0]=3 12519 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,2,0,0,0,0|1,0,0]=3 12520 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,2,0,0,0,0|1,0,0]=3 12521 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,0]=2 12522 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,0]=2 12523 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|0,0,2]=4 12524 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|0,0,2]=4 12525 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|0,0,2]=4 12526 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|0,0,2]=4 12527 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,2,0,0,0,0|1,0,0]=3 12528 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,2,0,0,0,0|1,0,0]=3 12529 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,2,0,0,0,0|1,0,0]=3 12530 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 12531 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 12532 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 12533 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 12534 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 12535 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 12536 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 12537 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 12538 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,1]=4 12539 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|0,0,1]=3 12540 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|0,0,1]=3 12541 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|0,0,1]=3 12542 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|0,0,2]=4 12543 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|1,0,1]=4 12544 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,2,0,0,0,0|1,0,0]=3 12545 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|1,0,0]=3 12546 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|1,0,1]=4 12547 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|1,0,1]=4 12548 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|0,0,2]=4 12549 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|0,0,2]=4 12550 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|1,0,1]=4 12551 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|1,0,1]=4 12552 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,2,0,0,0,0|1,0,0]=3 12553 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|1,0,1]=4 12554 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|1,0,1]=4 12555 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|1,0,1]=4 12556 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|0,0,2]=4 12557 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|0,0,2]=4 12558 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|1,0,1]=4 12559 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|1,0,1]=4 12560 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|1,0,1]=4 12561 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|1,0,1]=4 12562 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|1,0,0]=3 12563 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|1,0,1]=4 12564 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,2,0,0,0,0|1,0,0]=3 12565 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|1,0,0]=3 12566 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,2,0,0,0,0|1,0,1]=4 12567 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|1,0,1]=4 12568 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|1,0,1]=4 12569 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|1,0,1]=4 12570 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|1,0,1]=4 12571 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|1,0,1]=4 12572 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|1,0,1]=4 12573 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|1,0,1]=4 12574 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,1]=4 12575 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|0,0,1]=3 12576 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|0,0,1]=3 12577 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|0,0,2]=4 12578 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|0,0,2]=4 12579 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,2,0,0,0,0|1,0,1]=4 12580 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,2,0,0,0,0|1,0,1]=4 12581 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,2,0,0,0,0|2,0,0]=4 12582 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|1,0,0]=3 12583 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|1,0,1]=4 12584 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|1,0,1]=4 12585 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|1,0,1]=4 12586 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|1,0,1]=4 12587 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|1,0,1]=4 12588 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,1]=4 12589 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|0,0,1]=3 12590 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|0,0,1]=3 12591 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,2,0,0,0,0|1,0,0]=3 12592 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [0,2,0,0,0,0|2,0,0]=4 12593 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|1,0,1]=4 12594 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|1,0,1]=4 12595 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,1]=4 12596 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|0,0,1]=3 12597 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|0,0,1]=3 12598 B10R0.75 CCOCCCN(C)C(C)C 269982a_200000211004_100012232248 [0,2,0,0,0,0|2,0,0]=4 12599 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|1,0,1]=4 12600 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|1,0,1]=4 12601 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|1,0,1]=4 12602 B10R0.75 CCOCCNC(C)C(C)C 2230a_100000211541_100011215890 [0,2,0,0,0,0|2,0,0]=4 12603 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|2,0,0]=4 12604 B10R0.75 CCOCCOC(C)C(C)C 7a_100000748068_100011215890 [0,2,0,0,0,0|2,0,0]=4 12605 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|2,0,0]=4 12606 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|1,0,1]=4 12607 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|1,0,1]=4 12608 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|1,0,1]=4 12609 B10R0.75 CCSCCNC(C)C(C)C 2230a_100000211541_100000757381 [0,2,0,0,0,0|2,0,0]=4 12610 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|2,0,0]=4 12611 B10R0.75 CCSCCOC(C)C(C)C 7a_100000748068_100000757381 [0,2,0,0,0,0|2,0,0]=4 12612 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|1,0,1]=4 12613 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,0,1]=4 12614 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,1]=4 12615 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|0,0,1]=3 12616 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|0,0,1]=3 12617 B10R0.75 COCCCCN(C)C(C)C 269982a_200000211004_100000730899 [0,2,0,0,0,0|2,0,0]=4 12618 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|1,0,1]=4 12619 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|1,0,1]=4 12620 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|1,0,1]=4 12621 B10R0.75 COCCCNC(C)C(C)C 2230a_100000211541_100000740836 [0,2,0,0,0,0|2,0,0]=4 12622 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|2,0,0]=4 12623 B10R0.75 COCCCOC(C)C(C)C 7a_100000748068_100000740836 [0,2,0,0,0,0|2,0,0]=4 12624 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|2,0,0]=4 12625 B10R0.75 COCCNCC(O)C(C)C 2230a_100000759067_100011201679 [0,2,0,0,0,0|2,0,0]=4 12626 B10R0.75 COCCNCC(O)C(C)C 34a_100000759067_100011201679 [0,2,0,0,0,0|2,0,0]=4 12627 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [0,2,0,0,0,0|2,0,0]=4 12628 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|1,0,1]=4 12629 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|1,0,1]=4 12630 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|1,0,1]=4 12631 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|2,0,0]=4 12632 B10R0.75 CSCCNCC(O)C(C)C 2230a_100000759067_100000751147 [0,2,0,0,0,0|2,0,0]=4 12633 B10R0.75 CSCCNCC(O)C(C)C 34a_100000759067_100000212216 [0,2,0,0,0,0|2,0,0]=4 12634 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [0,2,0,0,0,0|2,0,0]=4 12635 B10R0.75 CSCOCCC(N)C(C)C 34a_100161115045_100011218213 [0,2,0,0,0,0|2,0,0]=4 12636 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|0,0,2]=4 12637 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|0,0,1]=3 12638 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|0,0,1]=3 12639 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|1,0,1]=4 12640 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|1,0,1]=4 12641 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|2,0,0]=4 12642 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|2,0,0]=4 12643 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|0,0,2]=4 12644 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|0,0,1]=3 12645 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|0,0,1]=3 12646 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|1,0,1]=4 12647 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|1,0,1]=4 12648 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,1]=4 12649 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,1]=4 12650 B10R0.78 C#CCCC(=O)CCC(C)O 1458a_100000692101_100012276601 [0,2,0,0,0,0|0,0,2]=4 12651 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|1,0,1]=4 12652 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|1,0,1]=4 12653 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,2,0,0,0,0|1,0,1]=4 12654 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,2,0,0,0,0|1,0,1]=4 12655 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,2,0,0,0,0|1,0,1]=4 12656 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,2,0,0,0,0|1,0,1]=4 12657 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,2,0,0,0,0|1,0,1]=4 12658 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,2,0,0,0,0|1,0,1]=4 12659 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,2,0,0,0,0|1,0,1]=4 12660 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,2,0,0,0,0|1,0,1]=4 12661 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,2,0,0,0,0|1,0,1]=4 12662 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,2,0,0,0,0|0,0,2]=4 12663 B10R0.78 C=CCCC(C)NCC(C)O 270004a_100000210904_100000762624 [0,2,0,0,0,0|0,0,2]=4 12664 B10R0.78 C=CCCC(C)OCC(C)O 34a_100000765329_100011218427 [0,2,0,0,0,0|0,0,2]=4 12665 B10R0.78 C=CCCC(C)OCC(C)O 7a_100000765329_100011218427 [0,2,0,0,0,0|0,0,2]=4 12666 B10R0.78 C=CCCC(C)OC[C@@H](C)O 34a_100000765329_100009817552 [0,2,0,0,0,0|0,0,2]=4 12667 B10R0.78 C=CCCC(C)OC[C@@H](C)O 7a_100000765329_100009817552 [0,2,0,0,0,0|0,0,2]=4 12668 B10R0.78 C=CCCN(C)CCC(C)O 2230a_100020639649_100012276601 [0,2,0,0,0,0|0,0,2]=4 12669 B10R0.78 C=CCCN(C)CCC(C)O 269982a_100020639649_100012276601 [0,2,0,0,0,0|0,0,2]=4 12670 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,2,0,0,0,0|1,0,1]=4 12671 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,2,0,0,0,0|1,0,1]=4 12672 B10R0.78 CC(C)CCC(C)NCCF 2230a_100138410893_100011217306 [0,2,0,0,0,0|2,0,0]=4 12673 B10R0.78 CC(C)CCC(C)NCCF 34a_100000724931_100011261404 [0,2,0,0,0,0|2,0,0]=4 12674 B10R0.78 CC(C)CCC(C)NCCO 2230a_100016997473_100011261404 [0,2,0,0,0,0|2,0,0]=4 12675 B10R0.78 CC(C)CCC(C)NCCO 2230a_100138410893_100000211926 [0,2,0,0,0,0|2,0,0]=4 12676 B10R0.78 CC(C)CCC(C)NCCO 270004a_100000210304_100000210476 [0,2,0,0,0,0|2,0,0]=4 12677 B10R0.78 CC(C)CCC(C)NCCO 34a_100016990907_100011261404 [0,2,0,0,0,0|2,0,0]=4 12678 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [0,2,0,0,0,0|2,0,0]=4 12679 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [0,2,0,0,0,0|2,0,0]=4 12680 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [0,2,0,0,0,0|2,0,0]=4 12681 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [0,2,0,0,0,0|2,0,0]=4 12682 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [0,2,0,0,0,0|2,0,0]=4 12683 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [0,2,0,0,0,0|2,0,0]=4 12684 B10R0.78 CC(C)CCC(C)SCCF 62a_100011217306_100011261404 [0,2,0,0,0,0|2,0,0]=4 12685 B10R0.78 CC(C)CCC(C)SCCF 62a_100011261404_100011217306 [0,2,0,0,0,0|2,0,0]=4 12686 B10R0.78 CC(C)CCC(C)SCCO 62a_100000211926_100011261404 [0,2,0,0,0,0|2,0,0]=4 12687 B10R0.78 CC(C)CCC(C)SCCO 62a_100011261404_100000211926 [0,2,0,0,0,0|2,0,0]=4 12688 B10R0.78 CC(C)CCN(C)CCCF 2230a_100000742789_100011934791 [0,2,0,0,0,0|2,0,0]=4 12689 B10R0.78 CC(C)CCN(C)CCCF 269982a_100000742789_100011934791 [0,2,0,0,0,0|2,0,0]=4 12690 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000213112_100000210312 [0,2,0,0,0,0|2,0,0]=4 12691 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000742789_100000230001 [0,2,0,0,0,0|2,0,0]=4 12692 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000213112_100000210312 [0,2,0,0,0,0|2,0,0]=4 12693 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000742789_100011215043 [0,2,0,0,0,0|2,0,0]=4 12694 B10R0.78 CC(C)COC(C)CCCCl 34a_200000718107_100000210624 [0,2,0,0,0,0|2,0,0]=4 12695 B10R0.78 CC(C)COC(C)CCCCl 7a_200000718107_100000210760 [0,2,0,0,0,0|2,0,0]=4 12696 B10R0.78 CC(C)NC[C@H](C)CCCO 2230a_100160569302_100000210206 [0,2,0,0,0,0|2,0,0]=4 12697 B10R0.78 CC(C)NC[C@H](C)CCCO 34a_100160569302_100000210206 [0,2,0,0,0,0|2,0,0]=4 12698 B10R0.78 CC(CCCCl)OC[C@@H](C)O 34a_200000718107_100009817552 [0,2,0,0,0,0|1,0,0]=3 12699 B10R0.78 CC(CCCCl)OC[C@@H](C)O 7a_200000718107_100009817552 [0,2,0,0,0,0|1,0,0]=3 12700 B10R0.78 CC(O)CCC(=O)CCC#N 1458a_100011934036_100012276601 [0,2,0,0,0,0|0,0,2]=4 12701 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,2,0,0,0,0|1,0,1]=4 12702 B10R0.78 CC(O)CCN(C)CCC#N 2230a_100000184479_100012276601 [0,2,0,0,0,0|1,0,1]=4 12703 B10R0.78 CC(O)CCN(C)CCCO 2230a_100000213112_100012276601 [0,2,0,0,0,0|1,0,0]=3 12704 B10R0.78 CC(O)CCN(C)CCCO 269982a_100000213112_100012276601 [0,2,0,0,0,0|1,0,0]=3 12705 B10R0.78 CC(O)COC(C)CCCCl 34a_200000718107_100011218427 [0,2,0,0,0,0|1,0,0]=3 12706 B10R0.78 CC(O)COC(C)CCCCl 7a_200000718107_100011218427 [0,2,0,0,0,0|1,0,0]=3 12707 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,2,0,0,0,0|0,0,2]=4 12708 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,2,0,0,0,0|0,0,2]=4 12709 B10R0.78 CCC#CC(C)OCC(C)O 34a_100000033903_100011218427 [0,2,0,0,0,0|0,0,2]=4 12710 B10R0.78 CCC#CC(C)OCC(C)O 7a_100000033903_100011218427 [0,2,0,0,0,0|0,0,2]=4 12711 B10R0.78 CCC#CC(C)OC[C@@H](C)O 34a_100000033903_100009817552 [0,2,0,0,0,0|0,0,2]=4 12712 B10R0.78 CCC#CC(C)OC[C@@H](C)O 7a_100000033903_100009817552 [0,2,0,0,0,0|0,0,2]=4 12713 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,2,0,0,0,0|0,0,2]=4 12714 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,2,0,0,0,0|1,0,0]=3 12715 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,2,0,0,0,0|1,0,0]=3 12716 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|0,0,0]=2 12717 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,2,0,0,0,0|2,0,0]=4 12718 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,2,0,0,0,0|1,0,1]=4 12719 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,2,0,0,0,0|1,0,1]=4 12720 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,2,0,0,0,0|1,0,1]=4 12721 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,2,0,0,0,0|1,0,1]=4 12722 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,2,0,0,0,0|1,0,1]=4 12723 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,2,0,0,0,0|1,0,1]=4 12724 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,2,0,0,0,0|0,0,1]=3 12725 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,2,0,0,0,0|0,0,1]=3 12726 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,2,0,0,0,0|0,0,1]=3 12727 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|0,0,2]=4 12728 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|0,0,2]=4 12729 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [0,2,0,0,0,0|1,0,0]=3 12730 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [0,2,0,0,0,0|1,0,0]=3 12731 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|1,0,1]=4 12732 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [0,2,0,0,0,0|1,0,0]=3 12733 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [0,2,0,0,0,0|1,0,0]=3 12734 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [0,2,0,0,0,0|1,0,0]=3 12735 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [0,2,0,0,0,0|1,0,0]=3 12736 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [0,2,0,0,0,0|1,0,0]=3 12737 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,2,0,0,0,0|0,0,0]=2 12738 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,2,0,0,0,0|0,0,0]=2 12739 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,2,0,0,0,0|0,0,0]=2 12740 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,2,0,0,0,0|0,0,0]=2 12741 B10R0.78 CCCCC(C)NCC(F)F 2230a_100000126638_100011934356 [0,2,0,0,0,0|2,0,0]=4 12742 B10R0.78 CCCCC(C)NCC(F)F 270004a_100000765723_100000210087 [0,2,0,0,0,0|2,0,0]=4 12743 B10R0.78 CCCCC(C)NCC(F)F 34a_100000765723_200011215066 [0,2,0,0,0,0|2,0,0]=4 12744 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,2,0,0,0,0|0,0,0]=2 12745 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|0,0,2]=4 12746 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [0,2,0,0,0,0|1,0,0]=3 12747 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [0,2,0,0,0,0|1,0,0]=3 12748 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [0,2,0,0,0,0|1,0,0]=3 12749 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [0,2,0,0,0,0|1,0,0]=3 12750 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [0,2,0,0,0,0|1,0,0]=3 12751 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,2,0,0,0,0|0,0,0]=2 12752 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,2,0,0,0,0|0,0,0]=2 12753 B10R0.78 CCCCC(C)OCC(F)F 34a_100000687866_100011934356 [0,2,0,0,0,0|2,0,0]=4 12754 B10R0.78 CCCCC(C)OCC(F)F 34a_100000743014_200011215066 [0,2,0,0,0,0|2,0,0]=4 12755 B10R0.78 CCCCC(C)OCC(F)F 7a_100000687866_100011934356 [0,2,0,0,0,0|2,0,0]=4 12756 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [0,2,0,0,0,0|1,0,0]=3 12757 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [0,2,0,0,0,0|1,0,0]=3 12758 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,2,0,0,0,0|0,0,0]=2 12759 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,2,0,0,0,0|0,0,0]=2 12760 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [0,2,0,0,0,0|1,0,0]=3 12761 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [0,2,0,0,0,0|1,0,0]=3 12762 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,2,0,0,0,0|0,0,0]=2 12763 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,2,0,0,0,0|0,0,0]=2 12764 B10R0.78 CCCCC(C)SCC(F)F 62a_100011934356_200011215066 [0,2,0,0,0,0|2,0,0]=4 12765 B10R0.78 CCCCC(C)SCC(F)F 62a_200011215066_100011934356 [0,2,0,0,0,0|2,0,0]=4 12766 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,2,0,0,0,0|0,0,0]=2 12767 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,2,0,0,0,0|0,0,0]=2 12768 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|0,0,2]=4 12769 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [0,2,0,0,0,0|1,0,0]=3 12770 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [0,2,0,0,0,0|1,0,0]=3 12771 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [0,2,0,0,0,0|1,0,0]=3 12772 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [0,2,0,0,0,0|1,0,0]=3 12773 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,2,0,0,0,0|0,0,0]=2 12774 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,2,0,0,0,0|0,0,0]=2 12775 B10R0.78 CCCCN(C)CCN(C)C 269982a_100000207549_100000755713 [0,2,0,0,0,0|2,0,0]=4 12776 B10R0.78 CCCCN(C)CCN(C)C 269982a_100000225618_100000210211 [0,2,0,0,0,0|2,0,0]=4 12777 B10R0.78 CCCCN(C)COC(C)C 2230a_100000207549_100000709892 [0,2,0,0,0,0|2,0,0]=4 12778 B10R0.78 CCCCN(C)COC(C)C 269982a_100000207549_100000709892 [0,2,0,0,0,0|2,0,0]=4 12779 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [0,2,0,0,0,0|1,0,0]=3 12780 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,2,0,0,0,0|1,0,1]=4 12781 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,2,0,0,0,0|1,0,1]=4 12782 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,2,0,0,0,0|1,0,1]=4 12783 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,2,0,0,0,0|1,0,1]=4 12784 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,2,0,0,0,0|0,0,1]=3 12785 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,2,0,0,0,0|1,0,1]=4 12786 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,2,0,0,0,0|1,0,1]=4 12787 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,2,0,0,0,0|1,0,1]=4 12788 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,2,0,0,0,0|1,0,1]=4 12789 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,2,0,0,0,0|1,0,1]=4 12790 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [0,2,0,0,0,0|1,0,0]=3 12791 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [0,2,0,0,0,0|1,0,0]=3 12792 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,2,0,0,0,0|1,0,0]=3 12793 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,2,0,0,0,0|1,0,0]=3 12794 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,2,0,0,0,0|1,0,0]=3 12795 B10R0.78 CCCOC(C)CNC(C)C 2230a_100015185124_100000210206 [0,2,0,0,0,0|2,0,0]=4 12796 B10R0.78 CCCOC(C)CNC(C)C 34a_100015185124_100000210206 [0,2,0,0,0,0|2,0,0]=4 12797 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [0,2,0,0,0,0|1,0,0]=3 12798 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [0,2,0,0,0,0|1,0,0]=3 12799 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,2,0,0,0,0|1,0,1]=4 12800 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,2,0,0,0,0|0,0,1]=3 12801 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,2,0,0,0,0|1,0,1]=4 12802 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,2,0,0,0,0|1,0,1]=4 12803 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,2,0,0,0,0|1,0,1]=4 12804 B10R0.78 CCOCC(C)OCC(C)C 34a_100000718985_100000210624 [0,2,0,0,0,0|2,0,0]=4 12805 B10R0.78 CCOCC(C)OCC(C)C 7a_100000718985_100000210760 [0,2,0,0,0,0|2,0,0]=4 12806 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [0,2,0,0,0,0|1,0,0]=3 12807 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [0,2,0,0,0,0|1,0,0]=3 12808 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [0,2,0,0,0,0|1,0,0]=3 12809 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [0,2,0,0,0,0|1,0,0]=3 12810 B10R0.78 CCOCC(O)CNC(C)C 2230a_102515437182_100000210206 [0,2,0,0,0,0|2,0,0]=4 12811 B10R0.78 CCOCC(O)CNC(C)C 34a_102515437182_100000210206 [0,2,0,0,0,0|2,0,0]=4 12812 B10R0.78 CCOCN(C)CCC(C)C 269982a_100000742789_100000739092 [0,2,0,0,0,0|2,0,0]=4 12813 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,2,0,0,0,0|1,0,1]=4 12814 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,2,0,0,0,0|0,0,1]=3 12815 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,2,0,0,0,0|1,0,1]=4 12816 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,2,0,0,0,0|1,0,1]=4 12817 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,2,0,0,0,0|1,0,1]=4 12818 B10R0.78 CCSCC(C)NCC(C)C 270004a_100000210953_200011216171 [0,2,0,0,0,0|2,0,0]=4 12819 B10R0.78 CCSCC(C)NCC(C)O 270004a_100000210904_200011216171 [0,2,0,0,0,0|1,0,0]=3 12820 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,2,0,0,0,0|1,0,1]=4 12821 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,2,0,0,0,0|1,0,1]=4 12822 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,2,0,0,0,0|0,0,1]=3 12823 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,2,0,0,0,0|1,0,1]=4 12824 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,2,0,0,0,0|1,0,1]=4 12825 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,2,0,0,0,0|1,0,1]=4 12826 B10R0.78 COCCC(C)NCC(C)C 270004a_100000210953_100000742357 [0,2,0,0,0,0|2,0,0]=4 12827 B10R0.78 COCCC(C)NCC(C)O 270004a_100000210904_100000742357 [0,2,0,0,0,0|1,0,0]=3 12828 B10R0.78 COCCN(C)CCC(C)C 2230a_100000742789_100011201679 [0,2,0,0,0,0|2,0,0]=4 12829 B10R0.78 COCCN(C)CCC(C)C 2230a_100000743101_100000210312 [0,2,0,0,0,0|2,0,0]=4 12830 B10R0.78 COCCN(C)CCC(C)C 269982a_100000742789_100000233755 [0,2,0,0,0,0|2,0,0]=4 12831 B10R0.78 COCCN(C)CCC(C)C 269982a_100000743101_100000210312 [0,2,0,0,0,0|2,0,0]=4 12832 B10R0.78 COCCN(C)CCC(C)O 2230a_100000743101_100012276601 [0,2,0,0,0,0|1,0,0]=3 12833 B10R0.78 COCCN(C)CCC(C)O 269982a_100000743101_100012276601 [0,2,0,0,0,0|1,0,0]=3 12834 B10R0.78 COCNC(C)CCC(C)C 2230a_100138410893_100000766300 [0,2,0,0,0,0|2,0,0]=4 12835 B10R0.78 COCSC(C)CCC(C)C 62a_100000766300_100011261404 [0,2,0,0,0,0|2,0,0]=4 12836 B10R0.78 COCSC(C)CCC(C)C 62a_100011261404_100000766300 [0,2,0,0,0,0|2,0,0]=4 12837 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,2,0,0,0,0|1,0,1]=4 12838 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,2,0,0,0,0|1,0,1]=4 12839 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,2,0,0,0,0|0,0,1]=3 12840 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,2,0,0,0,0|1,0,1]=4 12841 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,2,0,0,0,0|1,0,1]=4 12842 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,2,0,0,0,0|1,0,1]=4 12843 B10R0.78 CSCCC(C)NCC(C)C 270004a_100000210953_100011217047 [0,2,0,0,0,0|2,0,0]=4 12844 B10R0.78 CSCCC(C)NCC(C)O 270004a_100000210904_100011217047 [0,2,0,0,0,0|1,0,0]=3 12845 B10R0.78 CSCCN(C)CCC(C)C 2230a_100000686725_100000210312 [0,2,0,0,0,0|2,0,0]=4 12846 B10R0.78 CSCCN(C)CCC(C)C 2230a_100000742789_100000751147 [0,2,0,0,0,0|2,0,0]=4 12847 B10R0.78 CSCCN(C)CCC(C)C 269982a_100000686725_100000210312 [0,2,0,0,0,0|2,0,0]=4 12848 B10R0.78 CSCCN(C)CCC(C)C 269982a_100000742789_100000212216 [0,2,0,0,0,0|2,0,0]=4 12849 B10R0.78 CSCCN(C)CCC(C)O 2230a_100000686725_100012276601 [0,2,0,0,0,0|1,0,0]=3 12850 B10R0.78 CSCCN(C)CCC(C)O 269982a_100000686725_100012276601 [0,2,0,0,0,0|1,0,0]=3 12851 B10R0.78 CSCC[C@H](N)COC(C)C 34a_100011827619_100000210206 [0,2,0,0,0,0|2,0,0]=4 12852 B10R0.78 CSCNC(C)CCC(C)C 2230a_100138410893_100011218213 [0,2,0,0,0,0|2,0,0]=4 12853 B10R0.78 CSCOC(C)CCC(C)C 34a_100011215350_100011218213 [0,2,0,0,0,0|2,0,0]=4 12854 B10R0.78 CSCSC(C)CCC(C)C 62a_100011218213_100011261404 [0,2,0,0,0,0|2,0,0]=4 12855 B10R0.78 CSCSC(C)CCC(C)C 62a_100011261404_100011218213 [0,2,0,0,0,0|2,0,0]=4 12856 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,2,0,0,0,0|0,0,2]=4 12857 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,2,0,0,0,0|0,0,1]=3 12858 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,2,0,0,0,0|1,0,1]=4 12859 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,2,0,0,0,0|1,0,1]=4 12860 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,2,0,0,0,0|1,0,1]=4 12861 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,2,0,0,0,0|1,0,1]=4 12862 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,2,0,0,0,0|0,0,1]=3 12863 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,2,0,0,0,0|1,0,1]=4 12864 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,2,0,0,0,0|1,0,1]=4 12865 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,2,0,0,0,0|1,0,1]=4 12866 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,2,0,0,0,0|0,0,1]=3 12867 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,2,0,0,0,0|0,0,1]=3 12868 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,2,0,0,0,0|1,0,1]=4 12869 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,2,0,0,0,0|1,0,1]=4 12870 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,2,0,0,0,0|1,0,1]=4 12871 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,2,0,0,0,0|1,0,1]=4 12872 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,2,0,0,0,0|1,0,1]=4 12873 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,2,0,0,0,0|0,0,1]=3 12874 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,2,0,0,0,0|1,0,1]=4 12875 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,2,0,0,0,0|1,0,1]=4 12876 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,2,0,0,0,0|0,0,1]=3 12877 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,2,0,0,0,0|0,0,1]=3 12878 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,2,0,0,0,0|0,0,2]=4 12879 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,2,0,0,0,0|0,0,2]=4 12880 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,2,0,0,0,0|0,0,2]=4 12881 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [0,2,0,0,0,0|0,0,2]=4 12882 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [0,2,0,0,0,0|0,0,2]=4 12883 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [0,2,0,0,0,0|0,0,2]=4 12884 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [0,2,0,0,0,0|0,0,2]=4 12885 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [0,2,0,0,0,0|0,0,2]=4 12886 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [0,2,0,0,0,0|0,0,2]=4 12887 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [0,2,0,0,0,0|0,0,2]=4 12888 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [0,2,0,0,0,0|0,0,2]=4 12889 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [0,2,0,0,0,0|0,0,2]=4 12890 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [0,2,0,0,0,0|0,0,2]=4 12891 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [0,2,0,0,0,0|0,0,2]=4 12892 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,2,0,0,0,0|2,0,0]=4 12893 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|1,0,0]=3 12894 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|1,0,0]=3 12895 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|0,0,2]=4 12896 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|0,0,2]=4 12897 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|0,0,2]=4 12898 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|0,0,2]=4 12899 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|0,0,2]=4 12900 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|0,0,1]=3 12901 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|0,0,2]=4 12902 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|0,0,2]=4 12903 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|0,0,2]=4 12904 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|0,0,2]=4 12905 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|0,0,2]=4 12906 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|0,0,1]=3 12907 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|0,0,1]=3 12908 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|0,0,2]=4 12909 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|0,0,2]=4 12910 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|0,0,1]=3 12911 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|0,0,1]=3 12912 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|0,0,2]=4 12913 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|0,0,2]=4 12914 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|0,0,1]=3 12915 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|0,0,1]=3 12916 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|0,0,1]=3 12917 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|0,0,1]=3 12918 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|0,0,2]=4 12919 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|0,0,2]=4 12920 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|0,0,2]=4 12921 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|0,0,1]=3 12922 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|0,0,1]=3 12923 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|0,0,2]=4 12924 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|0,0,2]=4 12925 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|0,0,1]=3 12926 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|0,0,1]=3 12927 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|0,0,2]=4 12928 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|0,0,1]=3 12929 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|1,0,1]=4 12930 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|1,0,1]=4 12931 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|1,0,1]=4 12932 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|1,0,1]=4 12933 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|1,0,1]=4 12934 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|1,0,1]=4 12935 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|1,0,1]=4 12936 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|1,0,1]=4 12937 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|1,0,1]=4 12938 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|1,0,1]=4 12939 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|1,0,1]=4 12940 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|1,0,1]=4 12941 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|1,0,1]=4 12942 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|1,0,1]=4 12943 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|1,0,1]=4 12944 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|1,0,1]=4 12945 B10R0.97 CC(Br)CCOCOC(C)C 34a_100009893172_100000709892 [0,2,0,0,0,0|2,0,0]=4 12946 B10R0.97 CC(Br)COCCOC(C)C 34a_100012180447_100000211751 [0,2,0,0,0,0|2,0,0]=4 12947 B10R0.97 CC(Br)COCCSC(C)C 34a_100012180447_100000730970 [0,2,0,0,0,0|2,0,0]=4 12948 B10R0.97 CC(C)CC=NNCC(C)O 4a_200000730056_100000185833 [0,2,0,0,0,0|1,0,1]=4 12949 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|1,0,0]=3 12950 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,2,0,0,0,0|1,0,0]=3 12951 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,2,0,0,0,0|1,0,0]=3 12952 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [0,2,0,0,0,0|1,0,0]=3 12953 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [0,2,0,0,0,0|1,0,0]=3 12954 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [0,2,0,0,0,0|1,0,0]=3 12955 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [0,2,0,0,0,0|1,0,0]=3 12956 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [0,2,0,0,0,0|1,0,0]=3 12957 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [0,2,0,0,0,0|1,0,0]=3 12958 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [0,2,0,0,0,0|1,0,0]=3 12959 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|1,0,1]=4 12960 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [0,2,0,0,0,0|1,0,0]=3 12961 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [0,2,0,0,0,0|1,0,0]=3 12962 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [0,2,0,0,0,0|1,0,0]=3 12963 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [0,2,0,0,0,0|1,0,0]=3 12964 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [0,2,0,0,0,0|1,0,0]=3 12965 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,2,0,0,0,0|0,0,0]=2 12966 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,2,0,0,0,0|0,0,0]=2 12967 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,2,0,0,0,0|0,0,0]=2 12968 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,2,0,0,0,0|0,0,0]=2 12969 B10R0.97 CC(C)CCCNCC(F)F 2230a_200000737386_100011934356 [0,2,0,0,0,0|2,0,0]=4 12970 B10R0.97 CC(C)CCCNCC(F)F 34a_100000765723_100011214892 [0,2,0,0,0,0|2,0,0]=4 12971 B10R0.97 CC(C)CCCNCC(F)F 34a_200000737386_100011934356 [0,2,0,0,0,0|2,0,0]=4 12972 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,2,0,0,0,0|0,0,0]=2 12973 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,2,0,0,0,0|0,0,0]=2 12974 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [0,2,0,0,0,0|1,0,0]=3 12975 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [0,2,0,0,0,0|1,0,0]=3 12976 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [0,2,0,0,0,0|1,0,0]=3 12977 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [0,2,0,0,0,0|1,0,0]=3 12978 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [0,2,0,0,0,0|1,0,0]=3 12979 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,2,0,0,0,0|0,0,0]=2 12980 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,2,0,0,0,0|0,0,0]=2 12981 B10R0.97 CC(C)CCCOCC(F)F 34a_100000210774_100011934356 [0,2,0,0,0,0|2,0,0]=4 12982 B10R0.97 CC(C)CCCOCC(F)F 34a_100000743014_100011214892 [0,2,0,0,0,0|2,0,0]=4 12983 B10R0.97 CC(C)CCCOCC(F)F 7a_100000210774_100011934356 [0,2,0,0,0,0|2,0,0]=4 12984 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [0,2,0,0,0,0|1,0,0]=3 12985 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [0,2,0,0,0,0|1,0,0]=3 12986 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,2,0,0,0,0|0,0,0]=2 12987 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,2,0,0,0,0|0,0,0]=2 12988 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [0,2,0,0,0,0|1,0,0]=3 12989 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [0,2,0,0,0,0|1,0,0]=3 12990 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,2,0,0,0,0|0,0,0]=2 12991 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,2,0,0,0,0|0,0,0]=2 12992 B10R0.97 CC(C)CCCSCC(F)F 62a_100011214892_100011934356 [0,2,0,0,0,0|2,0,0]=4 12993 B10R0.97 CC(C)CCCSCC(F)F 62a_100011934356_100011214892 [0,2,0,0,0,0|2,0,0]=4 12994 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,2,0,0,0,0|0,0,0]=2 12995 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,2,0,0,0,0|0,0,0]=2 12996 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [0,2,0,0,0,0|1,0,0]=3 12997 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,2,0,0,0,0|0,0,0]=2 12998 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,2,0,0,0,0|0,0,0]=2 12999 B10R0.97 CC(C)CCNCCN(C)C 269862a_100000210585_100000185833 [0,2,0,0,0,0|2,0,0]=4 13000 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [0,2,0,0,0,0|1,0,0]=3 13001 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [0,2,0,0,0,0|1,0,0]=3 13002 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [0,2,0,0,0,0|1,0,0]=3 13003 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,2,0,0,0,0|0,0,0]=2 13004 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,2,0,0,0,0|0,0,0]=2 13005 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [0,2,0,0,0,0|2,0,0]=4 13006 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [0,2,0,0,0,0|2,0,0]=4 13007 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [0,2,0,0,0,0|1,0,0]=3 13008 B10R0.97 CC(C)CCOCOC(C)C 34a_100000210254_100000709892 [0,2,0,0,0,0|2,0,0]=4 13009 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [0,2,0,0,0,0|1,0,0]=3 13010 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,2,0,0,0,0|0,0,0]=2 13011 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,2,0,0,0,0|0,0,0]=2 13012 B10R0.97 CC(C)CCSCCN(C)C 62a_100000210312_100000755713 [0,2,0,0,0,0|2,0,0]=4 13013 B10R0.97 CC(C)CCSCOC(C)C 62a_100000210312_100000709892 [0,2,0,0,0,0|2,0,0]=4 13014 B10R0.97 CC(C)CCSCOC(C)C 62a_100000709892_100000210312 [0,2,0,0,0,0|2,0,0]=4 13015 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,2,0,0,0,0|0,0,0]=2 13016 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,2,0,0,0,0|0,0,0]=2 13017 B10R0.97 CC(C)CNCCCN(C)C 270004a_102531767803_100000210432 [0,2,0,0,0,0|2,0,0]=4 13018 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,2,0,0,0,0|1,0,1]=4 13019 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,2,0,0,0,0|1,0,1]=4 13020 B10R0.97 CC(C)CNCCOC(C)C 2230a_100000210953_100000211751 [0,2,0,0,0,0|2,0,0]=4 13021 B10R0.97 CC(C)CNCCOC(C)C 2230a_100000701111_100000210760 [0,2,0,0,0,0|2,0,0]=4 13022 B10R0.97 CC(C)CNCCOC(C)C 270004a_100000701111_100000210432 [0,2,0,0,0,0|2,0,0]=4 13023 B10R0.97 CC(C)CNCCOC(C)C 34a_100000210953_100000211751 [0,2,0,0,0,0|2,0,0]=4 13024 B10R0.97 CC(C)CNCCOC(C)C 34a_100000701111_100000210624 [0,2,0,0,0,0|2,0,0]=4 13025 B10R0.97 CC(C)CNCCOC(C)C 34a_100015185251_100000210206 [0,2,0,0,0,0|2,0,0]=4 13026 B10R0.97 CC(C)CNCCSC(C)C 2230a_100000210953_100000730970 [0,2,0,0,0,0|2,0,0]=4 13027 B10R0.97 CC(C)CNCCSC(C)C 2230a_100000731138_100000210760 [0,2,0,0,0,0|2,0,0]=4 13028 B10R0.97 CC(C)CNCCSC(C)C 270004a_100000731138_100000210432 [0,2,0,0,0,0|2,0,0]=4 13029 B10R0.97 CC(C)CNCCSC(C)C 34a_100000210953_100000730970 [0,2,0,0,0,0|2,0,0]=4 13030 B10R0.97 CC(C)CNCCSC(C)C 34a_100000731138_100000210624 [0,2,0,0,0,0|2,0,0]=4 13031 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,2,0,0,0,0|0,0,0]=2 13032 B10R0.97 CC(C)COCCNC(C)C 34a_100000224655_100000210624 [0,2,0,0,0,0|2,0,0]=4 13033 B10R0.97 CC(C)COCCOC(C)C 34a_100000210257_100000211751 [0,2,0,0,0,0|2,0,0]=4 13034 B10R0.97 CC(C)COCCOC(C)C 34a_100000211219_100000210624 [0,2,0,0,0,0|2,0,0]=4 13035 B10R0.97 CC(C)COCCOC(C)C 34a_100000703358_100000210206 [0,2,0,0,0,0|2,0,0]=4 13036 B10R0.97 CC(C)COCCOC(C)C 7a_100000211219_100000210760 [0,2,0,0,0,0|2,0,0]=4 13037 B10R0.97 CC(C)COCCOC(C)C 7a_100000703358_100000210206 [0,2,0,0,0,0|2,0,0]=4 13038 B10R0.97 CC(C)COCCSC(C)C 34a_100000210257_100000730970 [0,2,0,0,0,0|2,0,0]=4 13039 B10R0.97 CC(C)COCCSC(C)C 34a_200011212901_100000210624 [0,2,0,0,0,0|2,0,0]=4 13040 B10R0.97 CC(C)COCCSC(C)C 7a_200011212901_100000210760 [0,2,0,0,0,0|2,0,0]=4 13041 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,2,0,0,0,0|0,0,0]=2 13042 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,2,0,0,0,0|0,0,0]=2 13043 B10R0.97 CC(C)CSCCCN(C)C 62a_100000210624_100000757444 [0,2,0,0,0,0|2,0,0]=4 13044 B10R0.97 CC(C)CSCCOC(C)C 34a_200000230437_100000210206 [0,2,0,0,0,0|2,0,0]=4 13045 B10R0.97 CC(C)CSCCOC(C)C 62a_100000210624_100000211751 [0,2,0,0,0,0|2,0,0]=4 13046 B10R0.97 CC(C)CSCCOC(C)C 62a_100000211751_100000210760 [0,2,0,0,0,0|2,0,0]=4 13047 B10R0.97 CC(C)CSCCOC(C)C 7a_200000230437_100000210206 [0,2,0,0,0,0|2,0,0]=4 13048 B10R0.97 CC(C)CSCCSC(C)C 62a_100000210624_100000730970 [0,2,0,0,0,0|2,0,0]=4 13049 B10R0.97 CC(C)CSCCSC(C)C 62a_100000730970_100000210760 [0,2,0,0,0,0|2,0,0]=4 13050 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [0,2,0,0,0,0|2,0,0]=4 13051 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [0,2,0,0,0,0|2,0,0]=4 13052 B10R0.97 CC(C)NCCCOC(C)C 2230a_100000737246_100000210206 [0,2,0,0,0,0|2,0,0]=4 13053 B10R0.97 CC(C)NCCCOC(C)C 34a_100000182298_100000210206 [0,2,0,0,0,0|2,0,0]=4 13054 B10R0.97 CC(C)NCCCOC(C)C 34a_100000737246_100000210206 [0,2,0,0,0,0|2,0,0]=4 13055 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [0,2,0,0,0,0|1,0,0]=3 13056 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [0,2,0,0,0,0|2,0,0]=4 13057 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [0,2,0,0,0,0|1,0,0]=3 13058 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [0,2,0,0,0,0|1,0,0]=3 13059 B10R0.97 CC(C)OCCOC[C@@H](C)Cl 34a_100016084084_100000211751 [0,2,0,0,0,0|2,0,0]=4 13060 B10R0.97 CC(C)OCCOC[C@@H](C)N 34a_100000737577_100000211751 [0,2,0,0,0,0|2,0,0]=4 13061 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,2,0,0,0,0|1,0,0]=3 13062 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,2,0,0,0,0|1,0,0]=3 13063 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [0,2,0,0,0,0|1,0,0]=3 13064 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [0,2,0,0,0,0|1,0,0]=3 13065 B10R0.97 CC(C)OCOCC[C@@H](C)N 34a_100000706166_100000709892 [0,2,0,0,0,0|2,0,0]=4 13066 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [0,2,0,0,0,0|2,0,0]=4 13067 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [0,2,0,0,0,0|2,0,0]=4 13068 B10R0.97 CC(C)SCCCCN(C)C 62a_100000210206_100000690147 [0,2,0,0,0,0|2,0,0]=4 13069 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [0,2,0,0,0,0|1,0,0]=3 13070 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [0,2,0,0,0,0|1,0,0]=3 13071 B10R0.97 CC(C)SCCOC[C@@H](C)Cl 34a_100016084084_100000730970 [0,2,0,0,0,0|2,0,0]=4 13072 B10R0.97 CC(C)SCCOC[C@@H](C)N 34a_100000737577_100000730970 [0,2,0,0,0,0|2,0,0]=4 13073 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [0,2,0,0,0,0|1,0,0]=3 13074 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [0,2,0,0,0,0|1,0,0]=3 13075 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [0,2,0,0,0,0|1,0,0]=3 13076 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [0,2,0,0,0,0|1,0,0]=3 13077 B10R0.97 CC(F)COCCOC(C)C 34a_100015925927_100000211751 [0,2,0,0,0,0|2,0,0]=4 13078 B10R0.97 CC(F)COCCSC(C)C 34a_100015925927_100000730970 [0,2,0,0,0,0|2,0,0]=4 13079 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,2,0,0,0,0|1,0,1]=4 13080 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|1,0,1]=4 13081 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,2,0,0,0,0|0,0,0]=2 13082 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,2,0,0,0,0|0,0,0]=2 13083 B10R0.97 CC(O)CCCNCC(F)F 34a_100000765723_200000718107 [0,2,0,0,0,0|1,0,0]=3 13084 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [0,2,0,0,0,0|0,0,0]=2 13085 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [0,2,0,0,0,0|0,0,0]=2 13086 B10R0.97 CC(O)CCCOCC(F)F 34a_100000743014_200000718107 [0,2,0,0,0,0|1,0,0]=3 13087 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [0,2,0,0,0,0|0,0,0]=2 13088 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,2,0,0,0,0|0,0,0]=2 13089 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,2,0,0,0,0|1,0,1]=4 13090 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,2,0,0,0,0|1,0,1]=4 13091 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,2,0,0,0,0|1,0,1]=4 13092 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,2,0,0,0,0|1,0,1]=4 13093 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,2,0,0,0,0|0,0,0]=2 13094 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,2,0,0,0,0|0,0,0]=2 13095 B10R0.97 CC(O)CCCSCC(F)F 62a_100011934356_200000718107 [0,2,0,0,0,0|1,0,0]=3 13096 B10R0.97 CC(O)CCCSCC(F)F 62a_200000718107_100011934356 [0,2,0,0,0,0|1,0,0]=3 13097 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,2,0,0,0,0|0,0,0]=2 13098 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,2,0,0,0,0|0,0,0]=2 13099 B10R0.97 CC(O)CCCSC[N+](=O)[O-] 62a_200000718107_100000761209 [0,2,0,0,0,0|2,0,0]=4 13100 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,2,0,0,0,0|1,0,1]=4 13101 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [0,2,0,0,0,0|0,0,0]=2 13102 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [0,2,0,0,0,0|1,0,0]=3 13103 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,2,0,0,0,0|1,0,1]=4 13104 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,2,0,0,0,0|1,0,1]=4 13105 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,2,0,0,0,0|0,0,0]=2 13106 B10R0.97 CC(O)CCOCCC(F)F 34a_100103093639_100012276601 [0,2,0,0,0,0|1,0,0]=3 13107 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,2,0,0,0,0|0,0,0]=2 13108 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,2,0,0,0,0|1,0,1]=4 13109 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,2,0,0,0,0|1,0,1]=4 13110 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,2,0,0,0,0|0,0,0]=2 13111 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [0,2,0,0,0,0|1,0,0]=3 13112 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [0,2,0,0,0,0|1,0,0]=3 13113 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [0,2,0,0,0,0|1,0,0]=3 13114 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|1,0,1]=4 13115 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,2,0,0,0,0|1,0,1]=4 13116 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,2,0,0,0,0|1,0,0]=3 13117 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [0,2,0,0,0,0|1,0,0]=3 13118 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [0,2,0,0,0,0|1,0,0]=3 13119 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [0,2,0,0,0,0|1,0,0]=3 13120 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [0,2,0,0,0,0|1,0,0]=3 13121 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [0,2,0,0,0,0|1,0,0]=3 13122 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [0,2,0,0,0,0|1,0,0]=3 13123 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [0,2,0,0,0,0|1,0,0]=3 13124 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [0,2,0,0,0,0|1,0,0]=3 13125 B10R0.97 CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218427 [0,2,0,0,0,0|2,0,0]=4 13126 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [0,2,0,0,0,0|1,0,0]=3 13127 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,2,0,0,0,0|1,0,0]=3 13128 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,2,0,0,0,0|1,0,0]=3 13129 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [0,2,0,0,0,0|1,0,0]=3 13130 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [0,2,0,0,0,0|1,0,0]=3 13131 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,2,0,0,0,0|1,0,1]=4 13132 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,2,0,0,0,0|1,0,1]=4 13133 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [0,2,0,0,0,0|1,0,0]=3 13134 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [0,2,0,0,0,0|1,0,0]=3 13135 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [0,2,0,0,0,0|1,0,0]=3 13136 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [0,2,0,0,0,0|1,0,0]=3 13137 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [0,2,0,0,0,0|1,0,0]=3 13138 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,2,0,0,0,0|2,0,0]=4 13139 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,2,0,0,0,0|2,0,0]=4 13140 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,2,0,0,0,0|1,0,1]=4 13141 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,2,0,0,0,0|1,0,0]=3 13142 B10R0.97 C[C@@H](O)COCCC[N+](=O)[O-] 34a_200000037920_100009817552 [0,2,0,0,0,0|2,0,0]=4 13143 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,2,0,0,0,0|1,0,1]=4 13144 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,2,0,0,0,0|1,0,1]=4 13145 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [0,2,0,0,0,0|1,0,0]=3 13146 B10R0.18 C#CC(C)NC(C)CCCC 2230a_100000707721_200011215066 [0,2,0,0,0,0|2,0,0]=4 13147 B10R0.18 C#CC(C)NC(C)CCCC 270004a_100000707721_100000210087 [0,2,0,0,0,0|2,0,0]=4 13148 B10R0.18 C#CC(C)NC(C)CCCC 34a_100000707721_200011215066 [0,2,0,0,0,0|2,0,0]=4 13149 B10R0.18 C#CC(C)OC(C)CCCC 34a_100000687866_200000035995 [0,2,0,0,0,0|2,0,0]=4 13150 B10R0.18 C#CC(C)SC(C)CCCC 62a_200000035995_200011215066 [0,2,0,0,0,0|2,0,0]=4 13151 B10R0.18 C#C[C@@H](C)OC(C)CCCC 34a_100009815206_200011215066 [0,2,0,0,0,0|2,0,0]=4 13152 B10R0.18 C#C[C@@H](C)OC(C)CCCC 7a_100009815206_200011215066 [0,2,0,0,0,0|2,0,0]=4 13153 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,2,0,0,0,0|1,0,1]=4 13154 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [0,2,0,0,0,0|2,0,0]=4 13155 B10R0.18 C=CC(C)SC(C)CCCC 62a_100011215867_200011215066 [0,2,0,0,0,0|2,0,0]=4 13156 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [0,2,0,0,0,0|1,0,1]=4 13157 B10R0.18 CC(CO)OC(C)CCCCl 34a_200000718107_100012180447 [0,2,0,0,0,0|2,0,0]=4 13158 B10R0.18 CC(CO)OC(C)CCCCl 7a_200000718107_100012180447 [0,2,0,0,0,0|2,0,0]=4 13159 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,2,0,0,0,0|1,0,1]=4 13160 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,2,0,0,0,0|1,0,1]=4 13161 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,2,0,0,0,0|1,0,1]=4 13162 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,2,0,0,0,0|1,0,1]=4 13163 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,2,0,0,0,0|1,0,1]=4 13164 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,2,0,0,0,0|1,0,1]=4 13165 B10R0.18 CCC(O)CN(C)CCCO 2230a_100000213112_100011218378 [0,2,0,0,0,0|2,0,0]=4 13166 B10R0.18 CCC(O)CN(C)CCCO 269982a_100000213112_100011218378 [0,2,0,0,0,0|2,0,0]=4 13167 B10R0.18 CCC(O)CN(C)CCOC 2230a_100000743101_100011218378 [0,2,0,0,0,0|2,0,0]=4 13168 B10R0.18 CCC(O)CN(C)CCOC 269982a_100000743101_100011218378 [0,2,0,0,0,0|2,0,0]=4 13169 B10R0.18 CCC(O)CN(C)CCSC 2230a_100000686725_100011218378 [0,2,0,0,0,0|2,0,0]=4 13170 B10R0.18 CCC(O)CN(C)CCSC 269982a_100000686725_100011218378 [0,2,0,0,0,0|2,0,0]=4 13171 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,2,0,0,0,0|1,0,1]=4 13172 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,2,0,0,0,0|1,0,1]=4 13173 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,2,0,0,0,0|0,0,1]=3 13174 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,2,0,0,0,0|0,0,1]=3 13175 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,2,0,0,0,0|1,0,1]=4 13176 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,2,0,0,0,0|0,0,1]=3 13177 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,2,0,0,0,0|1,0,1]=4 13178 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,2,0,0,0,0|1,0,1]=4 13179 B10R0.18 CCCCC(C)NC(C)C#N 2230a_100000126638_100000184139 [0,2,0,0,0,0|2,0,0]=4 13180 B10R0.18 CCCCC(C)NC(C)C#N 2230a_100000737613_200011215066 [0,2,0,0,0,0|2,0,0]=4 13181 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,2,0,0,0,0|2,0,0]=4 13182 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,2,0,0,0,0|2,0,0]=4 13183 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,2,0,0,0,0|2,0,0]=4 13184 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,2,0,0,0,0|1,0,0]=3 13185 B10R0.18 CCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210087 [0,2,0,0,0,0|2,0,0]=4 13186 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,2,0,0,0,0|1,0,0]=3 13187 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,2,0,0,0,0|1,0,0]=3 13188 B10R0.18 CCCCC(C)OC(C)C#N 34a_100011218135_200011215066 [0,2,0,0,0,0|2,0,0]=4 13189 B10R0.18 CCCCC(C)OC(C)C#N 7a_100000687866_100000703298 [0,2,0,0,0,0|2,0,0]=4 13190 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,2,0,0,0,0|2,0,0]=4 13191 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,2,0,0,0,0|2,0,0]=4 13192 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,2,0,0,0,0|2,0,0]=4 13193 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [0,2,0,0,0,0|2,0,0]=4 13194 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [0,2,0,0,0,0|2,0,0]=4 13195 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [0,2,0,0,0,0|2,0,0]=4 13196 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,2,0,0,0,0|1,0,0]=3 13197 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,2,0,0,0,0|1,0,0]=3 13198 B10R0.18 CCCCC(C)SC(C)C#N 62a_100000703298_200011215066 [0,2,0,0,0,0|2,0,0]=4 13199 B10R0.18 CCCCC(C)SC(C)C#N 62a_200011215066_100000703298 [0,2,0,0,0,0|2,0,0]=4 13200 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,2,0,0,0,0|2,0,0]=4 13201 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,2,0,0,0,0|2,0,0]=4 13202 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,2,0,0,0,0|1,0,0]=3 13203 B10R0.18 CCCCC(C)SC(C)OC 62a_100009879195_200011215066 [0,2,0,0,0,0|1,0,0]=3 13204 B10R0.18 CCCCC(C)SC(C)OC 62a_200011215066_100009879195 [0,2,0,0,0,0|1,0,0]=3 13205 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,2,0,0,0,0|1,0,0]=3 13206 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,2,0,0,0,0|1,0,0]=3 13207 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,2,0,0,0,0|2,0,0]=4 13208 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,2,0,0,0,0|2,0,0]=4 13209 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,2,0,0,0,0|2,0,0]=4 13210 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,2,0,0,0,0|2,0,0]=4 13211 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,2,0,0,0,0|2,0,0]=4 13212 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,2,0,0,0,0|1,0,0]=3 13213 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,2,0,0,0,0|1,0,0]=3 13214 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [0,2,0,0,0,0|1,0,0]=3 13215 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [0,2,0,0,0,0|1,0,0]=3 13216 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [0,2,0,0,0,0|1,0,0]=3 13217 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,2,0,0,0,0|2,0,0]=4 13218 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,2,0,0,0,0|2,0,0]=4 13219 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [0,2,0,0,0,0|1,0,0]=3 13220 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [0,2,0,0,0,0|1,0,0]=3 13221 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [0,2,0,0,0,0|1,0,0]=3 13222 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [0,2,0,0,0,0|1,0,0]=3 13223 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,2,0,0,0,0|1,0,1]=4 13224 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,2,0,0,0,0|1,0,1]=4 13225 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,2,0,0,0,0|2,0,0]=4 13226 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,2,0,0,0,0|2,0,0]=4 13227 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|1,0,1]=4 13228 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|1,0,1]=4 13229 B10R0.18 CCOCC(C)OC(C)CO 34a_100000718985_100012180447 [0,2,0,0,0,0|2,0,0]=4 13230 B10R0.18 CCOCC(C)OC(C)CO 7a_100000718985_100012180447 [0,2,0,0,0,0|2,0,0]=4 13231 B10R0.18 CCOCN(C)CC(O)CO 269982a_100011216503_100000739092 [0,2,0,0,0,0|2,0,0]=4 13232 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,2,0,0,0,0|1,0,1]=4 13233 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,2,0,0,0,0|1,0,1]=4 13234 B10R0.18 CCSCC(C)N[C@H](C)CO 270004a_100000737577_200011216171 [0,2,0,0,0,0|2,0,0]=4 13235 B10R0.18 CN(CCCF)CC(O)CO 2230a_100011216503_100011934791 [0,2,0,0,0,0|2,0,0]=4 13236 B10R0.18 CN(CCCF)CC(O)CO 269982a_100011216503_100011934791 [0,2,0,0,0,0|2,0,0]=4 13237 B10R0.18 CN(CCCO)CC(O)CO 2230a_100000213112_100011219619 [0,2,0,0,0,0|2,0,0]=4 13238 B10R0.18 CN(CCCO)CC(O)CO 2230a_100011216503_100000230001 [0,2,0,0,0,0|2,0,0]=4 13239 B10R0.18 CN(CCCO)CC(O)CO 269982a_100011216503_100011215043 [0,2,0,0,0,0|2,0,0]=4 13240 B10R0.18 CN(CCCO)C[C@@H](O)CF 2230a_100000213112_100015614560 [0,2,0,0,0,0|2,0,0]=4 13241 B10R0.18 CN(CCCO)C[C@@H](O)CO 2230a_100000213112_100009815848 [0,2,0,0,0,0|2,0,0]=4 13242 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,2,0,0,0,0|1,0,1]=4 13243 B10R0.18 COCCC(C)N[C@H](C)CO 270004a_100000737577_100000742357 [0,2,0,0,0,0|2,0,0]=4 13244 B10R0.18 COCCN(C)CC(O)CO 2230a_100000743101_100011219619 [0,2,0,0,0,0|2,0,0]=4 13245 B10R0.18 COCCN(C)CC(O)CO 2230a_100011216503_100011201679 [0,2,0,0,0,0|2,0,0]=4 13246 B10R0.18 COCCN(C)CC(O)CO 269982a_100011216503_100000233755 [0,2,0,0,0,0|2,0,0]=4 13247 B10R0.18 COCCN(C)C[C@@H](C)CO 2230a_100000743101_100000059175 [0,2,0,0,0,0|2,0,0]=4 13248 B10R0.18 COCCN(C)C[C@@H](C)CO 269982a_100000743101_100000059175 [0,2,0,0,0,0|2,0,0]=4 13249 B10R0.18 COCCN(C)C[C@@H](O)CF 2230a_100000743101_100015614560 [0,2,0,0,0,0|2,0,0]=4 13250 B10R0.18 COCCN(C)C[C@@H](O)CO 2230a_100000743101_100009815848 [0,2,0,0,0,0|2,0,0]=4 13251 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,2,0,0,0,0|1,0,1]=4 13252 B10R0.18 CSCCC(C)N[C@H](C)CO 270004a_100000737577_100011217047 [0,2,0,0,0,0|2,0,0]=4 13253 B10R0.18 CSCCN(C)CC(O)CO 2230a_100000686725_100011219619 [0,2,0,0,0,0|2,0,0]=4 13254 B10R0.18 CSCCN(C)CC(O)CO 2230a_100011216503_100000751147 [0,2,0,0,0,0|2,0,0]=4 13255 B10R0.18 CSCCN(C)CC(O)CO 269982a_100011216503_100000212216 [0,2,0,0,0,0|2,0,0]=4 13256 B10R0.18 CSCCN(C)C[C@@H](C)CO 2230a_100000686725_100000059175 [0,2,0,0,0,0|2,0,0]=4 13257 B10R0.18 CSCCN(C)C[C@@H](C)CO 269982a_100000686725_100000059175 [0,2,0,0,0,0|2,0,0]=4 13258 B10R0.18 CSCCN(C)C[C@@H](O)CF 2230a_100000686725_100015614560 [0,2,0,0,0,0|2,0,0]=4 13259 B10R0.18 CSCCN(C)C[C@@H](O)CO 2230a_100000686725_100009815848 [0,2,0,0,0,0|2,0,0]=4 13260 B10R0.18 C[C@@H](CO)CN(C)CCCO 2230a_100000213112_100000059175 [0,2,0,0,0,0|2,0,0]=4 13261 B10R0.18 C[C@@H](CO)CN(C)CCCO 269982a_100000213112_100000059175 [0,2,0,0,0,0|2,0,0]=4 13262 B10R0.28 CC(C)(O)CC(=O)CCCF 1458a_100000693243_100011934791 [0,2,0,0,0,0|1,0,1]=4 13263 B10R0.28 CC(C)(O)CC(=O)CCCO 1458a_100000693243_100011215043 [0,2,0,0,0,0|1,0,1]=4 13264 B10R0.28 CC(CCO[13CH3])CC(C)(C)C 7a_200011215431_200025704644 [0,2,0,0,0,0|2,0,0]=4 13265 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,2,0,0,0,0|1,0,1]=4 13266 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,2,0,0,0,0|0,0,1]=3 13267 B10R0.28 CCCCC(C)NC(C)(C)C 2230a_100000715429_200011215066 [0,2,0,0,0,0|2,0,0]=4 13268 B10R0.28 CCCCC(C)OC(C)(C)C 34a_100000687866_100000210625 [0,2,0,0,0,0|2,0,0]=4 13269 B10R0.28 CCCCC(C)OC(C)(C)C 34a_100015890283_200011215066 [0,2,0,0,0,0|2,0,0]=4 13270 B10R0.28 CCCCC(C)OC(C)(C)C 7a_100015890283_200011215066 [0,2,0,0,0,0|2,0,0]=4 13271 B10R0.28 CCCCC(C)SC(C)(C)C 62a_100000211941_200011215066 [0,2,0,0,0,0|2,0,0]=4 13272 B10R0.28 CCCCC(C)SC(C)(C)C 62a_200011215066_100000211941 [0,2,0,0,0,0|2,0,0]=4 13273 B10R0.28 CCCCN(C)CC(C)(C)C 2230a_100000742839_100000210211 [0,2,0,0,0,0|2,0,0]=4 13274 B10R0.28 CCCCN(C)CC(C)(C)C 269982a_100000742839_100000210211 [0,2,0,0,0,0|2,0,0]=4 13275 B10R0.28 CCCCN(C)CC(C)(C)C 270004a_100000207549_100011204126 [0,2,0,0,0,0|2,0,0]=4 13276 B10R0.28 CCCCN(C)CC(C)(C)O 2230a_100000755907_100000210211 [0,2,0,0,0,0|1,0,0]=3 13277 B10R0.28 CCCCN(C)CC(C)(C)O 269982a_100000755907_100000210211 [0,2,0,0,0,0|1,0,0]=3 13278 B10R0.28 CCCNC(=O)CC(C)(C)O 527a_100020643023_100000693243 [0,2,0,0,0,0|1,0,1]=4 13279 B10R0.28 CCCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210303 [0,2,0,0,0,0|2,0,0]=4 13280 B10R0.28 CCCOC(C)CC(C)(C)C 7a_200011218616_100000210303 [0,2,0,0,0,0|2,0,0]=4 13281 B10R0.28 CCOCC(C)CC(C)(C)C 7a_200011215325_100000210202 [0,2,0,0,0,0|2,0,0]=4 13282 B10R0.28 CCOCN(C)CC(C)(C)O 269982a_100000755907_100000739092 [0,2,0,0,0,0|2,0,0]=4 13283 B10R0.28 CN(CCCF)CC(C)(C)O 2230a_100000755907_100011934791 [0,2,0,0,0,0|2,0,0]=4 13284 B10R0.28 CN(CCCF)CC(C)(C)O 269982a_100000755907_100011934791 [0,2,0,0,0,0|2,0,0]=4 13285 B10R0.28 CN(CCCO)CC(C)(C)O 2230a_100000755907_100000230001 [0,2,0,0,0,0|2,0,0]=4 13286 B10R0.28 CN(CCCO)CC(C)(C)O 269982a_100000755907_100011215043 [0,2,0,0,0,0|2,0,0]=4 13287 B10R0.28 COCCC(=O)CC(C)(C)O 1458a_100000693243_100000233755 [0,2,0,0,0,0|1,0,1]=4 13288 B10R0.28 COCCC(C)CC(C)(C)C 7a_200011215431_200000210301 [0,2,0,0,0,0|2,0,0]=4 13289 B10R0.28 COCCN(C)CC(C)(C)O 2230a_100000755907_100011201679 [0,2,0,0,0,0|2,0,0]=4 13290 B10R0.28 COCCN(C)CC(C)(C)O 269982a_100000755907_100000233755 [0,2,0,0,0,0|2,0,0]=4 13291 B10R0.28 CSCCC(=O)CC(C)(C)O 1458a_100000693243_100000751147 [0,2,0,0,0,0|1,0,1]=4 13292 B10R0.28 CSCCN(C)CC(C)(C)O 2230a_100000755907_100000751147 [0,2,0,0,0,0|2,0,0]=4 13293 B10R0.28 CSCCN(C)CC(C)(C)O 269982a_100000755907_100000212216 [0,2,0,0,0,0|2,0,0]=4 13294 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,2,0,0,0,0|1,0,1]=4 13295 B10R0.32 CC(CCO)N(C)C[C@@H](C)O 2230a_100000731037_100009817552 [0,2,0,0,0,0|2,0,0]=4 13296 B10R0.32 CC(CCO)N(C)C[C@@H](C)O 269982a_100000731037_100009817552 [0,2,0,0,0,0|2,0,0]=4 13297 B10R0.32 CC(O)CN(C)C(C)CCO 2230a_100000227577_100009893172 [0,2,0,0,0,0|2,0,0]=4 13298 B10R0.32 CC(O)CN(C)C(C)CCO 2230a_100000731037_100011218427 [0,2,0,0,0,0|2,0,0]=4 13299 B10R0.32 CC(O)CN(C)C(C)CCO 269982a_100000227577_100009893172 [0,2,0,0,0,0|2,0,0]=4 13300 B10R0.32 CC(O)CN(C)C(C)CCO 269982a_100000731037_100011218427 [0,2,0,0,0,0|2,0,0]=4 13301 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,2,0,0,0,0|1,0,1]=4 13302 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,2,0,0,0,0|1,0,1]=4 13303 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,2,0,0,0,0|1,0,1]=4 13304 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,2,0,0,0,0|1,0,1]=4 13305 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,2,0,0,0,0|1,0,1]=4 13306 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,2,0,0,0,0|1,0,1]=4 13307 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,2,0,0,0,0|0,0,1]=3 13308 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,2,0,0,0,0|0,0,1]=3 13309 B10R0.32 CCCC(C)C(C)OC(C)C 34a_100000708338_100000210206 [0,2,0,0,0,0|2,0,0]=4 13310 B10R0.32 CCCC(C)C(C)OC(C)C 7a_100000708338_100000210206 [0,2,0,0,0,0|2,0,0]=4 13311 B10R0.32 CCCC(C)N(C)CC(C)C 2230a_100000747067_100000766640 [0,2,0,0,0,0|2,0,0]=4 13312 B10R0.32 CCCC(C)N(C)CC(C)C 269982a_100000747067_100000766640 [0,2,0,0,0,0|2,0,0]=4 13313 B10R0.32 CCCC(C)N(C)CC(C)C 270004a_100000747067_100000211909 [0,2,0,0,0,0|2,0,0]=4 13314 B10R0.32 CCCC(C)N(C)CC(C)O 2230a_100000227577_100000766640 [0,2,0,0,0,0|1,0,0]=3 13315 B10R0.32 CCCC(C)N(C)CC(C)O 269982a_100000227577_100000766640 [0,2,0,0,0,0|1,0,0]=3 13316 B10R0.32 CCCC(C)N(C)CC(C)O 270004a_100000227577_100000211909 [0,2,0,0,0,0|1,0,0]=3 13317 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,2,0,0,0,0|1,0,1]=4 13318 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000745462_100000210303 [0,2,0,0,0,0|2,0,0]=4 13319 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000747261_100000731052 [0,2,0,0,0,0|2,0,0]=4 13320 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000745462_100000210303 [0,2,0,0,0,0|2,0,0]=4 13321 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000747261_100000731052 [0,2,0,0,0,0|2,0,0]=4 13322 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,2,0,0,0,0|1,0,1]=4 13323 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,2,0,0,0,0|0,0,1]=3 13324 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,2,0,0,0,0|1,0,1]=4 13325 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,2,0,0,0,0|1,0,1]=4 13326 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,2,0,0,0,0|1,0,1]=4 13327 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,2,0,0,0,0|1,0,1]=4 13328 B10R0.32 COCC(C)N(C)CC(C)O 2230a_100000227577_100000765312 [0,2,0,0,0,0|2,0,0]=4 13329 B10R0.32 COCC(C)N(C)CC(C)O 269982a_100000227577_100000765312 [0,2,0,0,0,0|2,0,0]=4 13330 B10R0.32 COCC(C)N(C)CC(C)O 270004a_100000227577_100000749346 [0,2,0,0,0,0|2,0,0]=4 13331 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,2,0,0,0,0|1,0,1]=4 13332 B10R0.32 CSCC(C)N(C)CC(C)O 270004a_100000227577_100011216314 [0,2,0,0,0,0|2,0,0]=4 13333 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,2,0,0,0,0|1,0,1]=4 13334 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,2,0,0,0,0|1,0,1]=4 13335 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,2,0,0,0,0|1,0,1]=4 13336 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,2,0,0,0,0|1,0,1]=4 13337 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,2,0,0,0,0|1,0,1]=4 13338 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,2,0,0,0,0|1,0,1]=4 13339 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|0,0,1]=3 13340 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|0,0,1]=3 13341 B10R0.81 CCCCC(C)N(C)C(C)C 269982a_200000211004_200011215066 [0,2,0,0,0,0|2,0,0]=4 13342 B10R0.81 CCCCC(C)N(C)C(C)C 270004a_200000211004_100000210087 [0,2,0,0,0,0|2,0,0]=4 13343 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,2,0,0,0,0|1,0,1]=4 13344 B10R0.81 CCCCN(C)C(=O)[C@@H](C)O 240690a_100000207549_100000717761 [0,2,0,0,0,0|1,0,1]=4 13345 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 1626a_100000207549_217856618621 [0,2,0,0,0,0|1,0,1]=4 13346 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 240690a_100000207549_217856618621 [0,2,0,0,0,0|1,0,1]=4 13347 B10R0.81 CCCCN(C)C(C)C(C)C 2230a_100000228512_100000210211 [0,2,0,0,0,0|2,0,0]=4 13348 B10R0.81 CCCCN(C)C(C)C(C)C 269982a_100000228512_100000210211 [0,2,0,0,0,0|2,0,0]=4 13349 B10R0.87 C#CC(CC(C)C)OCCC 34a_100011215986_100000210303 [0,2,0,0,0,0|2,0,0]=4 13350 B10R0.87 C#CC(CC(C)C)OCCC 7a_100011215986_100000210303 [0,2,0,0,0,0|2,0,0]=4 13351 B10R0.87 C#CC(CCCC)OC(C)C 34a_200011217967_100000210206 [0,2,0,0,0,0|2,0,0]=4 13352 B10R0.87 C#CC(CCCC)OC(C)C 7a_200011217967_100000210206 [0,2,0,0,0,0|2,0,0]=4 13353 B10R0.87 C=CC(CC(C)C)OCCC 34a_100012186643_100000210303 [0,2,0,0,0,0|2,0,0]=4 13354 B10R0.87 C=CC(CC(C)C)OCCC 7a_100012186643_100000210303 [0,2,0,0,0,0|2,0,0]=4 13355 B10R0.87 C=CC(CCCC)OC(C)C 34a_200011215037_100000210206 [0,2,0,0,0,0|2,0,0]=4 13356 B10R0.87 C=CC(CCCC)OC(C)C 7a_200011215037_100000210206 [0,2,0,0,0,0|2,0,0]=4 13357 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|0,0,2]=4 13358 B10R0.87 CCCCC(CC)CN(C)C 2230a_100102631434_100000211942 [0,2,0,0,0,0|2,0,0]=4 13359 B10R0.87 CCCCC(CC)CN(C)C 269982a_100102631434_100000211942 [0,2,0,0,0,0|2,0,0]=4 13360 B10R0.87 CCCCC(CC)CN(C)C 270004a_100102631434_100011219736 [0,2,0,0,0,0|2,0,0]=4 13361 B10R0.87 CCCCC(CC)NC(C)C 34a_100138425928_200011216223 [0,2,0,0,0,0|2,0,0]=4 13362 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [0,2,0,0,0,0|2,0,0]=4 13363 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [0,2,0,0,0,0|2,0,0]=4 13364 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [0,2,0,0,0,0|2,0,0]=4 13365 B10R0.87 CCCCC(CC)SC(C)C 62a_100000210206_200011216223 [0,2,0,0,0,0|2,0,0]=4 13366 B10R0.87 CCCCC(CC)SC(C)C 62a_200011216223_100000210206 [0,2,0,0,0,0|2,0,0]=4 13367 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000207695_100000210760 [0,2,0,0,0,0|2,0,0]=4 13368 B10R0.87 CCCCN(CC)CC(C)C 2230a_100000738554_100000210211 [0,2,0,0,0,0|2,0,0]=4 13369 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000207695_100000210624 [0,2,0,0,0,0|2,0,0]=4 13370 B10R0.87 CCCCN(CC)CC(C)C 269982a_100000738554_100000210211 [0,2,0,0,0,0|2,0,0]=4 13371 B10R0.87 CCCCN(CC)CC(C)C 270004a_100000207695_100000210432 [0,2,0,0,0,0|2,0,0]=4 13372 B10R0.87 CCCCN(CC)CC(C)O 2230a_100000207695_100011218427 [0,2,0,0,0,0|1,0,0]=3 13373 B10R0.87 CCCCN(CC)CC(C)O 269982a_100000207695_100011218427 [0,2,0,0,0,0|1,0,0]=3 13374 B10R0.87 CCCCN(CC)C[C@@H](C)O 2230a_100000207695_100009817552 [0,2,0,0,0,0|1,0,0]=3 13375 B10R0.87 CCCCN(CC)C[C@@H](C)O 269982a_100000207695_100009817552 [0,2,0,0,0,0|1,0,0]=3 13376 B10R0.87 CCCCN(CC)C[C@H](C)O 2230a_100000729506_100000210211 [0,2,0,0,0,0|1,0,0]=3 13377 B10R0.87 CCCCN(CC)C[C@H](C)O 269982a_100000729506_100000210211 [0,2,0,0,0,0|1,0,0]=3 13378 B10R0.87 CCCC[C@@H](CO)NC(C)C 2230a_100011934283_100000210206 [0,2,0,0,0,0|2,0,0]=4 13379 B10R0.87 CCCC[C@@H](CO)NC(C)C 34a_100011934283_100000210206 [0,2,0,0,0,0|2,0,0]=4 13380 B10R0.87 CCCNC(C#N)CC(C)C 2230a_100000741378_100000210303 [0,2,0,0,0,0|2,0,0]=4 13381 B10R0.87 CCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210303 [0,2,0,0,0,0|2,0,0]=4 13382 B10R0.87 CCCN[C@H](CO)CC(C)C 34a_100011830311_100000210303 [0,2,0,0,0,0|2,0,0]=4 13383 B10R0.87 CCCOC(C#N)CC(C)C 34a_200011294978_100000210303 [0,2,0,0,0,0|2,0,0]=4 13384 B10R0.87 CCCOC(C#N)CC(C)C 7a_200011294978_100000210303 [0,2,0,0,0,0|2,0,0]=4 13385 B10R0.87 CCN(CCCF)C[C@H](C)O 2230a_100000729506_100011934791 [0,2,0,0,0,0|2,0,0]=4 13386 B10R0.87 CCN(CCCF)C[C@H](C)O 269982a_100000729506_100011934791 [0,2,0,0,0,0|2,0,0]=4 13387 B10R0.87 CCN(CCCO)C[C@H](C)O 2230a_100000729506_100000230001 [0,2,0,0,0,0|2,0,0]=4 13388 B10R0.87 CCN(CCCO)C[C@H](C)O 269982a_100000729506_100011215043 [0,2,0,0,0,0|2,0,0]=4 13389 B10R0.87 CCN(CCOC)CC(C)O 2230a_100000731262_100011218427 [0,2,0,0,0,0|2,0,0]=4 13390 B10R0.87 CCN(CCOC)CC(C)O 269982a_100000731262_100011218427 [0,2,0,0,0,0|2,0,0]=4 13391 B10R0.87 CCN(CCOC)C[C@@H](C)O 2230a_100000731262_100009817552 [0,2,0,0,0,0|2,0,0]=4 13392 B10R0.87 CCN(CCOC)C[C@@H](C)O 269982a_100000731262_100009817552 [0,2,0,0,0,0|2,0,0]=4 13393 B10R0.87 CCN(CCOC)C[C@H](C)O 2230a_100000729506_100011201679 [0,2,0,0,0,0|2,0,0]=4 13394 B10R0.87 CCN(CCOC)C[C@H](C)O 269982a_100000729506_100000233755 [0,2,0,0,0,0|2,0,0]=4 13395 B10R0.87 CCN(CCSC)C[C@H](C)O 2230a_100000729506_100000751147 [0,2,0,0,0,0|2,0,0]=4 13396 B10R0.87 CCN(CCSC)C[C@H](C)O 269982a_100000729506_100000212216 [0,2,0,0,0,0|2,0,0]=4 13397 B10R0.87 CCNCC(CO)CC(C)C 34a_200000723437_100000210202 [0,2,0,0,0,0|2,0,0]=4 13398 B10R0.87 CCOCC(CC)CC(C)C 34a_100012186708_100000210202 [0,2,0,0,0,0|2,0,0]=4 13399 B10R0.87 CCOCC(CC)CC(C)C 7a_100012186708_100000210202 [0,2,0,0,0,0|2,0,0]=4 13400 B10R0.87 CCOCC(CN)CC(C)C 34a_200000723437_100000210202 [0,2,0,0,0,0|2,0,0]=4 13401 B10R0.87 CCOCN(CC)C[C@H](C)O 269982a_100000729506_100000739092 [0,2,0,0,0,0|2,0,0]=4 13402 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,2,0,0,0,0|0,0,2]=4 13403 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,2,0,0,0,0|0,0,2]=4 13404 B10R0.96 C=C(C)CCN(C)CC(C)O 2230a_100000227577_100000730704 [0,2,0,0,0,0|1,0,1]=4 13405 B10R0.96 C=C(C)CCN(C)CC(C)O 269982a_100000227577_100000730704 [0,2,0,0,0,0|1,0,1]=4 13406 B10R0.96 C=C(C)CN(C)CCC(C)O 2230a_100000225649_100012276601 [0,2,0,0,0,0|1,0,1]=4 13407 B10R0.96 C=C(C)CN(C)CCC(C)O 269982a_100000225649_100012276601 [0,2,0,0,0,0|1,0,1]=4 13408 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,2,0,0,0,0|1,0,1]=4 13409 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,2,0,0,0,0|0,0,1]=3 13410 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,2,0,0,0,0|1,0,1]=4 13411 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,2,0,0,0,0|1,0,1]=4 13412 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,2,0,0,0,0|1,0,1]=4 13413 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000210904_100000731052 [0,2,0,0,0,0|1,0,0]=3 13414 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000692259_100011218427 [0,2,0,0,0,0|1,0,0]=3 13415 B10R0.96 CC(C)CC(C)NCC(C)O 34a_100000210904_100000731052 [0,2,0,0,0,0|1,0,0]=3 13416 B10R0.96 CC(C)CC(C)NC[C@@H](C)O 2230a_100000692259_100009817552 [0,2,0,0,0,0|1,0,0]=3 13417 B10R0.96 CC(C)CC(C)OCC(C)Br 34a_100012180447_100000731052 [0,2,0,0,0,0|2,0,0]=4 13418 B10R0.96 CC(C)CC(C)OCC(C)F 34a_100015925927_100000731052 [0,2,0,0,0,0|2,0,0]=4 13419 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,2,0,0,0,0|1,0,0]=3 13420 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,2,0,0,0,0|1,0,0]=3 13421 B10R0.96 CC(C)CC(C)OC[C@@H](C)Cl 34a_100016084084_100000731052 [0,2,0,0,0,0|2,0,0]=4 13422 B10R0.96 CC(C)CC(C)OC[C@@H](C)N 34a_100000737577_100000731052 [0,2,0,0,0,0|2,0,0]=4 13423 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,2,0,0,0,0|1,0,0]=3 13424 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,2,0,0,0,0|1,0,0]=3 13425 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100000731052_100011218427 [0,2,0,0,0,0|1,0,0]=3 13426 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100011218427_100000731052 [0,2,0,0,0,0|1,0,0]=3 13427 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100000731052_100009817552 [0,2,0,0,0,0|1,0,0]=3 13428 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100009817552_100000731052 [0,2,0,0,0,0|1,0,0]=3 13429 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,2,0,0,0,0|1,0,1]=4 13430 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,2,0,0,0,0|1,0,1]=4 13431 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,2,0,0,0,0|0,0,1]=3 13432 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,2,0,0,0,0|0,0,1]=3 13433 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138410893_100000210206 [0,2,0,0,0,0|2,0,0]=4 13434 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138425928_100011261404 [0,2,0,0,0,0|2,0,0]=4 13435 B10R0.96 CC(C)CCC(C)NC(C)C 34a_100138425928_100011261404 [0,2,0,0,0,0|2,0,0]=4 13436 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,2,0,0,0,0|2,0,0]=4 13437 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,2,0,0,0,0|2,0,0]=4 13438 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,2,0,0,0,0|2,0,0]=4 13439 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100000210206_100011261404 [0,2,0,0,0,0|2,0,0]=4 13440 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100011261404_100000210206 [0,2,0,0,0,0|2,0,0]=4 13441 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,2,0,0,0,0|2,0,0]=4 13442 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,2,0,0,0,0|2,0,0]=4 13443 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,2,0,0,0,0|2,0,0]=4 13444 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,2,0,0,0,0|2,0,0]=4 13445 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,2,0,0,0,0|2,0,0]=4 13446 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,2,0,0,0,0|1,0,0]=3 13447 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,2,0,0,0,0|1,0,0]=3 13448 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,2,0,0,0,0|1,0,0]=3 13449 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,2,0,0,0,0|1,0,0]=3 13450 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,2,0,0,0,0|1,0,0]=3 13451 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,2,0,0,0,0|1,0,0]=3 13452 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [0,2,0,0,0,0|1,0,0]=3 13453 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [0,2,0,0,0,0|1,0,0]=3 13454 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,2,0,0,0,0|1,0,1]=4 13455 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000210953_100000731052 [0,2,0,0,0,0|2,0,0]=4 13456 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000692259_100000210760 [0,2,0,0,0,0|2,0,0]=4 13457 B10R0.96 CC(C)CNC(C)CC(C)C 270004a_100000692259_100000210432 [0,2,0,0,0,0|2,0,0]=4 13458 B10R0.96 CC(C)CNC(C)CC(C)C 34a_100000210953_100000731052 [0,2,0,0,0,0|2,0,0]=4 13459 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,2,0,0,0,0|2,0,0]=4 13460 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,2,0,0,0,0|2,0,0]=4 13461 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,2,0,0,0,0|2,0,0]=4 13462 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000210624_100000731052 [0,2,0,0,0,0|2,0,0]=4 13463 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000731052_100000210760 [0,2,0,0,0,0|2,0,0]=4 13464 B10R0.96 CC(C)C[C@H](N)COC(C)C 34a_100011830311_100000210206 [0,2,0,0,0,0|2,0,0]=4 13465 B10R0.96 CC(CN(C)C)SC[C@@H](C)O 62a_100009817552_100020606517 [0,2,0,0,0,0|2,0,0]=4 13466 B10R0.96 CC(CN(C)C)SC[C@@H](C)O 62a_100020606517_100009817552 [0,2,0,0,0,0|2,0,0]=4 13467 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,2,0,0,0,0|1,0,1]=4 13468 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,2,0,0,0,0|1,0,1]=4 13469 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,2,0,0,0,0|1,0,1]=4 13470 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,2,0,0,0,0|1,0,1]=4 13471 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,2,0,0,0,0|0,0,1]=3 13472 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,2,0,0,0,0|1,0,1]=4 13473 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,2,0,0,0,0|1,0,1]=4 13474 B10R0.96 CC(O)CCN(C)CC(C)O 2230a_100000227577_100012276601 [0,2,0,0,0,0|1,0,0]=3 13475 B10R0.96 CC(O)CCN(C)CC(C)O 269982a_100000227577_100012276601 [0,2,0,0,0,0|1,0,0]=3 13476 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000225618_100011218427 [0,2,0,0,0,0|2,0,0]=4 13477 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000227577_100000755713 [0,2,0,0,0,0|2,0,0]=4 13478 B10R0.96 CC(O)CN(C)COC(C)C 2230a_100000227577_100000709892 [0,2,0,0,0,0|2,0,0]=4 13479 B10R0.96 CC(O)CN(C)COC(C)C 269982a_100000227577_100000709892 [0,2,0,0,0,0|2,0,0]=4 13480 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,2,0,0,0,0|1,0,1]=4 13481 B10R0.96 CC(O)CSC(C)CN(C)C 62a_100011218427_100020606517 [0,2,0,0,0,0|2,0,0]=4 13482 B10R0.96 CC(O)CSC(C)CN(C)C 62a_100020606517_100011218427 [0,2,0,0,0,0|2,0,0]=4 13483 B10R0.96 C[C@@H](O)CN(C)CCN(C)C 269982a_100000225618_100009817552 [0,2,0,0,0,0|2,0,0]=4 13484 B10R0.122 CCCCC(C)(C)OC(C)C 7a_100011219641_100000210206 [0,2,0,0,0,0|2,0,0]=4 13485 B10R0.122 CCCNC(C)(C)CC(C)C 2230a_100011346068_100000210303 [0,2,0,0,0,0|2,0,0]=4 13486 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,2,0,0,0,0|1,0,1]=4 13487 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,2,0,0,0,0|1,0,1]=4 13488 B10R0.5 CC(NCCCF)C(C)(C)O 269862a_100015189416_100000747739 [0,2,0,0,0,0|2,0,0]=4 13489 B10R0.5 CC(NCCCO)C(C)(C)O 269862a_100000182051_100000747739 [0,2,0,0,0,0|2,0,0]=4 13490 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|1,0,1]=4 13491 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|1,0,1]=4 13492 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|0,0,1]=3 13493 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100000223495_100000210625 [0,2,0,0,0,0|2,0,0]=4 13494 B10R0.5 CCCCCN(C)C(C)(C)C 269982a_100011215553_100000210215 [0,2,0,0,0,0|2,0,0]=4 13495 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,2,0,0,0,0|1,0,1]=4 13496 B10R0.5 CCCCNC(C)C(C)(C)O 269862a_100000102301_100000747739 [0,2,0,0,0,0|1,0,0]=3 13497 B10R0.5 CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210211 [0,2,0,0,0,0|1,0,0]=3 13498 B10R0.5 CCCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210211 [0,2,0,0,0,0|2,0,0]=4 13499 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,2,0,0,0,0|1,0,1]=4 13500 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|1,0,1]=4 13501 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|1,0,1]=4 13502 B10R0.5 COCCNC(C)C(C)(C)O 269862a_100000209980_100000747739 [0,2,0,0,0,0|2,0,0]=4 13503 B10R0.5 COCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011201679 [0,2,0,0,0,0|2,0,0]=4 13504 B10R0.5 CSCCNC(C)C(C)(C)O 269862a_100020590264_100000747739 [0,2,0,0,0,0|2,0,0]=4 13505 B10R0.5 CSCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000751147 [0,2,0,0,0,0|2,0,0]=4 13506 B10R0.5 C[C@H](NCCCF)C(C)(C)O 2230a_100025708725_100011934791 [0,2,0,0,0,0|2,0,0]=4 13507 B10R0.5 C[C@H](NCCCO)C(C)(C)O 2230a_100025708725_100000230001 [0,2,0,0,0,0|2,0,0]=4 13508 B10R0.15 C=C(C)CCNCC(C)(C)O 2230a_100000751335_100000730704 [0,2,0,0,0,0|1,0,1]=4 13509 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [0,2,0,0,0,0|1,0,1]=4 13510 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000730704_100000764493 [0,2,0,0,0,0|1,0,1]=4 13511 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000764493_100000730704 [0,2,0,0,0,0|1,0,1]=4 13512 B10R0.15 C=C(C)COCCC(C)(C)O 34a_100000210245_100000702414 [0,2,0,0,0,0|1,0,1]=4 13513 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000702414_100000211660 [0,2,0,0,0,0|1,0,1]=4 13514 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000748629_100000702414 [0,2,0,0,0,0|1,0,1]=4 13515 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [0,2,0,0,0,0|1,0,1]=4 13516 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [0,2,0,0,0,0|1,0,1]=4 13517 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [0,2,0,0,0,0|1,0,1]=4 13518 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [0,2,0,0,0,0|1,0,1]=4 13519 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,2,0,0,0,0|1,0,1]=4 13520 B10R0.15 CC(Br)CCOCC(C)(C)C 34a_100009893172_100011219605 [0,2,0,0,0,0|2,0,0]=4 13521 B10R0.15 CC(Br)CCOCC(C)(C)F 34a_100009893172_100011997219 [0,2,0,0,0,0|2,0,0]=4 13522 B10R0.15 CC(Br)CCOCC(C)(C)O 34a_100009893172_100000764493 [0,2,0,0,0,0|1,0,0]=3 13523 B10R0.15 CC(Br)COCCC(C)(C)C 34a_100012180447_100000755188 [0,2,0,0,0,0|2,0,0]=4 13524 B10R0.15 CC(Br)COCCC(C)(C)O 34a_100012180447_100000702414 [0,2,0,0,0,0|1,0,0]=3 13525 B10R0.15 CC(C)(O)CCNCC(F)F 34a_100000765723_100000702414 [0,2,0,0,0,0|2,0,0]=4 13526 B10R0.15 CC(C)(O)CCOCC(F)F 34a_100000743014_100000702414 [0,2,0,0,0,0|2,0,0]=4 13527 B10R0.15 CC(C)(O)CCSCC(F)F 62a_100000702414_100011934356 [0,2,0,0,0,0|2,0,0]=4 13528 B10R0.15 CC(C)(O)CCSCC(F)F 62a_100011934356_100000702414 [0,2,0,0,0,0|2,0,0]=4 13529 B10R0.15 CC(C)(O)COCCC(F)F 34a_100103093639_100000764493 [0,2,0,0,0,0|2,0,0]=4 13530 B10R0.15 CC(C)CCCNC(C)(C)C 2230a_100000715429_100011214892 [0,2,0,0,0,0|2,0,0]=4 13531 B10R0.15 CC(C)CCCNC(C)(C)C 34a_200000737386_100000210625 [0,2,0,0,0,0|2,0,0]=4 13532 B10R0.15 CC(C)CCCOC(C)(C)C 34a_100000210774_100000210625 [0,2,0,0,0,0|2,0,0]=4 13533 B10R0.15 CC(C)CCCOC(C)(C)C 34a_100015890283_100011214892 [0,2,0,0,0,0|2,0,0]=4 13534 B10R0.15 CC(C)CCCOC(C)(C)C 7a_100015890283_100011214892 [0,2,0,0,0,0|2,0,0]=4 13535 B10R0.15 CC(C)CCCSC(C)(C)C 62a_100000211941_100011214892 [0,2,0,0,0,0|2,0,0]=4 13536 B10R0.15 CC(C)CCCSC(C)(C)C 62a_100011214892_100000211941 [0,2,0,0,0,0|2,0,0]=4 13537 B10R0.15 CC(C)CCNCC(C)(C)C 2230a_100000743828_100000210312 [0,2,0,0,0,0|2,0,0]=4 13538 B10R0.15 CC(C)CCNCC(C)(C)C 269862a_100000743828_100000185833 [0,2,0,0,0,0|2,0,0]=4 13539 B10R0.15 CC(C)CCNCC(C)(C)C 270004a_100000210545_100011204126 [0,2,0,0,0,0|2,0,0]=4 13540 B10R0.15 CC(C)CCNCC(C)(C)F 2230a_100020643315_100000210312 [0,2,0,0,0,0|2,0,0]=4 13541 B10R0.15 CC(C)CCNCC(C)(C)F 269862a_100020643315_100000185833 [0,2,0,0,0,0|2,0,0]=4 13542 B10R0.15 CC(C)CCNCC(C)(C)O 2230a_100000751335_100000210312 [0,2,0,0,0,0|1,0,0]=3 13543 B10R0.15 CC(C)CCNCC(C)(C)O 269862a_100000751335_100000185833 [0,2,0,0,0,0|1,0,0]=3 13544 B10R0.15 CC(C)CCNCC(C)(F)F 269862a_100000731000_100000185833 [0,2,0,0,0,0|2,0,0]=4 13545 B10R0.15 CC(C)CCOCC(C)(C)C 34a_100000210254_100011219605 [0,2,0,0,0,0|2,0,0]=4 13546 B10R0.15 CC(C)CCOCC(C)(C)F 34a_100000210254_100011997219 [0,2,0,0,0,0|2,0,0]=4 13547 B10R0.15 CC(C)CCOCC(C)(C)F 34a_100000716592_100000210312 [0,2,0,0,0,0|2,0,0]=4 13548 B10R0.15 CC(C)CCOCC(C)(C)O 34a_100000210254_100000764493 [0,2,0,0,0,0|1,0,0]=3 13549 B10R0.15 CC(C)CCOCC(C)(C)O 7a_100000210254_100000764493 [0,2,0,0,0,0|1,0,0]=3 13550 B10R0.15 CC(C)CCOCC(C)(F)F 34a_100000068830_100000210312 [0,2,0,0,0,0|2,0,0]=4 13551 B10R0.15 CC(C)CCSCC(C)(C)C 62a_100000210312_100011219605 [0,2,0,0,0,0|2,0,0]=4 13552 B10R0.15 CC(C)CCSCC(C)(C)C 62a_100011219605_100000210312 [0,2,0,0,0,0|2,0,0]=4 13553 B10R0.15 CC(C)CCSCC(C)(C)F 62a_100000210312_100011997219 [0,2,0,0,0,0|2,0,0]=4 13554 B10R0.15 CC(C)CCSCC(C)(C)F 62a_100011997219_100000210312 [0,2,0,0,0,0|2,0,0]=4 13555 B10R0.15 CC(C)CCSCC(C)(C)O 62a_100000210312_100000764493 [0,2,0,0,0,0|1,0,0]=3 13556 B10R0.15 CC(C)CCSCC(C)(C)O 62a_100000764493_100000210312 [0,2,0,0,0,0|1,0,0]=3 13557 B10R0.15 CC(C)CNCCC(C)(C)C 2230a_100000210953_100000755188 [0,2,0,0,0,0|2,0,0]=4 13558 B10R0.15 CC(C)CNCCC(C)(C)C 2230a_100000738805_100000210760 [0,2,0,0,0,0|2,0,0]=4 13559 B10R0.15 CC(C)CNCCC(C)(C)C 270004a_100000738805_100000210432 [0,2,0,0,0,0|2,0,0]=4 13560 B10R0.15 CC(C)CNCCC(C)(C)C 34a_100000210953_100000755188 [0,2,0,0,0,0|2,0,0]=4 13561 B10R0.15 CC(C)CNCCC(C)(C)F 2230a_100016253952_100000210760 [0,2,0,0,0,0|2,0,0]=4 13562 B10R0.15 CC(C)CNCCC(C)(C)F 270004a_100016253952_100000210432 [0,2,0,0,0,0|2,0,0]=4 13563 B10R0.15 CC(C)CNCCC(C)(C)O 2230a_100000210953_100000702414 [0,2,0,0,0,0|1,0,0]=3 13564 B10R0.15 CC(C)CNCCC(C)(C)O 270004a_100000707701_100000210432 [0,2,0,0,0,0|1,0,0]=3 13565 B10R0.15 CC(C)CNCCC(C)(C)O 34a_100000210953_100000702414 [0,2,0,0,0,0|1,0,0]=3 13566 B10R0.15 CC(C)COCCC(C)(C)C 34a_100000210257_100000755188 [0,2,0,0,0,0|2,0,0]=4 13567 B10R0.15 CC(C)COCCC(C)(C)C 7a_100000765024_100000210760 [0,2,0,0,0,0|2,0,0]=4 13568 B10R0.15 CC(C)COCCC(C)(C)O 34a_100000210257_100000702414 [0,2,0,0,0,0|1,0,0]=3 13569 B10R0.15 CC(C)CSCCC(C)(C)C 62a_100000210624_100000755188 [0,2,0,0,0,0|2,0,0]=4 13570 B10R0.15 CC(C)CSCCC(C)(C)C 62a_100000755188_100000210760 [0,2,0,0,0,0|2,0,0]=4 13571 B10R0.15 CC(C)CSCCC(C)(C)O 62a_100000210624_100000702414 [0,2,0,0,0,0|1,0,0]=3 13572 B10R0.15 CC(C)CSCCC(C)(C)O 62a_100000702414_100000210760 [0,2,0,0,0,0|1,0,0]=3 13573 B10R0.15 CC(C)NCCCC(C)(C)O 2230a_100138425928_100009888830 [0,2,0,0,0,0|1,0,0]=3 13574 B10R0.15 CC(C)NCCCC(C)(C)O 34a_100138425928_100009888830 [0,2,0,0,0,0|1,0,0]=3 13575 B10R0.15 CC(C)OCCCC(C)(C)O 34a_100000212225_100009888830 [0,2,0,0,0,0|1,0,0]=3 13576 B10R0.15 CC(C)OCNCC(C)(C)O 2230a_100000751335_100000709892 [0,2,0,0,0,0|2,0,0]=4 13577 B10R0.15 CC(C)OCSCC(C)(C)O 62a_100000709892_100000764493 [0,2,0,0,0,0|2,0,0]=4 13578 B10R0.15 CC(C)OCSCC(C)(C)O 62a_100000764493_100000709892 [0,2,0,0,0,0|2,0,0]=4 13579 B10R0.15 CC(C)SCCCC(C)(C)O 62a_100000210206_100009888830 [0,2,0,0,0,0|1,0,0]=3 13580 B10R0.15 CC(C)SCCCC(C)(C)O 62a_100009888830_100000210206 [0,2,0,0,0,0|1,0,0]=3 13581 B10R0.15 CC(F)COCCC(C)(C)C 34a_100015925927_100000755188 [0,2,0,0,0,0|2,0,0]=4 13582 B10R0.15 CC(F)COCCC(C)(C)O 34a_100015925927_100000702414 [0,2,0,0,0,0|1,0,0]=3 13583 B10R0.15 CC(O)CCCNC(C)(C)C 2230a_100000715429_200000718107 [0,2,0,0,0,0|1,0,0]=3 13584 B10R0.15 CC(O)CCCOC(C)(C)C 34a_100015890283_200000718107 [0,2,0,0,0,0|1,0,0]=3 13585 B10R0.15 CC(O)CCCOC(C)(C)C 7a_100015890283_200000718107 [0,2,0,0,0,0|1,0,0]=3 13586 B10R0.15 CC(O)CCCSC(C)(C)C 62a_100000211941_200000718107 [0,2,0,0,0,0|1,0,0]=3 13587 B10R0.15 CC(O)CCCSC(C)(C)C 62a_200000718107_100000211941 [0,2,0,0,0,0|1,0,0]=3 13588 B10R0.15 CC(O)CCCSC(F)(F)F 62a_200000243211_200000718107 [0,2,0,0,0,0|2,0,0]=4 13589 B10R0.15 CC(O)CCCSC(F)(F)F 62a_200000718107_200103152311 [0,2,0,0,0,0|2,0,0]=4 13590 B10R0.15 CC(O)CCNCC(C)(C)C 2230a_100000743828_100012276601 [0,2,0,0,0,0|1,0,0]=3 13591 B10R0.15 CC(O)CCNCC(C)(C)C 270004a_200000755665_100011204126 [0,2,0,0,0,0|1,0,0]=3 13592 B10R0.15 CC(O)CCNCC(C)(C)F 2230a_100020643315_100012276601 [0,2,0,0,0,0|1,0,0]=3 13593 B10R0.15 CC(O)CCNCC(C)(C)O 2230a_100000751335_100012276601 [0,2,0,0,0,0|1,0,0]=3 13594 B10R0.15 CC(O)CCNCC(F)(F)F 2230a_200000755665_100000763148 [0,2,0,0,0,0|2,0,0]=4 13595 B10R0.15 CC(O)CCNCC(F)(F)F 34a_100000717047_100012276601 [0,2,0,0,0,0|2,0,0]=4 13596 B10R0.15 CC(O)CCNC[Si](C)(C)C 2230a_200000755665_100000037933 [0,2,0,0,0,0|1,1,0]=4 13597 B10R0.15 CC(O)CCOCC(C)(C)F 34a_100000716592_100012276601 [0,2,0,0,0,0|1,0,0]=3 13598 B10R0.15 CC(O)CCOCC(C)(F)F 34a_100000068830_100012276601 [0,2,0,0,0,0|1,0,0]=3 13599 B10R0.15 CC(O)CCOCC(F)(F)Br 34a_100011217949_100012276601 [0,2,0,0,0,0|2,0,0]=4 13600 B10R0.15 CC(O)CCOCC(F)(F)Cl 34a_100000734434_100012276601 [0,2,0,0,0,0|2,0,0]=4 13601 B10R0.15 CC(O)CCOCC(F)(F)F 34a_100000210435_100012276601 [0,2,0,0,0,0|2,0,0]=4 13602 B10R0.15 CC(O)CCSCC(C)(C)C 62a_100011219605_100012276601 [0,2,0,0,0,0|1,0,0]=3 13603 B10R0.15 CC(O)CCSCC(C)(C)C 62a_100012276601_100011219605 [0,2,0,0,0,0|1,0,0]=3 13604 B10R0.15 CC(O)CCSCC(C)(C)F 62a_100011997219_100012276601 [0,2,0,0,0,0|1,0,0]=3 13605 B10R0.15 CC(O)CCSCC(C)(C)F 62a_100012276601_100011997219 [0,2,0,0,0,0|1,0,0]=3 13606 B10R0.15 CC(O)CCSCC(C)(C)O 62a_100000764493_100012276601 [0,2,0,0,0,0|1,0,0]=3 13607 B10R0.15 CC(O)CCSCC(C)(C)O 62a_100012276601_100000764493 [0,2,0,0,0,0|1,0,0]=3 13608 B10R0.15 CC(O)CCSCC(F)(F)F 62a_100000763148_100012276601 [0,2,0,0,0,0|2,0,0]=4 13609 B10R0.15 CC(O)CCSCC(F)(F)F 62a_100012276601_100000763148 [0,2,0,0,0,0|2,0,0]=4 13610 B10R0.15 CC(O)CCSC[N+](C)(C)C 62a_100012276601_200000036245 [0,2,0,0,0,0|2,0,0]=4 13611 B10R0.15 CC(O)CCSC[N+](C)(C)C 62a_200000036245_100012276601 [0,2,0,0,0,0|2,0,0]=4 13612 B10R0.15 CC(O)CCSC[Si](C)(C)C 62a_100000037933_100012276601 [0,2,0,0,0,0|1,1,0]=4 13613 B10R0.15 CC(O)CCSC[Si](C)(C)C 62a_100012276601_100000037933 [0,2,0,0,0,0|1,1,0]=4 13614 B10R0.15 CC(O)CNCCC(C)(C)C 2230a_100000210904_100000755188 [0,2,0,0,0,0|1,0,0]=3 13615 B10R0.15 CC(O)CNCCC(C)(C)C 2230a_100000738805_100011218427 [0,2,0,0,0,0|1,0,0]=3 13616 B10R0.15 CC(O)CNCCC(C)(C)C 34a_100000210904_100000755188 [0,2,0,0,0,0|1,0,0]=3 13617 B10R0.15 CC(O)CNCCC(C)(C)F 2230a_100016253952_100011218427 [0,2,0,0,0,0|1,0,0]=3 13618 B10R0.15 CC(O)CNCCC(C)(C)O 2230a_100000210904_100000702414 [0,2,0,0,0,0|1,0,0]=3 13619 B10R0.15 CC(O)CNCCC(C)(C)O 34a_100000210904_100000702414 [0,2,0,0,0,0|1,0,0]=3 13620 B10R0.15 CC(O)CNCCC(F)(F)F 2230a_100000740434_100011218427 [0,2,0,0,0,0|2,0,0]=4 13621 B10R0.15 CC(O)CNCCC(F)(F)F 34a_100000210904_100011219754 [0,2,0,0,0,0|2,0,0]=4 13622 B10R0.15 CC(O)CNCCC(F)(F)F 34a_100000740434_100011218427 [0,2,0,0,0,0|2,0,0]=4 13623 B10R0.15 CC(O)CNCCS(=O)(=O)C 2230a_100000210904_100000731031 [0,2,0,0,0,0|2,0,0]=4 13624 B10R0.15 CC(O)CNCCS(=O)(=O)C 2230a_100000740961_100011218427 [0,2,0,0,0,0|2,0,0]=4 13625 B10R0.15 CC(O)CNCCS(=O)(=O)C 34a_100000210904_100000731031 [0,2,0,0,0,0|2,0,0]=4 13626 B10R0.15 CC(O)CNCCS(=O)(=O)C 34a_100000740961_100011218427 [0,2,0,0,0,0|2,0,0]=4 13627 B10R0.15 CC(O)CNCC[N+](C)(C)C 34a_100000210904_100000085578 [0,2,0,0,0,0|2,0,0]=4 13628 B10R0.15 CC(O)CNCC[Si](C)(C)C 2230a_100000210904_200000733723 [0,2,0,0,0,0|1,1,0]=4 13629 B10R0.15 CC(O)CNCC[Si](C)(C)C 34a_100000210904_200000733723 [0,2,0,0,0,0|1,1,0]=4 13630 B10R0.15 CC(O)COCCC(C)(C)C 7a_100000765024_100011218427 [0,2,0,0,0,0|1,0,0]=3 13631 B10R0.15 CC(O)COCCC(F)(F)F 34a_100000752437_100011218427 [0,2,0,0,0,0|2,0,0]=4 13632 B10R0.15 CC(O)COCCS(=O)(=O)C 34a_100000211924_100011218427 [0,2,0,0,0,0|2,0,0]=4 13633 B10R0.15 CC(O)COCCS(=O)(=O)C 7a_100000211924_100011218427 [0,2,0,0,0,0|2,0,0]=4 13634 B10R0.15 CC(O)COCC[N+](C)(C)C 7a_200020618287_100011218427 [0,2,0,0,0,0|2,0,0]=4 13635 B10R0.15 CC(O)COCC[Si](C)(C)C 7a_100000039746_100011218427 [0,2,0,0,0,0|1,1,0]=4 13636 B10R0.15 CC(O)CSCCC(C)(C)C 62a_100000755188_100011218427 [0,2,0,0,0,0|1,0,0]=3 13637 B10R0.15 CC(O)CSCCC(C)(C)C 62a_100011218427_100000755188 [0,2,0,0,0,0|1,0,0]=3 13638 B10R0.15 CC(O)CSCCC(C)(C)O 62a_100000702414_100011218427 [0,2,0,0,0,0|1,0,0]=3 13639 B10R0.15 CC(O)CSCCC(C)(C)O 62a_100011218427_100000702414 [0,2,0,0,0,0|1,0,0]=3 13640 B10R0.15 CC(O)CSCCC(F)(F)F 62a_100011218427_100011219754 [0,2,0,0,0,0|2,0,0]=4 13641 B10R0.15 CC(O)CSCCC(F)(F)F 62a_100011219754_100011218427 [0,2,0,0,0,0|2,0,0]=4 13642 B10R0.15 CC(O)CSCCS(=O)(=O)C 62a_100000731031_100011218427 [0,2,0,0,0,0|2,0,0]=4 13643 B10R0.15 CC(O)CSCCS(=O)(=O)C 62a_100011218427_100000230027 [0,2,0,0,0,0|2,0,0]=4 13644 B10R0.15 CC(O)CSCC[N+](C)(C)C 62a_100000085578_100011218427 [0,2,0,0,0,0|2,0,0]=4 13645 B10R0.15 CC(O)CSCC[N+](C)(C)C 62a_100011218427_100000085578 [0,2,0,0,0,0|2,0,0]=4 13646 B10R0.15 CC(O)CSCC[Si](C)(C)C 62a_100011218427_200000733723 [0,2,0,0,0,0|1,1,0]=4 13647 B10R0.15 CC(O)CSCC[Si](C)(C)C 62a_200000733723_100011218427 [0,2,0,0,0,0|1,1,0]=4 13648 B10R0.15 CN(C)CCSCC(C)(C)O 62a_100000764493_100000755713 [0,2,0,0,0,0|2,0,0]=4 13649 B10R0.15 C[C@@H](Cl)COCCC(C)(C)C 34a_100016084084_100000755188 [0,2,0,0,0,0|2,0,0]=4 13650 B10R0.15 C[C@@H](Cl)COCCC(C)(C)O 34a_100016084084_100000702414 [0,2,0,0,0,0|1,0,0]=3 13651 B10R0.15 C[C@@H](N)CCOCC(C)(C)C 34a_100000706166_100011219605 [0,2,0,0,0,0|2,0,0]=4 13652 B10R0.15 C[C@@H](N)CCOCC(C)(C)F 34a_100000706166_100011997219 [0,2,0,0,0,0|2,0,0]=4 13653 B10R0.15 C[C@@H](N)CCOCC(C)(C)O 34a_100000706166_100000764493 [0,2,0,0,0,0|1,0,0]=3 13654 B10R0.15 C[C@@H](N)COCCC(C)(C)C 34a_100000737577_100000755188 [0,2,0,0,0,0|2,0,0]=4 13655 B10R0.15 C[C@@H](N)COCCC(C)(C)O 34a_100000737577_100000702414 [0,2,0,0,0,0|1,0,0]=3 13656 B10R0.15 C[C@@H](O)CNCCC(C)(C)C 2230a_100000738805_100009817552 [0,2,0,0,0,0|1,0,0]=3 13657 B10R0.15 C[C@@H](O)CNCCC(C)(C)F 2230a_100016253952_100009817552 [0,2,0,0,0,0|1,0,0]=3 13658 B10R0.15 C[C@@H](O)CNCCC(F)(F)F 2230a_100000740434_100009817552 [0,2,0,0,0,0|2,0,0]=4 13659 B10R0.15 C[C@@H](O)CNCCC(F)(F)F 34a_100000740434_100009817552 [0,2,0,0,0,0|2,0,0]=4 13660 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)C 2230a_100000740961_100009817552 [0,2,0,0,0,0|2,0,0]=4 13661 B10R0.15 C[C@@H](O)CNCCS(=O)(=O)C 34a_100000740961_100009817552 [0,2,0,0,0,0|2,0,0]=4 13662 B10R0.15 C[C@@H](O)COCCC(C)(C)C 7a_100000765024_100009817552 [0,2,0,0,0,0|1,0,0]=3 13663 B10R0.15 C[C@@H](O)COCCC(F)(F)F 34a_100000752437_100009817552 [0,2,0,0,0,0|2,0,0]=4 13664 B10R0.15 C[C@@H](O)COCCS(=O)(=O)C 34a_100000211924_100009817552 [0,2,0,0,0,0|2,0,0]=4 13665 B10R0.15 C[C@@H](O)COCCS(=O)(=O)C 7a_100000211924_100009817552 [0,2,0,0,0,0|2,0,0]=4 13666 B10R0.15 C[C@@H](O)COCC[N+](C)(C)C 7a_200020618287_100009817552 [0,2,0,0,0,0|2,0,0]=4 13667 B10R0.15 C[C@@H](O)COCC[Si](C)(C)C 7a_100000039746_100009817552 [0,2,0,0,0,0|1,1,0]=4 13668 B10R0.15 C[C@@H](O)CSCCC(C)(C)C 62a_100000755188_100009817552 [0,2,0,0,0,0|1,0,0]=3 13669 B10R0.15 C[C@@H](O)CSCCC(C)(C)C 62a_100009817552_100000755188 [0,2,0,0,0,0|1,0,0]=3 13670 B10R0.15 C[C@@H](O)CSCCC(C)(C)O 62a_100000702414_100009817552 [0,2,0,0,0,0|1,0,0]=3 13671 B10R0.15 C[C@@H](O)CSCCC(C)(C)O 62a_100009817552_100000702414 [0,2,0,0,0,0|1,0,0]=3 13672 B10R0.15 C[C@@H](O)CSCCC(F)(F)F 62a_100009817552_100011219754 [0,2,0,0,0,0|2,0,0]=4 13673 B10R0.15 C[C@@H](O)CSCCC(F)(F)F 62a_100011219754_100009817552 [0,2,0,0,0,0|2,0,0]=4 13674 B10R0.15 C[C@@H](O)CSCCS(=O)(=O)C 62a_100000731031_100009817552 [0,2,0,0,0,0|2,0,0]=4 13675 B10R0.15 C[C@@H](O)CSCCS(=O)(=O)C 62a_100009817552_100000230027 [0,2,0,0,0,0|2,0,0]=4 13676 B10R0.15 C[C@@H](O)CSCC[N+](C)(C)C 62a_100000085578_100009817552 [0,2,0,0,0,0|2,0,0]=4 13677 B10R0.15 C[C@@H](O)CSCC[N+](C)(C)C 62a_100009817552_100000085578 [0,2,0,0,0,0|2,0,0]=4 13678 B10R0.15 C[C@@H](O)CSCC[Si](C)(C)C 62a_100009817552_200000733723 [0,2,0,0,0,0|1,1,0]=4 13679 B10R0.15 C[C@@H](O)CSCC[Si](C)(C)C 62a_200000733723_100009817552 [0,2,0,0,0,0|1,1,0]=4 13680 B10R0.62 C#CC(C)(C)NCCCCC 34a_100000054563_100000718602 [0,2,0,0,0,0|2,0,0]=4 13681 B10R0.62 C#CC(C)(C)OCCCCC 34a_100000189450_100000718602 [0,2,0,0,0,0|2,0,0]=4 13682 B10R0.62 C#CC(C)(C)OCCCCC 34a_100000210253_100000038118 [0,2,0,0,0,0|2,0,0]=4 13683 B10R0.62 C#CC(C)(C)OCCCCC 7a_100000189450_100000210326 [0,2,0,0,0,0|2,0,0]=4 13684 B10R0.62 C#CC(C)(C)SCCCCC 62a_100000038118_100000210326 [0,2,0,0,0,0|2,0,0]=4 13685 B10R0.62 C#CC(C)(C)SCCCCC 62a_100000210326_100000038118 [0,2,0,0,0,0|2,0,0]=4 13686 B10R0.62 C=CC(C)(C)OCCCCC 34a_100011215311_100000718602 [0,2,0,0,0,0|2,0,0]=4 13687 B10R0.62 C=CC(C)(C)OCCCCC 7a_100011215311_100000210326 [0,2,0,0,0,0|2,0,0]=4 13688 B10R0.62 CC(C)(CCCCCBr)O[13CH3] 7a_100010402123_200025704644 [0,2,0,0,0,0|1,0,0]=3 13689 B10R0.62 CC(C)(CO)CNCCCF 2230a_100020635058_100011934791 [0,2,0,0,0,0|2,0,0]=4 13690 B10R0.62 CC(C)(CO)CNCCCF 34a_100015189416_100009813988 [0,2,0,0,0,0|2,0,0]=4 13691 B10R0.62 CC(C)(CO)CNCCCO 2230a_100020635058_100000230001 [0,2,0,0,0,0|2,0,0]=4 13692 B10R0.62 CC(C)(CO)COCCCBr 34a_100011217188_100009813988 [0,2,0,0,0,0|2,0,0]=4 13693 B10R0.62 CC(C)(CO)COCCCCl 34a_100000230001_100009813988 [0,2,0,0,0,0|2,0,0]=4 13694 B10R0.62 CC(C)(CO)COCCCF 34a_100000759539_100009813988 [0,2,0,0,0,0|2,0,0]=4 13695 B10R0.62 CC(C)(CO)COCCCN 34a_100000182051_100009813988 [0,2,0,0,0,0|2,0,0]=4 13696 B10R0.62 CC(C)(CO)CSCCCF 62a_100009813988_100011934791 [0,2,0,0,0,0|2,0,0]=4 13697 B10R0.62 CC(C)(CO)CSCCCF 62a_100011934791_100009813988 [0,2,0,0,0,0|2,0,0]=4 13698 B10R0.62 CC(C)(CO)CSCCCO 62a_100009813988_100011215043 [0,2,0,0,0,0|2,0,0]=4 13699 B10R0.62 CC(C)(CO)CSCCCO 62a_100011215043_100009813988 [0,2,0,0,0,0|2,0,0]=4 13700 B10R0.62 CC(C)(CO)NCCCCF 2230a_100000210608_100000729493 [0,2,0,0,0,0|2,0,0]=4 13701 B10R0.62 CC(C)(CO)NCCCCO 2230a_100000210608_100000210776 [0,2,0,0,0,0|2,0,0]=4 13702 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|0,0,0]=2 13703 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|0,0,0]=2 13704 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [0,2,0,0,0,0|1,0,1]=4 13705 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [0,2,0,0,0,0|1,0,1]=4 13706 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [0,2,0,0,0,0|2,0,0]=4 13707 B10R0.62 CCCCCNC(C)(C)CO 2230a_100000210608_100000210326 [0,2,0,0,0,0|1,0,0]=3 13708 B10R0.62 CCCCCOC(C)(C)C#N 34a_100000210253_100011162410 [0,2,0,0,0,0|2,0,0]=4 13709 B10R0.62 CCCCCOC(C)(C)C#N 34a_200015195151_100000718602 [0,2,0,0,0,0|2,0,0]=4 13710 B10R0.62 CCCCCOC(C)(C)C#N 7a_100000210253_100011162410 [0,2,0,0,0,0|2,0,0]=4 13711 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,2,0,0,0,0|2,0,0]=4 13712 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,2,0,0,0,0|2,0,0]=4 13713 B10R0.62 CCCCCOC(C)(C)CCl 7a_100000764493_100000210326 [0,2,0,0,0,0|2,0,0]=4 13714 B10R0.62 CCCCCSC(C)(C)C#N 62a_100000210326_100011162410 [0,2,0,0,0,0|2,0,0]=4 13715 B10R0.62 CCCCCSC(C)(C)C#N 62a_100011162410_100000210326 [0,2,0,0,0,0|2,0,0]=4 13716 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [0,2,0,0,0,0|2,0,0]=4 13717 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [0,2,0,0,0,0|2,0,0]=4 13718 B10R0.62 CCCCCSC(F)(F)CO 62a_100000210326_100011217949 [0,2,0,0,0,0|2,0,0]=4 13719 B10R0.62 CCCCCSC(F)(F)CO 62a_100011217949_100000210326 [0,2,0,0,0,0|2,0,0]=4 13720 B10R0.62 CCCCNCC(C)(C)CO 2230a_100020635058_100000210211 [0,2,0,0,0,0|1,0,0]=3 13721 B10R0.62 CCCCNCC(C)(C)CO 7a_106832991798_100009813988 [0,2,0,0,0,0|1,0,0]=3 13722 B10R0.62 CCCCNCC(C)(C)OC 2230a_100000763424_100000210211 [0,2,0,0,0,0|1,0,0]=3 13723 B10R0.62 CCCCNCC(C)(C)SC 270004a_100000102301_100009845794 [0,2,0,0,0,0|1,1,0]=4 13724 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,2,0,0,0,0|2,0,0]=4 13725 B10R0.62 CCCCOCC(C)(C)CCl 7a_100011217199_100000210211 [0,2,0,0,0,0|2,0,0]=4 13726 B10R0.62 CCCCOCC(C)(C)CO 34a_100000210227_100009813988 [0,2,0,0,0,0|1,0,0]=3 13727 B10R0.62 CCCCOCC(C)(C)CO 7a_100000210227_100009813988 [0,2,0,0,0,0|1,0,0]=3 13728 B10R0.62 CCCCOCC(C)(C)OC 34a_100000210227_100000701081 [0,2,0,0,0,0|1,0,0]=3 13729 B10R0.62 CCCCOCC(F)(F)CN 34a_100000703232_100000210210 [0,2,0,0,0,0|2,0,0]=4 13730 B10R0.62 CCCCSCC(C)(C)CO 62a_100000210211_100009813988 [0,2,0,0,0,0|1,0,0]=3 13731 B10R0.62 CCCCSCC(C)(C)CO 62a_100009813988_100000210210 [0,2,0,0,0,0|1,0,0]=3 13732 B10R0.62 CCCCSCC(C)(C)OC 62a_100000210211_100000701081 [0,2,0,0,0,0|1,0,0]=3 13733 B10R0.62 CCCCSCC(C)(C)OC 62a_100000701081_100000210210 [0,2,0,0,0,0|1,0,0]=3 13734 B10R0.62 CCCOCCC(C)(C)OC 7a_100000699976_100000210303 [0,2,0,0,0,0|1,0,0]=3 13735 B10R0.62 CCNCCCC(C)(C)C#N 2230a_100015525214_100000759902 [0,2,0,0,0,0|2,0,0]=4 13736 B10R0.62 CCNCCCC(C)(C)CO 2230a_100000039164_100000210202 [0,2,0,0,0,0|1,0,0]=3 13737 B10R0.62 CCOCCCC(C)(C)C#N 34a_100121572206_100000759902 [0,2,0,0,0,0|2,0,0]=4 13738 B10R0.62 CCOCCNC(C)(C)CO 2230a_100000210608_100011215890 [0,2,0,0,0,0|2,0,0]=4 13739 B10R0.62 CCOCSCC(C)(C)CO 62a_100000739092_100009813988 [0,2,0,0,0,0|2,0,0]=4 13740 B10R0.62 CCOCSCC(C)(C)CO 62a_100009813988_100000739092 [0,2,0,0,0,0|2,0,0]=4 13741 B10R0.62 CCOCSCC(C)(C)OC 62a_100000701081_100000739092 [0,2,0,0,0,0|2,0,0]=4 13742 B10R0.62 CCOCSCC(C)(C)OC 62a_100000739092_100000701081 [0,2,0,0,0,0|2,0,0]=4 13743 B10R0.62 CCSCCCC(C)(C)C#N 62a_100000210202_100000759902 [0,2,0,0,0,0|2,0,0]=4 13744 B10R0.62 CCSCCCC(C)(C)C#N 62a_100000759902_100000210202 [0,2,0,0,0,0|2,0,0]=4 13745 B10R0.62 CCSCCNC(C)(C)CO 2230a_100000210608_100000757381 [0,2,0,0,0,0|2,0,0]=4 13746 B10R0.62 COC(C)(C)CCCCCBr 7a_100010402123_200000210301 [0,2,0,0,0,0|1,0,0]=3 13747 B10R0.62 COC(C)(C)CCOCCF 7a_100000699976_100011217306 [0,2,0,0,0,0|2,0,0]=4 13748 B10R0.62 COC(C)(C)CCOCCO 7a_100000699976_100000211926 [0,2,0,0,0,0|2,0,0]=4 13749 B10R0.62 COC(C)(C)CNCCCF 2230a_100000763424_100011934791 [0,2,0,0,0,0|2,0,0]=4 13750 B10R0.62 COC(C)(C)CNCCCF 34a_100015189416_100000701081 [0,2,0,0,0,0|2,0,0]=4 13751 B10R0.62 COC(C)(C)CNCCCO 2230a_100000763424_100000230001 [0,2,0,0,0,0|2,0,0]=4 13752 B10R0.62 COC(C)(C)CNCCSC 2230a_100000763424_100000751147 [0,2,0,0,0,0|2,0,0]=4 13753 B10R0.62 COC(C)(C)COCCCBr 34a_100011217188_100000701081 [0,2,0,0,0,0|2,0,0]=4 13754 B10R0.62 COC(C)(C)COCCCCl 34a_100000230001_100000701081 [0,2,0,0,0,0|2,0,0]=4 13755 B10R0.62 COC(C)(C)COCCCF 34a_100000759539_100000701081 [0,2,0,0,0,0|2,0,0]=4 13756 B10R0.62 COC(C)(C)COCCCN 34a_100000182051_100000701081 [0,2,0,0,0,0|2,0,0]=4 13757 B10R0.62 COC(C)(C)COCCSC 34a_100000230434_100000701081 [0,2,0,0,0,0|2,0,0]=4 13758 B10R0.62 COC(C)(C)CSCCCF 62a_100000701081_100011934791 [0,2,0,0,0,0|2,0,0]=4 13759 B10R0.62 COC(C)(C)CSCCCF 62a_100011934791_100000701081 [0,2,0,0,0,0|2,0,0]=4 13760 B10R0.62 COC(C)(C)CSCCCO 62a_100000701081_100011215043 [0,2,0,0,0,0|2,0,0]=4 13761 B10R0.62 COC(C)(C)CSCCCO 62a_100011215043_100000701081 [0,2,0,0,0,0|2,0,0]=4 13762 B10R0.62 COC(C)(C)CSCCSC 62a_100000212216_100000701081 [0,2,0,0,0,0|2,0,0]=4 13763 B10R0.62 COC(C)(C)CSCCSC 62a_100000701081_100000751147 [0,2,0,0,0,0|2,0,0]=4 13764 B10R0.62 COCCCNC(C)(C)CO 2230a_100000210608_100000740836 [0,2,0,0,0,0|2,0,0]=4 13765 B10R0.62 COCCNCC(C)(C)CO 2230a_100020635058_100011201679 [0,2,0,0,0,0|2,0,0]=4 13766 B10R0.62 COCCNCC(C)(C)OC 2230a_100000763424_100011201679 [0,2,0,0,0,0|2,0,0]=4 13767 B10R0.62 COCCOCC(C)(C)CO 34a_100000210237_100009813988 [0,2,0,0,0,0|2,0,0]=4 13768 B10R0.62 COCCOCC(C)(C)OC 34a_100000210237_100000701081 [0,2,0,0,0,0|2,0,0]=4 13769 B10R0.62 COCCOCC(C)(C)OC 7a_100000067319_200000210301 [0,2,0,0,0,0|2,0,0]=4 13770 B10R0.62 COCCOCC(C)(C)O[13CH3] 7a_100000067319_200025704644 [0,2,0,0,0,0|2,0,0]=4 13771 B10R0.62 COCCSCC(C)(C)CO 62a_100000233755_100009813988 [0,2,0,0,0,0|2,0,0]=4 13772 B10R0.62 COCCSCC(C)(C)CO 62a_100009813988_100000233755 [0,2,0,0,0,0|2,0,0]=4 13773 B10R0.62 COCCSCC(C)(C)OC 62a_100000233755_100000701081 [0,2,0,0,0,0|2,0,0]=4 13774 B10R0.62 COCCSCC(C)(C)OC 62a_100000701081_100000233755 [0,2,0,0,0,0|2,0,0]=4 13775 B10R0.62 CSCCNCC(C)(C)CO 2230a_100020635058_100000751147 [0,2,0,0,0,0|2,0,0]=4 13776 B10R0.62 CSCCOCC(C)(C)CO 34a_100000230434_100009813988 [0,2,0,0,0,0|2,0,0]=4 13777 B10R0.62 CSCCOCC(C)(C)CO 7a_100000230434_100009813988 [0,2,0,0,0,0|2,0,0]=4 13778 B10R0.62 CSCCSCC(C)(C)CO 62a_100000212216_100009813988 [0,2,0,0,0,0|2,0,0]=4 13779 B10R0.62 CSCCSCC(C)(C)CO 62a_100009813988_100000751147 [0,2,0,0,0,0|2,0,0]=4 13780 B10R0.109 CC(CCBr)OCC(C)(C)O 34a_100012276601_100000764493 [0,2,0,0,0,0|2,0,0]=4 13781 B10R0.109 CC(CCO)NCC(C)(C)O 2230a_100000751335_100009893172 [0,2,0,0,0,0|2,0,0]=4 13782 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100000764493_100009893172 [0,2,0,0,0,0|2,0,0]=4 13783 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100009893172_100000764493 [0,2,0,0,0,0|2,0,0]=4 13784 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,2,0,0,0,0|1,0,1]=4 13785 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,2,0,0,0,0|1,0,1]=4 13786 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,2,0,0,0,0|1,0,1]=4 13787 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [0,2,0,0,0,0|1,0,1]=4 13788 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [0,2,0,0,0,0|1,0,1]=4 13789 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [0,2,0,0,0,0|1,0,1]=4 13790 B10R0.109 CCCC(C)CNC(C)(C)C 2230a_100000715429_100011216630 [0,2,0,0,0,0|2,0,0]=4 13791 B10R0.109 CCCC(C)COC(C)(C)C 34a_100000688023_100000210625 [0,2,0,0,0,0|2,0,0]=4 13792 B10R0.109 CCCC(C)COC(C)(C)C 34a_100015890283_100011216630 [0,2,0,0,0,0|2,0,0]=4 13793 B10R0.109 CCCC(C)COC(C)(C)C 7a_100015890283_100011216630 [0,2,0,0,0,0|2,0,0]=4 13794 B10R0.109 CCCC(C)CSC(C)(C)C 62a_100000211941_100011216630 [0,2,0,0,0,0|2,0,0]=4 13795 B10R0.109 CCCC(C)CSC(C)(C)C 62a_100011216630_100000211941 [0,2,0,0,0,0|2,0,0]=4 13796 B10R0.109 CCCC(C)NCC(C)(C)C 2230a_100000743828_100000766640 [0,2,0,0,0,0|2,0,0]=4 13797 B10R0.109 CCCC(C)NCC(C)(C)C 270004a_100000741246_100011204126 [0,2,0,0,0,0|2,0,0]=4 13798 B10R0.109 CCCC(C)NCC(C)(C)C 270004a_100000743828_100000211909 [0,2,0,0,0,0|2,0,0]=4 13799 B10R0.109 CCCC(C)NCC(C)(C)F 2230a_100020643315_100000766640 [0,2,0,0,0,0|2,0,0]=4 13800 B10R0.109 CCCC(C)NCC(C)(C)F 270004a_100020643315_100000211909 [0,2,0,0,0,0|2,0,0]=4 13801 B10R0.109 CCCC(C)NCC(C)(C)O 2230a_100000751335_100000766640 [0,2,0,0,0,0|1,0,0]=3 13802 B10R0.109 CCCC(C)NCC(C)(C)O 270004a_100000751335_100000211909 [0,2,0,0,0,0|1,0,0]=3 13803 B10R0.109 CCCC(C)NCC(C)(F)F 270004a_100000731000_100000211909 [0,2,0,0,0,0|2,0,0]=4 13804 B10R0.109 CCCC(C)OCC(C)(C)C 34a_100000764384_100011219605 [0,2,0,0,0,0|2,0,0]=4 13805 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000716592_100000766640 [0,2,0,0,0,0|2,0,0]=4 13806 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000764384_100011997219 [0,2,0,0,0,0|2,0,0]=4 13807 B10R0.109 CCCC(C)OCC(C)(C)O 34a_100000764384_100000764493 [0,2,0,0,0,0|1,0,0]=3 13808 B10R0.109 CCCC(C)OCC(C)(C)O 7a_100000764384_100000764493 [0,2,0,0,0,0|1,0,0]=3 13809 B10R0.109 CCCC(C)OCC(C)(F)F 34a_100000068830_100000766640 [0,2,0,0,0,0|2,0,0]=4 13810 B10R0.109 CCCC(C)SCC(C)(C)C 62a_100000766640_100011219605 [0,2,0,0,0,0|2,0,0]=4 13811 B10R0.109 CCCC(C)SCC(C)(C)C 62a_100011219605_100000766640 [0,2,0,0,0,0|2,0,0]=4 13812 B10R0.109 CCCC(C)SCC(C)(C)F 62a_100000766640_100011997219 [0,2,0,0,0,0|2,0,0]=4 13813 B10R0.109 CCCC(C)SCC(C)(C)F 62a_100011997219_100000766640 [0,2,0,0,0,0|2,0,0]=4 13814 B10R0.109 CCCC(C)SCC(C)(C)O 62a_100000764493_100000766640 [0,2,0,0,0,0|1,0,0]=3 13815 B10R0.109 CCCC(C)SCC(C)(C)O 62a_100000766640_100000764493 [0,2,0,0,0,0|1,0,0]=3 13816 B10R0.109 CCCN(C)CCC(C)(C)C 2230a_100000747261_100000755188 [0,2,0,0,0,0|2,0,0]=4 13817 B10R0.109 CCCN(C)CCC(C)(C)C 269982a_100000747261_100000755188 [0,2,0,0,0,0|2,0,0]=4 13818 B10R0.109 CCCN(C)CCC(C)(C)O 2230a_100000747261_100000702414 [0,2,0,0,0,0|1,0,0]=3 13819 B10R0.109 CCC[C@H](N)COC(C)(C)C 34a_100000732646_100000210625 [0,2,0,0,0,0|2,0,0]=4 13820 B10R0.109 CN(CCO)CCC(C)(C)O 2230a_100000210263_100000702414 [0,2,0,0,0,0|2,0,0]=4 13821 B10R0.109 COCC(C)NCC(C)(C)O 2230a_100000751335_100000765312 [0,2,0,0,0,0|2,0,0]=4 13822 B10R0.109 COCC(C)NCC(C)(C)O 270004a_100000751335_100000749346 [0,2,0,0,0,0|2,0,0]=4 13823 B10R0.109 COCC(C)SCC(C)(C)O 62a_100000764493_100000765312 [0,2,0,0,0,0|2,0,0]=4 13824 B10R0.109 COCC(C)SCC(C)(C)O 62a_100000765312_100000764493 [0,2,0,0,0,0|2,0,0]=4 13825 B10R0.109 COC[C@@H](C)OCC(C)(C)O 34a_100011934205_100000764493 [0,2,0,0,0,0|2,0,0]=4 13826 B10R0.109 CSCC(C)NCC(C)(C)O 270004a_100000751335_100011216314 [0,2,0,0,0,0|2,0,0]=4 13827 B10R0.109 C[C@H](CCO)NCC(C)(C)O 34a_100000706166_100000764493 [0,2,0,0,0,0|2,0,0]=4 13828 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|0,0,2]=4 13829 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|0,0,2]=4 13830 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,2,0,0,0,0|2,0,0]=4 13831 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,2,0,0,0,0|2,0,0]=4 13832 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,2,0,0,0,0|2,0,0]=4 13833 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,2,0,0,0,0|2,0,0]=4 13834 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,2,0,0,0,0|2,0,0]=4 13835 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,2,0,0,0,0|2,0,0]=4 13836 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|0,0,2]=4 13837 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|0,0,2]=4 13838 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,2,0,0,0,0|2,0,0]=4 13839 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,2,0,0,0,0|2,0,0]=4 13840 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,2,0,0,0,0|2,0,0]=4 13841 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 13842 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,2,0,0,0,0|2,0,0]=4 13843 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,2,0,0,0,0|2,0,0]=4 13844 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,2,0,0,0,0|2,0,0]=4 13845 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,2,0,0,0,0|2,0,0]=4 13846 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,2,0,0,0,0|2,0,0]=4 13847 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|0,0,2]=4 13848 B10R0.1 CC#CC(C)OCCCCC 34a_100011216543_100000718602 [0,2,0,0,0,0|2,0,0]=4 13849 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,2,0,0,0,0|2,0,0]=4 13850 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,2,0,0,0,0|2,0,0]=4 13851 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,2,0,0,0,0|2,0,0]=4 13852 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,2,0,0,0,0|2,0,0]=4 13853 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,2,0,0,0,0|2,0,0]=4 13854 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,2,0,0,0,0|2,0,0]=4 13855 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,2,0,0,0,0|2,0,0]=4 13856 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,2,0,0,0,0|2,0,0]=4 13857 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,2,0,0,0,0|2,0,0]=4 13858 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,2,0,0,0,0|2,0,0]=4 13859 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,2,0,0,0,0|2,0,0]=4 13860 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,2,0,0,0,0|2,0,0]=4 13861 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,2,0,0,0,0|2,0,0]=4 13862 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|0,0,2]=4 13863 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,2,0,0,0,0|2,0,0]=4 13864 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,2,0,0,0,0|2,0,0]=4 13865 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|0,0,2]=4 13866 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|0,0,2]=4 13867 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|0,0,2]=4 13868 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|0,0,2]=4 13869 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|0,0,2]=4 13870 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,2]=4 13871 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,2]=4 13872 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,2]=4 13873 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,0,2]=4 13874 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 13875 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 13876 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|0,0,2]=4 13877 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|0,0,2]=4 13878 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,2,0,0,0,0|1,0,0]=3 13879 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,2,0,0,0,0|1,0,0]=3 13880 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,2,0,0,0,0|1,0,0]=3 13881 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,2,0,0,0,0|1,0,0]=3 13882 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,2,0,0,0,0|1,0,0]=3 13883 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|0,0,0]=2 13884 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|0,0,0]=2 13885 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|0,0,0]=2 13886 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|0,0,0]=2 13887 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|0,0,0]=2 13888 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,2,0,0,0,0|0,1,0]=3 13889 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,2,0,0,0,0|0,1,0]=3 13890 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,2,0,0,0,0|0,1,0]=3 13891 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,2,0,0,0,0|0,1,0]=3 13892 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,2,0,0,0,0|2,0,0]=4 13893 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,2,0,0,0,0|2,0,0]=4 13894 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,2,0,0,0,0|2,0,0]=4 13895 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,2,0,0,0,0|1,0,1]=4 13896 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,2,0,0,0,0|1,0,1]=4 13897 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,2,0,0,0,0|2,0,0]=4 13898 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 13899 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,2,0,0,0,0|2,0,0]=4 13900 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,2,0,0,0,0|2,0,0]=4 13901 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 13902 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,2,0,0,0,0|2,0,0]=4 13903 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|1,0,0]=3 13904 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|1,0,0]=3 13905 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|1,0,0]=3 13906 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|1,0,0]=3 13907 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|1,0,0]=3 13908 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|1,0,0]=3 13909 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,2,0,0,0,0|1,1,0]=4 13910 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,2,0,0,0,0|1,1,0]=4 13911 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,2,0,0,0,0|2,0,0]=4 13912 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,2,0,0,0,0|2,0,0]=4 13913 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,2,0,0,0,0|2,0,0]=4 13914 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,2,0,0,0,0|2,0,0]=4 13915 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,2,0,0,0,0|1,0,0]=3 13916 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|1,0,0]=3 13917 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|1,0,0]=3 13918 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,2,0,0,0,0|1,1,0]=4 13919 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,2,0,0,0,0|2,0,0]=4 13920 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,2,0,0,0,0|1,0,0]=3 13921 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,2,0,0,0,0|1,0,0]=3 13922 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|1,0,0]=3 13923 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,2,0,0,0,0|2,0,0]=4 13924 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,2,0,0,0,0|2,0,0]=4 13925 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,2,0,0,0,0|2,0,0]=4 13926 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,2,0,0,0,0|2,0,0]=4 13927 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,2,0,0,0,0|2,0,0]=4 13928 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,2,0,0,0,0|2,0,0]=4 13929 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,2,0,0,0,0|1,0,0]=3 13930 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,2,0,0,0,0|1,0,0]=3 13931 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 13932 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,0]=3 13933 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,0]=3 13934 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,2,0,0,0,0|2,0,0]=4 13935 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,2,0,0,0,0|2,0,0]=4 13936 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,2,0,0,0,0|2,0,0]=4 13937 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,2,0,0,0,0|2,0,0]=4 13938 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,2,0,0,0,0|1,0,0]=3 13939 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,2,0,0,0,0|1,0,0]=3 13940 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,0,0]=3 13941 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,0,0]=3 13942 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,2,0,0,0,0|2,0,0]=4 13943 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,2,0,0,0,0|2,0,0]=4 13944 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,2,0,0,0,0|2,0,0]=4 13945 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|1,0,0]=3 13946 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|1,0,0]=3 13947 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|1,0,0]=3 13948 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,2,0,0,0,0|1,0,0]=3 13949 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,2,0,0,0,0|1,0,0]=3 13950 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,2,0,0,0,0|2,0,0]=4 13951 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,2,0,0,0,0|2,0,0]=4 13952 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,2,0,0,0,0|2,0,0]=4 13953 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,2,0,0,0,0|2,0,0]=4 13954 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,2,0,0,0,0|2,0,0]=4 13955 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|1,0,0]=3 13956 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|1,0,0]=3 13957 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,2,0,0,0,0|1,0,0]=3 13958 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,2,0,0,0,0|1,0,0]=3 13959 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|2,0,0]=4 13960 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|1,0,0]=3 13961 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|1,0,0]=3 13962 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,2,0,0,0,0|2,0,0]=4 13963 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,2,0,0,0,0|2,0,0]=4 13964 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,2,0,0,0,0|2,0,0]=4 13965 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,2,0,0,0,0|1,0,0]=3 13966 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,2,0,0,0,0|2,0,0]=4 13967 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,2,0,0,0,0|2,0,0]=4 13968 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|1,0,0]=3 13969 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|1,0,0]=3 13970 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,2,0,0,0,0|1,0,0]=3 13971 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,2,0,0,0,0|1,0,0]=3 13972 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,2,0,0,0,0|2,0,0]=4 13973 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,2,0,0,0,0|2,0,0]=4 13974 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,2,0,0,0,0|2,0,0]=4 13975 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,2,0,0,0,0|2,0,0]=4 13976 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,2,0,0,0,0|2,0,0]=4 13977 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,2,0,0,0,0|2,0,0]=4 13978 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,2,0,0,0,0|2,0,0]=4 13979 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,2,0,0,0,0|2,0,0]=4 13980 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,2,0,0,0,0|2,0,0]=4 13981 B10R0.1 CCOCCNC(C)COC 2230a_102516460346_100000765312 [0,2,0,0,0,0|2,0,0]=4 13982 B10R0.1 CCOCCNC(C)COC 270004a_102516460346_100000749346 [0,2,0,0,0,0|2,0,0]=4 13983 B10R0.1 CCOCCNC(C)COC 34a_102516460346_100000765312 [0,2,0,0,0,0|2,0,0]=4 13984 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,2,0,0,0,0|2,0,0]=4 13985 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,2,0,0,0,0|2,0,0]=4 13986 B10R0.1 CCOCCN[C@H](C)COC 2230a_100000764878_100011215890 [0,2,0,0,0,0|2,0,0]=4 13987 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,2,0,0,0,0|2,0,0]=4 13988 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,2,0,0,0,0|2,0,0]=4 13989 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,2,0,0,0,0|2,0,0]=4 13990 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,2,0,0,0,0|2,0,0]=4 13991 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,2,0,0,0,0|2,0,0]=4 13992 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,2,0,0,0,0|2,0,0]=4 13993 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,2,0,0,0,0|2,0,0]=4 13994 B10R0.1 CCOCCSC(C)COC 62a_100000210147_100000765312 [0,2,0,0,0,0|2,0,0]=4 13995 B10R0.1 CCOCCSC(C)COC 62a_100000765312_100011215890 [0,2,0,0,0,0|2,0,0]=4 13996 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [0,2,0,0,0,0|2,0,0]=4 13997 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [0,2,0,0,0,0|2,0,0]=4 13998 B10R0.1 CCOCSC[C@@H](O)CC#N 62a_100000001066_100000739092 [0,2,0,0,0,0|2,0,0]=4 13999 B10R0.1 CCOCSC[C@@H](O)CC#N 62a_100000739092_100000001066 [0,2,0,0,0,0|2,0,0]=4 14000 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,2,0,0,0,0|2,0,0]=4 14001 B10R0.1 CCSCCNC(C)COC 2230a_100000106463_100000765312 [0,2,0,0,0,0|2,0,0]=4 14002 B10R0.1 CCSCCNC(C)COC 270004a_100000106463_100000749346 [0,2,0,0,0,0|2,0,0]=4 14003 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,2,0,0,0,0|2,0,0]=4 14004 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,2,0,0,0,0|2,0,0]=4 14005 B10R0.1 CCSCCN[C@H](C)COC 2230a_100000764878_100000757381 [0,2,0,0,0,0|2,0,0]=4 14006 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,2,0,0,0,0|2,0,0]=4 14007 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,2,0,0,0,0|2,0,0]=4 14008 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,2,0,0,0,0|2,0,0]=4 14009 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,2,0,0,0,0|2,0,0]=4 14010 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,2,0,0,0,0|2,0,0]=4 14011 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,2,0,0,0,0|2,0,0]=4 14012 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,2,0,0,0,0|2,0,0]=4 14013 B10R0.1 CCSCCSC(C)COC 62a_100000757381_100000765312 [0,2,0,0,0,0|2,0,0]=4 14014 B10R0.1 CCSCCSC(C)COC 62a_100000765312_100000757381 [0,2,0,0,0,0|2,0,0]=4 14015 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,2,0,0,0,0|2,0,0]=4 14016 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,2,0,0,0,0|2,0,0]=4 14017 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,2,0,0,0,0|2,0,0]=4 14018 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 14019 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,2,0,0,0,0|2,0,0]=4 14020 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,2,0,0,0,0|2,0,0]=4 14021 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,2,0,0,0,0|2,0,0]=4 14022 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,2,0,0,0,0|2,0,0]=4 14023 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 14024 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,2,0,0,0,0|2,0,0]=4 14025 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 14026 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,2,0,0,0,0|2,0,0]=4 14027 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,2,0,0,0,0|2,0,0]=4 14028 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,2,0,0,0,0|2,0,0]=4 14029 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 14030 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 14031 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,2,0,0,0,0|2,0,0]=4 14032 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,2,0,0,0,0|2,0,0]=4 14033 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,2,0,0,0,0|2,0,0]=4 14034 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,2,0,0,0,0|2,0,0]=4 14035 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,2,0,0,0,0|2,0,0]=4 14036 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,2,0,0,0,0|2,0,0]=4 14037 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,2,0,0,0,0|2,0,0]=4 14038 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,2,0,0,0,0|2,0,0]=4 14039 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,2,0,0,0,0|2,0,0]=4 14040 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,2,0,0,0,0|2,0,0]=4 14041 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,2,0,0,0,0|2,0,0]=4 14042 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,2,0,0,0,0|2,0,0]=4 14043 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,2,0,0,0,0|2,0,0]=4 14044 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,2,0,0,0,0|2,0,0]=4 14045 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,2,0,0,0,0|2,0,0]=4 14046 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,2,0,0,0,0|2,0,0]=4 14047 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,2,0,0,0,0|2,0,0]=4 14048 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,2,0,0,0,0|2,0,0]=4 14049 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,2,0,0,0,0|2,0,0]=4 14050 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,2,0,0,0,0|2,0,0]=4 14051 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,2,0,0,0,0|2,0,0]=4 14052 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,2,0,0,0,0|2,0,0]=4 14053 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,2,0,0,0,0|2,0,0]=4 14054 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,2,0,0,0,0|2,0,0]=4 14055 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,2,0,0,0,0|2,0,0]=4 14056 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,2,0,0,0,0|2,0,0]=4 14057 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,2,0,0,0,0|2,0,0]=4 14058 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,2,0,0,0,0|2,0,0]=4 14059 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,2,0,0,0,0|2,0,0]=4 14060 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,2,0,0,0,0|2,0,0]=4 14061 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,2,0,0,0,0|2,0,0]=4 14062 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,2,0,0,0,0|2,0,0]=4 14063 B10R0.1 COCCCNC(C)COC 270004a_100150723488_100000749346 [0,2,0,0,0,0|2,0,0]=4 14064 B10R0.1 COCCCNC(C)COC 34a_100150723488_100000765312 [0,2,0,0,0,0|2,0,0]=4 14065 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,2,0,0,0,0|2,0,0]=4 14066 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,2,0,0,0,0|2,0,0]=4 14067 B10R0.1 COCCCN[C@H](C)COC 2230a_100000764878_100000740836 [0,2,0,0,0,0|2,0,0]=4 14068 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,2,0,0,0,0|2,0,0]=4 14069 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,2,0,0,0,0|2,0,0]=4 14070 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,2,0,0,0,0|2,0,0]=4 14071 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,2,0,0,0,0|2,0,0]=4 14072 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,2,0,0,0,0|2,0,0]=4 14073 B10R0.1 COCCCSC(C)COC 62a_100000709357_100000765312 [0,2,0,0,0,0|2,0,0]=4 14074 B10R0.1 COCCCSC(C)COC 62a_100000765312_100000709357 [0,2,0,0,0,0|2,0,0]=4 14075 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,2,0,0,0,0|2,0,0]=4 14076 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,2,0,0,0,0|2,0,0]=4 14077 B10R0.1 COCCNC[C@@H](O)CC#N 2230a_100000209980_100000001066 [0,2,0,0,0,0|2,0,0]=4 14078 B10R0.1 COCCOCC(O)COC 34a_100000210237_100011215053 [0,2,0,0,0,0|2,0,0]=4 14079 B10R0.1 COCCSCC(O)COC 62a_100000233755_100011215053 [0,2,0,0,0,0|2,0,0]=4 14080 B10R0.1 COCCSCC(O)COC 62a_100011215053_100000233755 [0,2,0,0,0,0|2,0,0]=4 14081 B10R0.1 COCCSC[C@@H](O)CC#N 62a_100000001066_100000233755 [0,2,0,0,0,0|2,0,0]=4 14082 B10R0.1 COCCSC[C@@H](O)CC#N 62a_100000233755_100000001066 [0,2,0,0,0,0|2,0,0]=4 14083 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 14084 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 14085 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,2,0,0,0,0|2,0,0]=4 14086 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,2,0,0,0,0|2,0,0]=4 14087 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,2,0,0,0,0|2,0,0]=4 14088 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,2,0,0,0,0|2,0,0]=4 14089 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,2,0,0,0,0|2,0,0]=4 14090 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,2,0,0,0,0|2,0,0]=4 14091 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,2,0,0,0,0|2,0,0]=4 14092 B10R0.1 CSCCNC[C@@H](O)CC#N 2230a_100020590264_100000001066 [0,2,0,0,0,0|2,0,0]=4 14093 B10R0.1 CSCCOC[C@@H](O)CC#N 7a_100000230434_100000001066 [0,2,0,0,0,0|2,0,0]=4 14094 B10R0.1 CSCCSC[C@@H](O)CC#N 62a_100000001066_100000751147 [0,2,0,0,0,0|2,0,0]=4 14095 B10R0.1 CSCCSC[C@@H](O)CC#N 62a_100000212216_100000001066 [0,2,0,0,0,0|2,0,0]=4 14096 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,2,0,0,0,0|2,0,0]=4 14097 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,2,0,0,0,0|2,0,0]=4 14098 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,2,0,0,0,0|2,0,0]=4 14099 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|2,0,0]=4 14100 B10R0.1 N#CC[C@H](O)CNCCCF 2230a_100015189416_100000001066 [0,2,0,0,0,0|2,0,0]=4 14101 B10R0.1 N#CC[C@H](O)CSCCCF 62a_100000001066_100011934791 [0,2,0,0,0,0|2,0,0]=4 14102 B10R0.1 N#CC[C@H](O)CSCCCF 62a_100011934791_100000001066 [0,2,0,0,0,0|2,0,0]=4 14103 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100000001066_100011215043 [0,2,0,0,0,0|2,0,0]=4 14104 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100011215043_100000001066 [0,2,0,0,0,0|2,0,0]=4 14105 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,2,0,0,0,0|2,0,0]=4 14106 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,2,0,0,0,0|2,0,0]=4 14107 B10R0.41 C#CC(CCCCCBr)OC 34a_200010408556_200000210301 [0,2,0,0,0,0|1,0,1]=4 14108 B10R0.41 C#CC(CCCCCBr)OC 7a_200010408556_200000210301 [0,2,0,0,0,0|1,0,1]=4 14109 B10R0.41 C#CC(CCCCCBr)O[13CH3] 34a_200010408556_200025704644 [0,2,0,0,0,0|1,0,1]=4 14110 B10R0.41 C#CC(CCCCCBr)O[13CH3] 7a_200010408556_200025704644 [0,2,0,0,0,0|1,0,1]=4 14111 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,2,0,0,0,0|2,0,0]=4 14112 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,2,0,0,0,0|2,0,0]=4 14113 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|0,0,1]=3 14114 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|0,0,1]=3 14115 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|0,0,1]=3 14116 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|0,0,1]=3 14117 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|1,0,1]=4 14118 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,1]=4 14119 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [0,2,0,0,0,0|2,0,0]=4 14120 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [0,2,0,0,0,0|2,0,0]=4 14121 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [0,2,0,0,0,0|2,0,0]=4 14122 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [0,2,0,0,0,0|2,0,0]=4 14123 B10R0.41 CCC(COCCOC)OC 34a_100011934954_100011201679 [0,2,0,0,0,0|2,0,0]=4 14124 B10R0.41 CCC(COCCOC)OC 7a_100011934954_100000233755 [0,2,0,0,0,0|2,0,0]=4 14125 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [0,2,0,0,0,0|2,0,0]=4 14126 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [0,2,0,0,0,0|2,0,0]=4 14127 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,2,0,0,0,0|1,0,0]=3 14128 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|0,0,0]=2 14129 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|0,0,0]=2 14130 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|0,0,0]=2 14131 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|0,0,0]=2 14132 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,2,0,0,0,0|2,0,0]=4 14133 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,2,0,0,0,0|2,0,0]=4 14134 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,2,0,0,0,0|2,0,0]=4 14135 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [0,2,0,0,0,0|2,0,0]=4 14136 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [0,2,0,0,0,0|2,0,0]=4 14137 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [0,2,0,0,0,0|1,0,0]=3 14138 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,2,0,0,0,0|1,0,0]=3 14139 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,2,0,0,0,0|2,0,0]=4 14140 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,2,0,0,0,0|2,0,0]=4 14141 B10R0.41 CCCCCOC(CCl)CCl 7a_100000737055_100000210326 [0,2,0,0,0,0|2,0,0]=4 14142 B10R0.41 CCCCCOC(CF)CF 34a_100000032261_100000718602 [0,2,0,0,0,0|2,0,0]=4 14143 B10R0.41 CCCCCOC(CF)CF 7a_100000032261_100000210326 [0,2,0,0,0,0|2,0,0]=4 14144 B10R0.41 CCCCCOC(CN)CN 34a_100000031598_100000718602 [0,2,0,0,0,0|2,0,0]=4 14145 B10R0.41 CCCCCO[C@@H](CF)CCl 34a_100015614560_100000718602 [0,2,0,0,0,0|2,0,0]=4 14146 B10R0.41 CCCCCO[C@@H](CF)CCl 7a_100015614560_100000210326 [0,2,0,0,0,0|2,0,0]=4 14147 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [0,2,0,0,0,0|2,0,0]=4 14148 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [0,2,0,0,0,0|2,0,0]=4 14149 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [0,2,0,0,0,0|2,0,0]=4 14150 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [0,2,0,0,0,0|2,0,0]=4 14151 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [0,2,0,0,0,0|2,0,0]=4 14152 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [0,2,0,0,0,0|2,0,0]=4 14153 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [0,2,0,0,0,0|2,0,0]=4 14154 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [0,2,0,0,0,0|1,0,0]=3 14155 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [0,2,0,0,0,0|1,0,0]=3 14156 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [0,2,0,0,0,0|1,0,0]=3 14157 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,2,0,0,0,0|2,0,0]=4 14158 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,2,0,0,0,0|2,0,0]=4 14159 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,2,0,0,0,0|2,0,0]=4 14160 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|1,0,0]=3 14161 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|1,0,0]=3 14162 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [0,2,0,0,0,0|1,0,0]=3 14163 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [0,2,0,0,0,0|1,0,0]=3 14164 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [0,2,0,0,0,0|1,0,0]=3 14165 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [0,2,0,0,0,0|2,0,0]=4 14166 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [0,2,0,0,0,0|2,0,0]=4 14167 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [0,2,0,0,0,0|1,0,0]=3 14168 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [0,2,0,0,0,0|1,0,0]=3 14169 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [0,2,0,0,0,0|1,0,0]=3 14170 B10R0.41 CCCSCCC(OC)OC 62a_100000139399_100000210303 [0,2,0,0,0,0|1,0,0]=3 14171 B10R0.41 CCCSCCC(OC)OC 62a_100000210303_100000139399 [0,2,0,0,0,0|1,0,0]=3 14172 B10R0.41 CCNCCCC(OC)OC 2230a_100015525214_100000069011 [0,2,0,0,0,0|1,0,0]=3 14173 B10R0.41 CCOCCCC(OC)OC 34a_100121572206_100000069011 [0,2,0,0,0,0|1,0,0]=3 14174 B10R0.41 CCOCCNC(CO)CO 2230a_100000759517_100011215890 [0,2,0,0,0,0|2,0,0]=4 14175 B10R0.41 CCOCCN[C@@H](CC)CO 2230a_100000709445_100011215890 [0,2,0,0,0,0|2,0,0]=4 14176 B10R0.41 CCOCSCC(OC)OC 62a_100000739092_100000751394 [0,2,0,0,0,0|2,0,0]=4 14177 B10R0.41 CCOCSCC(OC)OC 62a_100000751394_100000739092 [0,2,0,0,0,0|2,0,0]=4 14178 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [0,2,0,0,0,0|1,0,0]=3 14179 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [0,2,0,0,0,0|1,0,0]=3 14180 B10R0.41 CCSCCNC(CO)CO 2230a_100000759517_100000757381 [0,2,0,0,0,0|2,0,0]=4 14181 B10R0.41 CCSCCN[C@@H](CC)CO 2230a_100000709445_100000757381 [0,2,0,0,0,0|2,0,0]=4 14182 B10R0.41 CC[C@@H](CO)NCCCCF 2230a_100000709445_100000729493 [0,2,0,0,0,0|2,0,0]=4 14183 B10R0.41 CC[C@@H](CO)NCCCCO 2230a_100000709445_100000210776 [0,2,0,0,0,0|2,0,0]=4 14184 B10R0.41 CC[C@@H](CO)NCCCOC 2230a_100000709445_100000740836 [0,2,0,0,0,0|2,0,0]=4 14185 B10R0.41 COC(CCCSCF)OC 62a_100000069011_100015361967 [0,2,0,0,0,0|2,0,0]=4 14186 B10R0.41 COC(CCCSCF)OC 62a_100015361967_100000069011 [0,2,0,0,0,0|2,0,0]=4 14187 B10R0.41 COC(CCNCCF)OC 34a_100000724931_100000139399 [0,2,0,0,0,0|2,0,0]=4 14188 B10R0.41 COC(CCNCCO)OC 2230a_100016997473_100009813347 [0,2,0,0,0,0|2,0,0]=4 14189 B10R0.41 COC(CCNCCO)OC 34a_100016990907_100000139399 [0,2,0,0,0,0|2,0,0]=4 14190 B10R0.41 COC(CCOCCBr)OC 34a_100000211926_100000139399 [0,2,0,0,0,0|2,0,0]=4 14191 B10R0.41 COC(CCOCCN)OC 34a_100000210304_100000139399 [0,2,0,0,0,0|2,0,0]=4 14192 B10R0.41 COC(CCSCCF)OC 62a_100000139399_100011217306 [0,2,0,0,0,0|2,0,0]=4 14193 B10R0.41 COC(CCSCCF)OC 62a_100011217306_100000139399 [0,2,0,0,0,0|2,0,0]=4 14194 B10R0.41 COC(CCSCCO)OC 62a_100000139399_100000211926 [0,2,0,0,0,0|2,0,0]=4 14195 B10R0.41 COC(CCSCCO)OC 62a_100000211926_100000139399 [0,2,0,0,0,0|2,0,0]=4 14196 B10R0.41 COC(CCSCSC)OC 62a_100000139399_100011218213 [0,2,0,0,0,0|2,0,0]=4 14197 B10R0.41 COC(CCSCSC)OC 62a_100011218213_100000139399 [0,2,0,0,0,0|2,0,0]=4 14198 B10R0.41 COC(CNCCCF)OC 2230a_100015189416_100000751394 [0,2,0,0,0,0|2,0,0]=4 14199 B10R0.41 COC(CNCCCF)OC 270004a_100015189416_100000752162 [0,2,0,0,0,0|2,0,0]=4 14200 B10R0.41 COC(CNCCCF)OC 34a_100015189416_100000211822 [0,2,0,0,0,0|2,0,0]=4 14201 B10R0.41 COC(CNCCCO)OC 270004a_100000182051_100000752162 [0,2,0,0,0,0|2,0,0]=4 14202 B10R0.41 COC(CNCCSC)OC 2230a_100020590264_100000751394 [0,2,0,0,0,0|2,0,0]=4 14203 B10R0.41 COC(CNCCSC)OC 270004a_100020590264_100000752162 [0,2,0,0,0,0|2,0,0]=4 14204 B10R0.41 COC(COCCCBr)OC 34a_100011217188_100000211822 [0,2,0,0,0,0|2,0,0]=4 14205 B10R0.41 COC(COCCCCl)OC 34a_100000230001_100000211822 [0,2,0,0,0,0|2,0,0]=4 14206 B10R0.41 COC(COCCCF)OC 34a_100000759539_100000211822 [0,2,0,0,0,0|2,0,0]=4 14207 B10R0.41 COC(COCCCF)OC 34a_100011216393_100011934791 [0,2,0,0,0,0|2,0,0]=4 14208 B10R0.41 COC(COCCCN)OC 34a_100000182051_100000211822 [0,2,0,0,0,0|2,0,0]=4 14209 B10R0.41 COC(COCCCO)OC 34a_100011216393_100000230001 [0,2,0,0,0,0|2,0,0]=4 14210 B10R0.41 COC(COCCSC)OC 34a_100000230434_100000211822 [0,2,0,0,0,0|2,0,0]=4 14211 B10R0.41 COC(COCCSC)OC 34a_100011216393_100000212216 [0,2,0,0,0,0|2,0,0]=4 14212 B10R0.41 COC(COCCSC)OC 7a_100000230434_100000751394 [0,2,0,0,0,0|2,0,0]=4 14213 B10R0.41 COC(CSCCCF)OC 62a_100000751394_100011934791 [0,2,0,0,0,0|2,0,0]=4 14214 B10R0.41 COC(CSCCCF)OC 62a_100011934791_100000751394 [0,2,0,0,0,0|2,0,0]=4 14215 B10R0.41 COC(CSCCCO)OC 62a_100000751394_100011215043 [0,2,0,0,0,0|2,0,0]=4 14216 B10R0.41 COC(CSCCCO)OC 62a_100011215043_100000751394 [0,2,0,0,0,0|2,0,0]=4 14217 B10R0.41 COC(CSCCSC)OC 62a_100000212216_100000751394 [0,2,0,0,0,0|2,0,0]=4 14218 B10R0.41 COC(CSCCSC)OC 62a_100000751394_100000751147 [0,2,0,0,0,0|2,0,0]=4 14219 B10R0.41 COCCCNC(CO)CO 2230a_100000759517_100000740836 [0,2,0,0,0,0|2,0,0]=4 14220 B10R0.41 COCCNCC(OC)OC 2230a_100000209980_100000751394 [0,2,0,0,0,0|2,0,0]=4 14221 B10R0.41 COCCNCC(OC)OC 270004a_100000209980_100000752162 [0,2,0,0,0,0|2,0,0]=4 14222 B10R0.41 COCCOCC(OC)OC 34a_100000210237_100000211822 [0,2,0,0,0,0|2,0,0]=4 14223 B10R0.41 COCCOCC(OC)OC 34a_100011216393_100011201679 [0,2,0,0,0,0|2,0,0]=4 14224 B10R0.41 COCCSCC(OC)OC 62a_100000233755_100000751394 [0,2,0,0,0,0|2,0,0]=4 14225 B10R0.41 COCCSCC(OC)OC 62a_100000751394_100000233755 [0,2,0,0,0,0|2,0,0]=4 14226 B10R0.41 COCSCCC(OC)OC 62a_100000139399_100000766300 [0,2,0,0,0,0|2,0,0]=4 14227 B10R0.41 COCSCCC(OC)OC 62a_100000766300_100000139399 [0,2,0,0,0,0|2,0,0]=4 14228 B10R0.41 OCC(CO)NCCCCF 2230a_100000759517_100000729493 [0,2,0,0,0,0|2,0,0]=4 14229 B10R0.41 OCCCCNC(CO)CO 2230a_100000759517_100000210776 [0,2,0,0,0,0|2,0,0]=4 14230 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|1,0,1]=4 14231 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|1,0,1]=4 14232 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [0,2,0,0,0,0|2,0,0]=4 14233 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 34a_100015455354_100000210210 [0,2,0,0,0,0|2,0,0]=4 14234 B10R0.83 C=C[C@@H](C)[C@@H](C)OCCCC 7a_100015455354_100000210211 [0,2,0,0,0,0|2,0,0]=4 14235 B10R0.83 CC(CO)N(C)CCCCF 2230a_100000693034_100000729493 [0,2,0,0,0,0|2,0,0]=4 14236 B10R0.83 CC(CO)N(C)CCCCF 269982a_100000693034_100000729493 [0,2,0,0,0,0|2,0,0]=4 14237 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000693034_100000210776 [0,2,0,0,0,0|2,0,0]=4 14238 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000717598_100012180447 [0,2,0,0,0,0|2,0,0]=4 14239 B10R0.83 CC(CO)N(C)CCCCO 269982a_100000693034_100000210776 [0,2,0,0,0,0|2,0,0]=4 14240 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|1,0,1]=4 14241 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|1,0,1]=4 14242 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|1,0,1]=4 14243 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|1,0,1]=4 14244 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|1,0,1]=4 14245 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,1]=4 14246 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,1]=4 14247 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,1]=3 14248 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,1,1]=4 14249 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,1]=3 14250 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|0,0,1]=3 14251 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|0,0,2]=4 14252 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|0,0,2]=4 14253 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|0,0,2]=4 14254 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,2]=4 14255 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|0,0,2]=4 14256 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|0,0,2]=4 14257 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|0,0,2]=4 14258 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|0,0,2]=4 14259 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,2,0,0,0,0|2,0,0]=4 14260 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,2,0,0,0,0|2,0,0]=4 14261 B10R0.83 CCCCCN(C)C(C)C#N 2230a_100000223495_100000184139 [0,2,0,0,0,0|2,0,0]=4 14262 B10R0.83 CCCCCN(C)C(C)C#N 269982a_100000223495_100000703298 [0,2,0,0,0,0|2,0,0]=4 14263 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,2,0,0,0,0|2,0,0]=4 14264 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,2,0,0,0,0|2,0,0]=4 14265 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,2,0,0,0,0|2,0,0]=4 14266 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,2,0,0,0,0|2,0,0]=4 14267 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,2,0,0,0,0|1,0,0]=3 14268 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,2,0,0,0,0|1,0,0]=3 14269 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,2,0,0,0,0|1,0,0]=3 14270 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,2,0,0,0,0|1,0,0]=3 14271 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,2,0,0,0,0|1,0,0]=3 14272 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 14273 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 14274 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 14275 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|1,0,1]=4 14276 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|1,0,1]=4 14277 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|1,0,1]=4 14278 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,1]=4 14279 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,2,0,0,0,0|2,0,0]=4 14280 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,2,0,0,0,0|2,0,0]=4 14281 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 14282 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,1]=4 14283 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,1]=4 14284 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 14285 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,1]=4 14286 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,2,0,0,0,0|2,0,0]=4 14287 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|1,0,1]=4 14288 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|1,0,1]=4 14289 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|1,0,1]=4 14290 B10R0.83 CCOCCN(C)C(C)CO 2230a_100000693034_100011215890 [0,2,0,0,0,0|2,0,0]=4 14291 B10R0.83 CCOCCN(C)C(C)CO 269982a_100000693034_100011215890 [0,2,0,0,0,0|2,0,0]=4 14292 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|1,0,1]=4 14293 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|1,0,1]=4 14294 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|1,0,1]=4 14295 B10R0.83 CCSCCN(C)C(C)CO 2230a_100000693034_100000757381 [0,2,0,0,0,0|2,0,0]=4 14296 B10R0.83 CCSCCN(C)C(C)CO 269982a_100000693034_100000757381 [0,2,0,0,0,0|2,0,0]=4 14297 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|1,0,1]=4 14298 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|1,0,1]=4 14299 B10R0.83 COC(C)N(C)CCCCO 269982a_100000717598_100009879195 [0,2,0,0,0,0|2,0,0]=4 14300 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|1,0,1]=4 14301 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,1]=4 14302 B10R0.83 COCCCN(C)C(C)CO 2230a_100000224831_100012180447 [0,2,0,0,0,0|2,0,0]=4 14303 B10R0.83 COCCCN(C)C(C)CO 2230a_100000693034_100000740836 [0,2,0,0,0,0|2,0,0]=4 14304 B10R0.83 COCCCN(C)C(C)CO 269982a_100000693034_100000740836 [0,2,0,0,0,0|2,0,0]=4 14305 B10R0.83 COCCCN(C)C(C)OC 269982a_100000224831_100009879195 [0,2,0,0,0,0|2,0,0]=4 14306 B10R0.83 COCCCN(C)[C@H](C)CO 269982a_100000224831_100016084084 [0,2,0,0,0,0|2,0,0]=4 14307 B10R0.83 C[C@H](CO)N(C)CCCCO 269982a_100000717598_100016084084 [0,2,0,0,0,0|2,0,0]=4 14308 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|1,0,1]=4 14309 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,1]=4 14310 B10R0.108 C#CC(C)NCC(C)CCC 2230a_100000707721_100011216630 [0,2,0,0,0,0|2,0,0]=4 14311 B10R0.108 C#CC(C)NCC(C)CCC 270004a_100000707721_100000243154 [0,2,0,0,0,0|2,0,0]=4 14312 B10R0.108 C#CC(C)NCC(C)CCC 34a_100000707721_100011216630 [0,2,0,0,0,0|2,0,0]=4 14313 B10R0.108 C#CC(C)OCC(C)CCC 34a_100000688023_200000035995 [0,2,0,0,0,0|2,0,0]=4 14314 B10R0.108 C#CC(C)OC[C@@H](N)CCC 34a_100000732646_200000035995 [0,2,0,0,0,0|2,0,0]=4 14315 B10R0.108 C#CC(C)SCC(C)CCC 62a_200000035995_100011216630 [0,2,0,0,0,0|2,0,0]=4 14316 B10R0.108 C#C[C@@H](C)OCC(C)CCC 34a_100009815206_100011216630 [0,2,0,0,0,0|2,0,0]=4 14317 B10R0.108 C#C[C@@H](C)OCC(C)CCC 7a_100009815206_100011216630 [0,2,0,0,0,0|2,0,0]=4 14318 B10R0.108 C=CC(C)COC(C)CCC 34a_100011215527_100000766640 [0,2,0,0,0,0|2,0,0]=4 14319 B10R0.108 C=CC(C)COC(C)CCC 7a_100011215527_100000766640 [0,2,0,0,0,0|2,0,0]=4 14320 B10R0.108 C=CC(C)OCC(C)CCC 34a_100000695699_100011216630 [0,2,0,0,0,0|2,0,0]=4 14321 B10R0.108 C=CC(C)SCC(C)CCC 62a_100011215867_100011216630 [0,2,0,0,0,0|2,0,0]=4 14322 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [0,2,0,0,0,0|1,0,1]=4 14323 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [0,2,0,0,0,0|1,0,1]=4 14324 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [0,2,0,0,0,0|1,0,1]=4 14325 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [0,2,0,0,0,0|1,0,1]=4 14326 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [0,2,0,0,0,0|1,0,1]=4 14327 B10R0.108 CC(CCBr)OCC(O)CO 34a_100012276601_100011219619 [0,2,0,0,0,0|2,0,0]=4 14328 B10R0.108 CC(CCBr)OC[C@@H](C)CO 34a_100012276601_100000059175 [0,2,0,0,0,0|2,0,0]=4 14329 B10R0.108 CC(CCBr)OC[C@@H](O)CF 34a_100012276601_100015614560 [0,2,0,0,0,0|2,0,0]=4 14330 B10R0.108 CC(CCBr)OC[C@@H](O)CO 34a_100012276601_100009815848 [0,2,0,0,0,0|2,0,0]=4 14331 B10R0.108 CC(CCN)COC(C)CO 34a_106354213184_100012180447 [0,2,0,0,0,0|2,0,0]=4 14332 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [0,2,0,0,0,0|2,0,0]=4 14333 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [0,2,0,0,0,0|2,0,0]=4 14334 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [0,2,0,0,0,0|2,0,0]=4 14335 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100000059175_100009893172 [0,2,0,0,0,0|2,0,0]=4 14336 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100009893172_100000059175 [0,2,0,0,0,0|2,0,0]=4 14337 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100009893172_100015614560 [0,2,0,0,0,0|2,0,0]=4 14338 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100015614560_100009893172 [0,2,0,0,0,0|2,0,0]=4 14339 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [0,2,0,0,0,0|2,0,0]=4 14340 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [0,2,0,0,0,0|2,0,0]=4 14341 B10R0.108 CC(CO)CNC(C)CCO 34a_100000744482_100009893172 [0,2,0,0,0,0|2,0,0]=4 14342 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [0,2,0,0,0,0|2,0,0]=4 14343 B10R0.108 CCC(O)CNC(C)COC 2230a_100011218483_100000765312 [0,2,0,0,0,0|2,0,0]=4 14344 B10R0.108 CCC(O)CNC(C)COC 270004a_100011218483_100000749346 [0,2,0,0,0,0|2,0,0]=4 14345 B10R0.108 CCC(O)CNC(C)CSC 270004a_100011218483_100011216314 [0,2,0,0,0,0|2,0,0]=4 14346 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [0,2,0,0,0,0|2,0,0]=4 14347 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [0,2,0,0,0,0|2,0,0]=4 14348 B10R0.108 CCC(O)CN[C@H](C)COC 2230a_100000764878_100011218378 [0,2,0,0,0,0|2,0,0]=4 14349 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [0,2,0,0,0,0|2,0,0]=4 14350 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [0,2,0,0,0,0|2,0,0]=4 14351 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [0,2,0,0,0,0|2,0,0]=4 14352 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [0,2,0,0,0,0|2,0,0]=4 14353 B10R0.108 CCC(O)CSC(C)COC 62a_100000765312_100011218378 [0,2,0,0,0,0|2,0,0]=4 14354 B10R0.108 CCC(O)CSC(C)COC 62a_100011218378_100000765312 [0,2,0,0,0,0|2,0,0]=4 14355 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|1,0,1]=4 14356 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,2,0,0,0,0|1,0,1]=4 14357 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,2,0,0,0,0|1,0,1]=4 14358 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,2,0,0,0,0|1,0,1]=4 14359 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,2,0,0,0,0|1,0,1]=4 14360 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,2,0,0,0,0|1,0,1]=4 14361 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,2,0,0,0,0|1,0,1]=4 14362 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,2,0,0,0,0|1,0,1]=4 14363 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,2,0,0,0,0|1,0,1]=4 14364 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|1,0,1]=4 14365 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|1,0,1]=4 14366 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|1,0,1]=4 14367 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,2,0,0,0,0|1,0,1]=4 14368 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,2,0,0,0,0|1,0,1]=4 14369 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,2,0,0,0,0|1,0,1]=4 14370 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,2,0,0,0,0|1,0,1]=4 14371 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,2,0,0,0,0|1,0,1]=4 14372 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,2,0,0,0,0|1,0,1]=4 14373 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,2,0,0,0,0|1,0,0]=3 14374 B10R0.108 CCCC(C)CNC(C)C#N 2230a_100000737613_100011216630 [0,2,0,0,0,0|2,0,0]=4 14375 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,2,0,0,0,0|2,0,0]=4 14376 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,2,0,0,0,0|2,0,0]=4 14377 B10R0.108 CCCC(C)CN[C@H](C)CF 270004a_100102880703_100000243154 [0,2,0,0,0,0|2,0,0]=4 14378 B10R0.108 CCCC(C)CN[C@H](C)CO 2230a_100000737577_100011216630 [0,2,0,0,0,0|1,0,0]=3 14379 B10R0.108 CCCC(C)CN[C@H](C)CO 270004a_100000737577_100000243154 [0,2,0,0,0,0|1,0,0]=3 14380 B10R0.108 CCCC(C)COC(C)C#N 34a_100011218135_100011216630 [0,2,0,0,0,0|2,0,0]=4 14381 B10R0.108 CCCC(C)COC(C)C#N 7a_100000688023_100000703298 [0,2,0,0,0,0|2,0,0]=4 14382 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,2,0,0,0,0|2,0,0]=4 14383 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,2,0,0,0,0|2,0,0]=4 14384 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,2,0,0,0,0|2,0,0]=4 14385 B10R0.108 CCCC(C)COC(C)CF 34a_100016041109_100011216630 [0,2,0,0,0,0|2,0,0]=4 14386 B10R0.108 CCCC(C)COC(C)CF 7a_100016041109_100011216630 [0,2,0,0,0,0|2,0,0]=4 14387 B10R0.108 CCCC(C)COC(C)CN 34a_100000210904_100011216630 [0,2,0,0,0,0|2,0,0]=4 14388 B10R0.108 CCCC(C)COC(C)CO 34a_100000688023_100012180447 [0,2,0,0,0,0|1,0,0]=3 14389 B10R0.108 CCCC(C)COC(C)CO 7a_100000688023_100012180447 [0,2,0,0,0,0|1,0,0]=3 14390 B10R0.108 CCCC(C)CSC(C)C#N 62a_100000703298_100011216630 [0,2,0,0,0,0|2,0,0]=4 14391 B10R0.108 CCCC(C)CSC(C)C#N 62a_100011216630_100000703298 [0,2,0,0,0,0|2,0,0]=4 14392 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,2,0,0,0,0|2,0,0]=4 14393 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,2,0,0,0,0|2,0,0]=4 14394 B10R0.108 CCCC(C)CSC(C)CO 62a_100012180447_100011216630 [0,2,0,0,0,0|1,0,0]=3 14395 B10R0.108 CCCC(C)CSC(C)OC 62a_100009879195_100011216630 [0,2,0,0,0,0|1,0,0]=3 14396 B10R0.108 CCCC(C)CSC(C)OC 62a_100011216630_100009879195 [0,2,0,0,0,0|1,0,0]=3 14397 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100011216630_100016084084 [0,2,0,0,0,0|1,0,0]=3 14398 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100016084084_100011216630 [0,2,0,0,0,0|1,0,0]=3 14399 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,2,0,0,0,0|2,0,0]=4 14400 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,2,0,0,0,0|2,0,0]=4 14401 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,2,0,0,0,0|2,0,0]=4 14402 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,2,0,0,0,0|2,0,0]=4 14403 B10R0.108 CCCC(C)NCC(C)CO 34a_100000744482_100000766640 [0,2,0,0,0,0|1,0,0]=3 14404 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,2,0,0,0,0|1,0,0]=3 14405 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,2,0,0,0,0|1,0,0]=3 14406 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,2,0,0,0,0|1,0,0]=3 14407 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [0,2,0,0,0,0|1,0,0]=3 14408 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,2,0,0,0,0|2,0,0]=4 14409 B10R0.108 CCCC(C)NC[C@@H](C)CO 2230a_100000741246_100000059175 [0,2,0,0,0,0|1,0,0]=3 14410 B10R0.108 CCCC(C)NC[C@@H](C)OC 2230a_100020591295_100000766640 [0,2,0,0,0,0|1,0,0]=3 14411 B10R0.108 CCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211909 [0,2,0,0,0,0|1,0,0]=3 14412 B10R0.108 CCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211909 [0,2,0,0,0,0|2,0,0]=4 14413 B10R0.108 CCCC(C)NC[C@@H](F)CO 34a_100015665980_100000766640 [0,2,0,0,0,0|2,0,0]=4 14414 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [0,2,0,0,0,0|1,0,0]=3 14415 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [0,2,0,0,0,0|1,0,0]=3 14416 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [0,2,0,0,0,0|1,0,0]=3 14417 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,2,0,0,0,0|2,0,0]=4 14418 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,2,0,0,0,0|2,0,0]=4 14419 B10R0.108 CCCC(C)OCC(C)CN 34a_100000744482_100000766640 [0,2,0,0,0,0|2,0,0]=4 14420 B10R0.108 CCCC(C)OCC(C)OC 34a_100000690652_100000766640 [0,2,0,0,0,0|1,0,0]=3 14421 B10R0.108 CCCC(C)OCC(Cl)CCl 34a_100000033668_100000766640 [0,2,0,0,0,0|2,0,0]=4 14422 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,2,0,0,0,0|1,0,0]=3 14423 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,2,0,0,0,0|1,0,0]=3 14424 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,2,0,0,0,0|1,0,0]=3 14425 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,2,0,0,0,0|1,0,0]=3 14426 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,2,0,0,0,0|2,0,0]=4 14427 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,2,0,0,0,0|2,0,0]=4 14428 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,2,0,0,0,0|2,0,0]=4 14429 B10R0.108 CCCC(C)OC[C@@H](C)CO 34a_100000764384_100000059175 [0,2,0,0,0,0|1,0,0]=3 14430 B10R0.108 CCCC(C)OC[C@@H](C)CO 7a_100000764384_100000059175 [0,2,0,0,0,0|1,0,0]=3 14431 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [0,2,0,0,0,0|1,0,0]=3 14432 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [0,2,0,0,0,0|1,0,0]=3 14433 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,2,0,0,0,0|1,0,0]=3 14434 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,2,0,0,0,0|1,0,0]=3 14435 B10R0.108 CCCC(C)OC[C@H](F)CN 34a_100015665980_100000766640 [0,2,0,0,0,0|2,0,0]=4 14436 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,2,0,0,0,0|2,0,0]=4 14437 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,2,0,0,0,0|2,0,0]=4 14438 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,2,0,0,0,0|1,0,0]=3 14439 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,2,0,0,0,0|1,0,0]=3 14440 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [0,2,0,0,0,0|1,0,0]=3 14441 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [0,2,0,0,0,0|1,0,0]=3 14442 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,2,0,0,0,0|2,0,0]=4 14443 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,2,0,0,0,0|2,0,0]=4 14444 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000059175_100000766640 [0,2,0,0,0,0|1,0,0]=3 14445 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000766640_100000059175 [0,2,0,0,0,0|1,0,0]=3 14446 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100000766640_100015614560 [0,2,0,0,0,0|1,0,0]=3 14447 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100015614560_100000766640 [0,2,0,0,0,0|1,0,0]=3 14448 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [0,2,0,0,0,0|1,0,0]=3 14449 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [0,2,0,0,0,0|1,0,0]=3 14450 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,2,0,0,0,0|2,0,0]=4 14451 B10R0.108 CCC[C@H](N)COC(C)CO 34a_100000732646_100012180447 [0,2,0,0,0,0|1,0,0]=3 14452 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|1,0,1]=4 14453 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|1,0,1]=4 14454 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,2,0,0,0,0|2,0,0]=4 14455 B10R0.108 COC(C)COC(C)CCO 34a_100000690652_100009893172 [0,2,0,0,0,0|2,0,0]=4 14456 B10R0.108 COCC(C)NCC(C)CO 34a_100000744482_100000765312 [0,2,0,0,0,0|2,0,0]=4 14457 B10R0.108 COCC(C)NC[C@@H](C)OC 2230a_100020591295_100000765312 [0,2,0,0,0,0|2,0,0]=4 14458 B10R0.108 COCC(C)NC[C@@H](C)OC 270004a_100020591295_100000749346 [0,2,0,0,0,0|2,0,0]=4 14459 B10R0.108 COCC(C)NC[C@H](O)CO 2230a_100020644852_100000765312 [0,2,0,0,0,0|2,0,0]=4 14460 B10R0.108 COCC(C)OCC(C)OC 34a_100000690652_100000765312 [0,2,0,0,0,0|2,0,0]=4 14461 B10R0.108 COCC(C)OCC(C)OC 34a_200011930013_200000210301 [0,2,0,0,0,0|2,0,0]=4 14462 B10R0.108 COCC(C)OCC(C)OC 7a_200011930013_200000210301 [0,2,0,0,0,0|2,0,0]=4 14463 B10R0.108 COCC(C)OCC(C)O[13CH3] 34a_200011930013_200025704644 [0,2,0,0,0,0|2,0,0]=4 14464 B10R0.108 COCC(C)OCC(C)O[13CH3] 7a_200011930013_200025704644 [0,2,0,0,0,0|2,0,0]=4 14465 B10R0.108 COCC(C)SCC(O)CO 62a_100000765312_100011219619 [0,2,0,0,0,0|2,0,0]=4 14466 B10R0.108 COCC(C)SCC(O)CO 62a_100011219619_100000765312 [0,2,0,0,0,0|2,0,0]=4 14467 B10R0.108 COCC(C)SC[C@@H](C)CO 62a_100000059175_100000765312 [0,2,0,0,0,0|2,0,0]=4 14468 B10R0.108 COCC(C)SC[C@@H](C)CO 62a_100000765312_100000059175 [0,2,0,0,0,0|2,0,0]=4 14469 B10R0.108 COCC(C)SC[C@@H](O)CF 62a_100000765312_100015614560 [0,2,0,0,0,0|2,0,0]=4 14470 B10R0.108 COCC(C)SC[C@@H](O)CF 62a_100015614560_100000765312 [0,2,0,0,0,0|2,0,0]=4 14471 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100000765312_100009815848 [0,2,0,0,0,0|2,0,0]=4 14472 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100009815848_100000765312 [0,2,0,0,0,0|2,0,0]=4 14473 B10R0.108 COCC(N)COC(C)CO 34a_100000724102_100012180447 [0,2,0,0,0,0|2,0,0]=4 14474 B10R0.108 COCC(O)CNC(C)CO 2230a_100000756049_100012180447 [0,2,0,0,0,0|2,0,0]=4 14475 B10R0.108 COCC(O)CNC(C)CO 34a_100000756049_100012180447 [0,2,0,0,0,0|2,0,0]=4 14476 B10R0.108 COCC(O)CSC(C)CO 62a_100012180447_100011215053 [0,2,0,0,0,0|2,0,0]=4 14477 B10R0.108 COCC(O)CSC(C)OC 62a_100009879195_100011215053 [0,2,0,0,0,0|2,0,0]=4 14478 B10R0.108 COCC(O)CSC(C)OC 62a_100011215053_100009879195 [0,2,0,0,0,0|2,0,0]=4 14479 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100011215053_100016084084 [0,2,0,0,0,0|2,0,0]=4 14480 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100016084084_100011215053 [0,2,0,0,0,0|2,0,0]=4 14481 B10R0.108 COC[C@@H](C)NCC(O)CO 2230a_100000764878_100011219619 [0,2,0,0,0,0|2,0,0]=4 14482 B10R0.108 COC[C@@H](C)NC[C@@H](C)CO 2230a_100000764878_100000059175 [0,2,0,0,0,0|2,0,0]=4 14483 B10R0.108 COC[C@@H](C)NC[C@@H](O)CF 2230a_100000764878_100015614560 [0,2,0,0,0,0|2,0,0]=4 14484 B10R0.108 COC[C@@H](C)NC[C@@H](O)CO 2230a_100000764878_100009815848 [0,2,0,0,0,0|2,0,0]=4 14485 B10R0.108 COC[C@@H](C)OCC(O)CO 34a_100011934205_100011219619 [0,2,0,0,0,0|2,0,0]=4 14486 B10R0.108 COC[C@@H](C)OC[C@@H](C)CO 34a_100011934205_100000059175 [0,2,0,0,0,0|2,0,0]=4 14487 B10R0.108 COC[C@@H](C)OC[C@@H](O)CF 34a_100011934205_100015614560 [0,2,0,0,0,0|2,0,0]=4 14488 B10R0.108 COC[C@@H](C)OC[C@@H](O)CO 34a_100011934205_100009815848 [0,2,0,0,0,0|2,0,0]=4 14489 B10R0.108 CO[C@H](C)CNC(C)CCO 2230a_100020591295_100009893172 [0,2,0,0,0,0|2,0,0]=4 14490 B10R0.108 CO[C@H](C)CNC(C)CSC 270004a_100020591295_100011216314 [0,2,0,0,0,0|2,0,0]=4 14491 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 2230a_100000706166_100000059175 [0,2,0,0,0,0|2,0,0]=4 14492 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 34a_100000706166_100000059175 [0,2,0,0,0,0|2,0,0]=4 14493 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [0,2,0,0,0,0|2,0,0]=4 14494 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [0,2,0,0,0,0|2,0,0]=4 14495 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 2230a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 14496 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 34a_100000706166_100015614560 [0,2,0,0,0,0|2,0,0]=4 14497 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [0,2,0,0,0,0|2,0,0]=4 14498 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [0,2,0,0,0,0|2,0,0]=4 14499 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|0,0,2]=4 14500 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|0,0,2]=4 14501 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|1,0,1]=4 14502 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|1,0,1]=4 14503 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|1,0,1]=4 14504 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,2,0,0,0,0|1,0,1]=4 14505 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|0,0,1]=3 14506 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|0,0,1]=3 14507 B10R0.26 CCCC(C)CN(C)C(C)C 269982a_200000211004_100011216630 [0,2,0,0,0,0|2,0,0]=4 14508 B10R0.26 CCCC(C)CN(C)C(C)C 270004a_200000211004_100000243154 [0,2,0,0,0,0|2,0,0]=4 14509 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,2,0,0,0,0|1,0,1]=4 14510 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,2,0,0,0,0|1,0,1]=4 14511 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,2,0,0,0,0|1,0,1]=4 14512 B10R0.26 CCCC(C)NC(C)C(C)C 2230a_100000211541_100000766640 [0,2,0,0,0,0|2,0,0]=4 14513 B10R0.26 CCCC(C)NC(C)C(C)C 270004a_100000211541_100000211909 [0,2,0,0,0,0|2,0,0]=4 14514 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,2,0,0,0,0|2,0,0]=4 14515 B10R0.42 CCCCNC(C)(C)C(C)C 2230a_200160471154_100000210211 [0,2,0,0,0,0|2,0,0]=4 14516 B10R0.42 CCCCOC(C)(C)C(C)C 7a_100011215261_100000210211 [0,2,0,0,0,0|2,0,0]=4 14517 B10R0.86 C#CC(OCCCC)C(C)C 34a_100011217124_100000210210 [0,2,0,0,0,0|2,0,0]=4 14518 B10R0.86 C#CC(OCCCC)C(C)C 7a_100011217124_100000210211 [0,2,0,0,0,0|2,0,0]=4 14519 B10R0.86 C=CC(OCCCC)C(C)C 34a_100000732651_100000210210 [0,2,0,0,0,0|2,0,0]=4 14520 B10R0.86 C=CC(OCCCC)C(C)C 7a_100000732651_100000210211 [0,2,0,0,0,0|2,0,0]=4 14521 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|0,0,2]=4 14522 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|0,0,2]=4 14523 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,2,0,0,0,0|2,0,0]=4 14524 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|1,0,0]=3 14525 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|1,0,0]=3 14526 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|1,0,0]=3 14527 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|1,0,0]=3 14528 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223497_100000210202 [0,2,0,0,0,0|2,0,0]=4 14529 B10R0.86 CCCCCN(CC)C(C)C 2230a_100000223864_100000210326 [0,2,0,0,0,0|2,0,0]=4 14530 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223497_100000204670 [0,2,0,0,0,0|2,0,0]=4 14531 B10R0.86 CCCCCN(CC)C(C)C 269982a_100000223864_100000210215 [0,2,0,0,0,0|2,0,0]=4 14532 B10R0.86 CCCCCN(CF)C(C)C 269982a_100000223497_100015361967 [0,2,0,0,0,0|2,0,0]=4 14533 B10R0.86 CCCCNC(CC)C(C)C 270004a_100000102301_100000210600 [0,2,0,0,0,0|2,0,0]=4 14534 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210211 [0,2,0,0,0,0|1,0,0]=3 14535 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210210 [0,2,0,0,0,0|1,0,0]=3 14536 B10R0.86 CCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210211 [0,2,0,0,0,0|2,0,0]=4 14537 B10R0.86 CCCCN[C@@H](CO)C(C)C 34a_100011830312_100000210210 [0,2,0,0,0,0|2,0,0]=4 14538 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210211 [0,2,0,0,0,0|1,0,0]=3 14539 B10R0.86 CCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210210 [0,2,0,0,0,0|1,0,0]=3 14540 B10R0.86 CCCCOC(C#N)C(C)C 34a_100000748901_100000210210 [0,2,0,0,0,0|2,0,0]=4 14541 B10R0.86 CCCCOC(C#N)C(C)C 7a_100000748901_100000210211 [0,2,0,0,0,0|2,0,0]=4 14542 B10R0.86 CCCCOC(CC)C(C)C 34a_100011218073_100000210210 [0,2,0,0,0,0|2,0,0]=4 14543 B10R0.86 CCCCOC(CC)C(C)C 7a_100011218073_100000210211 [0,2,0,0,0,0|2,0,0]=4 14544 B10R0.86 CCCCOC(CN)C(C)C 34a_100000759067_100000210210 [0,2,0,0,0,0|2,0,0]=4 14545 B10R0.86 CCCNCC(CC)C(C)C 269862a_100020643023_100011214906 [0,2,0,0,0,0|2,0,0]=4 14546 B10R0.86 CCCNCC(CO)C(C)C 34a_100000692819_100000210303 [0,2,0,0,0,0|2,0,0]=4 14547 B10R0.86 CCCOCC(CC)C(C)C 34a_100011995916_100000210303 [0,2,0,0,0,0|2,0,0]=4 14548 B10R0.86 CCCOCC(CC)C(C)C 7a_100011995916_100000210303 [0,2,0,0,0,0|2,0,0]=4 14549 B10R0.86 CCCOCC(CN)C(C)C 34a_100000692819_100000210303 [0,2,0,0,0,0|2,0,0]=4 14550 B10R0.86 CC[C@H](NCCCF)[C@@H](C)O 2230a_100161114882_100011934791 [0,2,0,0,0,0|2,0,0]=4 14551 B10R0.86 CC[C@H](NCCCF)[C@@H](C)O 34a_100161114882_100011934791 [0,2,0,0,0,0|2,0,0]=4 14552 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 2230a_100161114882_100000230001 [0,2,0,0,0,0|2,0,0]=4 14553 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 34a_100161114882_100000230001 [0,2,0,0,0,0|2,0,0]=4 14554 B10R0.86 CC[C@H](NCCOC)[C@@H](C)O 2230a_100161114882_100011201679 [0,2,0,0,0,0|2,0,0]=4 14555 B10R0.86 CC[C@H](NCCOC)[C@@H](C)O 34a_100161114882_100011201679 [0,2,0,0,0,0|2,0,0]=4 14556 B10R0.86 CC[C@H](NCCSC)[C@@H](C)O 2230a_100161114882_100000751147 [0,2,0,0,0,0|2,0,0]=4 14557 B10R0.86 CC[C@H](NCCSC)[C@@H](C)O 34a_100161114882_100000212216 [0,2,0,0,0,0|2,0,0]=4 14558 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011201679 [0,2,0,0,0,0|2,0,0]=4 14559 B10R0.86 COCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011201679 [0,2,0,0,0,0|2,0,0]=4 14560 B10R0.86 CSCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000751147 [0,2,0,0,0,0|2,0,0]=4 14561 B10R0.86 CSCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000212216 [0,2,0,0,0,0|2,0,0]=4 14562 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCF 2230a_100015196842_100011934791 [0,2,0,0,0,0|2,0,0]=4 14563 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCF 34a_100015196842_100011934791 [0,2,0,0,0,0|2,0,0]=4 14564 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 2230a_100015196842_100000230001 [0,2,0,0,0,0|2,0,0]=4 14565 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 34a_100015196842_100000230001 [0,2,0,0,0,0|2,0,0]=4 14566 B10R0.27 C#CC(CCC)OCC(C)C 34a_200011217317_100000210624 [0,2,0,0,0,0|2,0,0]=4 14567 B10R0.27 C#CC(CCC)OCC(C)C 7a_200011217317_100000210760 [0,2,0,0,0,0|2,0,0]=4 14568 B10R0.27 C#CC(CCC)OCC(C)O 34a_200011217317_100011218427 [0,2,0,0,0,0|1,0,0]=3 14569 B10R0.27 C#CC(CCC)OCC(C)O 7a_200011217317_100011218427 [0,2,0,0,0,0|1,0,0]=3 14570 B10R0.27 C#CC(CCC)OC[C@@H](C)O 34a_200011217317_100009817552 [0,2,0,0,0,0|1,0,0]=3 14571 B10R0.27 C#CC(CCC)OC[C@@H](C)O 7a_200011217317_100009817552 [0,2,0,0,0,0|1,0,0]=3 14572 B10R0.27 C=CC(CCC)OCC(C)C 34a_100011216692_100000210624 [0,2,0,0,0,0|2,0,0]=4 14573 B10R0.27 C=CC(CCC)OCC(C)C 7a_100011216692_100000210760 [0,2,0,0,0,0|2,0,0]=4 14574 B10R0.27 C=CC(CCC)OCC(C)O 34a_100011216692_100011218427 [0,2,0,0,0,0|1,0,0]=3 14575 B10R0.27 C=CC(CCC)OCC(C)O 7a_100011216692_100011218427 [0,2,0,0,0,0|1,0,0]=3 14576 B10R0.27 C=CC(CCC)OC[C@@H](C)O 34a_100011216692_100009817552 [0,2,0,0,0,0|1,0,0]=3 14577 B10R0.27 C=CC(CCC)OC[C@@H](C)O 7a_100011216692_100009817552 [0,2,0,0,0,0|1,0,0]=3 14578 B10R0.27 CCC(COC)NCC(C)O 2230a_100000757820_100011218427 [0,2,0,0,0,0|2,0,0]=4 14579 B10R0.27 CCC(COC)NCC(C)O 270004a_100000210904_100000757811 [0,2,0,0,0,0|2,0,0]=4 14580 B10R0.27 CCC(COC)NC[C@@H](C)O 2230a_100000757820_100009817552 [0,2,0,0,0,0|2,0,0]=4 14581 B10R0.27 CCC(COC)OCC(C)O 7a_200011214946_100011218427 [0,2,0,0,0,0|2,0,0]=4 14582 B10R0.27 CCC(COC)OC[C@@H](C)O 7a_200011214946_100009817552 [0,2,0,0,0,0|2,0,0]=4 14583 B10R0.27 CCCC(C#N)OCC(C)C 34a_100000686963_100000210624 [0,2,0,0,0,0|2,0,0]=4 14584 B10R0.27 CCCC(C#N)OCC(C)C 7a_100000686963_100000210760 [0,2,0,0,0,0|2,0,0]=4 14585 B10R0.27 CCCC(C#N)OCC(C)O 34a_100000686963_100011218427 [0,2,0,0,0,0|1,0,0]=3 14586 B10R0.27 CCCC(C#N)OCC(C)O 7a_100000686963_100011218427 [0,2,0,0,0,0|1,0,0]=3 14587 B10R0.27 CCCC(C#N)OC[C@@H](C)O 34a_100000686963_100009817552 [0,2,0,0,0,0|1,0,0]=3 14588 B10R0.27 CCCC(C#N)OC[C@@H](C)O 7a_100000686963_100009817552 [0,2,0,0,0,0|1,0,0]=3 14589 B10R0.27 CCCC(CC)NCC(C)C 2230a_100000747048_100000210760 [0,2,0,0,0,0|2,0,0]=4 14590 B10R0.27 CCCC(CC)NCC(C)C 270004a_100000210953_100000687865 [0,2,0,0,0,0|2,0,0]=4 14591 B10R0.27 CCCC(CC)NCC(C)C 270004a_100000747048_100000210432 [0,2,0,0,0,0|2,0,0]=4 14592 B10R0.27 CCCC(CC)NCC(C)O 2230a_100000747048_100011218427 [0,2,0,0,0,0|1,0,0]=3 14593 B10R0.27 CCCC(CC)NCC(C)O 270004a_100000210904_100000687865 [0,2,0,0,0,0|1,0,0]=3 14594 B10R0.27 CCCC(CC)NC[C@@H](C)O 2230a_100000747048_100009817552 [0,2,0,0,0,0|1,0,0]=3 14595 B10R0.27 CCCC(CC)OCC(C)C 34a_100000687864_100000210624 [0,2,0,0,0,0|2,0,0]=4 14596 B10R0.27 CCCC(CC)OCC(C)C 7a_100000687864_100000210760 [0,2,0,0,0,0|2,0,0]=4 14597 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [0,2,0,0,0,0|1,0,0]=3 14598 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [0,2,0,0,0,0|1,0,0]=3 14599 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [0,2,0,0,0,0|1,0,0]=3 14600 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [0,2,0,0,0,0|1,0,0]=3 14601 B10R0.27 CCCC(CC)SCC(C)C 62a_100000210624_100011219200 [0,2,0,0,0,0|2,0,0]=4 14602 B10R0.27 CCCC(CC)SCC(C)C 62a_100011219200_100000210760 [0,2,0,0,0,0|2,0,0]=4 14603 B10R0.27 CCCC(CC)SCC(C)O 62a_100011218427_100011219200 [0,2,0,0,0,0|1,0,0]=3 14604 B10R0.27 CCCC(CC)SCC(C)O 62a_100011219200_100011218427 [0,2,0,0,0,0|1,0,0]=3 14605 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100009817552_100011219200 [0,2,0,0,0,0|1,0,0]=3 14606 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100011219200_100009817552 [0,2,0,0,0,0|1,0,0]=3 14607 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000207693_100000210303 [0,2,0,0,0,0|2,0,0]=4 14608 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000226822_100000210312 [0,2,0,0,0,0|2,0,0]=4 14609 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000207693_100000210303 [0,2,0,0,0,0|2,0,0]=4 14610 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000226822_100000210312 [0,2,0,0,0,0|2,0,0]=4 14611 B10R0.27 CCCN(CC)CCC(C)O 2230a_100000226822_100012276601 [0,2,0,0,0,0|1,0,0]=3 14612 B10R0.27 CCCN(CC)CCC(C)O 269982a_100000226822_100012276601 [0,2,0,0,0,0|1,0,0]=3 14613 B10R0.27 CCC[C@@H](CO)NCC(C)C 2230a_100000732646_100000210760 [0,2,0,0,0,0|2,0,0]=4 14614 B10R0.27 CCC[C@@H](CO)NCC(C)C 34a_100000732646_100000210624 [0,2,0,0,0,0|2,0,0]=4 14615 B10R0.27 CCC[C@@H](CO)NCC(C)O 2230a_100000732646_100011218427 [0,2,0,0,0,0|1,0,0]=3 14616 B10R0.27 CCC[C@@H](CO)NCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|1,0,0]=3 14617 B10R0.27 CCC[C@@H](CO)NC[C@@H](C)O 2230a_100000732646_100009817552 [0,2,0,0,0,0|1,0,0]=3 14618 B10R0.27 CCC[C@@H](CO)NC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|1,0,0]=3 14619 B10R0.27 CCN(CCO)CCC(C)O 2230a_100000210973_100012276601 [0,2,0,0,0,0|2,0,0]=4 14620 B10R0.27 CCN(CCO)CCC(C)O 269982a_100000210973_100012276601 [0,2,0,0,0,0|2,0,0]=4 14621 B10R0.27 CCOC(CC)CCC(C)C 34a_100011216567_100000210202 [0,2,0,0,0,0|2,0,0]=4 14622 B10R0.27 CCOC(CC)CCC(C)C 7a_100011216567_100000210202 [0,2,0,0,0,0|2,0,0]=4 14623 B10R0.27 COCC(CCl)OCC(C)O 34a_100011215053_100011218427 [0,2,0,0,0,0|2,0,0]=4 14624 B10R0.27 COCC(CCl)OC[C@@H](C)O 34a_100011215053_100009817552 [0,2,0,0,0,0|2,0,0]=4 14625 B10R0.27 COCC(CN)OCC(C)O 34a_100000756049_100011218427 [0,2,0,0,0,0|2,0,0]=4 14626 B10R0.27 COCC(CN)OC[C@@H](C)O 34a_100000756049_100009817552 [0,2,0,0,0,0|2,0,0]=4 14627 B10R0.27 COCC(CO)NCC(C)O 2230a_100000724102_100011218427 [0,2,0,0,0,0|2,0,0]=4 14628 B10R0.27 COCC(CO)NCC(C)O 34a_100000724102_100011218427 [0,2,0,0,0,0|2,0,0]=4 14629 B10R0.27 COCC(CO)NC[C@@H](C)O 2230a_100000724102_100009817552 [0,2,0,0,0,0|2,0,0]=4 14630 B10R0.27 COCC(CO)NC[C@@H](C)O 34a_100000724102_100009817552 [0,2,0,0,0,0|2,0,0]=4 14631 B10R0.105 CC(O)COC(C)(C)CCBr 7a_100000702414_100011218427 [0,2,0,0,0,0|2,0,0]=4 14632 B10R0.105 CCCC(C)(C)COC(C)C 7a_100011995695_100000210206 [0,2,0,0,0,0|2,0,0]=4 14633 B10R0.105 CCCC(C)(C)OCC(C)C 7a_100000748436_100000210760 [0,2,0,0,0,0|2,0,0]=4 14634 B10R0.105 CCCC(C)(C)OCC(C)O 7a_100000748436_100011218427 [0,2,0,0,0,0|1,0,0]=3 14635 B10R0.105 CCCC(C)(C)OC[C@@H](C)O 7a_100000748436_100009817552 [0,2,0,0,0,0|1,0,0]=3 14636 B10R0.105 CCCS(=O)(=O)NCC(C)O 270084a_100000210904_100000211391 [0,2,0,0,0,0|2,0,0]=4 14637 B10R0.105 CCCS(=O)(=O)NCC(C)O 274078a_100000210904_100000211391 [0,2,0,0,0,0|2,0,0]=4 14638 B10R0.105 CCCS(=O)(=O)NCC(C)O 40a_100000210904_100000054278 [0,2,0,0,0,0|2,0,0]=4 14639 B10R0.105 CCOC(C)(C)CCC(C)C 34a_100121572206_200000037585 [0,2,0,0,0,0|2,0,0]=4 14640 B10R0.105 CCOC(C)(C)CCC(C)C 7a_200011218267_100000210202 [0,2,0,0,0,0|2,0,0]=4 14641 B10R0.105 CCSC(C)(C)CCC(C)C 62a_100000210202_200000037585 [0,2,0,0,0,0|2,0,0]=4 14642 B10R0.105 CCSC(C)(C)CCC(C)C 62a_200000037585_100000210202 [0,2,0,0,0,0|2,0,0]=4 14643 B10R0.105 COCC(C)(C)NCC(C)O 2230a_100000752728_100011218427 [0,2,0,0,0,0|2,0,0]=4 14644 B10R0.105 COCC(C)(C)NC[C@@H](C)O 2230a_100000752728_100009817552 [0,2,0,0,0,0|2,0,0]=4 14645 B10R0.105 CSCC(C)(C)NCC(C)O 2230a_100000759623_100011218427 [0,2,0,0,0,0|2,0,0]=4 14646 B10R0.105 CSCC(C)(C)NCC(C)O 7a_100000759623_100011218427 [0,2,0,0,0,0|2,0,0]=4 14647 B10R0.105 CSCC(C)(C)NC[C@@H](C)O 2230a_100000759623_100009817552 [0,2,0,0,0,0|2,0,0]=4 14648 B10R0.105 CSCC(C)(C)NC[C@@H](C)O 7a_100000759623_100009817552 [0,2,0,0,0,0|2,0,0]=4 14649 B10R0.105 C[C@@H](O)COC(C)(C)CCBr 7a_100000702414_100009817552 [0,2,0,0,0,0|2,0,0]=4 14650 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 14651 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|2,0,0]=4 14652 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|2,0,0]=4 14653 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 14654 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [1,0,0,1,0,0|2,0,0]=4 14655 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [1,0,0,1,0,0|2,0,0]=4 14656 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [1,0,0,1,0,0|2,0,0]=4 14657 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [1,0,0,1,0,0|2,0,0]=4 14658 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 14659 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,0]=3 14660 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,0]=3 14661 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,0]=3 14662 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,0]=3 14663 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 14664 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|2,0,0]=4 14665 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|2,0,0]=4 14666 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|2,0,0]=4 14667 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|2,0,0]=4 14668 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,1,0,0|2,0,0]=4 14669 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,1,0,0|2,0,0]=4 14670 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 14671 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,1,0,0|2,0,0]=4 14672 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,1,0,0|2,0,0]=4 14673 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,1,0,0|2,0,0]=4 14674 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 14675 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,1,0,0|2,0,0]=4 14676 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,1,0,0|2,0,0]=4 14677 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,1,0,0|2,0,0]=4 14678 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,1,0,0|2,0,0]=4 14679 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 14680 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,0]=3 14681 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,0]=3 14682 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,0]=3 14683 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|2,0,0]=4 14684 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|2,0,0]=4 14685 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|2,0,0]=4 14686 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|2,0,0]=4 14687 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 14688 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|2,0,0]=4 14689 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|2,0,0]=4 14690 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,0]=3 14691 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,0]=3 14692 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|2,0,0]=4 14693 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,1,0,0|2,0,0]=4 14694 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,1,0,0|2,0,0]=4 14695 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 14696 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,0]=3 14697 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 14698 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|2,0,0]=4 14699 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 14700 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,1,0,0|2,0,0]=4 14701 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 14702 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,1,0,0|2,0,0]=4 14703 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 14704 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,0]=3 14705 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,0]=3 14706 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|2,0,0]=4 14707 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|2,0,0]=4 14708 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|2,0,0]=4 14709 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 14710 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|2,0,0]=4 14711 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,0]=3 14712 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,0]=3 14713 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|2,0,0]=4 14714 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,1,0,0|2,0,0]=4 14715 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,1,0,0|2,0,0]=4 14716 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 14717 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 14718 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,0]=3 14719 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 14720 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 14721 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,0]=3 14722 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 14723 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 14724 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,1,0,0|2,0,0]=4 14725 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 14726 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 14727 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,1,0,0|2,0,0]=4 14728 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [1,0,0,1,0,0|1,0,0]=3 14729 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [1,0,0,1,0,0|1,0,0]=3 14730 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 14731 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [1,0,0,1,0,0|2,0,0]=4 14732 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 14733 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,0]=3 14734 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,0]=3 14735 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,0]=3 14736 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|2,0,0]=4 14737 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|2,0,0]=4 14738 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [1,0,0,1,0,0|2,0,0]=4 14739 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|2,0,0]=4 14740 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 14741 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|2,0,0]=4 14742 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 14743 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,0]=3 14744 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,0]=3 14745 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|1,0,0]=3 14746 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|2,0,0]=4 14747 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [1,0,0,1,0,0|2,0,0]=4 14748 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|2,0,0]=4 14749 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,0]=3 14750 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,0]=3 14751 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|2,0,0]=4 14752 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 14753 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 14754 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,0]=3 14755 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,0]=3 14756 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,0]=3 14757 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,0]=3 14758 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,0]=3 14759 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,0]=3 14760 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 14761 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 14762 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|2,0,0]=4 14763 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|2,0,0]=4 14764 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|2,0,0]=4 14765 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [1,0,0,1,0,0|2,0,0]=4 14766 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [1,0,0,1,0,0|2,0,0]=4 14767 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [1,0,0,1,0,0|2,0,0]=4 14768 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [1,0,0,1,0,0|2,0,0]=4 14769 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [1,0,0,1,0,0|2,0,0]=4 14770 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,0]=3 14771 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,0]=3 14772 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 14773 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,0]=3 14774 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,0]=3 14775 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,0]=3 14776 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,0]=3 14777 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|2,0,0]=4 14778 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|2,0,0]=4 14779 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|2,0,0]=4 14780 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,0,0,1,0,0|2,0,0]=4 14781 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [1,0,0,1,0,0|2,0,0]=4 14782 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [1,0,0,1,0,0|2,0,0]=4 14783 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 14784 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|2,0,0]=4 14785 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|2,0,0]=4 14786 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,0]=3 14787 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,0]=3 14788 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|1,0,0]=3 14789 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|1,0,0]=3 14790 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|2,0,0]=4 14791 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|2,0,0]=4 14792 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [1,0,0,1,0,0|2,0,0]=4 14793 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [1,0,0,1,0,0|2,0,0]=4 14794 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 14795 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [1,0,0,1,0,0|2,0,0]=4 14796 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 14797 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [1,0,0,1,0,0|2,0,0]=4 14798 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [1,0,0,1,0,0|2,0,0]=4 14799 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 14800 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 14801 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [1,0,0,1,0,0|2,0,0]=4 14802 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [1,0,0,1,0,0|2,0,0]=4 14803 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [1,0,0,1,0,0|2,0,0]=4 14804 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|1,0,0]=3 14805 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|1,0,0]=3 14806 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [1,0,0,1,0,0|2,0,0]=4 14807 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [1,0,0,1,0,0|2,0,0]=4 14808 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 14809 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,0]=3 14810 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 14811 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|2,0,0]=4 14812 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [1,0,0,1,0,0|2,0,0]=4 14813 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [1,0,0,1,0,0|2,0,0]=4 14814 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,0]=3 14815 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,0]=3 14816 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 14817 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,0]=3 14818 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,0]=3 14819 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,0]=3 14820 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|2,0,0]=4 14821 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|2,0,0]=4 14822 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,0,0,1,0,0|2,0,0]=4 14823 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [1,0,0,1,0,0|2,0,0]=4 14824 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|2,0,0]=4 14825 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,0]=3 14826 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,0]=3 14827 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|1,0,0]=3 14828 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|1,0,0]=3 14829 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|2,0,0]=4 14830 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|2,0,0]=4 14831 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [1,0,0,1,0,0|2,0,0]=4 14832 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [1,0,0,1,0,0|2,0,0]=4 14833 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 14834 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 14835 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [1,0,0,1,0,0|2,0,0]=4 14836 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 14837 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [1,0,0,1,0,0|2,0,0]=4 14838 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 14839 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,0]=3 14840 B8R1.9 OCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211926 [1,0,0,1,0,0|2,0,0]=4 14841 B8R1.9 OCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000211926 [1,0,0,1,0,0|2,0,0]=4 14842 B8R1.9 OCCN[C@@H]1C[C@H]1F 34a_100025746932_100000211926 [1,0,0,1,0,0|2,0,0]=4 14843 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [1,0,0,1,0,0|2,0,0]=4 14844 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,1,0,0|1,0,0]=3 14845 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,1,0,0|1,0,0]=3 14846 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,1,0,0|1,0,0]=3 14847 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,1,0,0|1,0,0]=3 14848 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|2,0,0]=4 14849 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,1,0,0|1,0,0]=3 14850 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,1,0,0|1,0,0]=3 14851 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|2,0,0]=4 14852 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [1,0,0,1,0,0|2,0,0]=4 14853 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,1,0,0|1,0,0]=3 14854 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|2,0,0]=4 14855 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 14856 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,0]=3 14857 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,0]=3 14858 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,0]=3 14859 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|1,0,0]=3 14860 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 14861 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|2,0,0]=4 14862 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|2,0,0]=4 14863 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|1,0,0]=3 14864 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|1,0,0]=3 14865 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,0]=3 14866 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,0]=3 14867 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|1,0,0]=3 14868 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|1,0,0]=3 14869 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [1,0,0,1,0,0|2,0,0]=4 14870 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|2,0,0]=4 14871 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|2,0,0]=4 14872 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [1,0,0,1,0,0|2,0,0]=4 14873 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,0]=3 14874 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,0]=3 14875 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|1,0,0]=3 14876 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|1,0,0]=3 14877 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|2,0,0]=4 14878 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|2,0,0]=4 14879 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|2,0,0]=4 14880 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|2,0,0]=4 14881 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|2,0,0]=4 14882 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|2,0,0]=4 14883 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [1,0,0,1,0,0|2,0,0]=4 14884 B8R1.10 CSCNC1CCC1 2230a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 14885 B8R1.10 CSCNC1CCC1 34a_100000749019_100011218213 [1,0,0,1,0,0|2,0,0]=4 14886 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [1,0,0,1,0,0|2,0,0]=4 14887 B8R1.10 CSCSC1CCC1 62a_100011218213_100000749161 [1,0,0,1,0,0|2,0,0]=4 14888 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [1,0,0,1,0,0|2,0,0]=4 14889 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 14890 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [1,0,0,1,0,0|2,0,0]=4 14891 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [1,0,0,1,0,0|2,0,0]=4 14892 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [1,0,0,1,0,0|2,0,0]=4 14893 B8R1.10 FCCSC1CCC1 62a_100011217306_100000749161 [1,0,0,1,0,0|2,0,0]=4 14894 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [1,0,0,1,0,0|2,0,0]=4 14895 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [1,0,0,1,0,0|2,0,0]=4 14896 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|2,0,0]=4 14897 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [1,0,0,1,0,0|2,0,0]=4 14898 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [1,0,0,1,0,0|2,0,0]=4 14899 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [1,0,0,1,0,0|2,0,0]=4 14900 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [1,0,0,1,0,0|2,0,0]=4 14901 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [1,0,0,1,0,0|2,0,0]=4 14902 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [1,0,0,1,0,0|2,0,0]=4 14903 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [1,0,0,1,0,0|1,0,0]=3 14904 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|1,0,0]=3 14905 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|1,0,0]=3 14906 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|1,0,0]=3 14907 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|1,0,0]=3 14908 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [1,0,0,1,0,0|2,0,0]=4 14909 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [1,0,0,1,0,0|2,0,0]=4 14910 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,0]=3 14911 B8R1.10 OCCOC1CSC1 7a_100000072292_100000211926 [1,0,0,1,0,0|2,0,0]=4 14912 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|1,0,0]=3 14913 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [1,0,0,1,0,0|2,0,0]=4 14914 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|2,0,0]=4 14915 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 14916 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,0]=3 14917 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 14918 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 14919 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,0]=3 14920 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 14921 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 14922 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,0]=3 14923 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,0]=3 14924 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,0]=3 14925 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 14926 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,0]=3 14927 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,0]=3 14928 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 14929 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [1,0,0,1,0,0|2,0,0]=4 14930 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [1,0,0,1,0,0|2,0,0]=4 14931 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 14932 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 14933 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,0]=3 14934 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,0]=3 14935 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,0,0,1,0,0|2,0,0]=4 14936 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [1,0,0,1,0,0|2,0,0]=4 14937 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [1,0,0,1,0,0|2,0,0]=4 14938 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [1,0,0,1,0,0|2,0,0]=4 14939 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 14940 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,0]=3 14941 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [1,0,0,1,0,0|2,0,0]=4 14942 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|2,0,0]=4 14943 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|2,0,0]=4 14944 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|2,0,0]=4 14945 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [1,0,0,1,0,0|2,0,0]=4 14946 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [1,0,0,1,0,0|2,0,0]=4 14947 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|1,0,0]=3 14948 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|1,0,0]=3 14949 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 14950 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 14951 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|2,0,0]=4 14952 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [1,0,0,1,0,0|2,0,0]=4 14953 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 14954 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 14955 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,0]=3 14956 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [1,0,0,1,0,0|2,0,0]=4 14957 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|2,0,0]=4 14958 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|2,0,0]=4 14959 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [1,0,0,1,0,0|2,0,0]=4 14960 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [1,0,0,1,0,0|2,0,0]=4 14961 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|1,0,0]=3 14962 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|1,0,0]=3 14963 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 14964 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [1,0,0,1,0,0|2,0,0]=4 14965 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|1,0,0]=3 14966 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|1,0,0]=3 14967 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [1,0,0,1,0,0|1,0,0]=3 14968 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [1,0,0,1,0,0|1,0,0]=3 14969 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 14970 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 14971 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|2,0,0]=4 14972 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 14973 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 14974 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|2,0,0]=4 14975 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|2,0,0]=4 14976 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 14977 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [1,0,0,1,0,0|2,0,0]=4 14978 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 14979 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 14980 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,0]=3 14981 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 14982 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 14983 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|2,0,0]=4 14984 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 14985 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 14986 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,0]=3 14987 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 14988 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 14989 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|2,0,0]=4 14990 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [1,0,0,1,0,0|2,0,0]=4 14991 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [1,0,0,1,0,0|2,0,0]=4 14992 B8R1.36 BrCCOCC1CO1 34a_100000211926_102125554688 [1,0,0,1,0,0|2,0,0]=4 14993 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,0]=3 14994 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,0]=3 14995 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,0]=3 14996 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [1,0,0,1,0,0|1,0,0]=3 14997 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [1,0,0,1,0,0|1,0,0]=3 14998 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [1,0,0,1,0,0|1,0,0]=3 14999 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [1,0,0,1,0,0|1,0,0]=3 15000 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [1,0,0,1,0,0|1,0,0]=3 15001 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,0]=3 15002 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,0]=3 15003 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [1,0,0,1,0,0|1,0,0]=3 15004 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [1,0,0,1,0,0|1,0,0]=3 15005 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,0]=3 15006 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,0]=3 15007 B8R1.36 CCCSCC1CS1 62a_100000031435_100000210303 [1,0,0,1,0,0|1,1,0]=4 15008 B8R1.36 CCCSCC1CS1 62a_100000210303_100000031435 [1,0,0,1,0,0|1,1,0]=4 15009 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,0]=3 15010 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,0]=3 15011 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,0]=3 15012 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,0]=3 15013 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,0]=3 15014 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 15015 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,0]=3 15016 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,0]=3 15017 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,0]=3 15018 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,0]=3 15019 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|2,0,0]=4 15020 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,0]=3 15021 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,0]=3 15022 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,0]=3 15023 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,0]=3 15024 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,0]=3 15025 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,0]=3 15026 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,0]=3 15027 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,0]=3 15028 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|2,0,0]=4 15029 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|2,0,0]=4 15030 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|2,0,0]=4 15031 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|2,0,0]=4 15032 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|2,0,0]=4 15033 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|2,0,0]=4 15034 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|2,0,0]=4 15035 B8R1.36 COCSCC1CO1 62a_100000766300_102125554688 [1,0,0,1,0,0|2,0,0]=4 15036 B8R1.36 COCSCC1CO1 62a_102125554688_100000766300 [1,0,0,1,0,0|2,0,0]=4 15037 B8R1.36 COCSC[C@@H]1CO1 62a_100000745022_100000766300 [1,0,0,1,0,0|2,0,0]=4 15038 B8R1.36 COCSC[C@@H]1CO1 62a_100000766300_100000745022 [1,0,0,1,0,0|2,0,0]=4 15039 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,0]=3 15040 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,0]=3 15041 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [1,0,0,1,0,0|2,0,0]=4 15042 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [1,0,0,1,0,0|2,0,0]=4 15043 B8R1.36 CSCCSC1CC1 62a_100000212216_100000211595 [1,0,0,1,0,0|2,0,0]=4 15044 B8R1.36 CSCNCC1CC1 2230a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 15045 B8R1.36 CSCNCC1CC1 34a_100000735609_100011218213 [1,0,0,1,0,0|2,0,0]=4 15046 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [1,0,0,1,0,0|2,0,0]=4 15047 B8R1.36 CSCOC[C@@H]1CO1 34a_100000757423_100011218213 [1,0,0,1,0,0|2,0,0]=4 15048 B8R1.36 CSCSCC1CC1 62a_100000756562_100011218213 [1,0,0,1,0,0|2,0,0]=4 15049 B8R1.36 CSCSCC1CC1 62a_100011218213_100000742324 [1,0,0,1,0,0|2,0,0]=4 15050 B8R1.36 CSCSCC1CO1 62a_100011218213_102125554688 [1,0,0,1,0,0|2,0,0]=4 15051 B8R1.36 CSCSCC1CO1 62a_102125554688_100011218213 [1,0,0,1,0,0|2,0,0]=4 15052 B8R1.36 CSCSC[C@@H]1CO1 62a_100000745022_100011218213 [1,0,0,1,0,0|2,0,0]=4 15053 B8R1.36 CSCSC[C@@H]1CO1 62a_100011218213_100000745022 [1,0,0,1,0,0|2,0,0]=4 15054 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [1,0,0,1,0,0|2,0,0]=4 15055 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [1,0,0,1,0,0|2,0,0]=4 15056 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [1,0,0,1,0,0|2,0,0]=4 15057 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [1,0,0,1,0,0|2,0,0]=4 15058 B8R1.36 FCCCSC1CC1 62a_100011934791_100000211595 [1,0,0,1,0,0|2,0,0]=4 15059 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 15060 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [1,0,0,1,0,0|2,0,0]=4 15061 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [1,0,0,1,0,0|2,0,0]=4 15062 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [1,0,0,1,0,0|2,0,0]=4 15063 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [1,0,0,1,0,0|2,0,0]=4 15064 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [1,0,0,1,0,0|2,0,0]=4 15065 B8R1.36 FCCOC[C@@H]1CO1 34a_100000757423_100011217306 [1,0,0,1,0,0|2,0,0]=4 15066 B8R1.36 FCCSCC1CC1 62a_100000756562_100011217306 [1,0,0,1,0,0|2,0,0]=4 15067 B8R1.36 FCCSCC1CC1 62a_100011217306_100000742324 [1,0,0,1,0,0|2,0,0]=4 15068 B8R1.36 FCCSCC1CO1 62a_100011217306_102125554688 [1,0,0,1,0,0|2,0,0]=4 15069 B8R1.36 FCCSCC1CO1 62a_102125554688_100011217306 [1,0,0,1,0,0|2,0,0]=4 15070 B8R1.36 FCCSC[C@@H]1CO1 62a_100000745022_100011217306 [1,0,0,1,0,0|2,0,0]=4 15071 B8R1.36 FCCSC[C@@H]1CO1 62a_100011217306_100000745022 [1,0,0,1,0,0|2,0,0]=4 15072 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [1,0,0,1,0,0|2,0,0]=4 15073 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 15074 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 15075 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [1,0,0,1,0,0|2,0,0]=4 15076 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [1,0,0,1,0,0|2,0,0]=4 15077 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [1,0,0,1,0,0|2,0,0]=4 15078 B8R1.36 FCSCCC1CO1 62a_100000732470_100015361967 [1,0,0,1,0,0|2,0,0]=4 15079 B8R1.36 FCSCCC1CO1 62a_100015361967_100000732470 [1,0,0,1,0,0|2,0,0]=4 15080 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [1,0,0,1,0,0|2,0,0]=4 15081 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [1,0,0,1,0,0|2,0,0]=4 15082 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [1,0,0,1,0,0|2,0,0]=4 15083 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,0]=3 15084 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,0]=3 15085 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,0]=3 15086 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,0]=3 15087 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,0]=3 15088 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,0]=3 15089 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,0]=3 15090 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [1,0,0,1,0,0|2,0,0]=4 15091 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [1,0,0,1,0,0|2,0,0]=4 15092 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,0]=3 15093 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [1,0,0,1,0,0|2,0,0]=4 15094 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,0,0]=3 15095 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,0,0]=3 15096 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [1,0,0,1,0,0|2,0,0]=4 15097 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [1,0,0,1,0,0|2,0,0]=4 15098 B8R1.36 OCCSCC1CS1 62a_100000031435_100000211926 [1,0,0,1,0,0|2,0,0]=4 15099 B8R1.36 OCCSCC1CS1 62a_100000211926_100000031435 [1,0,0,1,0,0|2,0,0]=4 15100 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [1,0,0,1,0,0|2,0,0]=4 15101 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [1,0,0,1,0,0|2,0,0]=4 15102 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|2,0,0]=4 15103 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,0]=3 15104 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,0]=3 15105 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|2,0,0]=4 15106 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [1,0,0,1,0,0|1,0,0]=3 15107 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [1,0,0,1,0,0|1,0,0]=3 15108 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [1,0,0,1,0,0|2,0,0]=4 15109 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [1,0,0,1,0,0|2,0,0]=4 15110 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [1,0,0,1,0,0|2,0,0]=4 15111 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 15112 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|2,0,0]=4 15113 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|2,0,0]=4 15114 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,0,0,1,0,0|2,0,0]=4 15115 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [1,0,0,1,0,0|1,0,0]=3 15116 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [1,0,0,1,0,0|1,0,0]=3 15117 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|2,0,0]=4 15118 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [1,0,0,1,0,0|2,0,0]=4 15119 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [1,0,0,1,0,0|1,0,0]=3 15120 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [1,0,0,1,0,0|2,0,0]=4 15121 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [1,0,0,1,0,0|2,0,0]=4 15122 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [1,0,0,1,0,0|2,0,0]=4 15123 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,1,0,0|1,0,0]=3 15124 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,1,0,0|1,0,0]=3 15125 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,0,0,1,0,0|2,0,0]=4 15126 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,0,0,1,0,0|2,0,0]=4 15127 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15128 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15129 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 15130 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15131 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15132 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 15133 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [1,0,0,1,0,0|2,0,0]=4 15134 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [1,0,0,1,0,0|2,0,0]=4 15135 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [1,0,0,1,0,0|2,0,0]=4 15136 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,1,0,0|1,0,0]=3 15137 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,1,0,0|1,0,0]=3 15138 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,0,0,1,0,0|2,0,0]=4 15139 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,0,0,1,0,0|2,0,0]=4 15140 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 15141 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 15142 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [1,0,0,1,0,0|2,0,0]=4 15143 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [1,0,0,1,0,0|2,0,0]=4 15144 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [1,0,0,1,0,0|2,0,0]=4 15145 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [1,0,0,1,0,0|2,0,0]=4 15146 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [1,0,0,1,0,0|1,0,0]=3 15147 B8R1.6 CCNC1CC(C1)F 2230a_100016993743_100000210202 [1,0,0,1,0,0|2,0,0]=4 15148 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [1,0,0,1,0,0|1,0,0]=3 15149 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [1,0,0,1,0,0|1,0,0]=3 15150 B8R1.6 COCC1CC(C1)Cl 34a_100009874164_200000210301 [1,0,0,1,0,0|2,0,0]=4 15151 B8R1.6 COCN1CC(C1)O 269982a_100000749847_100000766300 [1,0,0,1,0,0|2,0,0]=4 15152 B8R1.6 CSCN1CC(C1)O 269982a_100000749847_100011218213 [1,0,0,1,0,0|2,0,0]=4 15153 B8R1.6 OC1CN(C1)CCF 269982a_100000749847_100011217306 [1,0,0,1,0,0|2,0,0]=4 15154 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [1,0,0,1,0,0|2,0,0]=4 15155 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [1,0,0,1,0,0|1,0,0]=3 15156 B8R1.6 [13CH3]OCC1CC(C1)Cl 34a_100009874164_200025704644 [1,0,0,1,0,0|2,0,0]=4 15157 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,2]=4 15158 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,2]=4 15159 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [1,0,0,1,0,0|2,0,0]=4 15160 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [1,0,0,1,0,0|2,0,0]=4 15161 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15162 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 15163 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15164 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 15165 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|2,0,0]=4 15166 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 15167 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15168 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15169 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 15170 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,2]=4 15171 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 15172 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 15173 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 15174 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 15175 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 15176 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 15177 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 15178 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 15179 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 15180 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 15181 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [1,0,0,1,0,0|2,0,0]=4 15182 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [1,0,0,1,0,0|2,0,0]=4 15183 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,2]=4 15184 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,2]=4 15185 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [1,0,0,1,0,0|2,0,0]=4 15186 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [1,0,0,1,0,0|2,0,0]=4 15187 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [1,0,0,1,0,0|2,0,0]=4 15188 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [1,0,0,1,0,0|2,0,0]=4 15189 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [1,0,0,1,0,0|2,0,0]=4 15190 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [1,0,0,1,0,0|2,0,0]=4 15191 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [1,0,0,1,0,0|2,0,0]=4 15192 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [1,0,0,1,0,0|1,0,0]=3 15193 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 15194 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15195 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 15196 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15197 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 15198 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15199 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15200 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 15201 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [1,0,0,1,0,0|1,0,0]=3 15202 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,2]=4 15203 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,2]=4 15204 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,2]=4 15205 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [1,0,0,1,0,0|2,0,0]=4 15206 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [1,0,0,1,0,0|2,0,0]=4 15207 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [1,0,0,1,0,0|2,0,0]=4 15208 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [1,0,0,1,0,0|2,0,0]=4 15209 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [1,0,0,1,0,0|2,0,0]=4 15210 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [1,0,0,1,0,0|2,0,0]=4 15211 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [1,0,0,1,0,0|2,0,0]=4 15212 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [1,0,0,1,0,0|2,0,0]=4 15213 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [1,0,0,1,0,0|2,0,0]=4 15214 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [1,0,0,1,0,0|2,0,0]=4 15215 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [1,0,0,1,0,0|2,0,0]=4 15216 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [1,0,0,1,0,0|2,0,0]=4 15217 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [1,0,0,1,0,0|2,0,0]=4 15218 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [1,0,0,1,0,0|2,0,0]=4 15219 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [1,0,0,1,0,0|1,0,0]=3 15220 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [1,0,0,1,0,0|1,0,0]=3 15221 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [1,0,0,1,0,0|1,0,0]=3 15222 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 15223 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 15224 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [1,0,0,1,0,0|2,0,0]=4 15225 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [1,0,0,1,0,0|2,0,0]=4 15226 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [1,0,0,1,0,0|1,0,0]=3 15227 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [1,0,0,1,0,0|1,0,0]=3 15228 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,2]=4 15229 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,2]=4 15230 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,2]=4 15231 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|0,0,2]=4 15232 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|0,0,2]=4 15233 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|0,0,2]=4 15234 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15235 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15236 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [0,1,0,1,0,0|2,0,0]=4 15237 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15238 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15239 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [0,1,0,1,0,0|2,0,0]=4 15240 B10R1.13 CC(C)N1CCC(CC1)F 2230a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 15241 B10R1.13 CC(C)N1CCC(CC1)F 269982a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 15242 B10R1.13 CC(C)N1CCC(CC1)F 34a_100015193889_100000210206 [0,1,0,1,0,0|2,0,0]=4 15243 B10R1.13 CC(C)N1CCC(CC1)O 2230a_100025773856_100000210206 [0,1,0,1,0,0|2,0,0]=4 15244 B10R1.13 CC(C)N1CCC(CC1)O 269982a_100025773856_100000210206 [0,1,0,1,0,0|2,0,0]=4 15245 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,1,0,1,0,0|1,0,0]=3 15246 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,1,0,1,0,0|1,0,0]=3 15247 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,1,0,1,0,0|1,0,0]=3 15248 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,1,0,1,0,0|1,0,0]=3 15249 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,1,0,1,0,0|1,0,0]=3 15250 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,1,0,1,0,0|1,0,0]=3 15251 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,1,0,1,0,0|2,0,0]=4 15252 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,1,0,1,0,0|2,0,0]=4 15253 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 15254 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 15255 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [0,1,0,1,0,0|2,0,0]=4 15256 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [0,1,0,1,0,0|2,0,0]=4 15257 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [0,1,0,1,0,0|2,0,0]=4 15258 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [0,1,0,1,0,0|2,0,0]=4 15259 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [0,1,0,1,0,0|2,0,0]=4 15260 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [0,1,0,1,0,0|2,0,0]=4 15261 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|0,0,2]=4 15262 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|0,0,2]=4 15263 B10R1.14 CC(CO)N1CCC(C1)O 2230a_100011215560_100012180447 [0,1,0,1,0,0|2,0,0]=4 15264 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|0,0,1]=3 15265 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,1,0,0|1,0,1]=4 15266 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,1,0,0|1,0,1]=4 15267 B10R1.14 CCC(C)N1CCC(C1)O 2230a_100011215560_100000758301 [0,1,0,1,0,0|1,0,0]=3 15268 B10R1.14 CCC(C)N1CCC(C1)O 269982a_100011215560_100000758301 [0,1,0,1,0,0|1,0,0]=3 15269 B10R1.14 CCC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000758301 [0,1,0,1,0,0|2,0,0]=4 15270 B10R1.14 CCC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000758301 [0,1,0,1,0,0|2,0,0]=4 15271 B10R1.14 CCC(C)N1CC[C@@H](C1)F 34a_100015203821_100011215416 [0,1,0,1,0,0|2,0,0]=4 15272 B10R1.14 CCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000758301 [0,1,0,1,0,0|2,0,0]=4 15273 B10R1.14 CCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000758301 [0,1,0,1,0,0|2,0,0]=4 15274 B10R1.14 CCC(C)N1CC[C@H](C1)C 34a_100016987628_100011215416 [0,1,0,1,0,0|2,0,0]=4 15275 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 15276 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 15277 B10R1.14 COC(C)N1CCC(C1)O 269982a_100011215560_100009879195 [0,1,0,1,0,0|2,0,0]=4 15278 B10R1.14 C[C@H](CO)N1CCC(C1)O 269982a_100011215560_100016084084 [0,1,0,1,0,0|2,0,0]=4 15279 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|1,0,1]=4 15280 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [0,1,0,1,0,0|2,0,0]=4 15281 B10R1.54 C=C(C)CN1CCC(C1)O 2230a_100011215560_100000748629 [0,1,0,1,0,0|1,0,1]=4 15282 B10R1.54 C=C(C)CN1CCC(C1)O 269982a_100011215560_100000748629 [0,1,0,1,0,0|1,0,1]=4 15283 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,1,0,0|1,0,1]=4 15284 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,1,0,0|1,0,1]=4 15285 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [0,1,0,1,0,0|1,0,0]=3 15286 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [0,1,0,1,0,0|1,0,0]=3 15287 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [0,1,0,1,0,0|1,0,0]=3 15288 B10R1.54 CC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000210760 [0,1,0,1,0,0|2,0,0]=4 15289 B10R1.54 CC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000210624 [0,1,0,1,0,0|2,0,0]=4 15290 B10R1.54 CC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000210432 [0,1,0,1,0,0|2,0,0]=4 15291 B10R1.54 CC(C)CN1CC[C@@H](C1)F 34a_100015203821_100000210624 [0,1,0,1,0,0|2,0,0]=4 15292 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [0,1,0,1,0,0|2,0,0]=4 15293 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [0,1,0,1,0,0|2,0,0]=4 15294 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [0,1,0,1,0,0|2,0,0]=4 15295 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [0,1,0,1,0,0|2,0,0]=4 15296 B10R1.54 CC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210206 [0,1,0,1,0,0|1,0,0]=3 15297 B10R1.54 CC(O)CN1CCC(C1)O 2230a_100011215560_100011218427 [0,1,0,1,0,0|1,0,0]=3 15298 B10R1.54 CC(O)CN1CCC(C1)O 269982a_100011215560_100011218427 [0,1,0,1,0,0|1,0,0]=3 15299 B10R1.54 CC(O)CN1CC[C@@H](C1)F 2230a_100015203821_100011218427 [0,1,0,1,0,0|1,0,0]=3 15300 B10R1.54 CC(O)CN1CC[C@@H](C1)F 269982a_100015203821_100011218427 [0,1,0,1,0,0|1,0,0]=3 15301 B10R1.54 CC(O)CN1CC[C@@H](C1)F 34a_100015203821_100011218427 [0,1,0,1,0,0|1,0,0]=3 15302 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [0,1,0,1,0,0|1,0,0]=3 15303 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [0,1,0,1,0,0|1,0,0]=3 15304 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [0,1,0,1,0,0|1,0,0]=3 15305 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,1,0,1,0,0|2,0,0]=4 15306 B10R1.54 C[C@@H](O)CN1CCC(C1)O 2230a_100011215560_100009817552 [0,1,0,1,0,0|1,0,0]=3 15307 B10R1.54 C[C@@H](O)CN1CCC(C1)O 269982a_100011215560_100009817552 [0,1,0,1,0,0|1,0,0]=3 15308 B10R1.54 C[C@@H](O)CN1CC[C@@H](C1)F 2230a_100015203821_100009817552 [0,1,0,1,0,0|1,0,0]=3 15309 B10R1.54 C[C@@H](O)CN1CC[C@@H](C1)F 269982a_100015203821_100009817552 [0,1,0,1,0,0|1,0,0]=3 15310 B10R1.54 C[C@@H](O)CN1CC[C@@H](C1)F 34a_100015203821_100009817552 [0,1,0,1,0,0|1,0,0]=3 15311 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [0,1,0,1,0,0|1,0,0]=3 15312 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [0,1,0,1,0,0|1,0,0]=3 15313 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [0,1,0,1,0,0|1,0,0]=3 15314 B10R1.54 OC1CCN(C1)CC(F)F 2230a_100011215560_100011934356 [0,1,0,1,0,0|2,0,0]=4 15315 B10R1.54 OC1CCN(C1)CC(F)F 269982a_100011215560_100011934356 [0,1,0,1,0,0|2,0,0]=4 15316 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,1,0,1,0,0|1,0,1]=4 15317 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,1,0,1,0,0|1,0,1]=4 15318 B10R1.73 CC(C)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210312 [0,1,0,1,0,0|2,0,0]=4 15319 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210312 [0,1,0,1,0,0|2,0,0]=4 15320 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210312 [0,1,0,1,0,0|2,0,0]=4 15321 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [0,1,0,1,0,0|1,0,0]=3 15322 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [0,1,0,1,0,0|1,0,0]=3 15323 B10R1.73 CC(O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012276601 [0,1,0,1,0,0|1,0,0]=3 15324 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100012276601 [0,1,0,1,0,0|1,0,0]=3 15325 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012276601 [0,1,0,1,0,0|1,0,0]=3 15326 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,1,0,1,0,0|0,0,0]=2 15327 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,1,0,1,0,0|0,0,0]=2 15328 B10R1.73 CC1CC1COCC(F)F 34a_100000744939_100011934356 [0,1,0,1,0,0|2,0,0]=4 15329 B10R1.73 CC1CC1COCC(F)F 7a_100000744939_100011934356 [0,1,0,1,0,0|2,0,0]=4 15330 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,1,0,1,0,0|0,0,0]=2 15331 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,1,0,1,0,0|0,0,0]=2 15332 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210760 [0,1,0,1,0,0|2,0,0]=4 15333 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210624 [0,1,0,1,0,0|2,0,0]=4 15334 B10R1.80 CC(C)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000210432 [0,1,0,1,0,0|2,0,0]=4 15335 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218427 [0,1,0,1,0,0|1,0,0]=3 15336 B10R1.80 CC(O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218427 [0,1,0,1,0,0|1,0,0]=3 15337 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009817552 [0,1,0,1,0,0|1,0,0]=3 15338 B10R1.80 C[C@@H](O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009817552 [0,1,0,1,0,0|1,0,0]=3 15339 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [0,1,0,1,0,0|1,0,1]=4 15340 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [0,1,0,1,0,0|1,0,1]=4 15341 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|0,0,2]=4 15342 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,1,0,1,0,0|1,0,0]=3 15343 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,1,0,1,0,0|1,0,0]=3 15344 B10R1.117 CC(C)OCN1CCC1C 269982a_100000755817_100000709892 [0,1,0,1,0,0|2,0,0]=4 15345 B10R1.117 CC(C)OCN1CCC1C 34a_100000755817_100000709892 [0,1,0,1,0,0|2,0,0]=4 15346 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|0,0,0]=2 15347 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|0,0,0]=2 15348 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|1,0,1]=4 15349 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|1,0,1]=4 15350 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|1,0,1]=4 15351 B10R1.117 CC1CCN1CCN(C)C 269982a_100000755817_100000755713 [0,1,0,1,0,0|2,0,0]=4 15352 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|1,0,1]=4 15353 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|1,0,1]=4 15354 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [0,1,0,1,0,0|1,0,1]=4 15355 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [0,1,0,1,0,0|1,0,1]=4 15356 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,1,0,1,0,0|1,0,1]=4 15357 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,1,0,1,0,0|1,0,1]=4 15358 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [0,1,0,1,0,0|1,0,1]=4 15359 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [0,1,0,1,0,0|1,0,1]=4 15360 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [0,1,0,1,0,0|1,0,1]=4 15361 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,1,0,1,0,0|1,0,1]=4 15362 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,1,0,1,0,0|1,0,1]=4 15363 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [0,1,0,1,0,0|1,0,1]=4 15364 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [0,1,0,1,0,0|1,0,1]=4 15365 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|0,0,2]=4 15366 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|0,0,2]=4 15367 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|0,0,2]=4 15368 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|0,0,2]=4 15369 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,1,0,1,0,0|1,0,0]=3 15370 B10R1.127 CC(Br)CCOC1COC1 34a_100009893172_100009818527 [0,1,0,1,0,0|2,0,0]=4 15371 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [0,1,0,1,0,0|1,0,0]=3 15372 B10R1.127 CC(Br)COCC1CCO1 34a_100012180447_100000103362 [0,1,0,1,0,0|2,0,0]=4 15373 B10R1.127 CC(Br)COCC1COC1 34a_100012180447_100010264016 [0,1,0,1,0,0|2,0,0]=4 15374 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,1,0,1,0,0|1,0,0]=3 15375 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [0,1,0,1,0,0|1,0,0]=3 15376 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [0,1,0,1,0,0|1,0,0]=3 15377 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [0,1,0,1,0,0|1,0,0]=3 15378 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [0,1,0,1,0,0|1,0,0]=3 15379 B10R1.127 CC(C)CCNC1COC1 2230a_100016991112_100000210312 [0,1,0,1,0,0|2,0,0]=4 15380 B10R1.127 CC(C)CCNC1COC1 269862a_100016991112_100000185833 [0,1,0,1,0,0|2,0,0]=4 15381 B10R1.127 CC(C)CCNC1CSC1 269862a_100016994217_100000185833 [0,1,0,1,0,0|2,0,0]=4 15382 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,1,0,1,0,0|1,0,0]=3 15383 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,1,0,1,0,0|1,0,0]=3 15384 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [0,1,0,1,0,0|2,0,0]=4 15385 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [0,1,0,1,0,0|2,0,0]=4 15386 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [0,1,0,1,0,0|2,0,0]=4 15387 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [0,1,0,1,0,0|1,0,0]=3 15388 B10R1.127 CC(C)CCSC1COC1 62a_100000210312_100009818527 [0,1,0,1,0,0|2,0,0]=4 15389 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [0,1,0,1,0,0|1,0,0]=3 15390 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [0,1,0,1,0,0|1,0,0]=3 15391 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [0,1,0,1,0,0|1,0,0]=3 15392 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [0,1,0,1,0,0|1,0,0]=3 15393 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [0,1,0,1,0,0|1,0,0]=3 15394 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [0,1,0,1,0,0|1,0,0]=3 15395 B10R1.127 CC(C)CNCC1CCO1 2230a_100000210953_100000103362 [0,1,0,1,0,0|2,0,0]=4 15396 B10R1.127 CC(C)CNCC1CCO1 34a_100000210953_100000103362 [0,1,0,1,0,0|2,0,0]=4 15397 B10R1.127 CC(C)CNCC1COC1 2230a_100000210953_100010264016 [0,1,0,1,0,0|2,0,0]=4 15398 B10R1.127 CC(C)CNCC1COC1 2230a_100015281925_100000210760 [0,1,0,1,0,0|2,0,0]=4 15399 B10R1.127 CC(C)CNCC1COC1 270004a_100015281925_100000210432 [0,1,0,1,0,0|2,0,0]=4 15400 B10R1.127 CC(C)CNCC1COC1 34a_100000210953_100010264016 [0,1,0,1,0,0|2,0,0]=4 15401 B10R1.127 CC(C)CNCC1COC1 34a_100015281925_100000210624 [0,1,0,1,0,0|2,0,0]=4 15402 B10R1.127 CC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000210760 [0,1,0,1,0,0|2,0,0]=4 15403 B10R1.127 CC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000210432 [0,1,0,1,0,0|2,0,0]=4 15404 B10R1.127 CC(C)CNC[C@@H]1CCO1 34a_100020831831_100000210624 [0,1,0,1,0,0|2,0,0]=4 15405 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [0,1,0,1,0,0|1,0,0]=3 15406 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [0,1,0,1,0,0|1,0,0]=3 15407 B10R1.127 CC(C)COCC1CCO1 34a_100000039022_100000210624 [0,1,0,1,0,0|2,0,0]=4 15408 B10R1.127 CC(C)COCC1CCO1 34a_100000210257_100000103362 [0,1,0,1,0,0|2,0,0]=4 15409 B10R1.127 CC(C)COCC1CNC1 34a_100016987283_100000210624 [0,1,0,1,0,0|2,0,0]=4 15410 B10R1.127 CC(C)COCC1COC1 34a_100000060846_100000210624 [0,1,0,1,0,0|2,0,0]=4 15411 B10R1.127 CC(C)COCC1COC1 34a_100000210257_100010264016 [0,1,0,1,0,0|2,0,0]=4 15412 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [0,1,0,1,0,0|1,0,0]=3 15413 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [0,1,0,1,0,0|1,0,0]=3 15414 B10R1.127 CC(C)CSCC1CCO1 62a_100000103362_100000210760 [0,1,0,1,0,0|2,0,0]=4 15415 B10R1.127 CC(C)CSCC1CCO1 62a_100000210624_100000103362 [0,1,0,1,0,0|2,0,0]=4 15416 B10R1.127 CC(C)CSCC1COC1 62a_100000210624_100010264016 [0,1,0,1,0,0|2,0,0]=4 15417 B10R1.127 CC(C)CSCC1COC1 62a_100010264016_100000210760 [0,1,0,1,0,0|2,0,0]=4 15418 B10R1.127 CC(C)OCCC1COC1 34a_100009855314_100000210206 [0,1,0,1,0,0|2,0,0]=4 15419 B10R1.127 CC(C)OCCN1CCC1 269982a_100000754969_100000211751 [0,1,0,1,0,0|2,0,0]=4 15420 B10R1.127 CC(C)OCNC1CCC1 2230a_100000749019_100000709892 [0,1,0,1,0,0|2,0,0]=4 15421 B10R1.127 CC(C)OCNC1CCC1 34a_100000749019_100000709892 [0,1,0,1,0,0|2,0,0]=4 15422 B10R1.127 CC(C)OCOC1CCC1 34a_100000748187_100000709892 [0,1,0,1,0,0|2,0,0]=4 15423 B10R1.127 CC(C)OCSC1CCC1 62a_100000709892_100000749161 [0,1,0,1,0,0|2,0,0]=4 15424 B10R1.127 CC(C)SCCN1CCC1 269982a_100000754969_100000730970 [0,1,0,1,0,0|2,0,0]=4 15425 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [0,1,0,1,0,0|1,0,0]=3 15426 B10R1.127 CC(F)COCC1CCO1 34a_100015925927_100000103362 [0,1,0,1,0,0|2,0,0]=4 15427 B10R1.127 CC(F)COCC1COC1 34a_100015925927_100010264016 [0,1,0,1,0,0|2,0,0]=4 15428 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|0,0,0]=2 15429 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,1,0,1,0,0|0,0,0]=2 15430 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,1,0,1,0,0|0,0,0]=2 15431 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,1,0,1,0,0|0,0,0]=2 15432 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [0,1,0,1,0,0|1,0,0]=3 15433 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|0,0,0]=2 15434 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [0,1,0,1,0,0|1,0,0]=3 15435 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,1,0,1,0,0|0,0,0]=2 15436 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [0,1,0,1,0,0|1,0,0]=3 15437 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,1,0,1,0,0|0,0,0]=2 15438 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,1,0,1,0,0|0,0,0]=2 15439 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,1,0,1,0,0|0,0,0]=2 15440 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|0,0,0]=2 15441 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,1,0,1,0,0|0,0,0]=2 15442 B10R1.127 CC(O)CNCC1CCO1 2230a_100000210904_100000103362 [0,1,0,1,0,0|1,0,0]=3 15443 B10R1.127 CC(O)CNCC1CCO1 34a_100000210904_100000103362 [0,1,0,1,0,0|1,0,0]=3 15444 B10R1.127 CC(O)CNCC1COC1 2230a_100000210904_100010264016 [0,1,0,1,0,0|1,0,0]=3 15445 B10R1.127 CC(O)CNCC1COC1 2230a_100015281925_100011218427 [0,1,0,1,0,0|1,0,0]=3 15446 B10R1.127 CC(O)CNCC1COC1 34a_100000210904_100010264016 [0,1,0,1,0,0|1,0,0]=3 15447 B10R1.127 CC(O)CNCC1COC1 34a_100015281925_100011218427 [0,1,0,1,0,0|1,0,0]=3 15448 B10R1.127 CC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218427 [0,1,0,1,0,0|1,0,0]=3 15449 B10R1.127 CC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218427 [0,1,0,1,0,0|1,0,0]=3 15450 B10R1.127 CC(O)CNN=C1CCC1 4a_200000730056_100000241760 [0,1,0,1,0,0|1,0,1]=4 15451 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,1,0,1,0,0|0,0,0]=2 15452 B10R1.127 CC(O)COCC1CCO1 34a_100000039022_100011218427 [0,1,0,1,0,0|1,0,0]=3 15453 B10R1.127 CC(O)COCC1CNC1 34a_100016987283_100011218427 [0,1,0,1,0,0|1,0,0]=3 15454 B10R1.127 CC(O)COCC1COC1 34a_100000060846_100011218427 [0,1,0,1,0,0|1,0,0]=3 15455 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,1,0,1,0,0|0,0,0]=2 15456 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,1,0,1,0,0|0,0,0]=2 15457 B10R1.127 CC(O)CSCC1CCO1 62a_100000103362_100011218427 [0,1,0,1,0,0|1,0,0]=3 15458 B10R1.127 CC(O)CSCC1CCO1 62a_100011218427_100000103362 [0,1,0,1,0,0|1,0,0]=3 15459 B10R1.127 CC(O)CSCC1COC1 62a_100010264016_100011218427 [0,1,0,1,0,0|1,0,0]=3 15460 B10R1.127 CC(O)CSCC1COC1 62a_100011218427_100010264016 [0,1,0,1,0,0|1,0,0]=3 15461 B10R1.127 CN(C)CCCN1CCC1 269982a_100000754969_100000757444 [0,1,0,1,0,0|2,0,0]=4 15462 B10R1.127 CN(C)CCNC1CCC1 270004a_100000210585_100000241760 [0,1,0,1,0,0|2,0,0]=4 15463 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [0,1,0,1,0,0|1,0,0]=3 15464 B10R1.127 C[C@@H](Cl)COCC1CCO1 34a_100016084084_100000103362 [0,1,0,1,0,0|2,0,0]=4 15465 B10R1.127 C[C@@H](Cl)COCC1COC1 34a_100016084084_100010264016 [0,1,0,1,0,0|2,0,0]=4 15466 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,1,0,1,0,0|1,0,0]=3 15467 B10R1.127 C[C@@H](N)CCOC1COC1 34a_100000706166_100009818527 [0,1,0,1,0,0|2,0,0]=4 15468 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [0,1,0,1,0,0|1,0,0]=3 15469 B10R1.127 C[C@@H](N)COCC1CCO1 34a_100000737577_100000103362 [0,1,0,1,0,0|2,0,0]=4 15470 B10R1.127 C[C@@H](N)COCC1COC1 34a_100000737577_100010264016 [0,1,0,1,0,0|2,0,0]=4 15471 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,1,0,1,0,0|0,0,0]=2 15472 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,1,0,1,0,0|0,0,0]=2 15473 B10R1.127 C[C@@H](O)CNCC1COC1 2230a_100015281925_100009817552 [0,1,0,1,0,0|1,0,0]=3 15474 B10R1.127 C[C@@H](O)CNCC1COC1 34a_100015281925_100009817552 [0,1,0,1,0,0|1,0,0]=3 15475 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009817552 [0,1,0,1,0,0|1,0,0]=3 15476 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009817552 [0,1,0,1,0,0|1,0,0]=3 15477 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,1,0,1,0,0|0,0,0]=2 15478 B10R1.127 C[C@@H](O)COCC1CCO1 34a_100000039022_100009817552 [0,1,0,1,0,0|1,0,0]=3 15479 B10R1.127 C[C@@H](O)COCC1CNC1 34a_100016987283_100009817552 [0,1,0,1,0,0|1,0,0]=3 15480 B10R1.127 C[C@@H](O)COCC1COC1 34a_100000060846_100009817552 [0,1,0,1,0,0|1,0,0]=3 15481 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,1,0,1,0,0|0,0,0]=2 15482 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,1,0,1,0,0|0,0,0]=2 15483 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100000103362_100009817552 [0,1,0,1,0,0|1,0,0]=3 15484 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100009817552_100000103362 [0,1,0,1,0,0|1,0,0]=3 15485 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100009817552_100010264016 [0,1,0,1,0,0|1,0,0]=3 15486 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100010264016_100009817552 [0,1,0,1,0,0|1,0,0]=3 15487 B10R1.127 FC(F)CCOC1CCC1 34a_100103093639_100000749161 [0,1,0,1,0,0|2,0,0]=4 15488 B10R1.127 FC(F)CNCC1CCC1 2230a_100000738700_100011934356 [0,1,0,1,0,0|2,0,0]=4 15489 B10R1.127 FC(F)CNCC1CCC1 34a_100000738700_100011934356 [0,1,0,1,0,0|2,0,0]=4 15490 B10R1.127 FC(F)CNCC1CCC1 34a_100000765723_100000763275 [0,1,0,1,0,0|2,0,0]=4 15491 B10R1.127 FC(F)COCC1CCC1 34a_100000743014_100000763275 [0,1,0,1,0,0|2,0,0]=4 15492 B10R1.127 FC(F)COCC1CCC1 34a_100000760304_100011934356 [0,1,0,1,0,0|2,0,0]=4 15493 B10R1.127 FC(F)CSCC1CCC1 62a_100000763275_100011934356 [0,1,0,1,0,0|2,0,0]=4 15494 B10R1.127 FC(F)CSCC1CCC1 62a_100011934356_100000763275 [0,1,0,1,0,0|2,0,0]=4 15495 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|1,0,1]=4 15496 B10R1.150 CC(CO)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100012180447 [0,1,0,1,0,0|2,0,0]=4 15497 B10R1.150 CCC(=O)CN1CC(C1)O 269982a_100000749847_100000747405 [0,1,0,1,0,0|1,0,1]=4 15498 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [0,1,0,1,0,0|1,0,1]=4 15499 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [0,1,0,1,0,0|1,0,1]=4 15500 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [0,1,0,1,0,0|1,0,1]=4 15501 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [0,1,0,1,0,0|1,0,1]=4 15502 B10R1.150 CCC(C)CN1CC(C1)C 2230a_100000702820_100000748023 [0,1,0,1,0,0|2,0,0]=4 15503 B10R1.150 CCC(C)CN1CC(C1)C 269982a_100000702820_100000748023 [0,1,0,1,0,0|2,0,0]=4 15504 B10R1.150 CCC(C)CN1CC(C1)C 270004a_100000702820_100000243153 [0,1,0,1,0,0|2,0,0]=4 15505 B10R1.150 CCC(C)CN1CC(C1)C 34a_100000702820_100000748023 [0,1,0,1,0,0|2,0,0]=4 15506 B10R1.150 CCC(C)CN1CC(C1)F 2230a_100000690557_100000748023 [0,1,0,1,0,0|2,0,0]=4 15507 B10R1.150 CCC(C)CN1CC(C1)F 269982a_100000690557_100000748023 [0,1,0,1,0,0|2,0,0]=4 15508 B10R1.150 CCC(C)CN1CC(C1)F 270004a_100000690557_100000243153 [0,1,0,1,0,0|2,0,0]=4 15509 B10R1.150 CCC(C)CN1CC(C1)F 34a_100000690557_100000748023 [0,1,0,1,0,0|2,0,0]=4 15510 B10R1.150 CCC(C)CN1CC(C1)O 269982a_100000749847_100000748023 [0,1,0,1,0,0|1,0,0]=3 15511 B10R1.150 CCC(C)NC1CC(C1)F 2230a_100016993743_100000758301 [0,1,0,1,0,0|2,0,0]=4 15512 B10R1.150 CCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000758301 [0,1,0,1,0,0|1,0,0]=3 15513 B10R1.150 CCC(O)CN1CC(C1)C 2230a_100000702820_100011218378 [0,1,0,1,0,0|2,0,0]=4 15514 B10R1.150 CCC(O)CN1CC(C1)C 269982a_100000702820_100011218378 [0,1,0,1,0,0|2,0,0]=4 15515 B10R1.150 CCC(O)CN1CC(C1)C 34a_100000702820_100011218378 [0,1,0,1,0,0|2,0,0]=4 15516 B10R1.150 CCC(O)CN1CC(C1)F 2230a_100000690557_100011218378 [0,1,0,1,0,0|2,0,0]=4 15517 B10R1.150 CCC(O)CN1CC(C1)F 269982a_100000690557_100011218378 [0,1,0,1,0,0|2,0,0]=4 15518 B10R1.150 CCC(O)CN1CC(C1)F 34a_100000690557_100011218378 [0,1,0,1,0,0|2,0,0]=4 15519 B10R1.150 CCC(O)CN1CC(C1)O 269982a_100000749847_100011218378 [0,1,0,1,0,0|1,0,0]=3 15520 B10R1.150 CC[C@H](C)CN1CC(C1)C 2230a_100000702820_100009816398 [0,1,0,1,0,0|2,0,0]=4 15521 B10R1.150 CC[C@H](C)CN1CC(C1)C 269982a_100000702820_100009816398 [0,1,0,1,0,0|2,0,0]=4 15522 B10R1.150 CC[C@H](C)CN1CC(C1)C 34a_100000702820_100009816398 [0,1,0,1,0,0|2,0,0]=4 15523 B10R1.150 CC[C@H](C)CN1CC(C1)F 2230a_100000690557_100009816398 [0,1,0,1,0,0|2,0,0]=4 15524 B10R1.150 CC[C@H](C)CN1CC(C1)F 269982a_100000690557_100009816398 [0,1,0,1,0,0|2,0,0]=4 15525 B10R1.150 CC[C@H](C)CN1CC(C1)F 34a_100000690557_100009816398 [0,1,0,1,0,0|2,0,0]=4 15526 B10R1.150 CC[C@H](C)CN1CC(C1)O 269982a_100000749847_100009816398 [0,1,0,1,0,0|1,0,0]=3 15527 B10R1.150 C[C@@H](CO)CN1CC(C1)O 269982a_100000749847_100000059175 [0,1,0,1,0,0|2,0,0]=4 15528 B10R1.153 C#CC(C)NCCC1CC1 2230a_100000707721_100000694398 [0,1,0,1,0,0|2,0,0]=4 15529 B10R1.153 C#CC(C)NCCC1CC1 34a_100000707721_100000694398 [0,1,0,1,0,0|2,0,0]=4 15530 B10R1.153 C#CC(C)NCCC1CC1 34a_100000764129_200000035995 [0,1,0,1,0,0|2,0,0]=4 15531 B10R1.153 C#CC(C)OCCC1CC1 34a_100000754188_200000035995 [0,1,0,1,0,0|2,0,0]=4 15532 B10R1.153 C#CC(C)SCCC1CC1 62a_200000035995_100000764125 [0,1,0,1,0,0|2,0,0]=4 15533 B10R1.153 C#C[C@@H](C)OCCC1CC1 34a_100009815206_100000694398 [0,1,0,1,0,0|2,0,0]=4 15534 B10R1.153 C#C[C@@H](C)OCCC1CC1 7a_100009815206_100000764125 [0,1,0,1,0,0|2,0,0]=4 15535 B10R1.153 C=CC(C)COCC1CC1 34a_100011215527_100000742324 [0,1,0,1,0,0|2,0,0]=4 15536 B10R1.153 C=CC(C)COCC1CC1 7a_100011215527_100000742324 [0,1,0,1,0,0|2,0,0]=4 15537 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [0,1,0,1,0,0|2,0,0]=4 15538 B10R1.153 C=CC(C)SCCC1CC1 62a_100011215867_100000764125 [0,1,0,1,0,0|2,0,0]=4 15539 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [0,1,0,1,0,0|1,0,1]=4 15540 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [0,1,0,1,0,0|1,0,1]=4 15541 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [0,1,0,1,0,0|1,0,1]=4 15542 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [0,1,0,1,0,0|1,0,1]=4 15543 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [0,1,0,1,0,0|1,0,1]=4 15544 B10R1.153 CC(C#N)NCCC1CC1 2230a_100000737613_100000694398 [0,1,0,1,0,0|2,0,0]=4 15545 B10R1.153 CC(C#N)OCCC1CC1 34a_100011218135_100000694398 [0,1,0,1,0,0|2,0,0]=4 15546 B10R1.153 CC(C#N)OCCC1CC1 7a_100000754188_100000703298 [0,1,0,1,0,0|2,0,0]=4 15547 B10R1.153 CC(C#N)SCCC1CC1 62a_100000703298_100000764125 [0,1,0,1,0,0|2,0,0]=4 15548 B10R1.153 CC(C#N)SCCC1CC1 62a_100000764125_100000703298 [0,1,0,1,0,0|2,0,0]=4 15549 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [0,1,0,1,0,0|2,0,0]=4 15550 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [0,1,0,1,0,0|2,0,0]=4 15551 B10R1.153 CC(CF)OCCC1CO1 34a_100016041109_100000732470 [0,1,0,1,0,0|2,0,0]=4 15552 B10R1.153 CC(CF)OCCC1CO1 7a_100016041109_100000732470 [0,1,0,1,0,0|2,0,0]=4 15553 B10R1.153 CC(CN)COCC1CC1 34a_100000744482_100000742324 [0,1,0,1,0,0|2,0,0]=4 15554 B10R1.153 CC(CN)COCC1CO1 34a_100000744482_102125554688 [0,1,0,1,0,0|2,0,0]=4 15555 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|2,0,0]=4 15556 B10R1.153 CC(CN)OCCC1CO1 34a_100000210904_100000732470 [0,1,0,1,0,0|2,0,0]=4 15557 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [0,1,0,1,0,0|1,0,0]=3 15558 B10R1.153 CC(CO)CNCC1CC1 269862a_100000744482_100000741477 [0,1,0,1,0,0|1,0,0]=3 15559 B10R1.153 CC(CO)CNCC1CC1 34a_100000744482_100000742324 [0,1,0,1,0,0|1,0,0]=3 15560 B10R1.153 CC(CO)CNCC1CO1 34a_100000744482_102125554688 [0,1,0,1,0,0|2,0,0]=4 15561 B10R1.153 CC(CO)NCCC1CC1 34a_100000764129_100012180447 [0,1,0,1,0,0|1,0,0]=3 15562 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,1,0,1,0,0|1,0,0]=3 15563 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,1,0,1,0,0|1,0,0]=3 15564 B10R1.153 CC(CO)OCC[C@@H]1CO1 34a_100009820653_100012180447 [0,1,0,1,0,0|2,0,0]=4 15565 B10R1.153 CC(CO)SCCC1CC1 62a_100012180447_100000764125 [0,1,0,1,0,0|1,0,0]=3 15566 B10R1.153 CC(CO)SCCC1CO1 62a_100012180447_100000732470 [0,1,0,1,0,0|2,0,0]=4 15567 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|0,0,1]=3 15568 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|1,0,1]=4 15569 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,1,0,1,0,0|1,0,1]=4 15570 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,1,0,1,0,0|1,0,1]=4 15571 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,1,0,1,0,0|1,0,1]=4 15572 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,1,0,1,0,0|1,0,1]=4 15573 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [0,1,0,1,0,0|2,0,0]=4 15574 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [0,1,0,1,0,0|2,0,0]=4 15575 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [0,1,0,1,0,0|2,0,0]=4 15576 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [0,1,0,1,0,0|2,0,0]=4 15577 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [0,1,0,1,0,0|2,0,0]=4 15578 B10R1.153 CCC(C)CNCC1CO1 2230a_100020588543_100011216344 [0,1,0,1,0,0|1,0,0]=3 15579 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,1,0,1,0,0|2,0,0]=4 15580 B10R1.153 CCC(C)COC[C@@H]1CO1 34a_100000757423_100000748023 [0,1,0,1,0,0|1,0,0]=3 15581 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [0,1,0,1,0,0|2,0,0]=4 15582 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [0,1,0,1,0,0|2,0,0]=4 15583 B10R1.153 CCC(C)CSCC1CO1 62a_100000748023_102125554688 [0,1,0,1,0,0|1,0,0]=3 15584 B10R1.153 CCC(C)CSCC1CO1 62a_102125554688_100000748023 [0,1,0,1,0,0|1,0,0]=3 15585 B10R1.153 CCC(C)CSCC1CS1 62a_100000031435_100000748023 [0,1,0,1,0,0|1,1,0]=4 15586 B10R1.153 CCC(C)CSCC1CS1 62a_100000748023_100000031435 [0,1,0,1,0,0|1,1,0]=4 15587 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000745022_100000748023 [0,1,0,1,0,0|1,0,0]=3 15588 B10R1.153 CCC(C)CSC[C@@H]1CO1 62a_100000748023_100000745022 [0,1,0,1,0,0|1,0,0]=3 15589 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,1,0,1,0,0|2,0,0]=4 15590 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,1,0,1,0,0|2,0,0]=4 15591 B10R1.153 CCC(C)NCCC1CO1 2230a_100000209981_100000732470 [0,1,0,1,0,0|1,0,0]=3 15592 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,1,0,1,0,0|2,0,0]=4 15593 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,1,0,1,0,0|2,0,0]=4 15594 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,1,0,1,0,0|2,0,0]=4 15595 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [0,1,0,1,0,0|1,0,0]=3 15596 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [0,1,0,1,0,0|1,0,0]=3 15597 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,1,0,1,0,0|2,0,0]=4 15598 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,1,0,1,0,0|2,0,0]=4 15599 B10R1.153 CCC(C)SCCC1CO1 62a_100000732470_100000758301 [0,1,0,1,0,0|1,0,0]=3 15600 B10R1.153 CCC(C)SCCC1CO1 62a_100000758301_100000732470 [0,1,0,1,0,0|1,0,0]=3 15601 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,1,0,1,0,0|1,0,0]=3 15602 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,1,0,1,0,0|1,0,0]=3 15603 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,1,0,1,0,0|1,0,0]=3 15604 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,1,0,1,0,0|1,0,0]=3 15605 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [0,1,0,1,0,0|1,0,0]=3 15606 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,1,0,1,0,0|1,0,0]=3 15607 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [0,1,0,1,0,0|1,0,0]=3 15608 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,1,0,1,0,0|1,0,0]=3 15609 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,1,0,1,0,0|1,0,0]=3 15610 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [0,1,0,1,0,0|1,0,0]=3 15611 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [0,1,0,1,0,0|1,0,0]=3 15612 B10R1.153 CCC(O)CSCC1CS1 62a_100000031435_100011218378 [0,1,0,1,0,0|1,1,0]=4 15613 B10R1.153 CCC(O)CSCC1CS1 62a_100011218378_100000031435 [0,1,0,1,0,0|1,1,0]=4 15614 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [0,1,0,1,0,0|1,0,0]=3 15615 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [0,1,0,1,0,0|1,0,0]=3 15616 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [0,1,0,1,0,0|1,0,0]=3 15617 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [0,1,0,1,0,0|1,0,0]=3 15618 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [0,1,0,1,0,0|2,0,0]=4 15619 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [0,1,0,1,0,0|2,0,0]=4 15620 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,1,0,1,0,0|2,0,0]=4 15621 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,1,0,1,0,0|2,0,0]=4 15622 B10R1.153 CC[C@H](C)COCC1CO1 7a_100009816381_102125554688 [0,1,0,1,0,0|1,0,0]=3 15623 B10R1.153 CC[C@H](C)COCC1CS1 7a_100009816381_100000031435 [0,1,0,1,0,0|1,1,0]=4 15624 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 34a_100000757423_100009816398 [0,1,0,1,0,0|1,0,0]=3 15625 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 7a_100009816381_100000745022 [0,1,0,1,0,0|1,0,0]=3 15626 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [0,1,0,1,0,0|2,0,0]=4 15627 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [0,1,0,1,0,0|2,0,0]=4 15628 B10R1.153 CC[C@H](C)CSCC1CO1 62a_100009816398_102125554688 [0,1,0,1,0,0|1,0,0]=3 15629 B10R1.153 CC[C@H](C)CSCC1CO1 62a_102125554688_100009816398 [0,1,0,1,0,0|1,0,0]=3 15630 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100000031435_100009816398 [0,1,0,1,0,0|1,1,0]=4 15631 B10R1.153 CC[C@H](C)CSCC1CS1 62a_100009816398_100000031435 [0,1,0,1,0,0|1,1,0]=4 15632 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100000745022_100009816398 [0,1,0,1,0,0|1,0,0]=3 15633 B10R1.153 CC[C@H](C)CSC[C@@H]1CO1 62a_100009816398_100000745022 [0,1,0,1,0,0|1,0,0]=3 15634 B10R1.153 COC(C)COCC1CC1 34a_100000690652_100000742324 [0,1,0,1,0,0|1,0,0]=3 15635 B10R1.153 COC(C)COCC1CO1 34a_100000690652_102125554688 [0,1,0,1,0,0|2,0,0]=4 15636 B10R1.153 COC(C)SCCC1CC1 62a_100000764125_100009879195 [0,1,0,1,0,0|1,0,0]=3 15637 B10R1.153 COC(C)SCCC1CC1 62a_100009879195_100000764125 [0,1,0,1,0,0|1,0,0]=3 15638 B10R1.153 COC(C)SCCC1CO1 62a_100000732470_100009879195 [0,1,0,1,0,0|2,0,0]=4 15639 B10R1.153 COC(C)SCCC1CO1 62a_100009879195_100000732470 [0,1,0,1,0,0|2,0,0]=4 15640 B10R1.153 CO[C@H](C)CNCC1CC1 2230a_100020591295_100000742324 [0,1,0,1,0,0|1,0,0]=3 15641 B10R1.153 CO[C@H](C)CNCC1CC1 269862a_100020591295_100000741477 [0,1,0,1,0,0|1,0,0]=3 15642 B10R1.153 CO[C@H](C)CNCC1CO1 2230a_100020591295_100011216344 [0,1,0,1,0,0|2,0,0]=4 15643 B10R1.153 C[C@@H](CO)CNCC1CC1 2230a_100000735609_100000059175 [0,1,0,1,0,0|1,0,0]=3 15644 B10R1.153 C[C@@H](CO)CNCC1CC1 34a_100000735609_100000059175 [0,1,0,1,0,0|1,0,0]=3 15645 B10R1.153 C[C@@H](CO)COCC1CC1 34a_100000211283_100000059175 [0,1,0,1,0,0|1,0,0]=3 15646 B10R1.153 C[C@@H](CO)COC[C@@H]1CO1 34a_100000757423_100000059175 [0,1,0,1,0,0|2,0,0]=4 15647 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000059175_100000742324 [0,1,0,1,0,0|1,0,0]=3 15648 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000756562_100000059175 [0,1,0,1,0,0|1,0,0]=3 15649 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_100000059175_102125554688 [0,1,0,1,0,0|2,0,0]=4 15650 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_102125554688_100000059175 [0,1,0,1,0,0|2,0,0]=4 15651 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000031435_100000059175 [0,1,0,1,0,0|2,0,0]=4 15652 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000059175_100000031435 [0,1,0,1,0,0|2,0,0]=4 15653 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000059175_100000745022 [0,1,0,1,0,0|2,0,0]=4 15654 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000745022_100000059175 [0,1,0,1,0,0|2,0,0]=4 15655 B10R1.153 C[C@H](CO)NCCC1CC1 2230a_100000737577_100000694398 [0,1,0,1,0,0|1,0,0]=3 15656 B10R1.153 C[C@H](CO)NCCC1CO1 2230a_100000737577_100000732470 [0,1,0,1,0,0|2,0,0]=4 15657 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100000764125_100016084084 [0,1,0,1,0,0|1,0,0]=3 15658 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100016084084_100000764125 [0,1,0,1,0,0|1,0,0]=3 15659 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100000732470_100016084084 [0,1,0,1,0,0|2,0,0]=4 15660 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100016084084_100000732470 [0,1,0,1,0,0|2,0,0]=4 15661 B10R1.153 ClCC(Cl)COCC1CC1 34a_100000033668_100000742324 [0,1,0,1,0,0|2,0,0]=4 15662 B10R1.153 ClCC(Cl)COCC1CO1 34a_100000033668_102125554688 [0,1,0,1,0,0|2,0,0]=4 15663 B10R1.153 NC[C@@H](F)COCC1CC1 34a_100015665980_100000742324 [0,1,0,1,0,0|2,0,0]=4 15664 B10R1.153 NC[C@@H](F)COCC1CO1 34a_100015665980_102125554688 [0,1,0,1,0,0|2,0,0]=4 15665 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,1]=4 15666 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [0,1,0,1,0,0|1,0,0]=3 15667 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [0,1,0,1,0,0|1,0,0]=3 15668 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [0,1,0,1,0,0|1,0,0]=3 15669 B10R1.153 OCC(O)COC[C@@H]1CO1 34a_100000757423_100011219619 [0,1,0,1,0,0|2,0,0]=4 15670 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [0,1,0,1,0,0|1,0,0]=3 15671 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [0,1,0,1,0,0|1,0,0]=3 15672 B10R1.153 OCC(O)CSCC1CO1 62a_100011219619_102125554688 [0,1,0,1,0,0|2,0,0]=4 15673 B10R1.153 OCC(O)CSCC1CO1 62a_102125554688_100011219619 [0,1,0,1,0,0|2,0,0]=4 15674 B10R1.153 OCC(O)CSCC1CS1 62a_100000031435_100011219619 [0,1,0,1,0,0|2,0,0]=4 15675 B10R1.153 OCC(O)CSCC1CS1 62a_100011219619_100000031435 [0,1,0,1,0,0|2,0,0]=4 15676 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100000745022_100011219619 [0,1,0,1,0,0|2,0,0]=4 15677 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100011219619_100000745022 [0,1,0,1,0,0|2,0,0]=4 15678 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [0,1,0,1,0,0|1,0,0]=3 15679 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [0,1,0,1,0,0|1,0,0]=3 15680 B10R1.153 OC[C@@H](O)CNCC1CO1 2230a_100020644852_100011216344 [0,1,0,1,0,0|2,0,0]=4 15681 B10R1.153 OC[C@H](F)CNCC1CC1 269862a_100015665980_100000741477 [0,1,0,1,0,0|2,0,0]=4 15682 B10R1.153 OC[C@H](F)CNCC1CC1 34a_100015665980_100000742324 [0,1,0,1,0,0|2,0,0]=4 15683 B10R1.153 OC[C@H](F)CNCC1CO1 34a_100015665980_102125554688 [0,1,0,1,0,0|2,0,0]=4 15684 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [0,1,0,1,0,0|1,0,0]=3 15685 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [0,1,0,1,0,0|1,0,0]=3 15686 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [0,1,0,1,0,0|1,0,0]=3 15687 B10R1.153 OC[C@H](O)COC[C@@H]1CO1 34a_100000757423_100009815848 [0,1,0,1,0,0|2,0,0]=4 15688 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [0,1,0,1,0,0|1,0,0]=3 15689 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [0,1,0,1,0,0|1,0,0]=3 15690 B10R1.153 OC[C@H](O)CSCC1CO1 62a_100009815848_102125554688 [0,1,0,1,0,0|2,0,0]=4 15691 B10R1.153 OC[C@H](O)CSCC1CO1 62a_102125554688_100009815848 [0,1,0,1,0,0|2,0,0]=4 15692 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100000031435_100009815848 [0,1,0,1,0,0|2,0,0]=4 15693 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100009815848_100000031435 [0,1,0,1,0,0|2,0,0]=4 15694 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100009815848 [0,1,0,1,0,0|2,0,0]=4 15695 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100009815848_100000745022 [0,1,0,1,0,0|2,0,0]=4 15696 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [0,1,0,1,0,0|1,0,0]=3 15697 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [0,1,0,1,0,0|1,0,0]=3 15698 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [0,1,0,1,0,0|1,0,0]=3 15699 B10R1.153 O[C@@H](CF)COC[C@@H]1CO1 34a_100000757423_100015614560 [0,1,0,1,0,0|2,0,0]=4 15700 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100000756562_100015614560 [0,1,0,1,0,0|1,0,0]=3 15701 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100015614560_100000742324 [0,1,0,1,0,0|1,0,0]=3 15702 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_100015614560_102125554688 [0,1,0,1,0,0|2,0,0]=4 15703 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_102125554688_100015614560 [0,1,0,1,0,0|2,0,0]=4 15704 B10R1.153 O[C@@H](CF)CSCC1CS1 62a_100000031435_100015614560 [0,1,0,1,0,0|2,0,0]=4 15705 B10R1.153 O[C@@H](CF)CSCC1CS1 62a_100015614560_100000031435 [0,1,0,1,0,0|2,0,0]=4 15706 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100000745022_100015614560 [0,1,0,1,0,0|2,0,0]=4 15707 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100015614560_100000745022 [0,1,0,1,0,0|2,0,0]=4 15708 B10R1.168 CC(O)CN1CC(C1)CF 269982a_100010363649_100011218427 [0,1,0,1,0,0|2,0,0]=4 15709 B10R1.168 CC(O)CN1CC(C1)CF 34a_100010363649_100011218427 [0,1,0,1,0,0|2,0,0]=4 15710 B10R1.168 CC(O)CN1CC(C1)CO 269982a_100016987283_100011218427 [0,1,0,1,0,0|2,0,0]=4 15711 B10R1.168 CC(O)CN1CC(C1)CO 34a_100016987283_100011218427 [0,1,0,1,0,0|2,0,0]=4 15712 B10R1.168 CCC1CN(C1)CC(C)C 2230a_100015205115_100000210760 [0,1,0,1,0,0|2,0,0]=4 15713 B10R1.168 CCC1CN(C1)CC(C)C 269982a_100015205115_100000210624 [0,1,0,1,0,0|2,0,0]=4 15714 B10R1.168 CCC1CN(C1)CC(C)C 270004a_100015205115_100000210432 [0,1,0,1,0,0|2,0,0]=4 15715 B10R1.168 CCC1CN(C1)CC(C)O 2230a_100015205115_100011218427 [0,1,0,1,0,0|1,0,0]=3 15716 B10R1.168 CCC1CN(C1)CC(C)O 269982a_100015205115_100011218427 [0,1,0,1,0,0|1,0,0]=3 15717 B10R1.168 CCC1CN(C1)C[C@@H](C)O 2230a_100015205115_100009817552 [0,1,0,1,0,0|1,0,0]=3 15718 B10R1.168 CCC1CN(C1)C[C@@H](C)O 269982a_100015205115_100009817552 [0,1,0,1,0,0|1,0,0]=3 15719 B10R1.168 CCN1CC(C1)CC(C)C 2230a_214813039686_100000210202 [0,1,0,1,0,0|2,0,0]=4 15720 B10R1.168 CCN1CC(C1)CC(C)C 269982a_214813039686_100000204670 [0,1,0,1,0,0|2,0,0]=4 15721 B10R1.168 CCN1CC(C1)CC(C)C 34a_214813039686_100000210202 [0,1,0,1,0,0|2,0,0]=4 15722 B10R1.168 COC1CN(C1)CC(C)O 269982a_100000755009_100011218427 [0,1,0,1,0,0|2,0,0]=4 15723 B10R1.168 COC1CN(C1)C[C@@H](C)O 269982a_100000755009_100009817552 [0,1,0,1,0,0|2,0,0]=4 15724 B10R1.168 CSC1CN(C1)CC(C)O 269982a_100016990038_100011218427 [0,1,0,1,0,0|2,0,0]=4 15725 B10R1.168 CSC1CN(C1)C[C@@H](C)O 269982a_100016990038_100009817552 [0,1,0,1,0,0|2,0,0]=4 15726 B10R1.168 C[C@@H](O)CN1CC(C1)CF 269982a_100010363649_100009817552 [0,1,0,1,0,0|2,0,0]=4 15727 B10R1.168 C[C@@H](O)CN1CC(C1)CF 34a_100010363649_100009817552 [0,1,0,1,0,0|2,0,0]=4 15728 B10R1.168 C[C@@H](O)CN1CC(C1)CO 269982a_100016987283_100009817552 [0,1,0,1,0,0|2,0,0]=4 15729 B10R1.168 C[C@@H](O)CN1CC(C1)CO 34a_100016987283_100009817552 [0,1,0,1,0,0|2,0,0]=4 15730 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,1,0,1,0,0|2,0,0]=4 15731 B10R1.171 CC1(CCCN(C1)CF)O 269982a_100000695535_100015361967 [0,1,0,1,0,0|2,0,0]=4 15732 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [0,1,0,1,0,0|2,0,0]=4 15733 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [0,1,0,1,0,0|2,0,0]=4 15734 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [0,1,0,1,0,0|2,0,0]=4 15735 B10R1.171 CCN1CCCC(C1)(C)O 2230a_100000695535_100000210202 [0,1,0,1,0,0|1,0,0]=3 15736 B10R1.171 CCN1CCCC(C1)(C)O 269982a_100000695535_100000204670 [0,1,0,1,0,0|1,0,0]=3 15737 B10R1.171 CCN1CCCC(C1)(F)F 2230a_100000732682_100000210202 [0,1,0,1,0,0|2,0,0]=4 15738 B10R1.171 CCN1CCCC(C1)(F)F 269982a_100000732682_100000204670 [0,1,0,1,0,0|2,0,0]=4 15739 B10R1.171 CCN1CCCC(C1)(F)F 34a_100000732682_100000210202 [0,1,0,1,0,0|2,0,0]=4 15740 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [0,1,0,1,0,0|2,0,0]=4 15741 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,1,0,1,0,0|2,0,0]=4 15742 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 15743 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 15744 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,1,0,0|2,0,0]=4 15745 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 15746 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 15747 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,1,0,0|2,0,0]=4 15748 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,1,0,1,0,0|2,0,0]=4 15749 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,1,0,1,0,0|2,0,0]=4 15750 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,1,0,1,0,0|2,0,0]=4 15751 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,1,0,1,0,0|1,0,0]=3 15752 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,1,0,1,0,0|1,0,0]=3 15753 B10R1.197 OC1CCCN(CC1)CF 269982a_100015186869_100015361967 [0,1,0,1,0,0|2,0,0]=4 15754 B10R1.206 C#CC(C)OCC1CC1C 34a_100000744939_200000035995 [0,1,0,1,0,0|2,0,0]=4 15755 B10R1.206 CC(C#N)OCC1CC1C 7a_100000744939_100000703298 [0,1,0,1,0,0|2,0,0]=4 15756 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,1,0,1,0,0|1,0,0]=3 15757 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,1,0,1,0,0|1,0,0]=3 15758 B10R1.206 CCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000748023 [0,1,0,1,0,0|2,0,0]=4 15759 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000748023 [0,1,0,1,0,0|2,0,0]=4 15760 B10R1.206 CCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000748023 [0,1,0,1,0,0|2,0,0]=4 15761 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,1,0,1,0,0|2,0,0]=4 15762 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,1,0,1,0,0|2,0,0]=4 15763 B10R1.206 CCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218378 [0,1,0,1,0,0|2,0,0]=4 15764 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218378 [0,1,0,1,0,0|2,0,0]=4 15765 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218378 [0,1,0,1,0,0|2,0,0]=4 15766 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009816398 [0,1,0,1,0,0|2,0,0]=4 15767 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009816398 [0,1,0,1,0,0|2,0,0]=4 15768 B10R1.206 CC[C@H](C)CN[C@@H]1C[C@H]1F 34a_100025746932_100009816398 [0,1,0,1,0,0|2,0,0]=4 15769 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000059175 [0,1,0,1,0,0|2,0,0]=4 15770 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000059175 [0,1,0,1,0,0|2,0,0]=4 15771 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 34a_100025746932_100000059175 [0,1,0,1,0,0|2,0,0]=4 15772 B10R1.206 OCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011219619 [0,1,0,1,0,0|2,0,0]=4 15773 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011219619 [0,1,0,1,0,0|2,0,0]=4 15774 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011219619 [0,1,0,1,0,0|2,0,0]=4 15775 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815848 [0,1,0,1,0,0|2,0,0]=4 15776 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009815848 [0,1,0,1,0,0|2,0,0]=4 15777 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009815848 [0,1,0,1,0,0|2,0,0]=4 15778 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100015614560 [0,1,0,1,0,0|2,0,0]=4 15779 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 2230a_100025746932_100015614560 [0,1,0,1,0,0|2,0,0]=4 15780 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 34a_100025746932_100015614560 [0,1,0,1,0,0|2,0,0]=4 15781 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 15782 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 15783 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 15784 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 15785 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 15786 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 15787 B10R1.350 CC(C)CCNC1(CC1)C 2230a_100000757604_100000210312 [0,1,0,1,0,0|2,0,0]=4 15788 B10R1.350 CC(C)CCOC1(CC1)C 7a_100011725673_100000210626 [0,1,0,1,0,0|2,0,0]=4 15789 B10R1.350 CC(C)CNCC1(CC1)C 2230a_100000766693_100000210760 [0,1,0,1,0,0|2,0,0]=4 15790 B10R1.350 CC(C)CNCC1(CC1)C 270004a_100000766693_100000210432 [0,1,0,1,0,0|2,0,0]=4 15791 B10R1.350 CC(C)CNCC1(CC1)O 2230a_100011936951_100000210760 [0,1,0,1,0,0|2,0,0]=4 15792 B10R1.350 CC(C)CNCC1(CC1)O 270004a_100011936951_100000210432 [0,1,0,1,0,0|2,0,0]=4 15793 B10R1.350 CC(C)COCC1(CC1)C 7a_100000698024_100000210760 [0,1,0,1,0,0|2,0,0]=4 15794 B10R1.350 CC(C)COCC1(CC1)F 34a_200000703853_100000210624 [0,1,0,1,0,0|2,0,0]=4 15795 B10R1.350 CC(C)COCC1(CC1)F 7a_200000703853_100000210760 [0,1,0,1,0,0|2,0,0]=4 15796 B10R1.350 CC(O)CCNC1(CC1)C 2230a_100000757604_100012276601 [0,1,0,1,0,0|1,0,0]=3 15797 B10R1.350 CC(O)CCOC1(CC1)C 7a_100011725673_100012276601 [0,1,0,1,0,0|1,0,0]=3 15798 B10R1.350 CC(O)CNCC1(CC1)C 2230a_100000766693_100011218427 [0,1,0,1,0,0|1,0,0]=3 15799 B10R1.350 CC(O)CNCC1(CC1)O 2230a_100011936951_100011218427 [0,1,0,1,0,0|1,0,0]=3 15800 B10R1.350 CC(O)CNCC1(CO1)C 34a_100000210904_100000760498 [0,1,0,1,0,0|2,0,0]=4 15801 B10R1.350 CC(O)COCC1(CC1)C 7a_100000698024_100011218427 [0,1,0,1,0,0|1,0,0]=3 15802 B10R1.350 CC(O)COCC1(CC1)F 34a_200000703853_100011218427 [0,1,0,1,0,0|1,0,0]=3 15803 B10R1.350 CC(O)COCC1(CC1)F 7a_200000703853_100011218427 [0,1,0,1,0,0|1,0,0]=3 15804 B10R1.350 CC(O)CSCC1(CO1)C 62a_100000760498_100011218427 [0,1,0,1,0,0|2,0,0]=4 15805 B10R1.350 CC(O)CSCC1(CO1)C 62a_100011218427_100000760498 [0,1,0,1,0,0|2,0,0]=4 15806 B10R1.350 C[C@@H](O)CNCC1(CC1)C 2230a_100000766693_100009817552 [0,1,0,1,0,0|1,0,0]=3 15807 B10R1.350 C[C@@H](O)CNCC1(CC1)O 2230a_100011936951_100009817552 [0,1,0,1,0,0|1,0,0]=3 15808 B10R1.350 C[C@@H](O)COCC1(CC1)C 7a_100000698024_100009817552 [0,1,0,1,0,0|1,0,0]=3 15809 B10R1.350 C[C@@H](O)COCC1(CC1)F 34a_200000703853_100009817552 [0,1,0,1,0,0|1,0,0]=3 15810 B10R1.350 C[C@@H](O)COCC1(CC1)F 7a_200000703853_100009817552 [0,1,0,1,0,0|1,0,0]=3 15811 B10R1.350 C[C@@H](O)CSCC1(CO1)C 62a_100000760498_100009817552 [0,1,0,1,0,0|2,0,0]=4 15812 B10R1.350 C[C@@H](O)CSCC1(CO1)C 62a_100009817552_100000760498 [0,1,0,1,0,0|2,0,0]=4 15813 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [0,1,0,1,0,0|2,0,0]=4 15814 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [0,1,0,1,0,0|2,0,0]=4 15815 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [0,1,0,1,0,0|2,0,0]=4 15816 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [0,1,0,1,0,0|2,0,0]=4 15817 B10R1.10 C#CCN1CCCC(C1)O 2230a_100000211013_100000038162 [0,1,0,1,0,0|0,0,2]=4 15818 B10R1.10 C=CCN1CCCC(C1)O 2230a_100000211013_100000210623 [0,1,0,1,0,0|0,0,2]=4 15819 B10R1.10 C=CCN1CCCC(C1)O 269982a_100000211013_100000210623 [0,1,0,1,0,0|0,0,2]=4 15820 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,1,0,1,0,0|2,0,0]=4 15821 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,1,0,0|2,0,0]=4 15822 B10R1.10 CC1CNCC(C1)CO[13CH3] 34a_200012821172_200025704644 [0,1,0,1,0,0|2,0,0]=4 15823 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [0,1,0,1,0,0|1,0,0]=3 15824 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [0,1,0,1,0,0|1,0,0]=3 15825 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [0,1,0,1,0,0|1,0,0]=3 15826 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,1,0,1,0,0|0,0,0]=2 15827 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,1,0,1,0,0|0,0,0]=2 15828 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,1,0,1,0,0|1,0,0]=3 15829 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,1,0,1,0,0|1,0,0]=3 15830 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,1,0,1,0,0|1,0,0]=3 15831 B10R1.10 CCCN1CCOC(C1)C 2230a_100000729577_100000210303 [0,1,0,1,0,0|2,0,0]=4 15832 B10R1.10 CCCN1CCOC(C1)C 269982a_100000729577_100000210303 [0,1,0,1,0,0|2,0,0]=4 15833 B10R1.10 CCCN1CCOC(C1)C 34a_100000729577_100000210303 [0,1,0,1,0,0|2,0,0]=4 15834 B10R1.10 CCCN1CCOC(C1)O 2230a_100000688207_100000210303 [0,1,0,1,0,0|1,0,0]=3 15835 B10R1.10 CCCN1CCOC(C1)O 269982a_100000688207_100000210303 [0,1,0,1,0,0|1,0,0]=3 15836 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,1,0,1,0,0|1,0,0]=3 15837 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,1,0,1,0,0|1,0,0]=3 15838 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,1,0,1,0,0|1,0,0]=3 15839 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,1,0,0|0,0,0]=2 15840 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,1,0,0|0,0,0]=2 15841 B10R1.10 CCNC1CCN[C@@H](C1)C 270004a_100015525214_100016994030 [0,1,0,1,0,0|2,0,0]=4 15842 B10R1.10 CCNC1CCOC(C1)C 270004a_100015525214_100000755752 [0,1,0,1,0,0|2,0,0]=4 15843 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,1,0,0|1,0,1]=4 15844 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|0,0,2]=4 15845 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,0]=3 15846 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 15847 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 15848 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,1,0,1,0,0|2,0,0]=4 15849 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 15850 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 15851 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,1,0,1,0,0|2,0,0]=4 15852 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,1,0,1,0,0|2,0,0]=4 15853 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,1,0,1,0,0|2,0,0]=4 15854 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 15855 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 15856 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,1,0,1,0,0|2,0,0]=4 15857 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_100000752043_200025704644 [0,1,0,1,0,0|2,0,0]=4 15858 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_200025704644_100000752043 [0,1,0,1,0,0|2,0,0]=4 15859 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|0,0,0]=2 15860 B10R1.10 CNCC1CCCN(C1)C 34a_100102657272_100015183302 [0,1,0,1,0,0|2,0,0]=4 15861 B10R1.10 CNCC1CCCN(C1)C 7a_106832991635_100000752043 [0,1,0,1,0,0|2,0,0]=4 15862 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 15863 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 15864 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,1,0,1,0,0|2,0,0]=4 15865 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,1,0,1,0,0|2,0,0]=4 15866 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 15867 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 15868 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,1,0,1,0,0|2,0,0]=4 15869 B10R1.10 COCC1CNCC(C1)C 34a_200012821172_200000210301 [0,1,0,1,0,0|2,0,0]=4 15870 B10R1.10 COCN1CCCC(C1)F 2230a_100000697950_100000766300 [0,1,0,1,0,0|2,0,0]=4 15871 B10R1.10 COCN1CCCC(C1)F 269982a_100000697950_100000766300 [0,1,0,1,0,0|2,0,0]=4 15872 B10R1.10 COCN1CCCC(C1)O 2230a_100000211013_100000766300 [0,1,0,1,0,0|1,0,0]=3 15873 B10R1.10 COCN1CCCC(C1)O 269982a_100000211013_100000766300 [0,1,0,1,0,0|1,0,0]=3 15874 B10R1.10 COCN1CCC[C@@H](C1)C 2230a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 15875 B10R1.10 COCN1CCC[C@@H](C1)C 269982a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 15876 B10R1.10 COCN1CCOC(C1)O 2230a_100000688207_100000766300 [0,1,0,1,0,0|2,0,0]=4 15877 B10R1.10 COCN1CCOC(C1)O 269982a_100000688207_100000766300 [0,1,0,1,0,0|2,0,0]=4 15878 B10R1.10 CSCC1CCCN(C1)C 62a_100000752043_200000210301 [0,1,0,1,0,0|2,0,0]=4 15879 B10R1.10 CSCC1CCCN(C1)C 62a_200000210301_100000752043 [0,1,0,1,0,0|2,0,0]=4 15880 B10R1.10 CSCN1CCCC(C1)F 2230a_100000697950_100011218213 [0,1,0,1,0,0|2,0,0]=4 15881 B10R1.10 CSCN1CCCC(C1)F 269982a_100000697950_100011218213 [0,1,0,1,0,0|2,0,0]=4 15882 B10R1.10 CSCN1CCCC(C1)F 34a_100000697950_100011218213 [0,1,0,1,0,0|2,0,0]=4 15883 B10R1.10 CSCN1CCCC(C1)O 2230a_100000211013_100011218213 [0,1,0,1,0,0|1,0,0]=3 15884 B10R1.10 CSCN1CCCC(C1)O 269982a_100000211013_100011218213 [0,1,0,1,0,0|1,0,0]=3 15885 B10R1.10 CSCN1CCC[C@@H](C1)C 2230a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 15886 B10R1.10 CSCN1CCC[C@@H](C1)C 269982a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 15887 B10R1.10 CSCN1CCC[C@@H](C1)C 34a_100000717927_100011218213 [0,1,0,1,0,0|2,0,0]=4 15888 B10R1.10 CSCN1CCOC(C1)O 2230a_100000688207_100011218213 [0,1,0,1,0,0|2,0,0]=4 15889 B10R1.10 CSCN1CCOC(C1)O 269982a_100000688207_100011218213 [0,1,0,1,0,0|2,0,0]=4 15890 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 15891 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 15892 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [0,1,0,1,0,0|2,0,0]=4 15893 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 15894 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 15895 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,1,0,1,0,0|2,0,0]=4 15896 B10R1.10 FCCN1CCCC(C1)F 2230a_100000697950_100011217306 [0,1,0,1,0,0|2,0,0]=4 15897 B10R1.10 FCCN1CCCC(C1)F 269982a_100000697950_100011217306 [0,1,0,1,0,0|2,0,0]=4 15898 B10R1.10 FCCN1CCCC(C1)F 34a_100000697950_100011217306 [0,1,0,1,0,0|2,0,0]=4 15899 B10R1.10 N#CCN1CCCC(C1)O 2230a_100000211013_100011215382 [0,1,0,1,0,0|1,0,1]=4 15900 B10R1.10 N#CCN1CCCC(C1)O 269982a_100000211013_100011214920 [0,1,0,1,0,0|1,0,1]=4 15901 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,1,0,1,0,0|1,0,1]=4 15902 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,1,0,1,0,0|1,0,1]=4 15903 B10R1.10 OC1CCCN(C1)CCF 2230a_100000211013_100011217306 [0,1,0,1,0,0|1,0,0]=3 15904 B10R1.10 OC1CCCN(C1)CCF 269982a_100000211013_100011217306 [0,1,0,1,0,0|1,0,0]=3 15905 B10R1.10 OC1CN(CCO1)CCF 2230a_100000688207_100011217306 [0,1,0,1,0,0|2,0,0]=4 15906 B10R1.10 OC1CN(CCO1)CCF 269982a_100000688207_100011217306 [0,1,0,1,0,0|2,0,0]=4 15907 B10R1.10 OCCN1CCCC(C1)F 2230a_100000697950_100000211926 [0,1,0,1,0,0|2,0,0]=4 15908 B10R1.10 OCCN1CCCC(C1)F 269982a_100000697950_100000211926 [0,1,0,1,0,0|2,0,0]=4 15909 B10R1.10 OCCN1CCCC(C1)F 34a_100000697950_100000211926 [0,1,0,1,0,0|2,0,0]=4 15910 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [0,1,0,1,0,0|1,0,0]=3 15911 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [0,1,0,1,0,0|1,0,0]=3 15912 B10R1.10 OCCN1CCOC(C1)O 2230a_100000688207_100000211926 [0,1,0,1,0,0|2,0,0]=4 15913 B10R1.10 OCCN1CCOC(C1)O 269982a_100000688207_100000211926 [0,1,0,1,0,0|2,0,0]=4 15914 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 15915 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 15916 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,1,0,1,0,0|2,0,0]=4 15917 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|0,0,0]=2 15918 B10R1.16 C#CCCN1CCC(C1)O 2230a_100011215560_100000688953 [0,1,0,1,0,0|0,0,2]=4 15919 B10R1.16 C#CCCN1CCC(C1)O 269982a_100011215560_100000730999 [0,1,0,1,0,0|0,0,2]=4 15920 B10R1.16 C#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000038162 [0,1,0,1,0,0|0,0,2]=4 15921 B10R1.16 C/C=C/CN1CCC(C1)O 269982a_100011215560_100102629194 [0,1,0,1,0,0|0,0,2]=4 15922 B10R1.16 C=CCCN1CCC(C1)O 2230a_100011215560_100000754431 [0,1,0,1,0,0|0,0,2]=4 15923 B10R1.16 C=CCCN1CCC(C1)O 269982a_100011215560_100000754431 [0,1,0,1,0,0|0,0,2]=4 15924 B10R1.16 C=CCNC1CCC(C1)O 270004a_100020586998_100012614533 [0,1,0,1,0,0|0,0,2]=4 15925 B10R1.16 C=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210623 [0,1,0,1,0,0|0,0,2]=4 15926 B10R1.16 CC#CCN1CCC(C1)O 2230a_100011215560_100000748600 [0,1,0,1,0,0|0,0,2]=4 15927 B10R1.16 CC1CCC(C1)NCCO 270004a_100000210304_100011215218 [0,1,0,1,0,0|2,0,0]=4 15928 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [0,1,0,1,0,0|2,0,0]=4 15929 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [0,1,0,1,0,0|2,0,0]=4 15930 B10R1.16 CC=CCN1CCC(C1)O 2230a_100011215560_100000070051 [0,1,0,1,0,0|0,0,2]=4 15931 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|0,0,0]=2 15932 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|0,0,0]=2 15933 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,1,0,1,0,0|1,0,0]=3 15934 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,1,0,1,0,0|1,0,0]=3 15935 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,1,0,1,0,0|1,0,0]=3 15936 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,1,0,1,0,0|1,0,0]=3 15937 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,1,0,1,0,0|1,0,0]=3 15938 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,1,0,1,0,0|1,0,0]=3 15939 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,1,0,1,0,0|1,0,0]=3 15940 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|0,0,0]=2 15941 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|0,0,0]=2 15942 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|0,0,2]=4 15943 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,1,0,1,0,0|1,0,0]=3 15944 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,1,0,1,0,0|2,0,0]=4 15945 B10R1.16 CCNN=C1CCC(C1)O 4a_100000756455_100012614533 [0,1,0,1,0,0|1,0,1]=4 15946 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,1,0,1,0,0|2,0,0]=4 15947 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [0,1,0,1,0,0|1,0,0]=3 15948 B10R1.16 CCOCN1CC[C@@H](C1)F 269982a_100015203821_100000739092 [0,1,0,1,0,0|2,0,0]=4 15949 B10R1.16 CCOCN1CC[C@H](C1)C 269982a_100016987628_100000739092 [0,1,0,1,0,0|2,0,0]=4 15950 B10R1.16 CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210202 [0,1,0,1,0,0|2,0,0]=4 15951 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,1,0,1,0,0|2,0,0]=4 15952 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,1,0,1,0,0|2,0,0]=4 15953 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [0,1,0,1,0,0|1,0,0]=3 15954 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [0,1,0,1,0,0|1,0,0]=3 15955 B10R1.16 COCCN1CC[C@@H](C1)F 2230a_100015203821_100011201679 [0,1,0,1,0,0|2,0,0]=4 15956 B10R1.16 COCCN1CC[C@@H](C1)F 269982a_100015203821_100000233755 [0,1,0,1,0,0|2,0,0]=4 15957 B10R1.16 COCCN1CC[C@@H](C1)F 34a_100015203821_100011201679 [0,1,0,1,0,0|2,0,0]=4 15958 B10R1.16 COCCN1CC[C@H](C1)C 2230a_100016987628_100011201679 [0,1,0,1,0,0|2,0,0]=4 15959 B10R1.16 COCCN1CC[C@H](C1)C 269982a_100016987628_100000233755 [0,1,0,1,0,0|2,0,0]=4 15960 B10R1.16 COCCN1CC[C@H](C1)C 34a_100016987628_100011201679 [0,1,0,1,0,0|2,0,0]=4 15961 B10R1.16 COCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766300 [0,1,0,1,0,0|1,0,0]=3 15962 B10R1.16 CSCCN1CCC(C1)O 2230a_100011215560_100000751147 [0,1,0,1,0,0|1,0,0]=3 15963 B10R1.16 CSCCN1CCC(C1)O 269982a_100011215560_100000212216 [0,1,0,1,0,0|1,0,0]=3 15964 B10R1.16 CSCCN1CC[C@@H](C1)F 2230a_100015203821_100000751147 [0,1,0,1,0,0|2,0,0]=4 15965 B10R1.16 CSCCN1CC[C@@H](C1)F 269982a_100015203821_100000212216 [0,1,0,1,0,0|2,0,0]=4 15966 B10R1.16 CSCCN1CC[C@@H](C1)F 34a_100015203821_100000212216 [0,1,0,1,0,0|2,0,0]=4 15967 B10R1.16 CSCCN1CC[C@H](C1)C 2230a_100016987628_100000751147 [0,1,0,1,0,0|2,0,0]=4 15968 B10R1.16 CSCCN1CC[C@H](C1)C 269982a_100016987628_100000212216 [0,1,0,1,0,0|2,0,0]=4 15969 B10R1.16 CSCCN1CC[C@H](C1)C 34a_100016987628_100000212216 [0,1,0,1,0,0|2,0,0]=4 15970 B10R1.16 CSCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218213 [0,1,0,1,0,0|1,0,0]=3 15971 B10R1.16 CSCOC1CCC(C1)C 34a_100000698185_100011218213 [0,1,0,1,0,0|2,0,0]=4 15972 B10R1.16 C[C@@H]1CCN(C1)CCCF 2230a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 15973 B10R1.16 C[C@@H]1CCN(C1)CCCF 269982a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 15974 B10R1.16 C[C@@H]1CCN(C1)CCCF 34a_100016987628_100011934791 [0,1,0,1,0,0|2,0,0]=4 15975 B10R1.16 C[C@@H]1CCN(C1)CCCO 2230a_100016987628_100000230001 [0,1,0,1,0,0|2,0,0]=4 15976 B10R1.16 C[C@@H]1CCN(C1)CCCO 269982a_100016987628_100011215043 [0,1,0,1,0,0|2,0,0]=4 15977 B10R1.16 C[C@@H]1CCN(C1)CCCO 34a_100016987628_100000230001 [0,1,0,1,0,0|2,0,0]=4 15978 B10R1.16 FCCCN1CC[C@@H](C1)F 2230a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 15979 B10R1.16 FCCCN1CC[C@@H](C1)F 269982a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 15980 B10R1.16 FCCCN1CC[C@@H](C1)F 34a_100015203821_100011934791 [0,1,0,1,0,0|2,0,0]=4 15981 B10R1.16 N#CCCN1CCC(C1)O 2230a_100011215560_100011215226 [0,1,0,1,0,0|1,0,1]=4 15982 B10R1.16 N#CCCN1CCC(C1)O 269982a_100011215560_100011215226 [0,1,0,1,0,0|1,0,1]=4 15983 B10R1.16 N#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215382 [0,1,0,1,0,0|1,0,1]=4 15984 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200015260668 [0,1,0,1,0,0|1,0,1]=4 15985 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [0,1,0,1,0,0|1,0,0]=3 15986 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [0,1,0,1,0,0|1,0,0]=3 15987 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [0,1,0,1,0,0|1,0,0]=3 15988 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [0,1,0,1,0,0|1,0,0]=3 15989 B10R1.16 OCCCN1CC[C@@H](C1)F 2230a_100015203821_100000230001 [0,1,0,1,0,0|2,0,0]=4 15990 B10R1.16 OCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215043 [0,1,0,1,0,0|2,0,0]=4 15991 B10R1.16 OCCCN1CC[C@@H](C1)F 34a_100015203821_100000230001 [0,1,0,1,0,0|2,0,0]=4 15992 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,1,0,1,0,0|1,0,0]=3 15993 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,1,0,1,0,0|1,0,0]=3 15994 B10R1.16 O[C@@H]1CC[C@@H](C1)NCCF 2230a_100015195300_100011217306 [0,1,0,1,0,0|1,0,0]=3 15995 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|0,0,2]=4 15996 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|0,0,2]=4 15997 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|0,0,2]=4 15998 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|0,0,2]=4 15999 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|0,0,2]=4 16000 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|0,0,2]=4 16001 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|0,0,2]=4 16002 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|0,0,2]=4 16003 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|0,0,2]=4 16004 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|0,0,2]=4 16005 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|0,0,2]=4 16006 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|0,0,2]=4 16007 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|0,0,2]=4 16008 B10R1.18 CC(C)CN1CCCOC1 2230a_100000131196_100000210760 [0,1,0,1,0,0|2,0,0]=4 16009 B10R1.18 CC(C)CN1CCCOC1 269982a_100000131196_100000210624 [0,1,0,1,0,0|2,0,0]=4 16010 B10R1.18 CC(C)CN1CCCOC1 270004a_100000131196_100000210432 [0,1,0,1,0,0|2,0,0]=4 16011 B10R1.18 CC(C)CN1CCCOC1 34a_100000131196_100000210624 [0,1,0,1,0,0|2,0,0]=4 16012 B10R1.18 CC(C)CN1CCOCC1 2230a_100015191051_100000210760 [0,1,0,1,0,0|2,0,0]=4 16013 B10R1.18 CC(C)CN1CCOCC1 269982a_100015191051_100000210624 [0,1,0,1,0,0|2,0,0]=4 16014 B10R1.18 CC(C)CN1CCOCC1 270004a_100015191051_100000210432 [0,1,0,1,0,0|2,0,0]=4 16015 B10R1.18 CC(C)CN1CCOCC1 34a_100015191051_100000210624 [0,1,0,1,0,0|2,0,0]=4 16016 B10R1.18 CC(C)CN1CCSCC1 2230a_100000737611_100000210760 [0,1,0,1,0,0|2,0,0]=4 16017 B10R1.18 CC(C)CN1CCSCC1 269982a_100000737611_100000210624 [0,1,0,1,0,0|2,0,0]=4 16018 B10R1.18 CC(C)CN1CCSCC1 270004a_100000737611_100000210432 [0,1,0,1,0,0|2,0,0]=4 16019 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,1,0,1,0,0|1,0,0]=3 16020 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,1,0,1,0,0|1,0,0]=3 16021 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,1,0,1,0,0|1,0,0]=3 16022 B10R1.18 CC(C)NC1CCCOC1 2230a_100000719290_100000210206 [0,1,0,1,0,0|2,0,0]=4 16023 B10R1.18 CC(C)NC1CCCOC1 34a_100000719290_100000210206 [0,1,0,1,0,0|2,0,0]=4 16024 B10R1.18 CC(C)NC1CCCOC1 34a_100138425928_100000693364 [0,1,0,1,0,0|2,0,0]=4 16025 B10R1.18 CC(C)NC1CCOCC1 2230a_100000741149_100000210206 [0,1,0,1,0,0|2,0,0]=4 16026 B10R1.18 CC(C)NC1CCOCC1 34a_100000741149_100000210206 [0,1,0,1,0,0|2,0,0]=4 16027 B10R1.18 CC(C)NC1CCSCC1 2230a_100000748639_100000210206 [0,1,0,1,0,0|2,0,0]=4 16028 B10R1.18 CC(C)NC1CCSCC1 34a_100000748639_100000210206 [0,1,0,1,0,0|2,0,0]=4 16029 B10R1.18 CC(C)NC1CCSCC1 34a_100138425928_100000069128 [0,1,0,1,0,0|2,0,0]=4 16030 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,1,0,1,0,0|1,0,0]=3 16031 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,1,0,1,0,0|1,0,0]=3 16032 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,1,0,1,0,0|1,0,0]=3 16033 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [0,1,0,1,0,0|2,0,0]=4 16034 B10R1.18 CC(C)OC1CCCOC1 34a_100000212225_100000693364 [0,1,0,1,0,0|2,0,0]=4 16035 B10R1.18 CC(C)OC1CCCOC1 34a_100000754041_100000210206 [0,1,0,1,0,0|2,0,0]=4 16036 B10R1.18 CC(C)OC1CCCSC1 7a_100015962668_100000210206 [0,1,0,1,0,0|2,0,0]=4 16037 B10R1.18 CC(C)OC1CCOCC1 34a_100000744328_100000210206 [0,1,0,1,0,0|2,0,0]=4 16038 B10R1.18 CC(C)OC1CCSCC1 34a_100000212225_100000069128 [0,1,0,1,0,0|2,0,0]=4 16039 B10R1.18 CC(C)OC1CCSCC1 34a_100000731022_100000210206 [0,1,0,1,0,0|2,0,0]=4 16040 B10R1.18 CC(C)OC1CCSCC1 7a_100000731022_100000210206 [0,1,0,1,0,0|2,0,0]=4 16041 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,1,0,1,0,0|1,0,0]=3 16042 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,1,0,1,0,0|1,0,0]=3 16043 B10R1.18 CC(C)SC1CCCOC1 62a_100000210206_100000693364 [0,1,0,1,0,0|2,0,0]=4 16044 B10R1.18 CC(C)SC1CCOCC1 62a_100000210206_100011324220 [0,1,0,1,0,0|2,0,0]=4 16045 B10R1.18 CC(C)SC1CCSCC1 62a_100000210206_100000069128 [0,1,0,1,0,0|2,0,0]=4 16046 B10R1.18 CC(O)CN1CC=CCC1 2230a_100000698166_100011218427 [0,1,0,1,0,0|0,0,2]=4 16047 B10R1.18 CC(O)CN1CC=CCC1 269982a_100000698166_100011218427 [0,1,0,1,0,0|0,0,2]=4 16048 B10R1.18 CC(O)CN1CC=CCC1 34a_100000698166_100011218427 [0,1,0,1,0,0|0,0,2]=4 16049 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [0,1,0,1,0,0|1,0,0]=3 16050 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [0,1,0,1,0,0|1,0,0]=3 16051 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [0,1,0,1,0,0|1,0,0]=3 16052 B10R1.18 CC(O)CN1CCOCC1 2230a_100015191051_100011218427 [0,1,0,1,0,0|1,0,0]=3 16053 B10R1.18 CC(O)CN1CCOCC1 269982a_100015191051_100011218427 [0,1,0,1,0,0|1,0,0]=3 16054 B10R1.18 CC(O)CN1CCOCC1 34a_100015191051_100011218427 [0,1,0,1,0,0|1,0,0]=3 16055 B10R1.18 CC(O)CN1CCSCC1 2230a_100000737611_100011218427 [0,1,0,1,0,0|1,0,0]=3 16056 B10R1.18 CC(O)CN1CCSCC1 269982a_100000737611_100011218427 [0,1,0,1,0,0|1,0,0]=3 16057 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16058 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 16059 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16060 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,1,0,1,0,0|2,0,0]=4 16061 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,1,0,1,0,0|2,0,0]=4 16062 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 16063 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [0,1,0,1,0,0|2,0,0]=4 16064 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 16065 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [0,1,0,1,0,0|2,0,0]=4 16066 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [0,1,0,1,0,0|2,0,0]=4 16067 B10R1.18 CN(C)CC1CCCOC1 2230a_100102631434_100000741521 [0,1,0,1,0,0|2,0,0]=4 16068 B10R1.18 CN(C)CC1CCCOC1 269982a_100102631434_100000741521 [0,1,0,1,0,0|2,0,0]=4 16069 B10R1.18 CN(C)CC1CCOCC1 2230a_100025706683_200000210301 [0,1,0,1,0,0|2,0,0]=4 16070 B10R1.18 CN(C)CC1CCOCC1 2230a_100102631434_100000754603 [0,1,0,1,0,0|2,0,0]=4 16071 B10R1.18 CN(C)CC1CCOCC1 269982a_100025706683_200000210301 [0,1,0,1,0,0|2,0,0]=4 16072 B10R1.18 CN(C)CC1CCOCC1 269982a_100102631434_100000754603 [0,1,0,1,0,0|2,0,0]=4 16073 B10R1.18 CN(C)CC1CCOCC1 34a_100025706683_200000210301 [0,1,0,1,0,0|2,0,0]=4 16074 B10R1.18 CN(C)CC1CCSCC1 2230a_100011935259_200000210301 [0,1,0,1,0,0|2,0,0]=4 16075 B10R1.18 CN(C)CC1CCSCC1 269982a_100011935259_200000210301 [0,1,0,1,0,0|2,0,0]=4 16076 B10R1.18 CN(C)CC1CCSCC1 270004a_100102631434_100000067145 [0,1,0,1,0,0|2,0,0]=4 16077 B10R1.18 CN(C)CC1CCSCC1 34a_100011935259_200000210301 [0,1,0,1,0,0|2,0,0]=4 16078 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16079 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16080 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,1,0,1,0,0|2,0,0]=4 16081 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 16082 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 16083 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [0,1,0,1,0,0|2,0,0]=4 16084 B10R1.18 CN([13CH3])CC1CCOCC1 2230a_100025706683_200025704644 [0,1,0,1,0,0|2,0,0]=4 16085 B10R1.18 CN([13CH3])CC1CCOCC1 269982a_100025706683_200025704644 [0,1,0,1,0,0|2,0,0]=4 16086 B10R1.18 CN([13CH3])CC1CCOCC1 34a_100025706683_200025704644 [0,1,0,1,0,0|2,0,0]=4 16087 B10R1.18 CN([13CH3])CC1CCSCC1 2230a_100011935259_200025704644 [0,1,0,1,0,0|2,0,0]=4 16088 B10R1.18 CN([13CH3])CC1CCSCC1 269982a_100011935259_200025704644 [0,1,0,1,0,0|2,0,0]=4 16089 B10R1.18 CN([13CH3])CC1CCSCC1 34a_100011935259_200025704644 [0,1,0,1,0,0|2,0,0]=4 16090 B10R1.18 C[C@@H](O)CN1CC=CCC1 2230a_100000698166_100009817552 [0,1,0,1,0,0|0,0,2]=4 16091 B10R1.18 C[C@@H](O)CN1CC=CCC1 269982a_100000698166_100009817552 [0,1,0,1,0,0|0,0,2]=4 16092 B10R1.18 C[C@@H](O)CN1CC=CCC1 34a_100000698166_100009817552 [0,1,0,1,0,0|0,0,2]=4 16093 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [0,1,0,1,0,0|1,0,0]=3 16094 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [0,1,0,1,0,0|1,0,0]=3 16095 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [0,1,0,1,0,0|1,0,0]=3 16096 B10R1.18 C[C@@H](O)CN1CCOCC1 2230a_100015191051_100009817552 [0,1,0,1,0,0|1,0,0]=3 16097 B10R1.18 C[C@@H](O)CN1CCOCC1 269982a_100015191051_100009817552 [0,1,0,1,0,0|1,0,0]=3 16098 B10R1.18 C[C@@H](O)CN1CCOCC1 34a_100015191051_100009817552 [0,1,0,1,0,0|1,0,0]=3 16099 B10R1.18 C[C@@H](O)CN1CCSCC1 2230a_100000737611_100009817552 [0,1,0,1,0,0|1,0,0]=3 16100 B10R1.18 C[C@@H](O)CN1CCSCC1 269982a_100000737611_100009817552 [0,1,0,1,0,0|1,0,0]=3 16101 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|0,0,2]=4 16102 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|0,0,2]=4 16103 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|0,0,2]=4 16104 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|0,0,2]=4 16105 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|0,0,2]=4 16106 B10R1.24 C#CCCCN1CC(C1)O 269982a_100000749847_100011215417 [0,1,0,1,0,0|0,0,2]=4 16107 B10R1.24 C#CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000688953 [0,1,0,1,0,0|0,0,2]=4 16108 B10R1.24 C#CCNCC1CC(C1)O 2230a_100016992100_100000038162 [0,1,0,1,0,0|0,0,2]=4 16109 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,1,0,1,0,0|1,0,1]=4 16110 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,1,0,1,0,0|1,0,1]=4 16111 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,1,0,1,0,0|1,0,1]=4 16112 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,1,0,1,0,0|1,0,1]=4 16113 B10R1.24 C=CCCCN1CC(C1)O 269982a_100000749847_100000757094 [0,1,0,1,0,0|0,0,2]=4 16114 B10R1.24 C=CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000754431 [0,1,0,1,0,0|0,0,2]=4 16115 B10R1.24 C=CCNCC1CC(C1)O 2230a_100016992100_100000210623 [0,1,0,1,0,0|0,0,2]=4 16116 B10R1.24 CC#CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748600 [0,1,0,1,0,0|0,0,2]=4 16117 B10R1.24 CC/C=C\CN1CC(C1)O 269982a_100000749847_100103147603 [0,1,0,1,0,0|0,0,2]=4 16118 B10R1.24 CC1CN(C1)CCCCF 2230a_100000702820_100000729493 [0,1,0,1,0,0|2,0,0]=4 16119 B10R1.24 CC1CN(C1)CCCCF 269982a_100000702820_100000729493 [0,1,0,1,0,0|2,0,0]=4 16120 B10R1.24 CC1CN(C1)CCCCF 34a_100000702820_100000729493 [0,1,0,1,0,0|2,0,0]=4 16121 B10R1.24 CC1CN(C1)CCCCO 2230a_100000702820_100000210776 [0,1,0,1,0,0|2,0,0]=4 16122 B10R1.24 CC1CN(C1)CCCCO 269982a_100000702820_100000210776 [0,1,0,1,0,0|2,0,0]=4 16123 B10R1.24 CC1CN(C1)CCCCO 34a_100000702820_100011216708 [0,1,0,1,0,0|2,0,0]=4 16124 B10R1.24 CC=CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000070051 [0,1,0,1,0,0|0,0,2]=4 16125 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,1,0,1,0,0|1,0,0]=3 16126 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,1,0,1,0,0|1,0,0]=3 16127 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,1,0,1,0,0|1,0,0]=3 16128 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [0,1,0,1,0,0|1,0,0]=3 16129 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [0,1,0,1,0,0|1,0,0]=3 16130 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [0,1,0,1,0,0|1,0,0]=3 16131 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|0,0,0]=2 16132 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [0,1,0,1,0,0|1,0,0]=3 16133 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,1,0,1,0,0|0,0,0]=2 16134 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|0,0,2]=4 16135 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,1,0,1,0,0|0,0,0]=2 16136 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|0,0,2]=4 16137 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [0,1,0,1,0,0|1,0,0]=3 16138 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|0,0,2]=4 16139 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|0,0,2]=4 16140 B10R1.24 CCOCCN1CC(C1)C 2230a_100000702820_100011215890 [0,1,0,1,0,0|2,0,0]=4 16141 B10R1.24 CCOCCN1CC(C1)C 269982a_100000702820_100011215890 [0,1,0,1,0,0|2,0,0]=4 16142 B10R1.24 CCOCCN1CC(C1)C 34a_100000702820_100000210147 [0,1,0,1,0,0|2,0,0]=4 16143 B10R1.24 CCOCCN1CC(C1)F 2230a_100000690557_100011215890 [0,1,0,1,0,0|2,0,0]=4 16144 B10R1.24 CCOCCN1CC(C1)F 269982a_100000690557_100011215890 [0,1,0,1,0,0|2,0,0]=4 16145 B10R1.24 CCOCCN1CC(C1)F 34a_100000690557_100000210147 [0,1,0,1,0,0|2,0,0]=4 16146 B10R1.24 CCOCCN1CC(C1)O 269982a_100000749847_100011215890 [0,1,0,1,0,0|1,0,0]=3 16147 B10R1.24 CCSCCN1CC(C1)C 2230a_100000702820_100000757381 [0,1,0,1,0,0|2,0,0]=4 16148 B10R1.24 CCSCCN1CC(C1)C 269982a_100000702820_100000757381 [0,1,0,1,0,0|2,0,0]=4 16149 B10R1.24 CCSCCN1CC(C1)C 34a_100000702820_100000757381 [0,1,0,1,0,0|2,0,0]=4 16150 B10R1.24 CCSCCN1CC(C1)F 2230a_100000690557_100000757381 [0,1,0,1,0,0|2,0,0]=4 16151 B10R1.24 CCSCCN1CC(C1)F 269982a_100000690557_100000757381 [0,1,0,1,0,0|2,0,0]=4 16152 B10R1.24 CCSCCN1CC(C1)F 34a_100000690557_100000757381 [0,1,0,1,0,0|2,0,0]=4 16153 B10R1.24 CCSCCN1CC(C1)O 269982a_100000749847_100000757381 [0,1,0,1,0,0|1,0,0]=3 16154 B10R1.24 COCCCN1CC(C1)C 2230a_100000702820_100000740836 [0,1,0,1,0,0|2,0,0]=4 16155 B10R1.24 COCCCN1CC(C1)C 269982a_100000702820_100000740836 [0,1,0,1,0,0|2,0,0]=4 16156 B10R1.24 COCCCN1CC(C1)C 34a_100000702820_100000740836 [0,1,0,1,0,0|2,0,0]=4 16157 B10R1.24 COCCCN1CC(C1)F 2230a_100000690557_100000740836 [0,1,0,1,0,0|2,0,0]=4 16158 B10R1.24 COCCCN1CC(C1)F 269982a_100000690557_100000740836 [0,1,0,1,0,0|2,0,0]=4 16159 B10R1.24 COCCCN1CC(C1)F 34a_100000690557_100000740836 [0,1,0,1,0,0|2,0,0]=4 16160 B10R1.24 COCCCN1CC(C1)O 269982a_100000749847_100000740836 [0,1,0,1,0,0|1,0,0]=3 16161 B10R1.24 COCCNC1CC(C1)F 2230a_100016993743_100011201679 [0,1,0,1,0,0|2,0,0]=4 16162 B10R1.24 COCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011201679 [0,1,0,1,0,0|1,0,0]=3 16163 B10R1.24 COCNCC1CC(C1)O 2230a_100016992100_100000766300 [0,1,0,1,0,0|1,0,0]=3 16164 B10R1.24 CSCCNC1CC(C1)F 2230a_100016993743_100000751147 [0,1,0,1,0,0|2,0,0]=4 16165 B10R1.24 CSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000751147 [0,1,0,1,0,0|1,0,0]=3 16166 B10R1.24 CSCNCC1CC(C1)O 2230a_100016992100_100011218213 [0,1,0,1,0,0|1,0,0]=3 16167 B10R1.24 CSCOCC1CC(C1)Cl 34a_100009874164_100011218213 [0,1,0,1,0,0|2,0,0]=4 16168 B10R1.24 FCCCCN1CC(C1)F 2230a_100000690557_100000729493 [0,1,0,1,0,0|2,0,0]=4 16169 B10R1.24 FCCCCN1CC(C1)F 269982a_100000690557_100000729493 [0,1,0,1,0,0|2,0,0]=4 16170 B10R1.24 FCCCCN1CC(C1)F 34a_100000690557_100000729493 [0,1,0,1,0,0|2,0,0]=4 16171 B10R1.24 FCCCNC1CC(C1)F 2230a_100016993743_100011934791 [0,1,0,1,0,0|2,0,0]=4 16172 B10R1.24 FCCOCC1CC(C1)Cl 34a_100009874164_100011217306 [0,1,0,1,0,0|2,0,0]=4 16173 B10R1.24 N#CCCCN1CC(C1)O 269982a_100000749847_100000687738 [0,1,0,1,0,0|1,0,1]=4 16174 B10R1.24 N#CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215226 [0,1,0,1,0,0|1,0,1]=4 16175 B10R1.24 N#CCNCC1CC(C1)O 2230a_100016992100_100011215382 [0,1,0,1,0,0|1,0,1]=4 16176 B10R1.24 O=CCCCN1CC(C1)O 269982a_100000749847_200011292268 [0,1,0,1,0,0|1,0,1]=4 16177 B10R1.24 O=CCNCC1CC(C1)O 2230a_100016992100_200015260668 [0,1,0,1,0,0|1,0,1]=4 16178 B10R1.24 OC1CC(C1)CNCCF 2230a_100016992100_100011217306 [0,1,0,1,0,0|1,0,0]=3 16179 B10R1.24 OC1CN(C1)CCCCF 269982a_100000749847_100000729493 [0,1,0,1,0,0|1,0,0]=3 16180 B10R1.24 OCCCCN1CC(C1)F 2230a_100000690557_100000210776 [0,1,0,1,0,0|2,0,0]=4 16181 B10R1.24 OCCCCN1CC(C1)F 269982a_100000690557_100000210776 [0,1,0,1,0,0|2,0,0]=4 16182 B10R1.24 OCCCCN1CC(C1)F 34a_100000690557_100011216708 [0,1,0,1,0,0|2,0,0]=4 16183 B10R1.24 OCCCCN1CC(C1)O 269982a_100000749847_100000210776 [0,1,0,1,0,0|1,0,0]=3 16184 B10R1.24 OCCCNC1CC(C1)F 2230a_100016993743_100000230001 [0,1,0,1,0,0|2,0,0]=4 16185 B10R1.24 OCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000230001 [0,1,0,1,0,0|1,0,0]=3 16186 B10R1.24 OCCNCC1CC(C1)O 2230a_100016992100_100000211926 [0,1,0,1,0,0|1,0,0]=3 16187 B10R1.24 OCCOCC1CC(C1)Cl 34a_100009874164_100000211926 [0,1,0,1,0,0|2,0,0]=4 16188 B10R1.24 O[C@H]1C[C@@H](C1)NCCCF 2230a_100020629032_100011934791 [0,1,0,1,0,0|1,0,0]=3 16189 B10R1.38 CC1(CNCCC1O[13CH3])C 34a_100000709803_200025704644 [0,1,0,1,0,0|2,0,0]=4 16190 B10R1.38 CCN1CCOCC1(C)C 2230a_100000724681_100000210202 [0,1,0,1,0,0|2,0,0]=4 16191 B10R1.38 CCN1CCOCC1(C)C 269982a_100000724681_100000204670 [0,1,0,1,0,0|2,0,0]=4 16192 B10R1.38 CCN1CCOCC1(C)C 34a_100000724681_100000210202 [0,1,0,1,0,0|2,0,0]=4 16193 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [0,1,0,1,0,0|1,0,0]=3 16194 B10R1.38 CNC1CCCCC1(F)F 2230a_100000686509_200000210301 [0,1,0,1,0,0|2,0,0]=4 16195 B10R1.38 CNC1CCCCC1(F)F 34a_100000686509_200000210301 [0,1,0,1,0,0|2,0,0]=4 16196 B10R1.38 CNC1CCCCC1(F)F 34a_100102657272_200009832135 [0,1,0,1,0,0|2,0,0]=4 16197 B10R1.38 CNC1CCNCC1(C)C 269862a_106832991636_100015191249 [0,1,0,1,0,0|2,0,0]=4 16198 B10R1.38 COC1CCCCC1(F)F 34a_100138415774_200009832135 [0,1,0,1,0,0|2,0,0]=4 16199 B10R1.38 COC1CCNCC1(C)C 34a_100000709803_200000210301 [0,1,0,1,0,0|2,0,0]=4 16200 B10R1.38 CSC1CCCCC1(F)F 62a_200000210301_200009832135 [0,1,0,1,0,0|2,0,0]=4 16201 B10R1.38 CSC1CCCCC1(F)F 62a_200009832135_200000210301 [0,1,0,1,0,0|2,0,0]=4 16202 B10R1.38 [13CH3]NC1CCCCC1(F)F 2230a_100000686509_200025704644 [0,1,0,1,0,0|2,0,0]=4 16203 B10R1.38 [13CH3]NC1CCCCC1(F)F 34a_100000686509_200025704644 [0,1,0,1,0,0|2,0,0]=4 16204 B10R1.38 [13CH3]SC1CCCCC1(F)F 62a_200009832135_200025704644 [0,1,0,1,0,0|2,0,0]=4 16205 B10R1.38 [13CH3]SC1CCCCC1(F)F 62a_200025704644_200009832135 [0,1,0,1,0,0|2,0,0]=4 16206 B10R1.39 CC(C)C1CCCN1CF 269982a_100000762757_100015361967 [0,1,0,1,0,0|2,0,0]=4 16207 B10R1.39 CC(C)C1CCCN1CF 34a_100000762757_100015361967 [0,1,0,1,0,0|2,0,0]=4 16208 B10R1.39 CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000210206 [0,1,0,1,0,0|2,0,0]=4 16209 B10R1.39 CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000210206 [0,1,0,1,0,0|2,0,0]=4 16210 B10R1.39 CC(C)N1CCC[C@@H]1CO 34a_100000745186_100000210206 [0,1,0,1,0,0|2,0,0]=4 16211 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,1,0,1,0,0|2,0,0]=4 16212 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|0,0,2]=4 16213 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|0,0,2]=4 16214 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|0,0,2]=4 16215 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|0,0,2]=4 16216 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [0,1,0,1,0,0|1,0,0]=3 16217 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [0,1,0,1,0,0|1,0,0]=3 16218 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [0,1,0,1,0,0|1,0,0]=3 16219 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|0,0,2]=4 16220 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|0,0,2]=4 16221 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [0,1,0,1,0,0|1,0,0]=3 16222 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [0,1,0,1,0,0|1,0,0]=3 16223 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [0,1,0,1,0,0|1,0,0]=3 16224 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|1,0,1]=4 16225 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,1,0,1,0,0|2,0,0]=4 16226 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,1,0,1,0,0|2,0,0]=4 16227 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,1,0,1,0,0|2,0,0]=4 16228 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,1,0,1,0,0|2,0,0]=4 16229 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,1,0,1,0,0|1,0,0]=3 16230 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,1,0,1,0,0|1,0,0]=3 16231 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,1,0,1,0,0|1,0,0]=3 16232 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,1,0,1,0,0|1,0,0]=3 16233 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,1,0,1,0,0|1,0,0]=3 16234 B10R1.56 CCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215890 [0,1,0,1,0,0|2,0,0]=4 16235 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215890 [0,1,0,1,0,0|2,0,0]=4 16236 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210147 [0,1,0,1,0,0|2,0,0]=4 16237 B10R1.56 CCSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000757381 [0,1,0,1,0,0|2,0,0]=4 16238 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000757381 [0,1,0,1,0,0|2,0,0]=4 16239 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757381 [0,1,0,1,0,0|2,0,0]=4 16240 B10R1.56 COCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000740836 [0,1,0,1,0,0|2,0,0]=4 16241 B10R1.56 COCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000740836 [0,1,0,1,0,0|2,0,0]=4 16242 B10R1.56 COCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000740836 [0,1,0,1,0,0|2,0,0]=4 16243 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,1,0,1,0,0|2,0,0]=4 16244 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,1,0,1,0,0|2,0,0]=4 16245 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,1,0,1,0,0|2,0,0]=4 16246 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,1,0,1,0,0|2,0,0]=4 16247 B10R1.56 FCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729493 [0,1,0,1,0,0|2,0,0]=4 16248 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729493 [0,1,0,1,0,0|2,0,0]=4 16249 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729493 [0,1,0,1,0,0|2,0,0]=4 16250 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [0,1,0,1,0,0|2,0,0]=4 16251 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [0,1,0,1,0,0|2,0,0]=4 16252 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [0,1,0,1,0,0|2,0,0]=4 16253 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|0,0,2]=4 16254 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|0,0,2]=4 16255 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|0,0,2]=4 16256 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|0,0,2]=4 16257 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|0,0,2]=4 16258 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|0,0,2]=4 16259 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|0,0,2]=4 16260 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [0,1,0,1,0,0|1,0,0]=3 16261 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [0,1,0,1,0,0|1,0,0]=3 16262 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [0,1,0,1,0,0|1,0,0]=3 16263 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [0,1,0,1,0,0|1,0,0]=3 16264 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [0,1,0,1,0,0|1,0,0]=3 16265 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [0,1,0,1,0,0|1,0,0]=3 16266 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [0,1,0,1,0,0|1,0,0]=3 16267 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [0,1,0,1,0,0|1,0,0]=3 16268 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [0,1,0,1,0,0|1,0,0]=3 16269 B10R1.61 CC(C)N1CCOC[C@@H]1C 2230a_100009815349_100000210206 [0,1,0,1,0,0|2,0,0]=4 16270 B10R1.61 CC(C)N1CCOC[C@@H]1C 269982a_100009815349_100000210206 [0,1,0,1,0,0|2,0,0]=4 16271 B10R1.61 CC(C)N1CCOC[C@@H]1C 34a_100009815349_100000210206 [0,1,0,1,0,0|2,0,0]=4 16272 B10R1.61 CC(C)[C@H]1COCCN1C 2230a_100025712635_200000210301 [0,1,0,1,0,0|2,0,0]=4 16273 B10R1.61 CC(C)[C@H]1COCCN1C 269982a_100025712635_200000210301 [0,1,0,1,0,0|2,0,0]=4 16274 B10R1.61 CC(C)[C@H]1COCCN1C 34a_100025712635_200000210301 [0,1,0,1,0,0|2,0,0]=4 16275 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 2230a_100025712635_200025704644 [0,1,0,1,0,0|2,0,0]=4 16276 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 269982a_100025712635_200025704644 [0,1,0,1,0,0|2,0,0]=4 16277 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 34a_100025712635_200025704644 [0,1,0,1,0,0|2,0,0]=4 16278 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|0,0,2]=4 16279 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,1,0,1,0,0|2,0,0]=4 16280 B10R1.61 CC1CNCCC1N(C)C 270004a_100102631434_100000703950 [0,1,0,1,0,0|2,0,0]=4 16281 B10R1.61 CC1COCCC1N(C)C 270004a_100102631434_100000755695 [0,1,0,1,0,0|2,0,0]=4 16282 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [0,1,0,1,0,0|2,0,0]=4 16283 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [0,1,0,1,0,0|2,0,0]=4 16284 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [0,1,0,1,0,0|2,0,0]=4 16285 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [0,1,0,1,0,0|2,0,0]=4 16286 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|1,0,1]=4 16287 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|0,0,2]=4 16288 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|0,0,2]=4 16289 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|1,0,1]=4 16290 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [0,1,0,1,0,0|1,0,1]=4 16291 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [0,1,0,1,0,0|1,0,1]=4 16292 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [0,1,0,1,0,0|1,0,1]=4 16293 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [0,1,0,1,0,0|1,0,1]=4 16294 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [0,1,0,1,0,0|1,0,1]=4 16295 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,1,0,1,0,0|1,0,0]=3 16296 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,1,0,1,0,0|1,0,0]=3 16297 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,1,0,1,0,0|1,0,0]=3 16298 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,1,0,1,0,0|1,0,0]=3 16299 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,1,0,1,0,0|1,0,0]=3 16300 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,1,0,1,0,0|1,0,0]=3 16301 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [0,1,0,1,0,0|1,0,0]=3 16302 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [0,1,0,1,0,0|1,0,0]=3 16303 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [0,1,0,1,0,0|1,0,0]=3 16304 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [0,1,0,1,0,0|1,0,0]=3 16305 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [0,1,0,1,0,0|1,0,0]=3 16306 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [0,1,0,1,0,0|1,0,0]=3 16307 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [0,1,0,1,0,0|1,0,0]=3 16308 B10R1.64 CC(C)CN1CCSC1C 2230a_200011216479_100000210760 [0,1,0,1,0,0|2,0,0]=4 16309 B10R1.64 CC(C)CN1CCSC1C 269982a_200011216479_100000210624 [0,1,0,1,0,0|2,0,0]=4 16310 B10R1.64 CC(C)CN1CCSC1C 270004a_200011216479_100000210432 [0,1,0,1,0,0|2,0,0]=4 16311 B10R1.64 CC(C)CN1CCSC1C 34a_200011216479_100000210624 [0,1,0,1,0,0|2,0,0]=4 16312 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [0,1,0,1,0,0|1,0,0]=3 16313 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [0,1,0,1,0,0|1,0,0]=3 16314 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210206 [0,1,0,1,0,0|2,0,0]=4 16315 B10R1.64 CC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000210206 [0,1,0,1,0,0|2,0,0]=4 16316 B10R1.64 CC(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100000210206 [0,1,0,1,0,0|2,0,0]=4 16317 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_100000210206_200016002552 [0,1,0,1,0,0|2,0,0]=4 16318 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000210206 [0,1,0,1,0,0|2,0,0]=4 16319 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,1,0,1,0,0|0,0,0]=2 16320 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,1,0,1,0,0|0,0,0]=2 16321 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,1,0,1,0,0|0,0,0]=2 16322 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,1,0,1,0,0|0,0,0]=2 16323 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,1,0,1,0,0|0,0,0]=2 16324 B10R1.64 CC(O)CN1CCSC1C 2230a_200011216479_100011218427 [0,1,0,1,0,0|1,0,0]=3 16325 B10R1.64 CC(O)CN1CCSC1C 269982a_200011216479_100011218427 [0,1,0,1,0,0|1,0,0]=3 16326 B10R1.64 CC(O)CN1CCSC1C 34a_200011216479_100011218427 [0,1,0,1,0,0|1,0,0]=3 16327 B10R1.64 CC1SCCN1C[C@@H](C)O 2230a_200011216479_100009817552 [0,1,0,1,0,0|1,0,0]=3 16328 B10R1.64 CC1SCCN1C[C@@H](C)O 269982a_200011216479_100009817552 [0,1,0,1,0,0|1,0,0]=3 16329 B10R1.64 CC1SCCN1C[C@@H](C)O 34a_200011216479_100009817552 [0,1,0,1,0,0|1,0,0]=3 16330 B10R1.64 CN(C)C[C@H]1CCCN1C 269982a_200020645772_200000210301 [0,1,0,1,0,0|2,0,0]=4 16331 B10R1.64 CN(C)C[C@H]1CCCN1[13CH3] 269982a_200020645772_200025704644 [0,1,0,1,0,0|2,0,0]=4 16332 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,1,0,1,0,0|0,0,0]=2 16333 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,1,0,1,0,0|0,0,0]=2 16334 B10R1.64 C[C@@H]1CCCN1CC(F)F 2230a_100015189458_100011934356 [0,1,0,1,0,0|2,0,0]=4 16335 B10R1.64 C[C@@H]1CCCN1CC(F)F 269982a_100015189458_100011934356 [0,1,0,1,0,0|2,0,0]=4 16336 B10R1.64 C[C@@H]1CCCN1CC(F)F 34a_100015189458_100011934356 [0,1,0,1,0,0|2,0,0]=4 16337 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,1,0,1,0,0|0,0,0]=2 16338 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,1,0,1,0,0|0,0,0]=2 16339 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,1,0,1,0,0|0,0,0]=2 16340 B10R1.64 C[C@H]1CCCN1CC(F)F 2230a_100020605311_100011934356 [0,1,0,1,0,0|2,0,0]=4 16341 B10R1.64 C[C@H]1CCCN1CC(F)F 269982a_100020605311_100011934356 [0,1,0,1,0,0|2,0,0]=4 16342 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,1,0,1,0,0|1,0,1]=4 16343 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,1,0,1,0,0|1,0,1]=4 16344 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,1,0,1,0,0|1,0,1]=4 16345 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,1,0,1,0,0|1,0,1]=4 16346 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,1,0,1,0,0|1,0,1]=4 16347 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,1,0,1,0,0|1,0,1]=4 16348 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,1,0,1,0,0|1,0,1]=4 16349 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,1,0,1,0,0|1,0,1]=4 16350 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,1,0,1,0,0|1,0,1]=4 16351 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|0,0,2]=4 16352 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|0,0,2]=4 16353 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|0,0,2]=4 16354 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|0,0,2]=4 16355 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|0,0,2]=4 16356 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|0,0,2]=4 16357 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|0,0,2]=4 16358 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|0,0,2]=4 16359 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|0,0,2]=4 16360 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|0,0,2]=4 16361 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|0,0,2]=4 16362 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|0,0,2]=4 16363 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [0,1,0,1,0,0|1,0,0]=3 16364 B10R1.66 CC(Br)COC1CCOC1 34a_100012180447_100000690089 [0,1,0,1,0,0|2,0,0]=4 16365 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [0,1,0,1,0,0|1,0,0]=3 16366 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [0,1,0,1,0,0|1,0,0]=3 16367 B10R1.66 CC(C)CCN1CCSC1 2230a_100011215254_100000210312 [0,1,0,1,0,0|2,0,0]=4 16368 B10R1.66 CC(C)CCN1CCSC1 269982a_100011215254_100000210312 [0,1,0,1,0,0|2,0,0]=4 16369 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [0,1,0,1,0,0|1,0,0]=3 16370 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [0,1,0,1,0,0|1,0,0]=3 16371 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [0,1,0,1,0,0|1,0,0]=3 16372 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [0,1,0,1,0,0|1,0,0]=3 16373 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [0,1,0,1,0,0|1,0,0]=3 16374 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [0,1,0,1,0,0|1,0,0]=3 16375 B10R1.66 CC(C)CNC1CCOC1 2230a_100000210953_100000731011 [0,1,0,1,0,0|2,0,0]=4 16376 B10R1.66 CC(C)CNC1CCOC1 270004a_100000210953_100000752484 [0,1,0,1,0,0|2,0,0]=4 16377 B10R1.66 CC(C)CNC1CCOC1 34a_100000210953_100000690089 [0,1,0,1,0,0|2,0,0]=4 16378 B10R1.66 CC(C)CNC1CCSC1 270004a_100000210953_100000212027 [0,1,0,1,0,0|2,0,0]=4 16379 B10R1.66 CC(C)CN[C@@H]1CCOC1 2230a_200015188469_100000210760 [0,1,0,1,0,0|2,0,0]=4 16380 B10R1.66 CC(C)CN[C@@H]1CCOC1 270004a_200015188469_100000210432 [0,1,0,1,0,0|2,0,0]=4 16381 B10R1.66 CC(C)CN[C@H]1CCOC1 2230a_100015188467_100000210760 [0,1,0,1,0,0|2,0,0]=4 16382 B10R1.66 CC(C)CN[C@H]1CCOC1 270004a_100015188467_100000210432 [0,1,0,1,0,0|2,0,0]=4 16383 B10R1.66 CC(C)CN[C@H]1CCOC1 34a_100015188467_100000210624 [0,1,0,1,0,0|2,0,0]=4 16384 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [0,1,0,1,0,0|1,0,0]=3 16385 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [0,1,0,1,0,0|1,0,0]=3 16386 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [0,1,0,1,0,0|1,0,0]=3 16387 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,1,0,1,0,0|2,0,0]=4 16388 B10R1.66 CC(C)COC1CCOC1 34a_100000210257_100000690089 [0,1,0,1,0,0|2,0,0]=4 16389 B10R1.66 CC(C)COC1CCSC1 7a_100011232664_100000210760 [0,1,0,1,0,0|2,0,0]=4 16390 B10R1.66 CC(C)CO[C@H]1CCOC1 34a_100000717292_100000210624 [0,1,0,1,0,0|2,0,0]=4 16391 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [0,1,0,1,0,0|1,0,0]=3 16392 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [0,1,0,1,0,0|1,0,0]=3 16393 B10R1.66 CC(C)CSC1CCOC1 62a_100000210624_100000690089 [0,1,0,1,0,0|2,0,0]=4 16394 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [0,1,0,1,0,0|1,0,0]=3 16395 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [0,1,0,1,0,0|1,0,0]=3 16396 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [0,1,0,1,0,0|1,0,0]=3 16397 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [0,1,0,1,0,0|1,0,0]=3 16398 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [0,1,0,1,0,0|2,0,0]=4 16399 B10R1.66 CC(C)NCC1CCOC1 2230a_100000737293_100000210206 [0,1,0,1,0,0|2,0,0]=4 16400 B10R1.66 CC(C)NCC1CCOC1 2230a_100138425928_100000702531 [0,1,0,1,0,0|2,0,0]=4 16401 B10R1.66 CC(C)NCC1CCOC1 34a_100000737293_100000210206 [0,1,0,1,0,0|2,0,0]=4 16402 B10R1.66 CC(C)NCC1CCOC1 34a_100138425928_100011261433 [0,1,0,1,0,0|2,0,0]=4 16403 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [0,1,0,1,0,0|2,0,0]=4 16404 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [0,1,0,1,0,0|2,0,0]=4 16405 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [0,1,0,1,0,0|1,0,0]=3 16406 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [0,1,0,1,0,0|1,0,0]=3 16407 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [0,1,0,1,0,0|1,0,0]=3 16408 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [0,1,0,1,0,0|2,0,0]=4 16409 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [0,1,0,1,0,0|2,0,0]=4 16410 B10R1.66 CC(C)OCC1CCNC1 34a_100000748654_100000210206 [0,1,0,1,0,0|2,0,0]=4 16411 B10R1.66 CC(C)OCC1CCOC1 34a_100000212225_100011261433 [0,1,0,1,0,0|2,0,0]=4 16412 B10R1.66 CC(C)OCC1CCOC1 34a_100000740260_100000210206 [0,1,0,1,0,0|2,0,0]=4 16413 B10R1.66 CC(C)OCN1CCCC1 2230a_100000188435_100000709892 [0,1,0,1,0,0|2,0,0]=4 16414 B10R1.66 CC(C)OCN1CCCC1 269982a_100000188435_100000709892 [0,1,0,1,0,0|2,0,0]=4 16415 B10R1.66 CC(C)OC[C@H]1CCCN1 34a_100000745186_100000210206 [0,1,0,1,0,0|2,0,0]=4 16416 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [0,1,0,1,0,0|1,0,0]=3 16417 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [0,1,0,1,0,0|1,0,0]=3 16418 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,1,0,1,0,0|2,0,0]=4 16419 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,1,0,1,0,0|2,0,0]=4 16420 B10R1.66 CC(C)SCC1CCOC1 62a_100000210206_100000702531 [0,1,0,1,0,0|2,0,0]=4 16421 B10R1.66 CC(C)SCC1CCOC1 62a_100000702531_100000210206 [0,1,0,1,0,0|2,0,0]=4 16422 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [0,1,0,1,0,0|1,0,0]=3 16423 B10R1.66 CC(F)COC1CCOC1 34a_100015925927_100000690089 [0,1,0,1,0,0|2,0,0]=4 16424 B10R1.66 CC(O)CCN1CC=CC1 269982a_100015195280_100012276601 [0,1,0,1,0,0|0,0,2]=4 16425 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,1,0,1,0,0|0,0,0]=2 16426 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,1,0,1,0,0|0,0,0]=2 16427 B10R1.66 CC(O)CCN1CCSC1 2230a_100011215254_100012276601 [0,1,0,1,0,0|1,0,0]=3 16428 B10R1.66 CC(O)CCN1CCSC1 269982a_100011215254_100012276601 [0,1,0,1,0,0|1,0,0]=3 16429 B10R1.66 CC(O)CNC1CC=CC1 2230a_100015188752_100011218427 [0,1,0,1,0,0|0,0,2]=4 16430 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,1,0,1,0,0|0,0,0]=2 16431 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,1,0,1,0,0|0,0,0]=2 16432 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,1,0,1,0,0|0,0,0]=2 16433 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|0,0,0]=2 16434 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,1,0,1,0,0|0,0,0]=2 16435 B10R1.66 CC(O)CNC1CCOC1 2230a_100000210904_100000731011 [0,1,0,1,0,0|1,0,0]=3 16436 B10R1.66 CC(O)CNC1CCOC1 270004a_100000210904_100000752484 [0,1,0,1,0,0|1,0,0]=3 16437 B10R1.66 CC(O)CNC1CCOC1 34a_100000210904_100000690089 [0,1,0,1,0,0|1,0,0]=3 16438 B10R1.66 CC(O)CNC1CCSC1 270004a_100000210904_100000212027 [0,1,0,1,0,0|1,0,0]=3 16439 B10R1.66 CC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218427 [0,1,0,1,0,0|1,0,0]=3 16440 B10R1.66 CC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218427 [0,1,0,1,0,0|1,0,0]=3 16441 B10R1.66 CC(O)CN[C@H]1CCOC1 34a_100015188467_100011218427 [0,1,0,1,0,0|1,0,0]=3 16442 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,1,0,1,0,0|0,0,0]=2 16443 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,1,0,1,0,0|0,0,0]=2 16444 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,1,0,1,0,0|1,0,0]=3 16445 B10R1.66 CC(O)COC1CCSC1 7a_100011232664_100011218427 [0,1,0,1,0,0|1,0,0]=3 16446 B10R1.66 CC(O)CO[C@H]1CCOC1 34a_100000717292_100011218427 [0,1,0,1,0,0|1,0,0]=3 16447 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,1,0,1,0,0|0,0,0]=2 16448 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,1,0,1,0,0|0,0,0]=2 16449 B10R1.66 CC(O)CSC1CCOC1 62a_100011218427_100000690089 [0,1,0,1,0,0|1,0,0]=3 16450 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 16451 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,1,0,1,0,0|2,0,0]=4 16452 B10R1.66 CN(C)CCN1CCCC1 2230a_100000225677_200000210301 [0,1,0,1,0,0|2,0,0]=4 16453 B10R1.66 CN(C)CCN1CCCC1 269982a_100000188435_100000755713 [0,1,0,1,0,0|2,0,0]=4 16454 B10R1.66 CN(C)CCN1CCCC1 269982a_100000225677_200000210301 [0,1,0,1,0,0|2,0,0]=4 16455 B10R1.66 CN(C)CCN1CCCC1 269982a_100102631434_100000004467 [0,1,0,1,0,0|2,0,0]=4 16456 B10R1.66 CN([13CH3])CCN1CCCC1 2230a_100000225677_200025704644 [0,1,0,1,0,0|2,0,0]=4 16457 B10R1.66 CN([13CH3])CCN1CCCC1 269982a_100000225677_200025704644 [0,1,0,1,0,0|2,0,0]=4 16458 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [0,1,0,1,0,0|1,0,0]=3 16459 B10R1.66 C[C@@H](Cl)COC1CCOC1 34a_100016084084_100000690089 [0,1,0,1,0,0|2,0,0]=4 16460 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [0,1,0,1,0,0|1,0,0]=3 16461 B10R1.66 C[C@@H](N)COC1CCOC1 34a_100000737577_100000690089 [0,1,0,1,0,0|2,0,0]=4 16462 B10R1.66 C[C@@H](O)CNC1CC=CC1 2230a_100015188752_100009817552 [0,1,0,1,0,0|0,0,2]=4 16463 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,1,0,1,0,0|0,0,0]=2 16464 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,1,0,1,0,0|0,0,0]=2 16465 B10R1.66 C[C@@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009817552 [0,1,0,1,0,0|1,0,0]=3 16466 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009817552 [0,1,0,1,0,0|1,0,0]=3 16467 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 34a_100015188467_100009817552 [0,1,0,1,0,0|1,0,0]=3 16468 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,1,0,1,0,0|0,0,0]=2 16469 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,1,0,1,0,0|0,0,0]=2 16470 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,1,0,1,0,0|1,0,0]=3 16471 B10R1.66 C[C@@H](O)COC1CCSC1 7a_100011232664_100009817552 [0,1,0,1,0,0|1,0,0]=3 16472 B10R1.66 C[C@@H](O)CO[C@H]1CCOC1 34a_100000717292_100009817552 [0,1,0,1,0,0|1,0,0]=3 16473 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,1,0,1,0,0|0,0,0]=2 16474 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,1,0,1,0,0|0,0,0]=2 16475 B10R1.66 C[C@@H](O)CSC1CCOC1 62a_100009817552_100000690089 [0,1,0,1,0,0|1,0,0]=3 16476 B10R1.66 FC(F)CNC1CCCC1 2230a_100000211070_100011934356 [0,1,0,1,0,0|2,0,0]=4 16477 B10R1.66 FC(F)CNC1CCCC1 270004a_100000765723_100000210133 [0,1,0,1,0,0|2,0,0]=4 16478 B10R1.66 FC(F)CNC1CCCC1 34a_100000211070_100011934356 [0,1,0,1,0,0|2,0,0]=4 16479 B10R1.66 FC(F)CNC1CCCC1 34a_100000765723_100000179811 [0,1,0,1,0,0|2,0,0]=4 16480 B10R1.66 FC(F)COC1CCCC1 34a_100000210269_100011934356 [0,1,0,1,0,0|2,0,0]=4 16481 B10R1.66 FC(F)COC1CCCC1 34a_100000743014_100000179811 [0,1,0,1,0,0|2,0,0]=4 16482 B10R1.66 FC(F)COC1CCCC1 7a_100000210269_100011934356 [0,1,0,1,0,0|2,0,0]=4 16483 B10R1.66 FC(F)CSC1CCCC1 62a_100011217020_100011934356 [0,1,0,1,0,0|2,0,0]=4 16484 B10R1.66 FC(F)CSC1CCCC1 62a_100011934356_100000179811 [0,1,0,1,0,0|2,0,0]=4 16485 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|1,0,1]=4 16486 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|0,0,2]=4 16487 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|0,0,2]=4 16488 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|0,0,2]=4 16489 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|0,0,2]=4 16490 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16491 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16492 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,1,0,1,0,0|2,0,0]=4 16493 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16494 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16495 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,1,0,1,0,0|2,0,0]=4 16496 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,1]=4 16497 B10R1.86 COCC1CCN1C(C)C 2230a_100015195929_100000210206 [0,1,0,1,0,0|2,0,0]=4 16498 B10R1.86 COCC1CCN1C(C)C 269982a_100015195929_100000210206 [0,1,0,1,0,0|2,0,0]=4 16499 B10R1.86 COCC1CCN1C(C)C 34a_100015195929_100000210206 [0,1,0,1,0,0|2,0,0]=4 16500 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,1,0,1,0,0|1,0,1]=4 16501 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,1,0,1,0,0|1,0,1]=4 16502 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,1,0,1,0,0|1,0,1]=4 16503 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,1,0,1,0,0|1,0,1]=4 16504 B10R1.126 C=C(C)CCOCC1CO1 34a_100000764851_102125554688 [0,1,0,1,0,0|1,0,1]=4 16505 B10R1.126 C=C(C)CCOC[C@@H]1CO1 34a_100000757423_100000730704 [0,1,0,1,0,0|1,0,1]=4 16506 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,1,0,1,0,0|1,0,1]=4 16507 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,1,0,1,0,0|1,0,1]=4 16508 B10R1.126 C=C(C)CCSCC1CO1 62a_100000730704_102125554688 [0,1,0,1,0,0|1,0,1]=4 16509 B10R1.126 C=C(C)CCSCC1CO1 62a_102125554688_100000730704 [0,1,0,1,0,0|1,0,1]=4 16510 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000730704_100000745022 [0,1,0,1,0,0|1,0,1]=4 16511 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000745022_100000730704 [0,1,0,1,0,0|1,0,1]=4 16512 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,1,0,1,0,0|1,0,1]=4 16513 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,1,0,1,0,0|1,0,1]=4 16514 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,1,0,1,0,0|1,0,1]=4 16515 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,1,0,1,0,0|1,0,1]=4 16516 B10R1.126 C=C(C)COCCC1CO1 34a_100000210245_100000732470 [0,1,0,1,0,0|1,0,1]=4 16517 B10R1.126 C=C(C)COCC[C@@H]1CO1 34a_100009820653_100000748629 [0,1,0,1,0,0|1,0,1]=4 16518 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,1,0,1,0,0|1,0,1]=4 16519 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,1,0,1,0,0|1,0,1]=4 16520 B10R1.126 C=C(C)CSCCC1CO1 62a_100000732470_100000211660 [0,1,0,1,0,0|1,0,1]=4 16521 B10R1.126 C=C(C)CSCCC1CO1 62a_100000748629_100000732470 [0,1,0,1,0,0|1,0,1]=4 16522 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|0,0,2]=4 16523 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|0,0,2]=4 16524 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|0,0,2]=4 16525 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|0,0,2]=4 16526 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|0,0,2]=4 16527 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|1,0,1]=4 16528 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|1,0,1]=4 16529 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|1,0,1]=4 16530 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|0,0,2]=4 16531 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|0,0,2]=4 16532 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|1,0,1]=4 16533 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|1,0,1]=4 16534 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|1,0,1]=4 16535 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|1,0,1]=4 16536 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|0,0,2]=4 16537 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|1,0,1]=4 16538 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [0,1,0,1,0,0|1,0,0]=3 16539 B10R1.126 CC(Br)CCOCC1CO1 34a_100009893172_102125554688 [0,1,0,1,0,0|1,0,0]=3 16540 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [0,1,0,1,0,0|1,0,0]=3 16541 B10R1.126 CC(Br)COCCC1CO1 34a_100012180447_100000732470 [0,1,0,1,0,0|1,0,0]=3 16542 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [0,1,0,1,0,0|1,0,0]=3 16543 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [0,1,0,1,0,0|1,0,0]=3 16544 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [0,1,0,1,0,0|1,0,0]=3 16545 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [0,1,0,1,0,0|1,0,0]=3 16546 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [0,1,0,1,0,0|1,0,0]=3 16547 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [0,1,0,1,0,0|1,0,0]=3 16548 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [0,1,0,1,0,0|1,0,0]=3 16549 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [0,1,0,1,0,0|1,0,0]=3 16550 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [0,1,0,1,0,0|1,0,0]=3 16551 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [0,1,0,1,0,0|1,0,0]=3 16552 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,1,0,1,0,0|1,0,0]=3 16553 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,1,0,1,0,0|1,0,0]=3 16554 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [0,1,0,1,0,0|1,1,0]=4 16555 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,1,0,1,0,0|1,0,0]=3 16556 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,1,0,1,0,0|1,0,0]=3 16557 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [0,1,0,1,0,0|1,0,0]=3 16558 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [0,1,0,1,0,0|1,0,0]=3 16559 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [0,1,0,1,0,0|1,0,0]=3 16560 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [0,1,0,1,0,0|1,0,0]=3 16561 B10R1.126 CC(C)CCSCC1CS1 62a_100000031435_100000210312 [0,1,0,1,0,0|1,1,0]=4 16562 B10R1.126 CC(C)CCSCC1CS1 62a_100000210312_100000031435 [0,1,0,1,0,0|1,1,0]=4 16563 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [0,1,0,1,0,0|1,0,0]=3 16564 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [0,1,0,1,0,0|1,0,0]=3 16565 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [0,1,0,1,0,0|1,0,0]=3 16566 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [0,1,0,1,0,0|1,0,0]=3 16567 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [0,1,0,1,0,0|1,0,0]=3 16568 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [0,1,0,1,0,0|1,0,0]=3 16569 B10R1.126 CC(C)CNCCC1CO1 2230a_100000210953_100000732470 [0,1,0,1,0,0|1,0,0]=3 16570 B10R1.126 CC(C)CNCCC1CO1 34a_100000210953_100000732470 [0,1,0,1,0,0|1,0,0]=3 16571 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [0,1,0,1,0,0|1,0,0]=3 16572 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [0,1,0,1,0,0|1,0,0]=3 16573 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [0,1,0,1,0,0|1,0,0]=3 16574 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [0,1,0,1,0,0|1,0,0]=3 16575 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [0,1,0,1,0,0|1,0,0]=3 16576 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [0,1,0,1,0,0|1,0,0]=3 16577 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [0,1,0,1,0,0|1,0,0]=3 16578 B10R1.126 CC(C)CSCCC1CO1 62a_100000210624_100000732470 [0,1,0,1,0,0|1,0,0]=3 16579 B10R1.126 CC(C)CSCCC1CO1 62a_100000732470_100000210760 [0,1,0,1,0,0|1,0,0]=3 16580 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [0,1,0,1,0,0|1,0,0]=3 16581 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [0,1,0,1,0,0|1,0,0]=3 16582 B10R1.126 CC(C)NCCOC1CC1 34a_100000224655_100000211595 [0,1,0,1,0,0|2,0,0]=4 16583 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [0,1,0,1,0,0|1,0,0]=3 16584 B10R1.126 CC(C)OCCNC1CC1 34a_100000212008_100000211751 [0,1,0,1,0,0|2,0,0]=4 16585 B10R1.126 CC(C)OCCNC1CC1 34a_100000701111_100000211595 [0,1,0,1,0,0|2,0,0]=4 16586 B10R1.126 CC(C)OCCNC1CC1 34a_100000738766_100000210206 [0,1,0,1,0,0|2,0,0]=4 16587 B10R1.126 CC(C)OCCOC1CC1 34a_100000211219_100000211595 [0,1,0,1,0,0|2,0,0]=4 16588 B10R1.126 CC(C)OCCSC1CC1 62a_100000211751_100000211595 [0,1,0,1,0,0|2,0,0]=4 16589 B10R1.126 CC(C)OCNCC1CC1 2230a_100000735609_100000709892 [0,1,0,1,0,0|2,0,0]=4 16590 B10R1.126 CC(C)OCNCC1CC1 34a_100000735609_100000709892 [0,1,0,1,0,0|2,0,0]=4 16591 B10R1.126 CC(C)OCOCC1CC1 34a_100000211283_100000709892 [0,1,0,1,0,0|2,0,0]=4 16592 B10R1.126 CC(C)OCOC[C@@H]1CO1 34a_100000757423_100000709892 [0,1,0,1,0,0|2,0,0]=4 16593 B10R1.126 CC(C)OCSCC1CC1 62a_100000709892_100000742324 [0,1,0,1,0,0|2,0,0]=4 16594 B10R1.126 CC(C)OCSCC1CC1 62a_100000756562_100000709892 [0,1,0,1,0,0|2,0,0]=4 16595 B10R1.126 CC(C)OCSCC1CO1 62a_100000709892_102125554688 [0,1,0,1,0,0|2,0,0]=4 16596 B10R1.126 CC(C)OCSCC1CO1 62a_102125554688_100000709892 [0,1,0,1,0,0|2,0,0]=4 16597 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000709892_100000745022 [0,1,0,1,0,0|2,0,0]=4 16598 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000745022_100000709892 [0,1,0,1,0,0|2,0,0]=4 16599 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [0,1,0,1,0,0|1,0,0]=3 16600 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [0,1,0,1,0,0|1,0,0]=3 16601 B10R1.126 CC(C)SCCNC1CC1 34a_100000212008_100000730970 [0,1,0,1,0,0|2,0,0]=4 16602 B10R1.126 CC(C)SCCNC1CC1 34a_100000731138_100000211595 [0,1,0,1,0,0|2,0,0]=4 16603 B10R1.126 CC(C)SCCOC1CC1 34a_200011212901_100000211595 [0,1,0,1,0,0|2,0,0]=4 16604 B10R1.126 CC(C)SCCSC1CC1 62a_100000730970_100000211595 [0,1,0,1,0,0|2,0,0]=4 16605 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [0,1,0,1,0,0|1,0,0]=3 16606 B10R1.126 CC(F)COCCC1CO1 34a_100015925927_100000732470 [0,1,0,1,0,0|1,0,0]=3 16607 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,1,0,1,0,0|0,0,0]=2 16608 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,1,0,1,0,0|0,0,0]=2 16609 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,1,0,1,0,0|0,0,0]=2 16610 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,1,0,1,0,0|0,0,0]=2 16611 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,1,0,1,0,0|0,0,0]=2 16612 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,1,0,1,0,0|0,0,0]=2 16613 B10R1.126 CC(O)CCNCC1CO1 2230a_200000755665_100011216344 [0,1,0,1,0,0|1,0,0]=3 16614 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,1,0,1,0,0|0,0,0]=2 16615 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [0,1,0,1,0,0|1,0,0]=3 16616 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,1,0,1,0,0|0,0,0]=2 16617 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,1,0,1,0,0|0,0,0]=2 16618 B10R1.126 CC(O)CCSCC1CO1 62a_100012276601_102125554688 [0,1,0,1,0,0|1,0,0]=3 16619 B10R1.126 CC(O)CCSCC1CO1 62a_102125554688_100012276601 [0,1,0,1,0,0|1,0,0]=3 16620 B10R1.126 CC(O)CCSCC1CS1 62a_100000031435_100012276601 [0,1,0,1,0,0|1,0,0]=3 16621 B10R1.126 CC(O)CCSCC1CS1 62a_100012276601_100000031435 [0,1,0,1,0,0|1,0,0]=3 16622 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100000745022_100012276601 [0,1,0,1,0,0|1,0,0]=3 16623 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100012276601_100000745022 [0,1,0,1,0,0|1,0,0]=3 16624 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,1,0,1,0,0|0,0,0]=2 16625 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|0,0,0]=2 16626 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,1,0,1,0,0|0,0,0]=2 16627 B10R1.126 CC(O)CNCCC1CO1 2230a_100000210904_100000732470 [0,1,0,1,0,0|1,0,0]=3 16628 B10R1.126 CC(O)CNCCC1CO1 34a_100000210904_100000732470 [0,1,0,1,0,0|1,0,0]=3 16629 B10R1.126 CC(O)CNN=CC1CC1 4a_200000730056_100000741477 [0,1,0,1,0,0|1,0,1]=4 16630 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,1,0,1,0,0|0,0,0]=2 16631 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,1,0,1,0,0|0,0,0]=2 16632 B10R1.126 CC(O)COCC[C@@H]1CO1 34a_100009820653_100011218427 [0,1,0,1,0,0|1,0,0]=3 16633 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,1,0,1,0,0|0,0,0]=2 16634 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,1,0,1,0,0|0,0,0]=2 16635 B10R1.126 CC(O)CSCCC1CO1 62a_100000732470_100011218427 [0,1,0,1,0,0|1,0,0]=3 16636 B10R1.126 CC(O)CSCCC1CO1 62a_100011218427_100000732470 [0,1,0,1,0,0|1,0,0]=3 16637 B10R1.126 CN(C)CCNCC1CC1 269862a_100000210585_100000741477 [0,1,0,1,0,0|2,0,0]=4 16638 B10R1.126 CN(C)CCSCC1CC1 62a_100000756562_100000755713 [0,1,0,1,0,0|2,0,0]=4 16639 B10R1.126 CN(C)CCSCC1CO1 62a_102125554688_100000755713 [0,1,0,1,0,0|2,0,0]=4 16640 B10R1.126 CN(C)CCSC[C@@H]1CO1 62a_100000745022_100000755713 [0,1,0,1,0,0|2,0,0]=4 16641 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [0,1,0,1,0,0|1,0,0]=3 16642 B10R1.126 C[C@@H](Cl)COCCC1CO1 34a_100016084084_100000732470 [0,1,0,1,0,0|1,0,0]=3 16643 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [0,1,0,1,0,0|1,0,0]=3 16644 B10R1.126 C[C@@H](N)CCOCC1CO1 34a_100000706166_102125554688 [0,1,0,1,0,0|1,0,0]=3 16645 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [0,1,0,1,0,0|1,0,0]=3 16646 B10R1.126 C[C@@H](N)COCCC1CO1 34a_100000737577_100000732470 [0,1,0,1,0,0|1,0,0]=3 16647 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,1,0,1,0,0|0,0,0]=2 16648 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,1,0,1,0,0|0,0,0]=2 16649 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,1,0,1,0,0|0,0,0]=2 16650 B10R1.126 C[C@@H](O)COCC[C@@H]1CO1 34a_100009820653_100009817552 [0,1,0,1,0,0|1,0,0]=3 16651 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,1,0,1,0,0|0,0,0]=2 16652 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,1,0,1,0,0|0,0,0]=2 16653 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100000732470_100009817552 [0,1,0,1,0,0|1,0,0]=3 16654 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100009817552_100000732470 [0,1,0,1,0,0|1,0,0]=3 16655 B10R1.126 FC(F)CCOCC1CC1 34a_100103093639_100000742324 [0,1,0,1,0,0|2,0,0]=4 16656 B10R1.126 FC(F)CCOCC1CO1 34a_100103093639_102125554688 [0,1,0,1,0,0|2,0,0]=4 16657 B10R1.126 FC(F)CNCCC1CC1 34a_100000764129_100011934356 [0,1,0,1,0,0|2,0,0]=4 16658 B10R1.126 FC(F)CNCCC1CC1 34a_100000765723_100000694398 [0,1,0,1,0,0|2,0,0]=4 16659 B10R1.126 FC(F)CNCCC1CO1 34a_100000765723_100000732470 [0,1,0,1,0,0|2,0,0]=4 16660 B10R1.126 FC(F)COCCC1CC1 34a_100000743014_100000694398 [0,1,0,1,0,0|2,0,0]=4 16661 B10R1.126 FC(F)COCCC1CC1 34a_100000754188_100011934356 [0,1,0,1,0,0|2,0,0]=4 16662 B10R1.126 FC(F)COCCC1CC1 7a_100000754188_100011934356 [0,1,0,1,0,0|2,0,0]=4 16663 B10R1.126 FC(F)COCCC1CO1 34a_100000743014_100000732470 [0,1,0,1,0,0|2,0,0]=4 16664 B10R1.126 FC(F)COCC[C@@H]1CO1 34a_100009820653_100011934356 [0,1,0,1,0,0|2,0,0]=4 16665 B10R1.126 FC(F)CSCCC1CC1 62a_100000764125_100011934356 [0,1,0,1,0,0|2,0,0]=4 16666 B10R1.126 FC(F)CSCCC1CC1 62a_100011934356_100000764125 [0,1,0,1,0,0|2,0,0]=4 16667 B10R1.126 FC(F)CSCCC1CO1 62a_100000732470_100011934356 [0,1,0,1,0,0|2,0,0]=4 16668 B10R1.126 FC(F)CSCCC1CO1 62a_100011934356_100000732470 [0,1,0,1,0,0|2,0,0]=4 16669 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|1,0,1]=4 16670 B10R1.133 CC1(CCCC1OCF)C 34a_100000726220_100015361967 [0,1,0,1,0,0|2,0,0]=4 16671 B10R1.133 CC1(CCCC1OCF)C 7a_100000726220_100015361967 [0,1,0,1,0,0|2,0,0]=4 16672 B10R1.133 CC1(CCCN1CCF)C 2230a_100000761399_100011217306 [0,1,0,1,0,0|2,0,0]=4 16673 B10R1.133 CC1(CCCN1CCF)C 269982a_100000761399_100011217306 [0,1,0,1,0,0|2,0,0]=4 16674 B10R1.133 CC1(CCCN1CCF)C 34a_100000761399_100011217306 [0,1,0,1,0,0|2,0,0]=4 16675 B10R1.133 CC1(CCCN1CCO)C 2230a_100000761399_100000211926 [0,1,0,1,0,0|2,0,0]=4 16676 B10R1.133 CC1(CCCN1CCO)C 269982a_100000761399_100000211926 [0,1,0,1,0,0|2,0,0]=4 16677 B10R1.133 CC1(CCCN1CCO)C 34a_100000761399_100000211926 [0,1,0,1,0,0|2,0,0]=4 16678 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [0,1,0,1,0,0|1,0,0]=3 16679 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [0,1,0,1,0,0|1,0,0]=3 16680 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [0,1,0,1,0,0|1,0,0]=3 16681 B10R1.133 CCCN1CCSC1(C)C 2230a_100011217261_100000210303 [0,1,0,1,0,0|2,0,0]=4 16682 B10R1.133 CCCN1CCSC1(C)C 269982a_100011217261_100000210303 [0,1,0,1,0,0|2,0,0]=4 16683 B10R1.133 CCCN1CCSC1(C)C 34a_100011217261_100000210303 [0,1,0,1,0,0|2,0,0]=4 16684 B10R1.133 CCCN1COCC1(C)C 2230a_100000043020_100000210303 [0,1,0,1,0,0|2,0,0]=4 16685 B10R1.133 CCCN1COCC1(C)C 269982a_100000043020_100000210303 [0,1,0,1,0,0|2,0,0]=4 16686 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [0,1,0,1,0,0|1,0,0]=3 16687 B10R1.133 CCNC1CCCC1(F)F 2230a_100000767123_100000210202 [0,1,0,1,0,0|2,0,0]=4 16688 B10R1.133 CCNC1CCCC1(F)F 34a_100000767123_100000210202 [0,1,0,1,0,0|2,0,0]=4 16689 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,1,0,1,0,0|0,0,0]=2 16690 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,1,0,1,0,0|0,0,0]=2 16691 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,1,0,1,0,0|1,0,0]=3 16692 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,1,0,1,0,0|1,0,0]=3 16693 B10R1.133 CCOC1CCCC1(F)F 34a_100121572206_100119073726 [0,1,0,1,0,0|2,0,0]=4 16694 B10R1.133 CCSC1CCCC1(F)F 62a_100000210202_100119073726 [0,1,0,1,0,0|2,0,0]=4 16695 B10R1.133 CCSC1CCCC1(F)F 62a_100119073726_100000210202 [0,1,0,1,0,0|2,0,0]=4 16696 B10R1.133 COCN1CCCC1(C)C 2230a_100000761399_100000766300 [0,1,0,1,0,0|2,0,0]=4 16697 B10R1.133 COCN1CCCC1(C)C 269982a_100000761399_100000766300 [0,1,0,1,0,0|2,0,0]=4 16698 B10R1.133 CSCN1CCCC1(C)C 2230a_100000761399_100011218213 [0,1,0,1,0,0|2,0,0]=4 16699 B10R1.133 CSCN1CCCC1(C)C 269982a_100000761399_100011218213 [0,1,0,1,0,0|2,0,0]=4 16700 B10R1.133 CSCN1CCCC1(C)C 34a_100000761399_100011218213 [0,1,0,1,0,0|2,0,0]=4 16701 B10R1.133 C[C@]1(CCC[C@H]1NCF)O 34a_100015977457_100015361967 [0,1,0,1,0,0|1,0,0]=3 16702 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,1,0,1,0,0|0,0,0]=2 16703 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,1,0,1,0,0|0,0,0]=2 16704 B10R1.162 CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210202 [0,1,0,1,0,0|1,0,0]=3 16705 B10R1.162 CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000204670 [0,1,0,1,0,0|1,0,0]=3 16706 B10R1.162 CN1CCOCC(C1)CO 2230a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 16707 B10R1.162 CN1CCOCC(C1)CO 269982a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 16708 B10R1.162 CN1CCOCC(C1)CO 34a_100103147999_200000210301 [0,1,0,1,0,0|2,0,0]=4 16709 B10R1.162 OC1CCCCN(C1)CF 269982a_100025706797_100015361967 [0,1,0,1,0,0|1,0,0]=3 16710 B10R1.162 O[C@H]1COCCN(C1)CF 269982a_100016073750_100015361967 [0,1,0,1,0,0|2,0,0]=4 16711 B10R1.162 [13CH3]N1CCOCC(C1)CO 2230a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 16712 B10R1.162 [13CH3]N1CCOCC(C1)CO 269982a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 16713 B10R1.162 [13CH3]N1CCOCC(C1)CO 34a_100103147999_200025704644 [0,1,0,1,0,0|2,0,0]=4 16714 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,1,0,1,0,0|2,0,0]=4 16715 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,1,0,1,0,0|2,0,0]=4 16716 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,1,0,1,0,0|1,0,0]=3 16717 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,1,0,1,0,0|2,0,0]=4 16718 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [0,1,0,1,0,0|1,0,0]=3 16719 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [0,1,0,1,0,0|1,0,0]=3 16720 B10R1.177 C#CCCCNCC1CO1 34a_100000718082_102125554688 [0,1,0,1,0,0|0,0,2]=4 16721 B10R1.177 C#CCCCOCC1CO1 34a_100000215630_102125554688 [0,1,0,1,0,0|0,0,2]=4 16722 B10R1.177 C#CCCCOCC1CO1 7a_100000215630_102125554688 [0,1,0,1,0,0|0,0,2]=4 16723 B10R1.177 C#CCCCOC[C@@H]1CO1 34a_100000757423_100000695029 [0,1,0,1,0,0|0,0,2]=4 16724 B10R1.177 C#CCCCOC[C@@H]1CO1 7a_100000215630_100000745022 [0,1,0,1,0,0|0,0,2]=4 16725 B10R1.177 C#CCCCSCC1CO1 62a_100011215417_102125554688 [0,1,0,1,0,0|0,0,2]=4 16726 B10R1.177 C#CCCCSCC1CO1 62a_102125554688_100011215417 [0,1,0,1,0,0|0,0,2]=4 16727 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100000745022_100011215417 [0,1,0,1,0,0|0,0,2]=4 16728 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100011215417_100000745022 [0,1,0,1,0,0|0,0,2]=4 16729 B10R1.177 C#CCCNCCC1CO1 34a_100000755551_100000732470 [0,1,0,1,0,0|0,0,2]=4 16730 B10R1.177 C#CCCOCCC1CO1 34a_100011215631_100000732470 [0,1,0,1,0,0|0,0,2]=4 16731 B10R1.177 C#CCCOCC[C@@H]1CO1 34a_100009820653_100000688953 [0,1,0,1,0,0|0,0,2]=4 16732 B10R1.177 C#CCCSCCC1CO1 62a_100000688953_100000732470 [0,1,0,1,0,0|0,0,2]=4 16733 B10R1.177 C#CCCSCCC1CO1 62a_100000732470_100000688953 [0,1,0,1,0,0|0,0,2]=4 16734 B10R1.177 C#CCNCCCC1CO1 34a_100000212058_100000733510 [0,1,0,1,0,0|0,0,2]=4 16735 B10R1.177 C#CCOCCCC1CO1 34a_100000210247_100000733510 [0,1,0,1,0,0|0,0,2]=4 16736 B10R1.177 C#CCSCCCC1CO1 62a_100000038162_100000733510 [0,1,0,1,0,0|0,0,2]=4 16737 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,1,0,1,0,0|0,0,2]=4 16738 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,1,0,1,0,0|0,0,2]=4 16739 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,1,0,1,0,0|0,0,2]=4 16740 B10R1.177 C/C=C/CSCCC1CO1 62a_100000732470_100102629194 [0,1,0,1,0,0|0,0,2]=4 16741 B10R1.177 C/C=C/CSCCC1CO1 62a_100102629194_100000732470 [0,1,0,1,0,0|0,0,2]=4 16742 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,1,0,1,0,0|0,0,2]=4 16743 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,1,0,1,0,0|0,0,2]=4 16744 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,1,0,1,0,0|0,0,2]=4 16745 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,1,0,1,0,0|0,0,2]=4 16746 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,1,0,1,0,0|0,0,2]=4 16747 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,1,0,1,0,0|0,0,2]=4 16748 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,1,0,1,0,0|0,0,2]=4 16749 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,1,0,1,0,0|0,0,2]=4 16750 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,1,0,1,0,0|0,0,2]=4 16751 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,1,0,1,0,0|0,0,2]=4 16752 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,1,0,1,0,0|0,0,2]=4 16753 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,1,0,1,0,0|0,0,2]=4 16754 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,1,0,1,0,0|0,0,2]=4 16755 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,1,0,1,0,0|0,0,2]=4 16756 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,1,0,1,0,0|0,0,2]=4 16757 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,1,0,1,0,0|0,0,2]=4 16758 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,1,0,1,0,0|0,0,2]=4 16759 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,1,0,1,0,0|0,0,2]=4 16760 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,1,0,1,0,0|0,0,2]=4 16761 B10R1.177 CC#CCCOCC1CO1 34a_100000750427_102125554688 [0,1,0,1,0,0|0,0,2]=4 16762 B10R1.177 CC#CCNCCC1CO1 2230a_100000685387_100000732470 [0,1,0,1,0,0|0,0,2]=4 16763 B10R1.177 CC#CCNCCC1CO1 34a_100000685387_100000732470 [0,1,0,1,0,0|0,0,2]=4 16764 B10R1.177 CC#CCOCCC1CO1 34a_100000761923_100000732470 [0,1,0,1,0,0|0,0,2]=4 16765 B10R1.177 CC#CCOCC[C@@H]1CO1 34a_100009820653_100000748600 [0,1,0,1,0,0|0,0,2]=4 16766 B10R1.177 CC#CCSCCC1CO1 62a_100000732470_100000748600 [0,1,0,1,0,0|0,0,2]=4 16767 B10R1.177 CC#CCSCCC1CO1 62a_100000748600_100000732470 [0,1,0,1,0,0|0,0,2]=4 16768 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,1,0,1,0,0|0,0,2]=4 16769 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,1,0,1,0,0|0,0,2]=4 16770 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,1,0,1,0,0|0,0,2]=4 16771 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,1,0,1,0,0|0,0,2]=4 16772 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,1,0,1,0,0|0,0,2]=4 16773 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,1,0,1,0,0|0,0,2]=4 16774 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,1,0,1,0,0|0,0,2]=4 16775 B10R1.177 CC=CCSCCC1CO1 62a_100000070051_100000732470 [0,1,0,1,0,0|0,0,2]=4 16776 B10R1.177 CC=CCSCCC1CO1 62a_100000732470_100000070051 [0,1,0,1,0,0|0,0,2]=4 16777 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,1,0,1,0,0|0,0,2]=4 16778 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,1,0,1,0,0|0,0,2]=4 16779 B10R1.177 CCC#CCSCC1CO1 62a_100009813939_102125554688 [0,1,0,1,0,0|0,0,2]=4 16780 B10R1.177 CCC#CCSCC1CO1 62a_102125554688_100009813939 [0,1,0,1,0,0|0,0,2]=4 16781 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100000745022_100009813939 [0,1,0,1,0,0|0,0,2]=4 16782 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100009813939_100000745022 [0,1,0,1,0,0|0,0,2]=4 16783 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,1,0,1,0,0|1,0,0]=3 16784 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,1,0,1,0,0|1,0,0]=3 16785 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,1,0,1,0,0|1,0,0]=3 16786 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,1,0,1,0,0|1,0,0]=3 16787 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,1,0,1,0,0|1,0,0]=3 16788 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,1,0,1,0,0|1,0,0]=3 16789 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,1,0,1,0,0|1,0,0]=3 16790 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|0,0,0]=2 16791 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,1,0,1,0,0|1,0,0]=3 16792 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,1,0,1,0,0|1,0,0]=3 16793 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,1,0,1,0,0|1,0,0]=3 16794 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|0,0,0]=2 16795 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|0,0,0]=2 16796 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,1,0,1,0,0|0,1,0]=3 16797 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|0,0,0]=2 16798 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|0,0,0]=2 16799 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,1,0,1,0,0|1,0,0]=3 16800 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,1,0,1,0,0|1,0,0]=3 16801 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|0,0,0]=2 16802 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|0,0,0]=2 16803 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,1,0,1,0,0|0,1,0]=3 16804 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,1,0,1,0,0|0,1,0]=3 16805 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|0,0,0]=2 16806 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|0,0,0]=2 16807 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,1,0,1,0,0|1,0,0]=3 16808 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,1,0,1,0,0|1,0,0]=3 16809 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,1,0,1,0,0|1,0,0]=3 16810 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|0,0,0]=2 16811 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|0,0,0]=2 16812 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,1,0,1,0,0|1,0,0]=3 16813 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,1,0,1,0,0|1,0,0]=3 16814 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,1,0,1,0,0|1,0,0]=3 16815 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,1,0,1,0,0|1,0,0]=3 16816 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|0,0,0]=2 16817 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|0,0,0]=2 16818 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|0,0,0]=2 16819 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [0,1,0,1,0,0|2,0,0]=4 16820 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [0,1,0,1,0,0|2,0,0]=4 16821 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,1,0,1,0,0|1,0,0]=3 16822 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,1,0,1,0,0|1,0,0]=3 16823 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|0,0,0]=2 16824 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|0,0,0]=2 16825 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|0,0,0]=2 16826 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [0,1,0,1,0,0|2,0,0]=4 16827 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [0,1,0,1,0,0|2,0,0]=4 16828 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [0,1,0,1,0,0|2,0,0]=4 16829 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,1,0,1,0,0|2,0,0]=4 16830 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [0,1,0,1,0,0|2,0,0]=4 16831 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|0,0,0]=2 16832 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|0,0,0]=2 16833 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [0,1,0,1,0,0|2,0,0]=4 16834 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [0,1,0,1,0,0|2,0,0]=4 16835 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [0,1,0,1,0,0|2,0,0]=4 16836 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [0,1,0,1,0,0|2,0,0]=4 16837 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [0,1,0,1,0,0|2,0,0]=4 16838 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,1,0,1,0,0|2,0,0]=4 16839 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,1,0,1,0,0|2,0,0]=4 16840 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,1,0,1,0,0|2,0,0]=4 16841 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,1,0,1,0,0|2,0,0]=4 16842 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,1,0,1,0,0|2,0,0]=4 16843 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,1,0,1,0,0|1,0,0]=3 16844 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,1,0,1,0,0|1,0,0]=3 16845 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,1,0,1,0,0|2,0,0]=4 16846 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,1,0,1,0,0|2,0,0]=4 16847 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,1,0,1,0,0|2,0,0]=4 16848 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,1,0,1,0,0|1,0,0]=3 16849 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,1,0,1,0,0|1,0,0]=3 16850 B10R1.177 CCOCCOCC1CS1 7a_100000210136_100000031435 [0,1,0,1,0,0|1,1,0]=4 16851 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,1,0,1,0,0|1,0,0]=3 16852 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,1,0,1,0,0|1,0,0]=3 16853 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,1,0,1,0,0|2,0,0]=4 16854 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,1,0,1,0,0|2,0,0]=4 16855 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,1,0,1,0,0|1,0,0]=3 16856 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,1,0,1,0,0|1,0,0]=3 16857 B10R1.177 CCOCCSCC1CS1 62a_100000031435_100011215890 [0,1,0,1,0,0|1,1,0]=4 16858 B10R1.177 CCOCCSCC1CS1 62a_100000210147_100000031435 [0,1,0,1,0,0|1,1,0]=4 16859 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,1,0,1,0,0|1,0,0]=3 16860 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,1,0,1,0,0|1,0,0]=3 16861 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [0,1,0,1,0,0|2,0,0]=4 16862 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [0,1,0,1,0,0|2,0,0]=4 16863 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,1,0,1,0,0|1,0,0]=3 16864 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,1,0,1,0,0|1,0,0]=3 16865 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [0,1,0,1,0,0|2,0,0]=4 16866 B10R1.177 CCSCCNCC1CC1 2230a_100000106463_100000742324 [0,1,0,1,0,0|2,0,0]=4 16867 B10R1.177 CCSCCNCC1CC1 2230a_100000735609_100000757381 [0,1,0,1,0,0|2,0,0]=4 16868 B10R1.177 CCSCCNCC1CC1 269862a_100000106463_100000741477 [0,1,0,1,0,0|2,0,0]=4 16869 B10R1.177 CCSCCNCC1CC1 34a_100000735609_100000757381 [0,1,0,1,0,0|2,0,0]=4 16870 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,1,0,1,0,0|1,0,0]=3 16871 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [0,1,0,1,0,0|2,0,0]=4 16872 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [0,1,0,1,0,0|2,0,0]=4 16873 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [0,1,0,1,0,0|2,0,0]=4 16874 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,1,0,1,0,0|1,0,0]=3 16875 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,1,0,1,0,0|1,0,0]=3 16876 B10R1.177 CCSCCOCC1CS1 7a_100000212035_100000031435 [0,1,0,1,0,0|1,1,0]=4 16877 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,1,0,1,0,0|1,0,0]=3 16878 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,1,0,1,0,0|1,0,0]=3 16879 B10R1.177 CCSCCSCC1CC1 62a_100000756562_100000757381 [0,1,0,1,0,0|2,0,0]=4 16880 B10R1.177 CCSCCSCC1CC1 62a_100000757381_100000742324 [0,1,0,1,0,0|2,0,0]=4 16881 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,1,0,1,0,0|1,0,0]=3 16882 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,1,0,1,0,0|1,0,0]=3 16883 B10R1.177 CCSCCSCC1CS1 62a_100000031435_100000757381 [0,1,0,1,0,0|1,1,0]=4 16884 B10R1.177 CCSCCSCC1CS1 62a_100000757381_100000031435 [0,1,0,1,0,0|1,1,0]=4 16885 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,1,0,1,0,0|1,0,0]=3 16886 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,1,0,1,0,0|1,0,0]=3 16887 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,1,0,1,0,0|2,0,0]=4 16888 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,1,0,1,0,0|1,0,0]=3 16889 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,1,0,1,0,0|2,0,0]=4 16890 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,1,0,1,0,0|2,0,0]=4 16891 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,1,0,1,0,0|2,0,0]=4 16892 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,1,0,1,0,0|2,0,0]=4 16893 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,1,0,1,0,0|2,0,0]=4 16894 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,1,0,1,0,0|2,0,0]=4 16895 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,1,0,1,0,0|2,0,0]=4 16896 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,1,0,1,0,0|1,0,0]=3 16897 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,1,0,1,0,0|2,0,0]=4 16898 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,1,0,1,0,0|2,0,0]=4 16899 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,1,0,1,0,0|1,0,0]=3 16900 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,1,0,1,0,0|1,0,0]=3 16901 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,1,0,1,0,0|2,0,0]=4 16902 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,1,0,1,0,0|2,0,0]=4 16903 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,1,0,1,0,0|1,0,0]=3 16904 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,1,0,1,0,0|1,0,0]=3 16905 B10R1.177 COCCCSCC1CS1 62a_100000031435_100000709357 [0,1,0,1,0,0|1,1,0]=4 16906 B10R1.177 COCCCSCC1CS1 62a_100000709357_100000031435 [0,1,0,1,0,0|1,1,0]=4 16907 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,1,0,1,0,0|1,0,0]=3 16908 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,1,0,1,0,0|1,0,0]=3 16909 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,1,0,1,0,0|2,0,0]=4 16910 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,1,0,1,0,0|2,0,0]=4 16911 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [0,1,0,1,0,0|1,0,0]=3 16912 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,1,0,1,0,0|2,0,0]=4 16913 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,1,0,1,0,0|2,0,0]=4 16914 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,1,0,1,0,0|2,0,0]=4 16915 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [0,1,0,1,0,0|1,0,0]=3 16916 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [0,1,0,1,0,0|1,0,0]=3 16917 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,1,0,1,0,0|2,0,0]=4 16918 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,1,0,1,0,0|2,0,0]=4 16919 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [0,1,0,1,0,0|1,0,0]=3 16920 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [0,1,0,1,0,0|1,0,0]=3 16921 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [0,1,0,1,0,0|1,0,0]=3 16922 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [0,1,0,1,0,0|1,0,0]=3 16923 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,1,0,1,0,0|2,0,0]=4 16924 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,1,0,1,0,0|2,0,0]=4 16925 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,1,0,1,0,0|2,0,0]=4 16926 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,1,0,1,0,0|1,0,0]=3 16927 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,1,0,1,0,0|2,0,0]=4 16928 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,1,0,1,0,0|2,0,0]=4 16929 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,1,0,1,0,0|1,0,0]=3 16930 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,1,0,1,0,0|1,0,0]=3 16931 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,1,0,1,0,0|1,1,0]=4 16932 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,1,0,1,0,0|1,0,0]=3 16933 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,1,0,1,0,0|2,0,0]=4 16934 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,1,0,1,0,0|2,0,0]=4 16935 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [0,1,0,1,0,0|1,0,0]=3 16936 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,1,0,1,0,0|2,0,0]=4 16937 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,1,0,1,0,0|2,0,0]=4 16938 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,1,0,1,0,0|2,0,0]=4 16939 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,1,0,1,0,0|2,0,0]=4 16940 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [0,1,0,1,0,0|1,0,0]=3 16941 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [0,1,0,1,0,0|1,0,0]=3 16942 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [0,1,0,1,0,0|1,0,0]=3 16943 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,1,0,1,0,0|2,0,0]=4 16944 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,1,0,1,0,0|2,0,0]=4 16945 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [0,1,0,1,0,0|1,0,0]=3 16946 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [0,1,0,1,0,0|1,0,0]=3 16947 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [0,1,0,1,0,0|1,0,0]=3 16948 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [0,1,0,1,0,0|1,0,0]=3 16949 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,1,0,1,0,0|2,0,0]=4 16950 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,1,0,1,0,0|2,0,0]=4 16951 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,1,0,1,0,0|2,0,0]=4 16952 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 16953 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 16954 B10R1.177 ClCCCCOCC1CS1 7a_100000210776_100000031435 [0,1,0,1,0,0|1,1,0]=4 16955 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,1,0,1,0,0|1,0,0]=3 16956 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,1,0,1,0,0|2,0,0]=4 16957 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [0,1,0,1,0,0|1,0,0]=3 16958 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,1,0,1,0,0|2,0,0]=4 16959 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,1,0,1,0,0|2,0,0]=4 16960 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,1,0,1,0,0|2,0,0]=4 16961 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,1,0,1,0,0|2,0,0]=4 16962 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,1,0,1,0,0|2,0,0]=4 16963 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,1,0,1,0,0|2,0,0]=4 16964 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,1,0,1,0,0|2,0,0]=4 16965 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,1,0,1,0,0|1,0,0]=3 16966 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,1,0,1,0,0|1,0,0]=3 16967 B10R1.177 FCCCCOCC1CS1 7a_100011995726_100000031435 [0,1,0,1,0,0|1,1,0]=4 16968 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,1,0,1,0,0|1,0,0]=3 16969 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,1,0,1,0,0|1,0,0]=3 16970 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,1,0,1,0,0|2,0,0]=4 16971 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,1,0,1,0,0|2,0,0]=4 16972 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,1,0,1,0,0|1,0,0]=3 16973 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,1,0,1,0,0|1,0,0]=3 16974 B10R1.177 FCCCCSCC1CS1 62a_100000031435_100000729493 [0,1,0,1,0,0|1,1,0]=4 16975 B10R1.177 FCCCCSCC1CS1 62a_100000729493_100000031435 [0,1,0,1,0,0|1,1,0]=4 16976 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,1,0,1,0,0|1,0,0]=3 16977 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,1,0,1,0,0|1,0,0]=3 16978 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,1,0,1,0,0|2,0,0]=4 16979 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,1,0,1,0,0|2,0,0]=4 16980 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,1,0,1,0,0|2,0,0]=4 16981 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [0,1,0,1,0,0|1,0,0]=3 16982 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [0,1,0,1,0,0|1,0,0]=3 16983 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,1,0,1,0,0|2,0,0]=4 16984 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,1,0,1,0,0|2,0,0]=4 16985 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,1,0,1,0,0|2,0,0]=4 16986 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [0,1,0,1,0,0|1,0,0]=3 16987 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [0,1,0,1,0,0|1,0,0]=3 16988 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,1,0,1,0,0|2,0,0]=4 16989 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,1,0,1,0,0|2,0,0]=4 16990 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [0,1,0,1,0,0|1,0,0]=3 16991 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [0,1,0,1,0,0|1,0,0]=3 16992 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [0,1,0,1,0,0|1,0,0]=3 16993 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [0,1,0,1,0,0|1,0,0]=3 16994 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [0,1,0,1,0,0|1,0,0]=3 16995 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,1,0,1,0,0|2,0,0]=4 16996 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,1,0,1,0,0|2,0,0]=4 16997 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,1,0,1,0,0|1,0,0]=3 16998 B10R1.177 N#CCCCSCC1CO1 62a_100000687738_102125554688 [0,1,0,1,0,0|1,0,1]=4 16999 B10R1.177 N#CCCCSCC1CO1 62a_102125554688_100000687738 [0,1,0,1,0,0|1,0,1]=4 17000 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000687738_100000745022 [0,1,0,1,0,0|1,0,1]=4 17001 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000745022_100000687738 [0,1,0,1,0,0|1,0,1]=4 17002 B10R1.177 N#CCCSCCC1CO1 62a_100000732470_100011215226 [0,1,0,1,0,0|1,0,1]=4 17003 B10R1.177 N#CCCSCCC1CO1 62a_100011215226_100000732470 [0,1,0,1,0,0|1,0,1]=4 17004 B10R1.177 N#CCSCCCC1CO1 62a_100000733510_100011215382 [0,1,0,1,0,0|1,0,1]=4 17005 B10R1.177 N#CCSCCCC1CO1 62a_100011215382_100000733510 [0,1,0,1,0,0|1,0,1]=4 17006 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|2,0,0]=4 17007 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|2,0,0]=4 17008 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|1,0,0]=3 17009 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,1,0,1,0,0|2,0,0]=4 17010 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,1,0,1,0,0|1,0,0]=3 17011 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,1,0,1,0,0|1,0,0]=3 17012 B10R1.177 NOCCOCCC1CO1 34a_100000700252_100000732470 [0,1,0,1,0,0|2,0,0]=4 17013 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,1,0,1,0,0|1,0,1]=4 17014 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,1,0,1,0,0|1,0,1]=4 17015 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,1,0,1,0,0|1,0,1]=4 17016 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,1,0,1,0,0|1,0,1]=4 17017 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,1,0,1,0,0|1,0,1]=4 17018 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,1,0,1,0,0|1,0,1]=4 17019 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,1,0,1,0,0|2,0,0]=4 17020 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|2,0,0]=4 17021 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,1,0,1,0,0|2,0,0]=4 17022 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,1,0,1,0,0|2,0,0]=4 17023 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,1,0,1,0,0|2,0,0]=4 17024 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,1,0,1,0,0|2,0,0]=4 17025 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,1,0,1,0,0|2,0,0]=4 17026 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|2,0,0]=4 17027 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,1,0,1,0,0|1,0,0]=3 17028 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,1,0,1,0,0|1,0,0]=3 17029 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,1,0,1,0,0|2,0,0]=4 17030 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,1,0,1,0,0|1,0,0]=3 17031 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,1,0,1,0,0|2,0,0]=4 17032 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,1,0,1,0,0|2,0,0]=4 17033 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,1,0,1,0,0|1,0,0]=3 17034 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,1,0,1,0,0|1,0,0]=3 17035 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [0,1,0,1,0,0|1,1,0]=4 17036 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [0,1,0,1,0,0|1,1,0]=4 17037 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,1,0,1,0,0|1,0,0]=3 17038 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,1,0,1,0,0|1,0,0]=3 17039 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,1,0,1,0,0|2,0,0]=4 17040 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,1,0,1,0,0|2,0,0]=4 17041 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,1,0,1,0,0|2,0,0]=4 17042 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,1,0,1,0,0|1,0,0]=3 17043 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,1,0,1,0,0|2,0,0]=4 17044 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,1,0,1,0,0|2,0,0]=4 17045 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,1,0,1,0,0|1,0,0]=3 17046 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,1,0,1,0,0|1,0,0]=3 17047 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,1,0,1,0,0|1,0,0]=3 17048 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,1,0,1,0,0|1,0,0]=3 17049 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,1,0,1,0,0|1,0,0]=3 17050 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,1,0,1,0,0|1,0,0]=3 17051 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|0,0,2]=4 17052 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|0,0,2]=4 17053 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|0,0,2]=4 17054 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|0,0,2]=4 17055 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|0,0,2]=4 17056 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|0,0,2]=4 17057 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,1,0,1,0,0|1,0,0]=3 17058 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,1,0,1,0,0|1,0,0]=3 17059 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,1,0,1,0,0|1,0,0]=3 17060 B10R1.348 CC(C)N1CCCOCC1 2230a_100000685342_100000210206 [0,1,0,1,0,0|2,0,0]=4 17061 B10R1.348 CC(C)N1CCCOCC1 269982a_100000685342_100000210206 [0,1,0,1,0,0|2,0,0]=4 17062 B10R1.348 CC(C)N1CCCOCC1 34a_100000685342_100000210206 [0,1,0,1,0,0|2,0,0]=4 17063 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17064 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17065 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,1,0,1,0,0|2,0,0]=4 17066 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,1,0,1,0,0|2,0,0]=4 17067 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,1,0,1,0,0|2,0,0]=4 17068 B10R1.348 CN(C)C1CCCNCC1 270004a_100102631434_100015187895 [0,1,0,1,0,0|2,0,0]=4 17069 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17070 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17071 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,1,0,1,0,0|2,0,0]=4 17072 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|0,0,2]=4 17073 B10R1.375 CC1(CC1COCCF)C 34a_100000728257_100011217306 [0,1,0,1,0,0|2,0,0]=4 17074 B10R1.375 CC1(CC1COCCF)C 7a_100000728257_100011217306 [0,1,0,1,0,0|2,0,0]=4 17075 B10R1.375 CC1(CC1COCCO)C 34a_100000728257_100000211926 [0,1,0,1,0,0|2,0,0]=4 17076 B10R1.375 CC1(CC1COCCO)C 7a_100000728257_100000211926 [0,1,0,1,0,0|2,0,0]=4 17077 B10R1.375 CC1(OC1COCCF)C 34a_200010283642_100011217306 [0,1,0,1,0,0|2,0,0]=4 17078 B10R1.375 CC1(OC1COCCF)C 7a_200010283642_100011217306 [0,1,0,1,0,0|2,0,0]=4 17079 B10R1.375 CC1(OC1COCCO)C 34a_200010283642_100000211926 [0,1,0,1,0,0|2,0,0]=4 17080 B10R1.375 CC1(OC1COCCO)C 7a_200010283642_100000211926 [0,1,0,1,0,0|2,0,0]=4 17081 B10R1.375 CCCCNC1CC1(F)F 2230a_100020610826_100000210211 [0,1,0,1,0,0|2,0,0]=4 17082 B10R1.375 CCCCNC1CC1(F)F 34a_100020610826_100000210210 [0,1,0,1,0,0|2,0,0]=4 17083 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [0,1,0,1,0,0|1,0,0]=3 17084 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [0,1,0,1,0,0|1,0,0]=3 17085 B10R1.375 CCCOCC1CC1(F)F 34a_100000056500_100000210303 [0,1,0,1,0,0|2,0,0]=4 17086 B10R1.375 CCCOCC1CC1(F)F 34a_100000210258_100009817841 [0,1,0,1,0,0|2,0,0]=4 17087 B10R1.375 CCCOCC1CC1(F)F 7a_100000056500_100000210303 [0,1,0,1,0,0|2,0,0]=4 17088 B10R1.375 CCCOCC1OC1(C)C 34a_200010283642_100000210303 [0,1,0,1,0,0|1,0,0]=3 17089 B10R1.375 CCCOCC1OC1(C)C 7a_200010283642_100000210303 [0,1,0,1,0,0|1,0,0]=3 17090 B10R1.375 CCCSCC1CC1(F)F 62a_100000210303_100009817841 [0,1,0,1,0,0|2,0,0]=4 17091 B10R1.375 CCCSCC1CC1(F)F 62a_100009817841_100000210303 [0,1,0,1,0,0|2,0,0]=4 17092 B10R1.375 CCOCCC1CC1(F)F 34a_100009864177_100000210202 [0,1,0,1,0,0|2,0,0]=4 17093 B10R1.375 CCOCCC1CC1(F)F 7a_100009864177_100000210202 [0,1,0,1,0,0|2,0,0]=4 17094 B10R1.375 CSCOCC1CC1(C)C 34a_100000728257_100011218213 [0,1,0,1,0,0|2,0,0]=4 17095 B10R1.375 CSCOCC1OC1(C)C 34a_200010283642_100011218213 [0,1,0,1,0,0|2,0,0]=4 17096 B10R1.8 CCN1CC(CC(C1)C)C 2230a_100000210448_100000210202 [0,1,0,1,0,0|2,0,0]=4 17097 B10R1.8 CCN1CC(CC(C1)C)C 269982a_100000210448_100000204670 [0,1,0,1,0,0|2,0,0]=4 17098 B10R1.8 CCN1CC(CC(C1)C)C 34a_100000210448_100000210202 [0,1,0,1,0,0|2,0,0]=4 17099 B10R1.8 CNC1CC(CC(C1)C)C 270004a_106832991635_100000753413 [0,1,0,1,0,0|2,0,0]=4 17100 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,1,0,1,0,0|1,0,1]=4 17101 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,1,0,1,0,0|0,0,1]=3 17102 B10R1.110 CC(O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218427 [0,1,0,1,0,0|1,0,1]=4 17103 B10R1.120 CC1(CC(CCN1[13CH3])O)C 2230a_100102422732_200025704644 [0,1,0,1,0,0|2,0,0]=4 17104 B10R1.120 CC1(CC(CCN1[13CH3])O)C 269982a_100102422732_200025704644 [0,1,0,1,0,0|2,0,0]=4 17105 B10R1.120 CN1CCC(CC1(C)C)O 2230a_100102422732_200000210301 [0,1,0,1,0,0|2,0,0]=4 17106 B10R1.120 CN1CCC(CC1(C)C)O 269982a_100102422732_200000210301 [0,1,0,1,0,0|2,0,0]=4 17107 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,1,0,1,0,0|1,0,1]=4 17108 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,1,0,1,0,0|1,0,1]=4 17109 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,1,0,1,0,0|0,0,1]=3 17110 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,1,0,1,0,0|0,1,1]=4 17111 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,1,0,1,0,0|0,0,1]=3 17112 B10R1.180 CCCCC(C)NC1CC1 34a_100000212008_200011215066 [0,1,0,1,0,0|2,0,0]=4 17113 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [0,1,0,1,0,0|2,0,0]=4 17114 B10R1.180 CCCCC(C)SC1CC1 62a_200011215066_100000211595 [0,1,0,1,0,0|2,0,0]=4 17115 B10R1.180 CCCCN(C)CC1CC1 2230a_100000207549_100000742324 [0,1,0,1,0,0|2,0,0]=4 17116 B10R1.180 CCCCN(C)CC1CC1 2230a_100000741881_100000210211 [0,1,0,1,0,0|2,0,0]=4 17117 B10R1.180 CCCCN(C)CC1CC1 269982a_100000207549_100000756562 [0,1,0,1,0,0|2,0,0]=4 17118 B10R1.180 CCCCN(C)CC1CC1 269982a_100000741881_100000210211 [0,1,0,1,0,0|2,0,0]=4 17119 B10R1.180 CCCCN(C)CC1CO1 2230a_100000207549_100011216344 [0,1,0,1,0,0|1,0,0]=3 17120 B10R1.180 CCCCN(C)CC1CO1 269982a_100000207549_102125554688 [0,1,0,1,0,0|1,0,0]=3 17121 B10R1.180 CCCCN(C)CC1CS1 269982a_100000207549_100000031435 [0,1,0,1,0,0|1,1,0]=4 17122 B10R1.180 CCCCN(C)C[C@@H]1CO1 269982a_100000207549_100000745022 [0,1,0,1,0,0|1,0,0]=3 17123 B10R1.180 CCCNC(C)CC1CC1 270004a_100020643023_200000686933 [0,1,0,1,0,0|2,0,0]=4 17124 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|1,0,1]=4 17125 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|1,0,1]=4 17126 B10R1.180 CCSCC(=O)CC1CO1 1458a_100000230394_100011216344 [0,1,0,1,0,0|1,0,1]=4 17127 B10R1.180 CCSCC(=O)C[C@@H]1CO1 1458a_100000230394_100000745022 [0,1,0,1,0,0|1,0,1]=4 17128 B10R1.180 CN(CCCO)CC1CO1 2230a_100000213112_100011216344 [0,1,0,1,0,0|2,0,0]=4 17129 B10R1.180 CN(CCCO)CC1CO1 269982a_100000213112_102125554688 [0,1,0,1,0,0|2,0,0]=4 17130 B10R1.180 CN(CCCO)C[C@@H]1CO1 269982a_100000213112_100000745022 [0,1,0,1,0,0|2,0,0]=4 17131 B10R1.180 COCCC(=O)CC1CO1 1458a_100000749529_100011216344 [0,1,0,1,0,0|1,0,1]=4 17132 B10R1.180 COCCC(=O)C[C@@H]1CO1 1458a_100000749529_100000745022 [0,1,0,1,0,0|1,0,1]=4 17133 B10R1.180 COCCN(C)CC1CO1 2230a_100000743101_100011216344 [0,1,0,1,0,0|2,0,0]=4 17134 B10R1.180 COCCN(C)CC1CO1 269982a_100000743101_102125554688 [0,1,0,1,0,0|2,0,0]=4 17135 B10R1.180 COCCN(C)C[C@@H]1CO1 269982a_100000743101_100000745022 [0,1,0,1,0,0|2,0,0]=4 17136 B10R1.180 CSCCC(=O)CC1CO1 1458a_100000174002_100011216344 [0,1,0,1,0,0|1,0,1]=4 17137 B10R1.180 CSCCC(=O)C[C@@H]1CO1 1458a_100000174002_100000745022 [0,1,0,1,0,0|1,0,1]=4 17138 B10R1.180 CSCCN(C)CC1CO1 2230a_100000686725_100011216344 [0,1,0,1,0,0|2,0,0]=4 17139 B10R1.180 CSCCN(C)CC1CO1 269982a_100000686725_102125554688 [0,1,0,1,0,0|2,0,0]=4 17140 B10R1.180 CSCCN(C)C[C@@H]1CO1 269982a_100000686725_100000745022 [0,1,0,1,0,0|2,0,0]=4 17141 B10R1.192 CC(C)N1C(CCC1C)C 2230a_100000687148_100000210206 [0,1,0,1,0,0|2,0,0]=4 17142 B10R1.192 CC(C)N1C(CCC1C)C 269982a_100000687148_100000210206 [0,1,0,1,0,0|2,0,0]=4 17143 B10R1.192 CC(C)N1C(CCC1C)C 34a_100000687148_100000210206 [0,1,0,1,0,0|2,0,0]=4 17144 B10R1.218 CC1(CN(C1)CCCF)O 2230a_100000718560_100011934791 [0,1,0,1,0,0|2,0,0]=4 17145 B10R1.218 CC1(CN(C1)CCCF)O 269982a_100000718560_100011934791 [0,1,0,1,0,0|2,0,0]=4 17146 B10R1.218 CC1(CN(C1)CCCO)O 2230a_100000718560_100000230001 [0,1,0,1,0,0|2,0,0]=4 17147 B10R1.218 CC1(CN(C1)CCCO)O 269982a_100000718560_100011215043 [0,1,0,1,0,0|2,0,0]=4 17148 B10R1.218 CCCCN1CC(C1)(C)C 2230a_100000753659_100000210211 [0,1,0,1,0,0|2,0,0]=4 17149 B10R1.218 CCCCN1CC(C1)(C)C 269982a_100000753659_100000210211 [0,1,0,1,0,0|2,0,0]=4 17150 B10R1.218 CCCCN1CC(C1)(C)F 2230a_100000696199_100000210211 [0,1,0,1,0,0|2,0,0]=4 17151 B10R1.218 CCCCN1CC(C1)(C)F 269982a_100000696199_100000210211 [0,1,0,1,0,0|2,0,0]=4 17152 B10R1.218 CCCCN1CC(C1)(C)O 2230a_100000718560_100000210211 [0,1,0,1,0,0|1,0,0]=3 17153 B10R1.218 CCCCN1CC(C1)(C)O 269982a_100000718560_100000210211 [0,1,0,1,0,0|1,0,0]=3 17154 B10R1.218 CCCCN1CC(C1)(F)F 2230a_100000684464_100000210211 [0,1,0,1,0,0|2,0,0]=4 17155 B10R1.218 CCCCN1CC(C1)(F)F 269982a_100000684464_100000210211 [0,1,0,1,0,0|2,0,0]=4 17156 B10R1.218 CCCNC1CC(C1)(F)F 2230a_100000756238_100000210303 [0,1,0,1,0,0|2,0,0]=4 17157 B10R1.218 CCCNC1CC(C1)(F)F 270004a_100020643023_100000144187 [0,1,0,1,0,0|2,0,0]=4 17158 B10R1.218 CCCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210303 [0,1,0,1,0,0|1,0,0]=3 17159 B10R1.218 CCCOC1CC(C1)(F)F 34a_100000144188_100000210303 [0,1,0,1,0,0|2,0,0]=4 17160 B10R1.218 CCCOC1CC(C1)(F)F 34a_100000210258_100010741680 [0,1,0,1,0,0|2,0,0]=4 17161 B10R1.218 CCCSC1CC(C1)(F)F 62a_100010741680_100000210303 [0,1,0,1,0,0|2,0,0]=4 17162 B10R1.218 CCNCC1CC(C1)(F)F 2230a_100000734121_100000210202 [0,1,0,1,0,0|2,0,0]=4 17163 B10R1.218 CCNCC1CC(C1)(F)F 2230a_100015525214_100009886855 [0,1,0,1,0,0|2,0,0]=4 17164 B10R1.218 CCNCC1CC(C1)(F)F 34a_100000734121_100000210202 [0,1,0,1,0,0|2,0,0]=4 17165 B10R1.218 CCNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000210202 [0,1,0,1,0,0|1,0,0]=3 17166 B10R1.218 CCOCC1CC(C1)(F)F 34a_100000060036_100000210202 [0,1,0,1,0,0|2,0,0]=4 17167 B10R1.218 CCOCC1CC(C1)(F)F 34a_100121572206_100009886855 [0,1,0,1,0,0|2,0,0]=4 17168 B10R1.218 CCOCN1CC(C1)(C)O 269982a_100000718560_100000739092 [0,1,0,1,0,0|2,0,0]=4 17169 B10R1.218 CCSCC1CC(C1)(F)F 62a_100000210202_100009886855 [0,1,0,1,0,0|2,0,0]=4 17170 B10R1.218 CCSCC1CC(C1)(F)F 62a_100009886855_100000210202 [0,1,0,1,0,0|2,0,0]=4 17171 B10R1.218 COCCN1CC(C1)(C)O 2230a_100000718560_100011201679 [0,1,0,1,0,0|2,0,0]=4 17172 B10R1.218 COCCN1CC(C1)(C)O 269982a_100000718560_100000233755 [0,1,0,1,0,0|2,0,0]=4 17173 B10R1.218 COCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000766300 [0,1,0,1,0,0|2,0,0]=4 17174 B10R1.218 CSCCN1CC(C1)(C)O 2230a_100000718560_100000751147 [0,1,0,1,0,0|2,0,0]=4 17175 B10R1.218 CSCCN1CC(C1)(C)O 269982a_100000718560_100000212216 [0,1,0,1,0,0|2,0,0]=4 17176 B10R1.218 CSCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100011218213 [0,1,0,1,0,0|2,0,0]=4 17177 B10R1.218 C[C@@]1(C[C@H](C1)NCCF)O 2230a_100121572536_100011217306 [0,1,0,1,0,0|2,0,0]=4 17178 B10R1.218 C[C@@]1(C[C@H](C1)NCCO)O 2230a_100121572536_100000211926 [0,1,0,1,0,0|2,0,0]=4 17179 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,1,0,1,0,0|1,0,1]=4 17180 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,1,0,1,0,0|1,0,1]=4 17181 B10R1.266 CC(C)CC(C)N1CCC1 269982a_100000754969_100000731052 [0,1,0,1,0,0|2,0,0]=4 17182 B10R1.266 CC(C)CN(C)C1CCC1 2230a_100000758072_100000210760 [0,1,0,1,0,0|2,0,0]=4 17183 B10R1.266 CC(C)CN(C)C1CCC1 269982a_100000747067_100000749161 [0,1,0,1,0,0|2,0,0]=4 17184 B10R1.266 CC(C)CN(C)C1CCC1 269982a_100000758072_100000210624 [0,1,0,1,0,0|2,0,0]=4 17185 B10R1.266 CC(C)CN(C)C1CCC1 270004a_100000747067_100000241760 [0,1,0,1,0,0|2,0,0]=4 17186 B10R1.266 CC(C)CN(C)C1CCC1 270004a_100000758072_100000210432 [0,1,0,1,0,0|2,0,0]=4 17187 B10R1.266 CC(C)CN(C)C1CCC1 34a_100000758072_100000210624 [0,1,0,1,0,0|2,0,0]=4 17188 B10R1.266 CC(C)NC(C)C1CCC1 2230a_100016994624_100000210206 [0,1,0,1,0,0|2,0,0]=4 17189 B10R1.266 CC(C)NC(C)C1CCC1 34a_100016994624_100000210206 [0,1,0,1,0,0|2,0,0]=4 17190 B10R1.266 CC(C)OC(C)C1CCC1 34a_100000766398_100000210206 [0,1,0,1,0,0|2,0,0]=4 17191 B10R1.266 CC(C)OC(C)C1CCC1 7a_100000766398_100000210206 [0,1,0,1,0,0|2,0,0]=4 17192 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,1,0,1,0,0|0,0,1]=3 17193 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,1,0,1,0,0|1,0,1]=4 17194 B10R1.266 CC(O)CC(=O)C1COC1 1458a_100000758290_100011218427 [0,1,0,1,0,0|1,0,1]=4 17195 B10R1.266 CC(O)CN(C)C1CCC1 2230a_100000758072_100011218427 [0,1,0,1,0,0|1,0,0]=3 17196 B10R1.266 CC(O)CN(C)C1CCC1 269982a_100000227577_100000749161 [0,1,0,1,0,0|1,0,0]=3 17197 B10R1.266 CC(O)CN(C)C1CCC1 269982a_100000758072_100011218427 [0,1,0,1,0,0|1,0,0]=3 17198 B10R1.266 CC(O)CN(C)C1CCC1 270004a_100000227577_100000241760 [0,1,0,1,0,0|1,0,0]=3 17199 B10R1.266 CC(O)CN(C)C1CCC1 34a_100000758072_100011218427 [0,1,0,1,0,0|1,0,0]=3 17200 B10R1.266 CC(O)CN(C)C1COC1 2230a_100102693430_100011218427 [0,1,0,1,0,0|2,0,0]=4 17201 B10R1.266 CC(O)CN(C)C1COC1 269982a_100000227577_100000687716 [0,1,0,1,0,0|2,0,0]=4 17202 B10R1.266 CC(O)CN(C)C1COC1 269982a_100102693430_100011218427 [0,1,0,1,0,0|2,0,0]=4 17203 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,1,0,1,0,0|0,0,1]=3 17204 B10R1.266 C[C@@H](O)CC(=O)C1COC1 1458a_100011933948_100000687716 [0,1,0,1,0,0|1,0,1]=4 17205 B10R1.266 C[C@@H](O)CC(=O)N1CCC1 240690a_100000754969_100011933948 [0,1,0,1,0,0|1,0,1]=4 17206 B10R1.266 C[C@@H](O)CN(C)C1CCC1 2230a_100000758072_100009817552 [0,1,0,1,0,0|1,0,0]=3 17207 B10R1.266 C[C@@H](O)CN(C)C1CCC1 269982a_100000758072_100009817552 [0,1,0,1,0,0|1,0,0]=3 17208 B10R1.266 C[C@@H](O)CN(C)C1CCC1 34a_100000758072_100009817552 [0,1,0,1,0,0|1,0,0]=3 17209 B10R1.266 C[C@@H](O)CN(C)C1COC1 2230a_100102693430_100009817552 [0,1,0,1,0,0|2,0,0]=4 17210 B10R1.266 C[C@@H](O)CN(C)C1COC1 269982a_100102693430_100009817552 [0,1,0,1,0,0|2,0,0]=4 17211 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,1,0,1,0,0|1,0,1]=4 17212 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,1,0,1,0,0|1,0,1]=4 17213 B10R1.268 CC(C)CC(C)NC1CC1 34a_100000212008_100000731052 [0,1,0,1,0,0|2,0,0]=4 17214 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [0,1,0,1,0,0|2,0,0]=4 17215 B10R1.268 CC(C)CC(C)SC1CC1 62a_100000731052_100000211595 [0,1,0,1,0,0|2,0,0]=4 17216 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000741881_100000210760 [0,1,0,1,0,0|2,0,0]=4 17217 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000747067_100000742324 [0,1,0,1,0,0|2,0,0]=4 17218 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000741881_100000210624 [0,1,0,1,0,0|2,0,0]=4 17219 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000747067_100000756562 [0,1,0,1,0,0|2,0,0]=4 17220 B10R1.268 CC(C)CN(C)CC1CC1 270004a_100000741881_100000210432 [0,1,0,1,0,0|2,0,0]=4 17221 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,1,0,1,0,0|0,0,1]=3 17222 B10R1.268 CC(O)CN(C)CC1CC1 2230a_100000227577_100000742324 [0,1,0,1,0,0|1,0,0]=3 17223 B10R1.268 CC(O)CN(C)CC1CC1 2230a_100000741881_100011218427 [0,1,0,1,0,0|1,0,0]=3 17224 B10R1.268 CC(O)CN(C)CC1CC1 269982a_100000227577_100000756562 [0,1,0,1,0,0|1,0,0]=3 17225 B10R1.268 CC(O)CN(C)CC1CC1 269982a_100000741881_100011218427 [0,1,0,1,0,0|1,0,0]=3 17226 B10R1.268 CC(O)CN(C)CC1CO1 2230a_100000227577_100011216344 [0,1,0,1,0,0|2,0,0]=4 17227 B10R1.268 CC(O)CN(C)CC1CO1 269982a_100000227577_102125554688 [0,1,0,1,0,0|2,0,0]=4 17228 B10R1.268 CC(O)CN(C)CC1CS1 269982a_100000227577_100000031435 [0,1,0,1,0,0|2,0,0]=4 17229 B10R1.268 CC(O)CN(C)C[C@@H]1CO1 269982a_100000227577_100000745022 [0,1,0,1,0,0|2,0,0]=4 17230 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,1,0,1,0,0|0,0,1]=3 17231 B10R1.268 C[C@@H](O)CC(=O)CC1CO1 1458a_100011933948_100011216344 [0,1,0,1,0,0|1,0,1]=4 17232 B10R1.268 C[C@@H](O)CC(=O)CC1CS1 1458a_100011933948_100000031435 [0,1,0,1,0,0|1,0,1]=4 17233 B10R1.268 C[C@@H](O)CC(=O)C[C@@H]1CO1 1458a_100011933948_100000745022 [0,1,0,1,0,0|1,0,1]=4 17234 B10R1.268 C[C@@H](O)CC(=O)NC1CC1 240690a_100000212008_100011933948 [0,1,0,1,0,0|1,0,1]=4 17235 B10R1.268 C[C@@H](O)CN(C)CC1CC1 2230a_100000741881_100009817552 [0,1,0,1,0,0|1,0,0]=3 17236 B10R1.268 C[C@@H](O)CN(C)CC1CC1 269982a_100000741881_100009817552 [0,1,0,1,0,0|1,0,0]=3 17237 B10R1.276 CC1(COCCN(C1)[13CH3])O 2230a_100011091861_200025704644 [0,1,0,1,0,0|2,0,0]=4 17238 B10R1.276 CC1(COCCN(C1)[13CH3])O 269982a_100011091861_200025704644 [0,1,0,1,0,0|2,0,0]=4 17239 B10R1.276 CN1CCOCC(C1)(C)O 2230a_100011091861_200000210301 [0,1,0,1,0,0|2,0,0]=4 17240 B10R1.276 CN1CCOCC(C1)(C)O 269982a_100011091861_200000210301 [0,1,0,1,0,0|2,0,0]=4 17241 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,1,0,1,0,0|1,0,1]=4 17242 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,1,0,1,0,0|1,0,1]=4 17243 B10R1.370 CC(C)OC1(CCCC1)C 34a_100000751722_100000210206 [0,1,0,1,0,0|2,0,0]=4 17244 B10R1.370 CC(C)OC1(CCCC1)C 7a_100000751722_100000210206 [0,1,0,1,0,0|2,0,0]=4 17245 B10R1.444 CNC1CC(CC1(C)C)C 269862a_106832991636_100000042959 [0,1,0,1,0,0|2,0,0]=4 17246 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 2230a_100020587339_200025704644 [0,1,0,1,0,0|1,0,0]=3 17247 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 269982a_100020587339_200025704644 [0,1,0,1,0,0|1,0,0]=3 17248 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 34a_100020587339_200025704644 [0,1,0,1,0,0|1,0,0]=3 17249 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 2230a_100020587339_200000210301 [0,1,0,1,0,0|1,0,0]=3 17250 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 269982a_100020587339_200000210301 [0,1,0,1,0,0|1,0,0]=3 17251 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 34a_100020587339_200000210301 [0,1,0,1,0,0|1,0,0]=3 17252 B10R1.65 C[C@@H]1CCCN1C(C)(C)C 269982a_100015189458_100000210625 [0,1,0,1,0,0|2,0,0]=4 17253 B10R1.65 C[C@@H]1CCCN1C(C)(C)C 34a_100015189458_100000210625 [0,1,0,1,0,0|2,0,0]=4 17254 B10R1.65 C[C@H]1CCCN1C(C)(C)C 269982a_100020605311_100000210625 [0,1,0,1,0,0|2,0,0]=4 17255 B10R1.70 CC1(CO1)CNCCCF 34a_100015189416_100000760498 [0,1,0,1,0,0|2,0,0]=4 17256 B10R1.70 CC1(CO1)COCCCBr 34a_100011217188_100000760498 [0,1,0,1,0,0|2,0,0]=4 17257 B10R1.70 CC1(CO1)COCCCCl 34a_100000230001_100000760498 [0,1,0,1,0,0|2,0,0]=4 17258 B10R1.70 CC1(CO1)COCCCF 34a_100000759539_100000760498 [0,1,0,1,0,0|2,0,0]=4 17259 B10R1.70 CC1(CO1)COCCCN 34a_100000182051_100000760498 [0,1,0,1,0,0|2,0,0]=4 17260 B10R1.70 CC1(CO1)CSCCCF 62a_100000760498_100011934791 [0,1,0,1,0,0|2,0,0]=4 17261 B10R1.70 CC1(CO1)CSCCCF 62a_100011934791_100000760498 [0,1,0,1,0,0|2,0,0]=4 17262 B10R1.70 CC1(CO1)CSCCCO 62a_100000760498_100011215043 [0,1,0,1,0,0|2,0,0]=4 17263 B10R1.70 CC1(CO1)CSCCCO 62a_100011215043_100000760498 [0,1,0,1,0,0|2,0,0]=4 17264 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [0,1,0,1,0,0|2,0,0]=4 17265 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,1,0,1,0,0|2,0,0]=4 17266 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [0,1,0,1,0,0|2,0,0]=4 17267 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,1,0,1,0,0|1,0,0]=3 17268 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,1,0,1,0,0|2,0,0]=4 17269 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,1,0,1,0,0|2,0,0]=4 17270 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,1,0,1,0,0|2,0,0]=4 17271 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [0,1,0,1,0,0|1,0,0]=3 17272 B10R1.70 CCCCSCC1(CO1)C 62a_100000210211_100000760498 [0,1,0,1,0,0|1,0,0]=3 17273 B10R1.70 CCCCSCC1(CO1)C 62a_100000760498_100000210210 [0,1,0,1,0,0|1,0,0]=3 17274 B10R1.70 CCCOCCC1(N=N1)C 34a_100009880064_100000210303 [0,1,0,1,0,0|2,0,0]=4 17275 B10R1.70 CCOCSCC1(CO1)C 62a_100000739092_100000760498 [0,1,0,1,0,0|2,0,0]=4 17276 B10R1.70 CCOCSCC1(CO1)C 62a_100000760498_100000739092 [0,1,0,1,0,0|2,0,0]=4 17277 B10R1.70 COCCNCC1(CC1)O 2230a_100011936951_100011201679 [0,1,0,1,0,0|2,0,0]=4 17278 B10R1.70 COCCOCC1(CO1)C 34a_100000210237_100000760498 [0,1,0,1,0,0|2,0,0]=4 17279 B10R1.70 COCCSCC1(CO1)C 62a_100000233755_100000760498 [0,1,0,1,0,0|2,0,0]=4 17280 B10R1.70 COCCSCC1(CO1)C 62a_100000760498_100000233755 [0,1,0,1,0,0|2,0,0]=4 17281 B10R1.70 CSCCNCC1(CC1)O 2230a_100011936951_100000751147 [0,1,0,1,0,0|2,0,0]=4 17282 B10R1.70 CSCCOCC1(CO1)C 34a_100000230434_100000760498 [0,1,0,1,0,0|2,0,0]=4 17283 B10R1.70 CSCCSCC1(CO1)C 62a_100000212216_100000760498 [0,1,0,1,0,0|2,0,0]=4 17284 B10R1.70 CSCCSCC1(CO1)C 62a_100000760498_100000751147 [0,1,0,1,0,0|2,0,0]=4 17285 B10R1.70 OC1(CC1)CNCCCF 2230a_100011936951_100011934791 [0,1,0,1,0,0|2,0,0]=4 17286 B10R1.70 OCCCNCC1(CC1)O 2230a_100011936951_100000230001 [0,1,0,1,0,0|2,0,0]=4 17287 B10R1.72 CC(C)(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000764493 [0,1,0,1,0,0|2,0,0]=4 17288 B10R1.72 CC1CC1COC(C)(C)C 34a_100000744939_100000210625 [0,1,0,1,0,0|2,0,0]=4 17289 B10R1.95 CC1(CCN(C1)CCF)O 2230a_100000718628_100011217306 [0,1,0,1,0,0|2,0,0]=4 17290 B10R1.95 CC1(CCN(C1)CCF)O 269982a_100000718628_100011217306 [0,1,0,1,0,0|2,0,0]=4 17291 B10R1.95 CC1(CCN(C1)CCO)O 2230a_100000718628_100000211926 [0,1,0,1,0,0|2,0,0]=4 17292 B10R1.95 CC1(CCN(C1)CCO)O 269982a_100000718628_100000211926 [0,1,0,1,0,0|2,0,0]=4 17293 B10R1.95 CC1(OCC(O1)CO[13CH3])C 34a_100000729170_200025704644 [0,1,0,1,0,0|2,0,0]=4 17294 B10R1.95 CC1(OCC(O1)CO[13CH3])C 7a_100000729170_200025704644 [0,1,0,1,0,0|2,0,0]=4 17295 B10R1.95 CC1(OCC(O1)CS[13CH3])C 62a_100000198056_200025704644 [0,1,0,1,0,0|2,0,0]=4 17296 B10R1.95 CC1(OCC(O1)CS[13CH3])C 62a_200025704644_100000198056 [0,1,0,1,0,0|2,0,0]=4 17297 B10R1.95 CC1(OC[C@@H](O1)CN[13CH3])C 34a_100015982057_200025704644 [0,1,0,1,0,0|2,0,0]=4 17298 B10R1.95 CC1(OC[C@@H](O1)CS[13CH3])C 62a_100015422573_200025704644 [0,1,0,1,0,0|2,0,0]=4 17299 B10R1.95 CC1(OC[C@@H](O1)CS[13CH3])C 62a_200025704644_100015422573 [0,1,0,1,0,0|2,0,0]=4 17300 B10R1.95 CCCN1CCC(C1)(C)C 2230a_100000764714_100000210303 [0,1,0,1,0,0|2,0,0]=4 17301 B10R1.95 CCCN1CCC(C1)(C)C 269982a_100000764714_100000210303 [0,1,0,1,0,0|2,0,0]=4 17302 B10R1.95 CCCN1CCC(C1)(C)O 2230a_100000718628_100000210303 [0,1,0,1,0,0|1,0,0]=3 17303 B10R1.95 CCCN1CCC(C1)(C)O 269982a_100000718628_100000210303 [0,1,0,1,0,0|1,0,0]=3 17304 B10R1.95 CCCN1CCC(C1)(F)F 2230a_100000697292_100000210303 [0,1,0,1,0,0|2,0,0]=4 17305 B10R1.95 CCCN1CCC(C1)(F)F 269982a_100000697292_100000210303 [0,1,0,1,0,0|2,0,0]=4 17306 B10R1.95 CCCN1CCC(C1)(F)F 34a_100000697292_100000210303 [0,1,0,1,0,0|2,0,0]=4 17307 B10R1.95 CCNC1CCC(C1)(C)C 270004a_100015525214_100000759959 [0,1,0,1,0,0|2,0,0]=4 17308 B10R1.95 CCNC1CCC(C1)(F)F 2230a_100000689000_100000210202 [0,1,0,1,0,0|2,0,0]=4 17309 B10R1.95 CCNC1CCC(C1)(F)F 34a_100000689000_100000210202 [0,1,0,1,0,0|2,0,0]=4 17310 B10R1.95 CNCC1COC(O1)(C)C 2230a_106832991635_100009884615 [0,1,0,1,0,0|2,0,0]=4 17311 B10R1.95 CNC[C@H]1COC(O1)(C)C 2230a_106832991635_100015422573 [0,1,0,1,0,0|2,0,0]=4 17312 B10R1.95 CNC[C@H]1COC(O1)(C)C 270004a_106832991635_100009815026 [0,1,0,1,0,0|2,0,0]=4 17313 B10R1.95 CNC[C@H]1COC(O1)(C)C 34a_100015982057_200000210301 [0,1,0,1,0,0|2,0,0]=4 17314 B10R1.95 CNC[C@H]1COC(O1)(C)C 7a_106832991635_100015422573 [0,1,0,1,0,0|2,0,0]=4 17315 B10R1.95 COCC1COC(O1)(C)C 34a_100000729170_200000210301 [0,1,0,1,0,0|2,0,0]=4 17316 B10R1.95 COCC1COC(O1)(C)C 7a_100000729170_200000210301 [0,1,0,1,0,0|2,0,0]=4 17317 B10R1.95 COCN1CCC(C1)(C)O 2230a_100000718628_100000766300 [0,1,0,1,0,0|2,0,0]=4 17318 B10R1.95 COCN1CCC(C1)(C)O 269982a_100000718628_100000766300 [0,1,0,1,0,0|2,0,0]=4 17319 B10R1.95 CSCC1COC(O1)(C)C 62a_100000198056_200000210301 [0,1,0,1,0,0|2,0,0]=4 17320 B10R1.95 CSCC1COC(O1)(C)C 62a_200000210301_100000198056 [0,1,0,1,0,0|2,0,0]=4 17321 B10R1.95 CSCN1CCC(C1)(C)O 2230a_100000718628_100011218213 [0,1,0,1,0,0|2,0,0]=4 17322 B10R1.95 CSCN1CCC(C1)(C)O 269982a_100000718628_100011218213 [0,1,0,1,0,0|2,0,0]=4 17323 B10R1.95 CSC[C@H]1COC(O1)(C)C 62a_100015422573_200000210301 [0,1,0,1,0,0|2,0,0]=4 17324 B10R1.95 CSC[C@H]1COC(O1)(C)C 62a_200000210301_100015422573 [0,1,0,1,0,0|2,0,0]=4 17325 B10R1.106 CC1CCN1CC(C)(C)C 34a_100000755817_100011219605 [0,1,0,1,0,0|2,0,0]=4 17326 B10R1.106 CC1CCN1CC(C)(C)F 34a_100000755817_100011997219 [0,1,0,1,0,0|2,0,0]=4 17327 B10R1.106 CC1CCN1CC(C)(C)O 34a_100000755817_100000764493 [0,1,0,1,0,0|1,0,0]=3 17328 B10R1.209 CC(C)(C)CCN1CCC1 269982a_100000754969_100000755188 [0,1,0,1,0,0|2,0,0]=4 17329 B10R1.209 CC(C)(C)CNC1CCC1 270004a_100000743828_100000241760 [0,1,0,1,0,0|2,0,0]=4 17330 B10R1.209 CC(C)(C)CNC1CCC1 34a_100000749019_100011219605 [0,1,0,1,0,0|2,0,0]=4 17331 B10R1.209 CC(C)(C)COC1CCC1 34a_100000748187_100011219605 [0,1,0,1,0,0|2,0,0]=4 17332 B10R1.209 CC(C)(C)CSC1CCC1 62a_100011219605_100000749161 [0,1,0,1,0,0|2,0,0]=4 17333 B10R1.209 CC(C)(C)NCC1CCC1 2230a_100000715429_100000763275 [0,1,0,1,0,0|2,0,0]=4 17334 B10R1.209 CC(C)(C)NCC1CCC1 34a_100000738700_100000210625 [0,1,0,1,0,0|2,0,0]=4 17335 B10R1.209 CC(C)(C)OCC1CCC1 34a_100000760304_100000210625 [0,1,0,1,0,0|2,0,0]=4 17336 B10R1.209 CC(C)(C)OCC1CCC1 34a_100015890283_100000763275 [0,1,0,1,0,0|2,0,0]=4 17337 B10R1.209 CC(C)(C)OCC1CCC1 7a_100015890283_100000763275 [0,1,0,1,0,0|2,0,0]=4 17338 B10R1.209 CC(C)(C)SCC1CCC1 62a_100000211941_100000763275 [0,1,0,1,0,0|2,0,0]=4 17339 B10R1.209 CC(C)(C)SCC1CCC1 62a_100000763275_100000211941 [0,1,0,1,0,0|2,0,0]=4 17340 B10R1.209 CC(C)(F)CNC1CCC1 270004a_100020643315_100000241760 [0,1,0,1,0,0|2,0,0]=4 17341 B10R1.209 CC(C)(F)CNC1CCC1 34a_100000749019_100011997219 [0,1,0,1,0,0|2,0,0]=4 17342 B10R1.209 CC(C)(F)COC1CCC1 34a_100000716592_100000749161 [0,1,0,1,0,0|2,0,0]=4 17343 B10R1.209 CC(C)(F)COC1CCC1 34a_100000748187_100011997219 [0,1,0,1,0,0|2,0,0]=4 17344 B10R1.209 CC(C)(F)CSC1CCC1 62a_100011997219_100000749161 [0,1,0,1,0,0|2,0,0]=4 17345 B10R1.209 CC(C)(O)CNC1CCC1 270004a_100000751335_100000241760 [0,1,0,1,0,0|1,0,0]=3 17346 B10R1.209 CC(C)(O)CNC1CCC1 34a_100000749019_100000764493 [0,1,0,1,0,0|1,0,0]=3 17347 B10R1.209 CC(C)(O)COC1CCC1 34a_100000748187_100000764493 [0,1,0,1,0,0|1,0,0]=3 17348 B10R1.209 CC(C)(O)COC1CSC1 7a_100000072292_100000764493 [0,1,0,1,0,0|2,0,0]=4 17349 B10R1.209 CC(C)(O)CSC1CCC1 62a_100000764493_100000749161 [0,1,0,1,0,0|1,0,0]=3 17350 B10R1.209 CC(C)(O)CSC1COC1 62a_100000764493_100009818527 [0,1,0,1,0,0|2,0,0]=4 17351 B10R1.209 CC(F)(F)CNC1CCC1 270004a_100000731000_100000241760 [0,1,0,1,0,0|2,0,0]=4 17352 B10R1.209 CC(F)(F)COC1CCC1 34a_100000068830_100000749161 [0,1,0,1,0,0|2,0,0]=4 17353 B10R1.210 CC(C)(C)CCNC1CC1 34a_100000212008_100000755188 [0,1,0,1,0,0|2,0,0]=4 17354 B10R1.210 CC(C)(C)CCSC1CC1 62a_100000755188_100000211595 [0,1,0,1,0,0|2,0,0]=4 17355 B10R1.210 CC(C)(C)CNCC1CC1 2230a_100000743828_100000742324 [0,1,0,1,0,0|2,0,0]=4 17356 B10R1.210 CC(C)(C)CNCC1CC1 269862a_100000743828_100000741477 [0,1,0,1,0,0|2,0,0]=4 17357 B10R1.210 CC(C)(C)CNCC1CC1 270004a_100000735609_100011204126 [0,1,0,1,0,0|2,0,0]=4 17358 B10R1.210 CC(C)(C)CNCC1CC1 34a_100000735609_100011219605 [0,1,0,1,0,0|2,0,0]=4 17359 B10R1.210 CC(C)(C)COCC1CC1 34a_100000211283_100011219605 [0,1,0,1,0,0|2,0,0]=4 17360 B10R1.210 CC(C)(C)CSCC1CC1 62a_100000756562_100011219605 [0,1,0,1,0,0|2,0,0]=4 17361 B10R1.210 CC(C)(C)CSCC1CC1 62a_100011219605_100000742324 [0,1,0,1,0,0|2,0,0]=4 17362 B10R1.210 CC(C)(C)NCCC1CC1 2230a_100000715429_100000694398 [0,1,0,1,0,0|2,0,0]=4 17363 B10R1.210 CC(C)(C)NCCC1CC1 34a_100000764129_100000210625 [0,1,0,1,0,0|2,0,0]=4 17364 B10R1.210 CC(C)(C)OCCC1CC1 34a_100000754188_100000210625 [0,1,0,1,0,0|2,0,0]=4 17365 B10R1.210 CC(C)(C)OCCC1CC1 34a_100015890283_100000694398 [0,1,0,1,0,0|2,0,0]=4 17366 B10R1.210 CC(C)(C)OCCC1CC1 7a_100015890283_100000764125 [0,1,0,1,0,0|2,0,0]=4 17367 B10R1.210 CC(C)(C)SCCC1CC1 62a_100000211941_100000764125 [0,1,0,1,0,0|2,0,0]=4 17368 B10R1.210 CC(C)(C)SCCC1CC1 62a_100000764125_100000211941 [0,1,0,1,0,0|2,0,0]=4 17369 B10R1.210 CC(C)(F)CNCC1CC1 2230a_100020643315_100000742324 [0,1,0,1,0,0|2,0,0]=4 17370 B10R1.210 CC(C)(F)CNCC1CC1 269862a_100020643315_100000741477 [0,1,0,1,0,0|2,0,0]=4 17371 B10R1.210 CC(C)(F)CNCC1CC1 34a_100000735609_100011997219 [0,1,0,1,0,0|2,0,0]=4 17372 B10R1.210 CC(C)(F)COCC1CC1 34a_100000211283_100011997219 [0,1,0,1,0,0|2,0,0]=4 17373 B10R1.210 CC(C)(F)COCC1CC1 34a_100000716592_100000742324 [0,1,0,1,0,0|2,0,0]=4 17374 B10R1.210 CC(C)(F)CSCC1CC1 62a_100000756562_100011997219 [0,1,0,1,0,0|2,0,0]=4 17375 B10R1.210 CC(C)(F)CSCC1CC1 62a_100011997219_100000742324 [0,1,0,1,0,0|2,0,0]=4 17376 B10R1.210 CC(C)(O)CCNC1CC1 34a_100000212008_100000702414 [0,1,0,1,0,0|1,0,0]=3 17377 B10R1.210 CC(C)(O)CCSC1CC1 62a_100000702414_100000211595 [0,1,0,1,0,0|1,0,0]=3 17378 B10R1.210 CC(C)(O)CNCC1CC1 2230a_100000751335_100000742324 [0,1,0,1,0,0|1,0,0]=3 17379 B10R1.210 CC(C)(O)CNCC1CC1 269862a_100000751335_100000741477 [0,1,0,1,0,0|1,0,0]=3 17380 B10R1.210 CC(C)(O)CNCC1CC1 34a_100000735609_100000764493 [0,1,0,1,0,0|1,0,0]=3 17381 B10R1.210 CC(C)(O)CNCC1CO1 2230a_100000751335_100011216344 [0,1,0,1,0,0|2,0,0]=4 17382 B10R1.210 CC(C)(O)COCC1CC1 34a_100000211283_100000764493 [0,1,0,1,0,0|1,0,0]=3 17383 B10R1.210 CC(C)(O)COC[C@@H]1CO1 34a_100000757423_100000764493 [0,1,0,1,0,0|2,0,0]=4 17384 B10R1.210 CC(C)(O)CSCC1CC1 62a_100000756562_100000764493 [0,1,0,1,0,0|1,0,0]=3 17385 B10R1.210 CC(C)(O)CSCC1CC1 62a_100000764493_100000742324 [0,1,0,1,0,0|1,0,0]=3 17386 B10R1.210 CC(C)(O)CSCC1CO1 62a_100000764493_102125554688 [0,1,0,1,0,0|2,0,0]=4 17387 B10R1.210 CC(C)(O)CSCC1CO1 62a_102125554688_100000764493 [0,1,0,1,0,0|2,0,0]=4 17388 B10R1.210 CC(C)(O)CSCC1CS1 62a_100000031435_100000764493 [0,1,0,1,0,0|2,0,0]=4 17389 B10R1.210 CC(C)(O)CSCC1CS1 62a_100000764493_100000031435 [0,1,0,1,0,0|2,0,0]=4 17390 B10R1.210 CC(C)(O)CSC[C@@H]1CO1 62a_100000745022_100000764493 [0,1,0,1,0,0|2,0,0]=4 17391 B10R1.210 CC(C)(O)CSC[C@@H]1CO1 62a_100000764493_100000745022 [0,1,0,1,0,0|2,0,0]=4 17392 B10R1.210 CC(F)(F)CNCC1CC1 269862a_100000731000_100000741477 [0,1,0,1,0,0|2,0,0]=4 17393 B10R1.210 CC(F)(F)COCC1CC1 34a_100000068830_100000742324 [0,1,0,1,0,0|2,0,0]=4 17394 B10R1.281 CC(C)(C)CN1CCCC1 270004a_100000188435_100011204126 [0,1,0,1,0,0|2,0,0]=4 17395 B10R1.281 CC(C)(C)NC1CCCC1 2230a_100000715429_100000179811 [0,1,0,1,0,0|2,0,0]=4 17396 B10R1.281 CC(C)(C)NC1CCCC1 34a_100000211070_100000210625 [0,1,0,1,0,0|2,0,0]=4 17397 B10R1.281 CC(C)(C)OC1CCCC1 34a_100000210269_100000210625 [0,1,0,1,0,0|2,0,0]=4 17398 B10R1.281 CC(C)(C)OC1CCCC1 34a_100015890283_100000179811 [0,1,0,1,0,0|2,0,0]=4 17399 B10R1.281 CC(C)(C)OC1CCCC1 7a_100015890283_100000179811 [0,1,0,1,0,0|2,0,0]=4 17400 B10R1.281 CC(C)(C)SC1CCCC1 62a_100000211941_100000179811 [0,1,0,1,0,0|2,0,0]=4 17401 B10R1.281 CC(C)(C)SC1CCCC1 62a_100011217020_100000211941 [0,1,0,1,0,0|2,0,0]=4 17402 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,1,0,1,0,0|2,0,0]=4 17403 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,1,0,1,0,0|2,0,0]=4 17404 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,1,0,1,0,0|2,0,0]=4 17405 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17406 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17407 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,1,0,1,0,0|2,0,0]=4 17408 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17409 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17410 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,1,0,1,0,0|2,0,0]=4 17411 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,1,0,1,0,0|2,0,0]=4 17412 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,1,0,1,0,0|2,0,0]=4 17413 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,1,0,1,0,0|2,0,0]=4 17414 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [0,1,0,1,0,0|2,0,0]=4 17415 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [0,1,0,1,0,0|2,0,0]=4 17416 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [0,1,0,1,0,0|2,0,0]=4 17417 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,1,0,1,0,0|1,0,0]=3 17418 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,1,0,1,0,0|1,0,0]=3 17419 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,1,0,1,0,0|2,0,0]=4 17420 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,1,0,1,0,0|1,0,0]=3 17421 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,1,0,1,0,0|2,0,0]=4 17422 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,1,0,1,0,0|2,0,0]=4 17423 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,1,0,1,0,0|2,0,0]=4 17424 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,1,0,1,0,0|2,0,0]=4 17425 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,1,0,1,0,0|2,0,0]=4 17426 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,1,0,1,0,0|2,0,0]=4 17427 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,1,0,1,0,0|2,0,0]=4 17428 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,1,0,1,0,0|2,0,0]=4 17429 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,1,0,1,0,0|2,0,0]=4 17430 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,1,0,1,0,0|2,0,0]=4 17431 B10R1.1 COCN1CCC(CC1)O 2230a_100025773856_100000766300 [0,1,0,1,0,0|2,0,0]=4 17432 B10R1.1 COCN1CCC(CC1)O 269982a_100025773856_100000766300 [0,1,0,1,0,0|2,0,0]=4 17433 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,1,0,1,0,0|2,0,0]=4 17434 B10R1.1 CSCN1CCC(CC1)O 2230a_100025773856_100011218213 [0,1,0,1,0,0|2,0,0]=4 17435 B10R1.1 CSCN1CCC(CC1)O 269982a_100025773856_100011218213 [0,1,0,1,0,0|2,0,0]=4 17436 B10R1.1 OC1CCN(CC1)CCF 2230a_100025773856_100011217306 [0,1,0,1,0,0|2,0,0]=4 17437 B10R1.1 OC1CCN(CC1)CCF 269982a_100025773856_100011217306 [0,1,0,1,0,0|2,0,0]=4 17438 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [0,1,0,1,0,0|2,0,0]=4 17439 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [0,1,0,1,0,0|2,0,0]=4 17440 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,1,0,1,0,0|2,0,0]=4 17441 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,1,0,1,0,0|2,0,0]=4 17442 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,1,0,1,0,0|2,0,0]=4 17443 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 17444 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|2,0,0]=4 17445 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,1,0,1,0,0|2,0,0]=4 17446 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,1,0,1,0,0|2,0,0]=4 17447 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 17448 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|2,0,0]=4 17449 B10R1.15 CC(CO)N1CCCOC1 2230a_100000131196_100012180447 [0,1,0,1,0,0|2,0,0]=4 17450 B10R1.15 CC(CO)N1CCCOC1 34a_100000131196_100012180447 [0,1,0,1,0,0|2,0,0]=4 17451 B10R1.15 CC(CO)N1CCOCC1 2230a_100015191051_100012180447 [0,1,0,1,0,0|2,0,0]=4 17452 B10R1.15 CC(CO)N1CCOCC1 34a_100015191051_100012180447 [0,1,0,1,0,0|2,0,0]=4 17453 B10R1.15 CC(CO)N1CCSCC1 2230a_100000737611_100012180447 [0,1,0,1,0,0|2,0,0]=4 17454 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|0,0,0]=2 17455 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|0,0,0]=2 17456 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,1,0,0|1,0,0]=3 17457 B10R1.15 CC(O[13CH3])C1CCNCC1 34a_100011728446_200025704644 [0,1,0,1,0,0|1,0,0]=3 17458 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|0,0,2]=4 17459 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|0,0,2]=4 17460 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 17461 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 17462 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 17463 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,1,0,0|2,0,0]=4 17464 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,1,0,0|2,0,0]=4 17465 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,1,0,0|2,0,0]=4 17466 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,1,0,0|2,0,0]=4 17467 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 17468 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 17469 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,1,0,0|2,0,0]=4 17470 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,1,0,1,0,0|2,0,0]=4 17471 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,1,0,1,0,0|2,0,0]=4 17472 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|0,0,2]=4 17473 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|0,0,2]=4 17474 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|0,0,2]=4 17475 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|0,0,2]=4 17476 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,1,0,0|1,0,0]=3 17477 B10R1.15 CNC(C)C1CCCCN1 269862a_106832991636_200011997754 [0,1,0,1,0,0|2,0,0]=4 17478 B10R1.15 CNC(C)C1CCCNC1 269862a_106832991636_100011320585 [0,1,0,1,0,0|2,0,0]=4 17479 B10R1.15 CNC(C)C1CCNCC1 269862a_106832991636_100015204191 [0,1,0,1,0,0|2,0,0]=4 17480 B10R1.15 CNC(C)C1CCOCC1 269862a_106832991636_100000759496 [0,1,0,1,0,0|2,0,0]=4 17481 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,1,0,0|1,0,0]=3 17482 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,1,0,0|1,0,0]=3 17483 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|0,0,0]=2 17484 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|0,0,0]=2 17485 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,1,0,0|1,0,0]=3 17486 B10R1.15 COC(C)C1CCNCC1 34a_100011728446_200000210301 [0,1,0,1,0,0|1,0,0]=3 17487 B10R1.15 COC(C)N1CCCOC1 269982a_100000131196_100009879195 [0,1,0,1,0,0|2,0,0]=4 17488 B10R1.15 COC(C)N1CCOCC1 269982a_100015191051_100009879195 [0,1,0,1,0,0|2,0,0]=4 17489 B10R1.15 COC(C)N1CCSCC1 269982a_100000737611_100009879195 [0,1,0,1,0,0|2,0,0]=4 17490 B10R1.15 CO[C@H](C)C1CCOCC1 34a_100000703848_200000210301 [0,1,0,1,0,0|1,0,0]=3 17491 B10R1.15 CO[C@H](C)C1CCOCC1 7a_100000703848_200000210301 [0,1,0,1,0,0|1,0,0]=3 17492 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,1,0,0|1,0,0]=3 17493 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,1,0,0|1,0,0]=3 17494 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 34a_100000703848_200025704644 [0,1,0,1,0,0|1,0,0]=3 17495 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 7a_100000703848_200025704644 [0,1,0,1,0,0|1,0,0]=3 17496 B10R1.15 C[C@H](CO)N1CCCOC1 269982a_100000131196_100016084084 [0,1,0,1,0,0|2,0,0]=4 17497 B10R1.15 C[C@H](CO)N1CCOCC1 269982a_100015191051_100016084084 [0,1,0,1,0,0|2,0,0]=4 17498 B10R1.15 C[C@H](CO)N1CCSCC1 269982a_100000737611_100016084084 [0,1,0,1,0,0|2,0,0]=4 17499 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|0,0,2]=4 17500 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,2]=4 17501 B10R1.27 C#CC(C)NC1CCCC1 2230a_100000707721_100000179811 [0,1,0,1,0,0|2,0,0]=4 17502 B10R1.27 C#CC(C)NC1CCCC1 270004a_100000707721_100000210133 [0,1,0,1,0,0|2,0,0]=4 17503 B10R1.27 C#CC(C)NC1CCCC1 34a_100000211070_200000035995 [0,1,0,1,0,0|2,0,0]=4 17504 B10R1.27 C#CC(C)NC1CCCC1 34a_100000707721_100000179811 [0,1,0,1,0,0|2,0,0]=4 17505 B10R1.27 C#CC(C)OC1CCCC1 34a_100000210269_200000035995 [0,1,0,1,0,0|2,0,0]=4 17506 B10R1.27 C#CC(C)SC1CCCC1 62a_200000035995_100000179811 [0,1,0,1,0,0|2,0,0]=4 17507 B10R1.27 C#C[C@@H](C)OC1CCCC1 34a_100009815206_100000179811 [0,1,0,1,0,0|2,0,0]=4 17508 B10R1.27 C#C[C@@H](C)OC1CCCC1 7a_100009815206_100000179811 [0,1,0,1,0,0|2,0,0]=4 17509 B10R1.27 C=CC(C)OC1CCCC1 34a_100000695699_100000179811 [0,1,0,1,0,0|2,0,0]=4 17510 B10R1.27 C=CC(C)SC1CCCC1 62a_100011215867_100000179811 [0,1,0,1,0,0|2,0,0]=4 17511 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [0,1,0,1,0,0|1,0,1]=4 17512 B10R1.27 CC(C#N)NC1CCCC1 2230a_100000211070_100000184139 [0,1,0,1,0,0|2,0,0]=4 17513 B10R1.27 CC(C#N)NC1CCCC1 2230a_100000737613_100000179811 [0,1,0,1,0,0|2,0,0]=4 17514 B10R1.27 CC(C#N)OC1CCCC1 34a_100011218135_100000179811 [0,1,0,1,0,0|2,0,0]=4 17515 B10R1.27 CC(C#N)OC1CCCC1 7a_100000210269_100000703298 [0,1,0,1,0,0|2,0,0]=4 17516 B10R1.27 CC(C#N)SC1CCCC1 62a_100000703298_100000179811 [0,1,0,1,0,0|2,0,0]=4 17517 B10R1.27 CC(C#N)SC1CCCC1 62a_100011217020_100000703298 [0,1,0,1,0,0|2,0,0]=4 17518 B10R1.27 CC(CF)OC1CCCC1 34a_100016041109_100000179811 [0,1,0,1,0,0|2,0,0]=4 17519 B10R1.27 CC(CF)OC1CCCC1 7a_100016041109_100000179811 [0,1,0,1,0,0|2,0,0]=4 17520 B10R1.27 CC(CN)OC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|2,0,0]=4 17521 B10R1.27 CC(CO)NC1CCCC1 2230a_100000211070_100012180447 [0,1,0,1,0,0|1,0,0]=3 17522 B10R1.27 CC(CO)NC1CCCC1 34a_100000211070_100012180447 [0,1,0,1,0,0|1,0,0]=3 17523 B10R1.27 CC(CO)N[C@@H]1CCOC1 2230a_200015188469_100012180447 [0,1,0,1,0,0|2,0,0]=4 17524 B10R1.27 CC(CO)N[C@H]1CCOC1 2230a_100015188467_100012180447 [0,1,0,1,0,0|2,0,0]=4 17525 B10R1.27 CC(CO)N[C@H]1CCOC1 34a_100015188467_100012180447 [0,1,0,1,0,0|2,0,0]=4 17526 B10R1.27 CC(CO)OC1CCCC1 34a_100000210269_100012180447 [0,1,0,1,0,0|1,0,0]=3 17527 B10R1.27 CC(CO)OC1CCCC1 7a_100000210269_100012180447 [0,1,0,1,0,0|1,0,0]=3 17528 B10R1.27 CC(CO)OC1CCCO1 34a_100000085407_100012180447 [0,1,0,1,0,0|2,0,0]=4 17529 B10R1.27 CC(CO)OC1CCSC1 7a_100011232664_100012180447 [0,1,0,1,0,0|2,0,0]=4 17530 B10R1.27 CC(CO)O[C@H]1CCOC1 34a_100000717292_100012180447 [0,1,0,1,0,0|2,0,0]=4 17531 B10R1.27 CC(CO)SC1CCCC1 62a_100012180447_100000179811 [0,1,0,1,0,0|1,0,0]=3 17532 B10R1.27 CC(CO)SC1CCOC1 62a_100012180447_100000690089 [0,1,0,1,0,0|2,0,0]=4 17533 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|0,0,2]=4 17534 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|0,0,2]=4 17535 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,1,0,1,0,0|2,0,0]=4 17536 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,1,0,1,0,0|2,0,0]=4 17537 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,1,0,1,0,0|2,0,0]=4 17538 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [0,1,0,1,0,0|2,0,0]=4 17539 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [0,1,0,1,0,0|2,0,0]=4 17540 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [0,1,0,1,0,0|2,0,0]=4 17541 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [0,1,0,1,0,0|2,0,0]=4 17542 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,1,0,1,0,0|2,0,0]=4 17543 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,1,0,1,0,0|2,0,0]=4 17544 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,1,0,1,0,0|2,0,0]=4 17545 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [0,1,0,1,0,0|2,0,0]=4 17546 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [0,1,0,1,0,0|2,0,0]=4 17547 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,1,0,1,0,0|1,0,0]=3 17548 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,1,0,1,0,0|1,0,0]=3 17549 B10R1.27 CCC(O)CN1CCSC1 2230a_100011215254_100011218378 [0,1,0,1,0,0|2,0,0]=4 17550 B10R1.27 CCC(O)CN1CCSC1 269982a_100011215254_100011218378 [0,1,0,1,0,0|2,0,0]=4 17551 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 17552 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,1,0,1,0,0|2,0,0]=4 17553 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,1,0,1,0,0|2,0,0]=4 17554 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,1,0,1,0,0|2,0,0]=4 17555 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|0,0,2]=4 17556 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|0,0,2]=4 17557 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|0,0,2]=4 17558 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|0,0,2]=4 17559 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,1,0,1,0,0|1,0,0]=3 17560 B10R1.27 COC(C)SC1CCCC1 62a_100009879195_100000179811 [0,1,0,1,0,0|1,0,0]=3 17561 B10R1.27 COC(C)SC1CCCC1 62a_100011217020_100009879195 [0,1,0,1,0,0|1,0,0]=3 17562 B10R1.27 COC(C)SC1CCOC1 62a_100009879195_100000690089 [0,1,0,1,0,0|2,0,0]=4 17563 B10R1.27 C[C@@H](CO)CN1CCCC1 2230a_100000188435_100000059175 [0,1,0,1,0,0|1,0,0]=3 17564 B10R1.27 C[C@@H](CO)CN1CCCC1 269982a_100000188435_100000059175 [0,1,0,1,0,0|1,0,0]=3 17565 B10R1.27 C[C@@H](CO)CN1CCSC1 2230a_100011215254_100000059175 [0,1,0,1,0,0|2,0,0]=4 17566 B10R1.27 C[C@@H](CO)CN1CCSC1 269982a_100011215254_100000059175 [0,1,0,1,0,0|2,0,0]=4 17567 B10R1.27 C[C@H](CF)NC1CCCC1 270004a_100102880703_100000210133 [0,1,0,1,0,0|2,0,0]=4 17568 B10R1.27 C[C@H](CO)NC1CCCC1 2230a_100000737577_100000179811 [0,1,0,1,0,0|1,0,0]=3 17569 B10R1.27 C[C@H](CO)NC1CCCC1 270004a_100000737577_100000210133 [0,1,0,1,0,0|1,0,0]=3 17570 B10R1.27 C[C@H](CO)NC1CCOC1 2230a_100000737577_100000731011 [0,1,0,1,0,0|2,0,0]=4 17571 B10R1.27 C[C@H](CO)NC1CCOC1 270004a_100000737577_100000752484 [0,1,0,1,0,0|2,0,0]=4 17572 B10R1.27 C[C@H](CO)NC1CCSC1 270004a_100000737577_100000212027 [0,1,0,1,0,0|2,0,0]=4 17573 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100011217020_100016084084 [0,1,0,1,0,0|1,0,0]=3 17574 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100016084084_100000179811 [0,1,0,1,0,0|1,0,0]=3 17575 B10R1.27 C[C@H](CO)SC1CCOC1 62a_100016084084_100000690089 [0,1,0,1,0,0|2,0,0]=4 17576 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|0,0,2]=4 17577 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|0,0,2]=4 17578 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [0,1,0,1,0,0|1,0,0]=3 17579 B10R1.27 OCC(O)CN1CCSC1 2230a_100011215254_100011219619 [0,1,0,1,0,0|2,0,0]=4 17580 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [0,1,0,1,0,0|1,0,0]=3 17581 B10R1.27 OC[C@H](O)CN1CCSC1 2230a_100011215254_100009815848 [0,1,0,1,0,0|2,0,0]=4 17582 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [0,1,0,1,0,0|1,0,0]=3 17583 B10R1.27 O[C@@H](CF)CN1CCSC1 2230a_100011215254_100015614560 [0,1,0,1,0,0|2,0,0]=4 17584 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,1,0,1,0,0|2,0,0]=4 17585 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,1,0,1,0,0|2,0,0]=4 17586 B10R1.40 CCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210202 [0,1,0,1,0,0|1,0,0]=3 17587 B10R1.40 CCN1CCC[C@@]1(C)CO 269982a_100016195882_100000204670 [0,1,0,1,0,0|1,0,0]=3 17588 B10R1.40 CCN1CCC[C@@]1(C)CO 34a_100016195882_100000210202 [0,1,0,1,0,0|1,0,0]=3 17589 B10R1.40 C[C@]1(CCCN1CF)CO 269982a_100016195882_100015361967 [0,1,0,1,0,0|2,0,0]=4 17590 B10R1.40 C[C@]1(CCCN1CF)CO 34a_100016195882_100015361967 [0,1,0,1,0,0|2,0,0]=4 17591 B10R1.57 BrCCCCOC1COC1 34a_100011216708_100009818527 [0,1,0,1,0,0|2,0,0]=4 17592 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,1,0,1,0,0|2,0,0]=4 17593 B10R1.57 BrCCCOCC1COC1 34a_100011217188_100010264016 [0,1,0,1,0,0|2,0,0]=4 17594 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,1,0,1,0,0|2,0,0]=4 17595 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,1,0,1,0,0|2,0,0]=4 17596 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,1,0,1,0,0|2,0,0]=4 17597 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,1,0,1,0,0|2,0,0]=4 17598 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,1,0,1,0,0|1,0,0]=3 17599 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,1,0,1,0,0|2,0,0]=4 17600 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,1,0,1,0,0|2,0,0]=4 17601 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,1,0,1,0,0|1,0,0]=3 17602 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,1,0,1,0,0|1,0,0]=3 17603 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,1,0,1,0,0|1,1,0]=4 17604 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,1,0,1,0,0|2,0,0]=4 17605 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,1,0,1,0,0|1,0,0]=3 17606 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,1,0,1,0,0|2,0,0]=4 17607 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,1,0,1,0,0|2,0,0]=4 17608 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,1,0,1,0,0|2,0,0]=4 17609 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,1,0,1,0,0|2,0,0]=4 17610 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,1,0,1,0,0|2,0,0]=4 17611 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|1,0,0]=3 17612 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|1,0,0]=3 17613 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,1,0,1,0,0|1,0,0]=3 17614 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,1,0,1,0,0|1,0,0]=3 17615 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,1,0,1,0,0|1,0,0]=3 17616 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,1,0,1,0,0|1,0,0]=3 17617 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|1,0,0]=3 17618 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|1,0,0]=3 17619 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,1,0,1,0,0|2,0,0]=4 17620 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,1,0,1,0,0|2,0,0]=4 17621 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,1,0,1,0,0|2,0,0]=4 17622 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|1,0,0]=3 17623 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|1,0,0]=3 17624 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|1,0,0]=3 17625 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,1,0,1,0,0|2,0,0]=4 17626 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,1,0,1,0,0|1,0,0]=3 17627 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,1,0,1,0,0|1,0,0]=3 17628 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,1,0,1,0,0|1,0,0]=3 17629 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,1,0,1,0,0|2,0,0]=4 17630 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,1,0,1,0,0|2,0,0]=4 17631 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|1,0,0]=3 17632 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|1,0,0]=3 17633 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,1,0,1,0,0|1,0,0]=3 17634 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,1,0,1,0,0|1,0,0]=3 17635 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,1,0,1,0,0|1,0,0]=3 17636 B10R1.57 CCOCCNC1COC1 2230a_100016991112_100011215890 [0,1,0,1,0,0|2,0,0]=4 17637 B10R1.57 CCOCCNC1COC1 34a_102516460346_100009818527 [0,1,0,1,0,0|2,0,0]=4 17638 B10R1.57 CCOCCOC1COC1 34a_100000210136_100009818527 [0,1,0,1,0,0|2,0,0]=4 17639 B10R1.57 CCOCCOC1COC1 7a_100000210136_100009818527 [0,1,0,1,0,0|2,0,0]=4 17640 B10R1.57 CCOCCSC1COC1 62a_100000210147_100009818527 [0,1,0,1,0,0|2,0,0]=4 17641 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,1,0,1,0,0|2,0,0]=4 17642 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,1,0,1,0,0|2,0,0]=4 17643 B10R1.57 CCOCSCC1COC1 62a_100000739092_100010264016 [0,1,0,1,0,0|2,0,0]=4 17644 B10R1.57 CCOCSCC1COC1 62a_100010264016_100000739092 [0,1,0,1,0,0|2,0,0]=4 17645 B10R1.57 CCSCCNC1COC1 2230a_100016991112_100000757381 [0,1,0,1,0,0|2,0,0]=4 17646 B10R1.57 CCSCCOC1COC1 34a_100000212035_100009818527 [0,1,0,1,0,0|2,0,0]=4 17647 B10R1.57 CCSCCOC1COC1 7a_100000212035_100009818527 [0,1,0,1,0,0|2,0,0]=4 17648 B10R1.57 CCSCCSC1COC1 62a_100000757381_100009818527 [0,1,0,1,0,0|2,0,0]=4 17649 B10R1.57 CNCCCOC1COC1 34a_100000213112_100009818527 [0,1,0,1,0,0|2,0,0]=4 17650 B10R1.57 COCCCNC1COC1 2230a_100016991112_100000740836 [0,1,0,1,0,0|2,0,0]=4 17651 B10R1.57 COCCCNC1COC1 34a_100150723488_100009818527 [0,1,0,1,0,0|2,0,0]=4 17652 B10R1.57 COCCCOC1COC1 34a_100000740835_100009818527 [0,1,0,1,0,0|2,0,0]=4 17653 B10R1.57 COCCCSC1COC1 62a_100000709357_100009818527 [0,1,0,1,0,0|2,0,0]=4 17654 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,1,0,1,0,0|2,0,0]=4 17655 B10R1.57 COCCNCC1COC1 2230a_100000209980_100010264016 [0,1,0,1,0,0|2,0,0]=4 17656 B10R1.57 COCCNCC1COC1 2230a_100015281925_100011201679 [0,1,0,1,0,0|2,0,0]=4 17657 B10R1.57 COCCNCC1COC1 34a_100015281925_100011201679 [0,1,0,1,0,0|2,0,0]=4 17658 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,1,0,1,0,0|2,0,0]=4 17659 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,1,0,1,0,0|2,0,0]=4 17660 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,1,0,1,0,0|2,0,0]=4 17661 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,1,0,1,0,0|2,0,0]=4 17662 B10R1.57 COCCOCC1COC1 34a_100000060846_100011201679 [0,1,0,1,0,0|2,0,0]=4 17663 B10R1.57 COCCOCC1COC1 34a_100000210237_100010264016 [0,1,0,1,0,0|2,0,0]=4 17664 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,1,0,1,0,0|2,0,0]=4 17665 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,1,0,1,0,0|2,0,0]=4 17666 B10R1.57 COCCSCC1COC1 62a_100000233755_100010264016 [0,1,0,1,0,0|2,0,0]=4 17667 B10R1.57 COCCSCC1COC1 62a_100010264016_100000233755 [0,1,0,1,0,0|2,0,0]=4 17668 B10R1.57 CSCCCOC1COC1 34a_100000690336_100009818527 [0,1,0,1,0,0|2,0,0]=4 17669 B10R1.57 CSCCCOC1COC1 7a_100000690336_100009818527 [0,1,0,1,0,0|2,0,0]=4 17670 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,1,0,1,0,0|2,0,0]=4 17671 B10R1.57 CSCCNCC1COC1 2230a_100015281925_100000751147 [0,1,0,1,0,0|2,0,0]=4 17672 B10R1.57 CSCCNCC1COC1 2230a_100020590264_100010264016 [0,1,0,1,0,0|2,0,0]=4 17673 B10R1.57 CSCCNCC1COC1 34a_100015281925_100000212216 [0,1,0,1,0,0|2,0,0]=4 17674 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,1,0,1,0,0|2,0,0]=4 17675 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,1,0,1,0,0|2,0,0]=4 17676 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,1,0,1,0,0|2,0,0]=4 17677 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,1,0,1,0,0|2,0,0]=4 17678 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,1,0,1,0,0|2,0,0]=4 17679 B10R1.57 CSCCOCC1COC1 34a_100000060846_100000212216 [0,1,0,1,0,0|2,0,0]=4 17680 B10R1.57 CSCCOCC1COC1 34a_100000230434_100010264016 [0,1,0,1,0,0|2,0,0]=4 17681 B10R1.57 CSCCOCC1COC1 7a_100000230434_100010264016 [0,1,0,1,0,0|2,0,0]=4 17682 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,1,0,1,0,0|2,0,0]=4 17683 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,1,0,1,0,0|2,0,0]=4 17684 B10R1.57 CSCCSCC1COC1 62a_100000212216_100010264016 [0,1,0,1,0,0|2,0,0]=4 17685 B10R1.57 CSCCSCC1COC1 62a_100010264016_100000751147 [0,1,0,1,0,0|2,0,0]=4 17686 B10R1.57 CSCOCCC1COC1 34a_100009855314_100011218213 [0,1,0,1,0,0|2,0,0]=4 17687 B10R1.57 ClCCCCOC1COC1 34a_100000210776_100009818527 [0,1,0,1,0,0|2,0,0]=4 17688 B10R1.57 ClCCCCOC1COC1 7a_100000210776_100009818527 [0,1,0,1,0,0|2,0,0]=4 17689 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,1,0,1,0,0|2,0,0]=4 17690 B10R1.57 ClCCCOCC1COC1 34a_100000230001_100010264016 [0,1,0,1,0,0|2,0,0]=4 17691 B10R1.57 FCCCCNC1COC1 2230a_100016991112_100000729493 [0,1,0,1,0,0|2,0,0]=4 17692 B10R1.57 FCCCCOC1COC1 34a_100011995726_100009818527 [0,1,0,1,0,0|2,0,0]=4 17693 B10R1.57 FCCCCOC1COC1 7a_100011995726_100009818527 [0,1,0,1,0,0|2,0,0]=4 17694 B10R1.57 FCCCCSC1COC1 62a_100000729493_100009818527 [0,1,0,1,0,0|2,0,0]=4 17695 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,1,0,1,0,0|2,0,0]=4 17696 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,1,0,1,0,0|2,0,0]=4 17697 B10R1.57 FCCCNCC1COC1 2230a_100015189416_100010264016 [0,1,0,1,0,0|2,0,0]=4 17698 B10R1.57 FCCCNCC1COC1 2230a_100015281925_100011934791 [0,1,0,1,0,0|2,0,0]=4 17699 B10R1.57 FCCCNCC1COC1 34a_100015189416_100010264016 [0,1,0,1,0,0|2,0,0]=4 17700 B10R1.57 FCCCNCC1COC1 34a_100015281925_100011934791 [0,1,0,1,0,0|2,0,0]=4 17701 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,1,0,1,0,0|2,0,0]=4 17702 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,1,0,1,0,0|2,0,0]=4 17703 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,1,0,1,0,0|2,0,0]=4 17704 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,1,0,1,0,0|2,0,0]=4 17705 B10R1.57 FCCCOCC1COC1 34a_100000060846_100011934791 [0,1,0,1,0,0|2,0,0]=4 17706 B10R1.57 FCCCOCC1COC1 34a_100000759539_100010264016 [0,1,0,1,0,0|2,0,0]=4 17707 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [0,1,0,1,0,0|2,0,0]=4 17708 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [0,1,0,1,0,0|2,0,0]=4 17709 B10R1.57 FCCCSCC1COC1 62a_100010264016_100011934791 [0,1,0,1,0,0|2,0,0]=4 17710 B10R1.57 FCCCSCC1COC1 62a_100011934791_100010264016 [0,1,0,1,0,0|2,0,0]=4 17711 B10R1.57 FCCOCCC1COC1 34a_100009855314_100011217306 [0,1,0,1,0,0|2,0,0]=4 17712 B10R1.57 ICCCCOC1COC1 34a_200012148704_100009818527 [0,1,0,1,0,0|2,0,0]=4 17713 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [0,1,0,1,0,0|2,0,0]=4 17714 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,1,0,1,0,0|2,0,0]=4 17715 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [0,1,0,1,0,0|2,0,0]=4 17716 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [0,1,0,1,0,0|2,0,0]=4 17717 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [0,1,0,1,0,0|2,0,0]=4 17718 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [0,1,0,1,0,0|2,0,0]=4 17719 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,1,0,1,0,0|2,0,0]=4 17720 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,1,0,1,0,0|2,0,0]=4 17721 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,1,0,1,0,0|2,0,0]=4 17722 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,1,0,1,0,0|2,0,0]=4 17723 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,1,0,1,0,0|2,0,0]=4 17724 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,1,0,1,0,0|2,0,0]=4 17725 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,1,0,1,0,0|2,0,0]=4 17726 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,1,0,1,0,0|2,0,0]=4 17727 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,1,0,1,0,0|2,0,0]=4 17728 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,1,0,1,0,0|2,0,0]=4 17729 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,1,0,1,0,0|2,0,0]=4 17730 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,1,0,1,0,0|1,0,0]=3 17731 B10R1.96 CCCN1CCC(C1)C#N 2230a_100016989334_100000210303 [0,1,0,1,0,0|2,0,0]=4 17732 B10R1.96 CCCN1CCC(C1)CO 2230a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 17733 B10R1.96 CCCN1CCC(C1)CO 269982a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 17734 B10R1.96 CCCN1CCC(C1)CO 34a_100000748654_100000210303 [0,1,0,1,0,0|1,0,0]=3 17735 B10R1.96 CCCN1CC[C@H](C1)OC 2230a_100000766984_100000210303 [0,1,0,1,0,0|1,0,0]=3 17736 B10R1.96 CCCN1CC[C@H](C1)OC 269982a_100000766984_100000210303 [0,1,0,1,0,0|1,0,0]=3 17737 B10R1.96 CCNC1CCC(C1)C#N 270004a_100015525214_100000717688 [0,1,0,1,0,0|2,0,0]=4 17738 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,1,0,1,0,0|2,0,0]=4 17739 B10R1.96 CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200000210301 [0,1,0,1,0,0|1,0,0]=3 17740 B10R1.96 COCN1CCC(C1)CO 2230a_100000748654_100000766300 [0,1,0,1,0,0|2,0,0]=4 17741 B10R1.96 COCN1CCC(C1)CO 269982a_100000748654_100000766300 [0,1,0,1,0,0|2,0,0]=4 17742 B10R1.96 COCN1CC[C@H](C1)OC 2230a_100000766984_100000766300 [0,1,0,1,0,0|2,0,0]=4 17743 B10R1.96 COCN1CC[C@H](C1)OC 269982a_100000766984_100000766300 [0,1,0,1,0,0|2,0,0]=4 17744 B10R1.96 COC[C@H]1CC[C@H](C1)CN 34a_206354213956_200000210301 [0,1,0,1,0,0|2,0,0]=4 17745 B10R1.96 CO[C@@H]1CCN(C1)CCF 2230a_100000766984_100011217306 [0,1,0,1,0,0|2,0,0]=4 17746 B10R1.96 CO[C@@H]1CCN(C1)CCF 269982a_100000766984_100011217306 [0,1,0,1,0,0|2,0,0]=4 17747 B10R1.96 CO[C@@H]1CCN(C1)CCO 2230a_100000766984_100000211926 [0,1,0,1,0,0|2,0,0]=4 17748 B10R1.96 CO[C@@H]1CCN(C1)CCO 269982a_100000766984_100000211926 [0,1,0,1,0,0|2,0,0]=4 17749 B10R1.96 CO[C@@H]1CCN(C1)CSC 2230a_100000766984_100011218213 [0,1,0,1,0,0|2,0,0]=4 17750 B10R1.96 CO[C@@H]1CCN(C1)CSC 269982a_100000766984_100011218213 [0,1,0,1,0,0|2,0,0]=4 17751 B10R1.96 CSCN1CCC(C1)CO 2230a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 17752 B10R1.96 CSCN1CCC(C1)CO 269982a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 17753 B10R1.96 CSCN1CCC(C1)CO 34a_100000748654_100011218213 [0,1,0,1,0,0|2,0,0]=4 17754 B10R1.96 OCC1CCN(C1)CCF 2230a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 17755 B10R1.96 OCC1CCN(C1)CCF 269982a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 17756 B10R1.96 OCC1CCN(C1)CCF 34a_100000748654_100011217306 [0,1,0,1,0,0|2,0,0]=4 17757 B10R1.96 OCCN1CCC(C1)CO 2230a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 17758 B10R1.96 OCCN1CCC(C1)CO 269982a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 17759 B10R1.96 OCCN1CCC(C1)CO 34a_100000748654_100000211926 [0,1,0,1,0,0|2,0,0]=4 17760 B10R1.96 [13CH3]NC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200025704644 [0,1,0,1,0,0|1,0,0]=3 17761 B10R1.96 [13CH3]OC[C@H]1CC[C@H](C1)CN 34a_206354213956_200025704644 [0,1,0,1,0,0|2,0,0]=4 17762 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [0,1,0,1,0,0|2,0,0]=4 17763 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [0,1,0,1,0,0|2,0,0]=4 17764 B10R1.143 CCCCN1CC(C1)CF 269982a_100010363649_100000210211 [0,1,0,1,0,0|2,0,0]=4 17765 B10R1.143 CCCCN1CC(C1)CF 34a_100010363649_100000210210 [0,1,0,1,0,0|2,0,0]=4 17766 B10R1.143 CCCCN1CC(C1)CO 269982a_100016987283_100000210211 [0,1,0,1,0,0|1,0,0]=3 17767 B10R1.143 CCCCN1CC(C1)CO 34a_100016987283_100000210210 [0,1,0,1,0,0|1,0,0]=3 17768 B10R1.143 CCCCN1CC(C1)OC 269982a_100000755009_100000210211 [0,1,0,1,0,0|1,0,0]=3 17769 B10R1.143 CCCCN1CC(C1)SC 269982a_100016990038_100000210211 [0,1,0,1,0,0|1,1,0]=4 17770 B10R1.143 CCCNC1CC(C1)C#N 270004a_100020643023_100000077199 [0,1,0,1,0,0|2,0,0]=4 17771 B10R1.143 CCCNC1CC(C1)CO 270004a_100020643023_100000101936 [0,1,0,1,0,0|1,0,0]=3 17772 B10R1.143 CCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210303 [0,1,0,1,0,0|1,0,0]=3 17773 B10R1.143 CCCSC1CC(C1)CO 62a_100000210303_100009874164 [0,1,0,1,0,0|1,0,0]=3 17774 B10R1.143 CCCSC1CC(C1)CO 62a_100009874164_100000210303 [0,1,0,1,0,0|1,0,0]=3 17775 B10R1.143 CCOCN1CC(C1)CO 269982a_100016987283_100000739092 [0,1,0,1,0,0|2,0,0]=4 17776 B10R1.143 CCOCN1CC(C1)OC 269982a_100000755009_100000739092 [0,1,0,1,0,0|2,0,0]=4 17777 B10R1.143 COC1CN(C1)CCCF 269982a_100000755009_100011934791 [0,1,0,1,0,0|2,0,0]=4 17778 B10R1.143 COC1CN(C1)CCCO 269982a_100000755009_100011215043 [0,1,0,1,0,0|2,0,0]=4 17779 B10R1.143 COC1CN(C1)CCSC 269982a_100000755009_100000212216 [0,1,0,1,0,0|2,0,0]=4 17780 B10R1.143 COCCN1CC(C1)CO 269982a_100016987283_100000233755 [0,1,0,1,0,0|2,0,0]=4 17781 B10R1.143 COCCN1CC(C1)CO 34a_100016987283_100011201679 [0,1,0,1,0,0|2,0,0]=4 17782 B10R1.143 COCCN1CC(C1)OC 269982a_100000755009_100000233755 [0,1,0,1,0,0|2,0,0]=4 17783 B10R1.143 COCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000766300 [0,1,0,1,0,0|2,0,0]=4 17784 B10R1.143 COCSC1CC(C1)CO 62a_100000766300_100009874164 [0,1,0,1,0,0|2,0,0]=4 17785 B10R1.143 COCSC1CC(C1)CO 62a_100009874164_100000766300 [0,1,0,1,0,0|2,0,0]=4 17786 B10R1.143 CO[C@H]1C[C@@H](C1)NCCF 2230a_100121570643_100011217306 [0,1,0,1,0,0|2,0,0]=4 17787 B10R1.143 CO[C@H]1C[C@@H](C1)NCCO 2230a_100121570643_100000211926 [0,1,0,1,0,0|2,0,0]=4 17788 B10R1.143 CO[C@H]1C[C@@H](C1)NCSC 2230a_100121570643_100011218213 [0,1,0,1,0,0|2,0,0]=4 17789 B10R1.143 CSCCN1CC(C1)CO 269982a_100016987283_100000212216 [0,1,0,1,0,0|2,0,0]=4 17790 B10R1.143 CSCCN1CC(C1)CO 34a_100016987283_100000212216 [0,1,0,1,0,0|2,0,0]=4 17791 B10R1.143 CSCSC1CC(C1)CO 62a_100009874164_100011218213 [0,1,0,1,0,0|2,0,0]=4 17792 B10R1.143 CSCSC1CC(C1)CO 62a_100011218213_100009874164 [0,1,0,1,0,0|2,0,0]=4 17793 B10R1.143 OCC1CC(C1)SCCF 62a_100009874164_100011217306 [0,1,0,1,0,0|2,0,0]=4 17794 B10R1.143 OCC1CC(C1)SCCF 62a_100011217306_100009874164 [0,1,0,1,0,0|2,0,0]=4 17795 B10R1.143 OCC1CN(C1)CCCF 269982a_100016987283_100011934791 [0,1,0,1,0,0|2,0,0]=4 17796 B10R1.143 OCC1CN(C1)CCCF 34a_100016987283_100011934791 [0,1,0,1,0,0|2,0,0]=4 17797 B10R1.143 OCCCN1CC(C1)CO 269982a_100016987283_100011215043 [0,1,0,1,0,0|2,0,0]=4 17798 B10R1.143 OCCCN1CC(C1)CO 34a_100016987283_100000230001 [0,1,0,1,0,0|2,0,0]=4 17799 B10R1.143 OCCNC1CC(C1)CO 270004a_100000210304_100000101936 [0,1,0,1,0,0|2,0,0]=4 17800 B10R1.143 OCCSC1CC(C1)CO 62a_100000211926_100009874164 [0,1,0,1,0,0|2,0,0]=4 17801 B10R1.143 OCCSC1CC(C1)CO 62a_100009874164_100000211926 [0,1,0,1,0,0|2,0,0]=4 17802 B10R1.149 C#CC(C)N1CCC[C@H]1C 34a_100015189458_200000035995 [0,1,0,1,0,0|2,0,0]=4 17803 B10R1.149 C=CC(C)N1CCC[C@@H]1C 269982a_100020605311_100011215867 [0,1,0,1,0,0|2,0,0]=4 17804 B10R1.149 C=CC(C)N1CCC[C@H]1C 269982a_100015189458_100011215867 [0,1,0,1,0,0|2,0,0]=4 17805 B10R1.149 CC(C#N)N1CCC[C@@H]1C 2230a_100020605311_100000184139 [0,1,0,1,0,0|2,0,0]=4 17806 B10R1.149 CC(C#N)N1CCC[C@@H]1C 269982a_100020605311_100000703298 [0,1,0,1,0,0|2,0,0]=4 17807 B10R1.149 CC(C#N)N1CCC[C@H]1C 2230a_100015189458_100000184139 [0,1,0,1,0,0|2,0,0]=4 17808 B10R1.149 CC(C#N)N1CCC[C@H]1C 269982a_100015189458_100000703298 [0,1,0,1,0,0|2,0,0]=4 17809 B10R1.149 CC(CO)N1CCC[C@@H]1C 2230a_100020605311_100012180447 [0,1,0,1,0,0|1,0,0]=3 17810 B10R1.149 CC(CO)N1CCC[C@H]1C 2230a_100015189458_100012180447 [0,1,0,1,0,0|1,0,0]=3 17811 B10R1.149 CC(CO)N1CCC[C@H]1C 34a_100015189458_100012180447 [0,1,0,1,0,0|1,0,0]=3 17812 B10R1.149 CC(CO)N1CCSC1C 2230a_200011216479_100012180447 [0,1,0,1,0,0|2,0,0]=4 17813 B10R1.149 CC(CO)N1CCSC1C 34a_200011216479_100012180447 [0,1,0,1,0,0|2,0,0]=4 17814 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|0,0,2]=4 17815 B10R1.149 CC1SCCN1[C@H](C)CO 269982a_200011216479_100016084084 [0,1,0,1,0,0|2,0,0]=4 17816 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|0,0,2]=4 17817 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [0,1,0,1,0,0|2,0,0]=4 17818 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [0,1,0,1,0,0|2,0,0]=4 17819 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [0,1,0,1,0,0|2,0,0]=4 17820 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [0,1,0,1,0,0|2,0,0]=4 17821 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [0,1,0,1,0,0|2,0,0]=4 17822 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|0,0,2]=4 17823 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|0,0,2]=4 17824 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|0,0,2]=4 17825 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|0,0,2]=4 17826 B10R1.149 COC(C)N1CCC[C@@H]1C 269982a_100020605311_100009879195 [0,1,0,1,0,0|1,0,0]=3 17827 B10R1.149 COC(C)N1CCC[C@H]1C 269982a_100015189458_100009879195 [0,1,0,1,0,0|1,0,0]=3 17828 B10R1.149 COC(C)N1CCSC1C 269982a_200011216479_100009879195 [0,1,0,1,0,0|2,0,0]=4 17829 B10R1.149 CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_200000210301 [0,1,0,1,0,0|1,0,0]=3 17830 B10R1.149 C[C@H](CO)N1CCC[C@@H]1C 269982a_100020605311_100016084084 [0,1,0,1,0,0|1,0,0]=3 17831 B10R1.149 C[C@H](CO)N1CCC[C@H]1C 269982a_100015189458_100016084084 [0,1,0,1,0,0|1,0,0]=3 17832 B10R1.149 C[C@H](O[13CH3])[C@@H]1CCCN1C 34a_100160487421_200025704644 [0,1,0,1,0,0|1,0,0]=3 17833 B10R1.151 C#CC(C)NCC1CCC1 2230a_100000707721_100000763275 [0,1,0,1,0,0|2,0,0]=4 17834 B10R1.151 C#CC(C)NCC1CCC1 34a_100000707721_100000763275 [0,1,0,1,0,0|2,0,0]=4 17835 B10R1.151 C#CC(C)NCC1CCC1 34a_100000738700_200000035995 [0,1,0,1,0,0|2,0,0]=4 17836 B10R1.151 C#CC(C)OCC1CCC1 34a_100000760304_200000035995 [0,1,0,1,0,0|2,0,0]=4 17837 B10R1.151 C#CC(C)SCC1CCC1 62a_200000035995_100000763275 [0,1,0,1,0,0|2,0,0]=4 17838 B10R1.151 C#C[C@@H](C)OCC1CCC1 34a_100009815206_100000763275 [0,1,0,1,0,0|2,0,0]=4 17839 B10R1.151 C#C[C@@H](C)OCC1CCC1 7a_100009815206_100000763275 [0,1,0,1,0,0|2,0,0]=4 17840 B10R1.151 C=CC(C)COC1CCC1 34a_100011215527_100000749161 [0,1,0,1,0,0|2,0,0]=4 17841 B10R1.151 C=CC(C)OCC1CCC1 34a_100000695699_100000763275 [0,1,0,1,0,0|2,0,0]=4 17842 B10R1.151 C=CC(C)SCC1CCC1 62a_100011215867_100000763275 [0,1,0,1,0,0|2,0,0]=4 17843 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [0,1,0,1,0,0|1,0,1]=4 17844 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [0,1,0,1,0,0|1,0,1]=4 17845 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [0,1,0,1,0,0|1,0,1]=4 17846 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [0,1,0,1,0,0|1,0,1]=4 17847 B10R1.151 CC(C#N)NCC1CCC1 2230a_100000737613_100000763275 [0,1,0,1,0,0|2,0,0]=4 17848 B10R1.151 CC(C#N)NCC1CCC1 2230a_100000738700_100000184139 [0,1,0,1,0,0|2,0,0]=4 17849 B10R1.151 CC(C#N)OCC1CCC1 34a_100011218135_100000763275 [0,1,0,1,0,0|2,0,0]=4 17850 B10R1.151 CC(C#N)SCC1CCC1 62a_100000703298_100000763275 [0,1,0,1,0,0|2,0,0]=4 17851 B10R1.151 CC(C#N)SCC1CCC1 62a_100000763275_100000703298 [0,1,0,1,0,0|2,0,0]=4 17852 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [0,1,0,1,0,0|2,0,0]=4 17853 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [0,1,0,1,0,0|2,0,0]=4 17854 B10R1.151 CC(CN)COC1CCC1 34a_100000744482_100000749161 [0,1,0,1,0,0|2,0,0]=4 17855 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|2,0,0]=4 17856 B10R1.151 CC(CO)CNC1CCC1 34a_100000744482_100000749161 [0,1,0,1,0,0|1,0,0]=3 17857 B10R1.151 CC(CO)CNC1COC1 34a_100000744482_100009818527 [0,1,0,1,0,0|2,0,0]=4 17858 B10R1.151 CC(CO)NCC1CCC1 2230a_100000738700_100012180447 [0,1,0,1,0,0|1,0,0]=3 17859 B10R1.151 CC(CO)NCC1CCC1 34a_100000738700_100012180447 [0,1,0,1,0,0|1,0,0]=3 17860 B10R1.151 CC(CO)NCC1COC1 2230a_100015281925_100012180447 [0,1,0,1,0,0|2,0,0]=4 17861 B10R1.151 CC(CO)NCC1COC1 34a_100015281925_100012180447 [0,1,0,1,0,0|2,0,0]=4 17862 B10R1.151 CC(CO)NC[C@@H]1CCO1 2230a_100020831831_100012180447 [0,1,0,1,0,0|2,0,0]=4 17863 B10R1.151 CC(CO)NC[C@@H]1CCO1 34a_100020831831_100012180447 [0,1,0,1,0,0|2,0,0]=4 17864 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,1,0,1,0,0|1,0,0]=3 17865 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,1,0,1,0,0|2,0,0]=4 17866 B10R1.151 CC(CO)OCC1CNC1 34a_100016987283_100012180447 [0,1,0,1,0,0|2,0,0]=4 17867 B10R1.151 CC(CO)OCC1COC1 34a_100000060846_100012180447 [0,1,0,1,0,0|2,0,0]=4 17868 B10R1.151 CC(CO)SCC1CCC1 62a_100012180447_100000763275 [0,1,0,1,0,0|1,0,0]=3 17869 B10R1.151 CC(CO)SCC1CCO1 62a_100012180447_100000103362 [0,1,0,1,0,0|2,0,0]=4 17870 B10R1.151 CC(CO)SCC1COC1 62a_100012180447_100010264016 [0,1,0,1,0,0|2,0,0]=4 17871 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [0,1,0,1,0,0|2,0,0]=4 17872 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [0,1,0,1,0,0|2,0,0]=4 17873 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [0,1,0,1,0,0|2,0,0]=4 17874 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,1,0,1,0,0|2,0,0]=4 17875 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [0,1,0,1,0,0|2,0,0]=4 17876 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,1,0,1,0,0|2,0,0]=4 17877 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,1,0,1,0,0|2,0,0]=4 17878 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,1,0,1,0,0|2,0,0]=4 17879 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,1,0,1,0,0|2,0,0]=4 17880 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,1,0,1,0,0|2,0,0]=4 17881 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,1,0,1,0,0|2,0,0]=4 17882 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,1,0,1,0,0|2,0,0]=4 17883 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,1,0,1,0,0|2,0,0]=4 17884 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,1,0,1,0,0|1,0,0]=3 17885 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,1,0,1,0,0|1,0,0]=3 17886 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,1,0,1,0,0|1,0,0]=3 17887 B10R1.151 CCC(O)CNC1COC1 2230a_100016991112_100011218378 [0,1,0,1,0,0|2,0,0]=4 17888 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,1,0,1,0,0|1,0,0]=3 17889 B10R1.151 CCC(O)COC1CSC1 7a_100000072292_100011218378 [0,1,0,1,0,0|2,0,0]=4 17890 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,1,0,1,0,0|1,0,0]=3 17891 B10R1.151 CCC(O)CSC1COC1 62a_100011218378_100009818527 [0,1,0,1,0,0|2,0,0]=4 17892 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [0,1,0,1,0,0|2,0,0]=4 17893 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [0,1,0,1,0,0|2,0,0]=4 17894 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,1,0,1,0,0|2,0,0]=4 17895 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [0,1,0,1,0,0|2,0,0]=4 17896 B10R1.151 COC(C)COC1CCC1 34a_100000690652_100000749161 [0,1,0,1,0,0|1,0,0]=3 17897 B10R1.151 COC(C)COC1COC1 34a_100000690652_100009818527 [0,1,0,1,0,0|2,0,0]=4 17898 B10R1.151 COC(C)SCC1CCC1 62a_100000763275_100009879195 [0,1,0,1,0,0|1,0,0]=3 17899 B10R1.151 COC(C)SCC1CCC1 62a_100009879195_100000763275 [0,1,0,1,0,0|1,0,0]=3 17900 B10R1.151 COC(C)SCC1CCO1 62a_100000103362_100009879195 [0,1,0,1,0,0|2,0,0]=4 17901 B10R1.151 COC(C)SCC1CCO1 62a_100009879195_100000103362 [0,1,0,1,0,0|2,0,0]=4 17902 B10R1.151 COC(C)SCC1COC1 62a_100009879195_100010264016 [0,1,0,1,0,0|2,0,0]=4 17903 B10R1.151 COC(C)SCC1COC1 62a_100010264016_100009879195 [0,1,0,1,0,0|2,0,0]=4 17904 B10R1.151 CO[C@H](C)CNC1CCC1 270004a_100020591295_100000241760 [0,1,0,1,0,0|1,0,0]=3 17905 B10R1.151 C[C@@H](CO)CNC1CCC1 2230a_100000749019_100000059175 [0,1,0,1,0,0|1,0,0]=3 17906 B10R1.151 C[C@@H](CO)CNC1CCC1 34a_100000749019_100000059175 [0,1,0,1,0,0|1,0,0]=3 17907 B10R1.151 C[C@@H](CO)CNC1COC1 2230a_100016991112_100000059175 [0,1,0,1,0,0|2,0,0]=4 17908 B10R1.151 C[C@@H](CO)COC1CCC1 34a_100000748187_100000059175 [0,1,0,1,0,0|1,0,0]=3 17909 B10R1.151 C[C@@H](CO)COC1CSC1 7a_100000072292_100000059175 [0,1,0,1,0,0|2,0,0]=4 17910 B10R1.151 C[C@@H](CO)CSC1CCC1 62a_100000059175_100000749161 [0,1,0,1,0,0|1,0,0]=3 17911 B10R1.151 C[C@@H](CO)CSC1COC1 62a_100000059175_100009818527 [0,1,0,1,0,0|2,0,0]=4 17912 B10R1.151 C[C@H](CF)NCC1CCC1 269862a_100102880703_100000753134 [0,1,0,1,0,0|2,0,0]=4 17913 B10R1.151 C[C@H](CO)NCC1CCC1 2230a_100000737577_100000763275 [0,1,0,1,0,0|1,0,0]=3 17914 B10R1.151 C[C@H](CO)NCC1CCC1 269862a_100000737577_100000753134 [0,1,0,1,0,0|1,0,0]=3 17915 B10R1.151 C[C@H](CO)NCC1CCO1 2230a_100000737577_100000103362 [0,1,0,1,0,0|2,0,0]=4 17916 B10R1.151 C[C@H](CO)NCC1COC1 2230a_100000737577_100010264016 [0,1,0,1,0,0|2,0,0]=4 17917 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100000763275_100016084084 [0,1,0,1,0,0|1,0,0]=3 17918 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100016084084_100000763275 [0,1,0,1,0,0|1,0,0]=3 17919 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100000103362_100016084084 [0,1,0,1,0,0|2,0,0]=4 17920 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100016084084_100000103362 [0,1,0,1,0,0|2,0,0]=4 17921 B10R1.151 C[C@H](CO)SCC1COC1 62a_100010264016_100016084084 [0,1,0,1,0,0|2,0,0]=4 17922 B10R1.151 C[C@H](CO)SCC1COC1 62a_100016084084_100010264016 [0,1,0,1,0,0|2,0,0]=4 17923 B10R1.151 ClCC(Cl)COC1CCC1 34a_100000033668_100000749161 [0,1,0,1,0,0|2,0,0]=4 17924 B10R1.151 NC[C@@H](F)COC1CCC1 34a_100015665980_100000749161 [0,1,0,1,0,0|2,0,0]=4 17925 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [0,1,0,1,0,0|1,0,0]=3 17926 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [0,1,0,1,0,0|1,0,0]=3 17927 B10R1.151 OCC(O)CNC1COC1 2230a_100016991112_100011219619 [0,1,0,1,0,0|2,0,0]=4 17928 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,1,0,1,0,0|1,0,0]=3 17929 B10R1.151 OCC(O)COC1CSC1 7a_100000072292_100011219619 [0,1,0,1,0,0|2,0,0]=4 17930 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [0,1,0,1,0,0|1,0,0]=3 17931 B10R1.151 OCC(O)CSC1COC1 62a_100011219619_100009818527 [0,1,0,1,0,0|2,0,0]=4 17932 B10R1.151 OC[C@H](F)CNC1CCC1 270004a_100015665980_100000241760 [0,1,0,1,0,0|2,0,0]=4 17933 B10R1.151 OC[C@H](F)CNC1CCC1 34a_100015665980_100000749161 [0,1,0,1,0,0|2,0,0]=4 17934 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [0,1,0,1,0,0|1,0,0]=3 17935 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [0,1,0,1,0,0|1,0,0]=3 17936 B10R1.151 OC[C@H](O)CNC1COC1 2230a_100016991112_100009815848 [0,1,0,1,0,0|2,0,0]=4 17937 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,1,0,1,0,0|1,0,0]=3 17938 B10R1.151 OC[C@H](O)COC1CSC1 7a_100000072292_100009815848 [0,1,0,1,0,0|2,0,0]=4 17939 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [0,1,0,1,0,0|1,0,0]=3 17940 B10R1.151 OC[C@H](O)CSC1COC1 62a_100009815848_100009818527 [0,1,0,1,0,0|2,0,0]=4 17941 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [0,1,0,1,0,0|1,0,0]=3 17942 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [0,1,0,1,0,0|1,0,0]=3 17943 B10R1.151 O[C@@H](CF)CNC1COC1 2230a_100016991112_100015614560 [0,1,0,1,0,0|2,0,0]=4 17944 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [0,1,0,1,0,0|1,0,0]=3 17945 B10R1.151 O[C@@H](CF)COC1CSC1 7a_100000072292_100015614560 [0,1,0,1,0,0|2,0,0]=4 17946 B10R1.151 O[C@@H](CF)CSC1CCC1 62a_100015614560_100000749161 [0,1,0,1,0,0|1,0,0]=3 17947 B10R1.151 O[C@@H](CF)CSC1COC1 62a_100015614560_100009818527 [0,1,0,1,0,0|2,0,0]=4 17948 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 17949 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,1,0,1,0,0|2,0,0]=4 17950 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,1,0,1,0,0|2,0,0]=4 17951 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,1,0,1,0,0|1,0,0]=3 17952 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,1,0,1,0,0|1,0,0]=3 17953 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,1,0,1,0,0|1,0,0]=3 17954 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,2]=4 17955 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,1,0,1,0,0|0,0,2]=4 17956 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,1,0,1,0,0|0,0,2]=4 17957 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,0]=2 17958 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,0]=2 17959 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 17960 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,1,0,1,0,0|2,0,0]=4 17961 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,1,0,1,0,0|1,0,0]=3 17962 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,1,0,1,0,0|1,0,0]=3 17963 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,2]=4 17964 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,1,0,1,0,0|0,0,2]=4 17965 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,0]=2 17966 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,0]=2 17967 B10R1.172 C#CC1CCCN(C1)CC 2230a_100015191679_100000210202 [0,1,0,1,0,0|2,0,0]=4 17968 B10R1.172 C#CC1CCCN(C1)CC 269982a_100015191679_100000204670 [0,1,0,1,0,0|2,0,0]=4 17969 B10R1.172 C#CC1CCCN(C1)CC 34a_100015191679_100000210202 [0,1,0,1,0,0|2,0,0]=4 17970 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,1,0,1,0,0|1,0,0]=3 17971 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|0,0,0]=2 17972 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|0,0,0]=2 17973 B10R1.172 CCN1CCCC(C1)C#N 2230a_100016989302_100000210202 [0,1,0,1,0,0|2,0,0]=4 17974 B10R1.172 CCN1CCCC(C1)C#N 269982a_206835378768_100000204670 [0,1,0,1,0,0|2,0,0]=4 17975 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 17976 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,1,0,1,0,0|2,0,0]=4 17977 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,1,0,1,0,0|2,0,0]=4 17978 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,1,0,1,0,0|1,0,0]=3 17979 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,1,0,1,0,0|1,0,0]=3 17980 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,1,0,1,0,0|1,0,0]=3 17981 B10R1.172 CCN1CCCC(C1)OC 2230a_100000695604_100000210202 [0,1,0,1,0,0|1,0,0]=3 17982 B10R1.172 CCN1CCCC(C1)OC 269982a_100000695604_100000204670 [0,1,0,1,0,0|1,0,0]=3 17983 B10R1.172 CCN1CCCC(C1)OC 34a_100000695604_100000210202 [0,1,0,1,0,0|1,0,0]=3 17984 B10R1.172 CCN1CCC[C@H](C1)NC 2230a_100025775482_200000210301 [0,1,0,1,0,0|2,0,0]=4 17985 B10R1.172 CCN1CCC[C@H](C1)N[13CH3] 2230a_100025775482_200025704644 [0,1,0,1,0,0|2,0,0]=4 17986 B10R1.172 CCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210202 [0,1,0,1,0,0|2,0,0]=4 17987 B10R1.172 CCN1CCO[C@@H](C1)CO 269982a_100015189573_100000204670 [0,1,0,1,0,0|2,0,0]=4 17988 B10R1.172 CCN1CCO[C@@H](C1)CO 34a_100015189573_100000210202 [0,1,0,1,0,0|2,0,0]=4 17989 B10R1.172 CNC1CCCC(C1)C#N 270004a_106832991635_100000747296 [0,1,0,1,0,0|2,0,0]=4 17990 B10R1.172 CNC1CCCC(C1)SC 270004a_106832991635_100012138059 [0,1,0,1,0,0|1,1,0]=4 17991 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,1,0,1,0,0|1,0,0]=3 17992 B10R1.172 COC1CCCN(C1)CF 269982a_100000695604_100015361967 [0,1,0,1,0,0|2,0,0]=4 17993 B10R1.172 COC1CCCN(C1)CF 34a_100000695604_100015361967 [0,1,0,1,0,0|2,0,0]=4 17994 B10R1.172 OCC1CCCN(C1)CF 269982a_100000211344_100015361967 [0,1,0,1,0,0|2,0,0]=4 17995 B10R1.172 OCC1CCCN(C1)CF 34a_100000211344_100015361967 [0,1,0,1,0,0|2,0,0]=4 17996 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,1,0,1,0,0|1,0,0]=3 17997 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,1,0,1,0,0|1,0,0]=3 17998 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,1,0,1,0,0|1,0,0]=3 17999 B10R1.217 CCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000739092 [0,1,0,1,0,0|2,0,0]=4 18000 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011201679 [0,1,0,1,0,0|2,0,0]=4 18001 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000233755 [0,1,0,1,0,0|2,0,0]=4 18002 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000751147 [0,1,0,1,0,0|2,0,0]=4 18003 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000212216 [0,1,0,1,0,0|2,0,0]=4 18004 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 2230a_206633788156_100011934791 [0,1,0,1,0,0|2,0,0]=4 18005 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 269982a_206633788156_100011934791 [0,1,0,1,0,0|2,0,0]=4 18006 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [0,1,0,1,0,0|2,0,0]=4 18007 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [0,1,0,1,0,0|2,0,0]=4 18008 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,1,0,1,0,0|1,0,0]=3 18009 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,1,0,1,0,0|1,0,0]=3 18010 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|0,0,0]=2 18011 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|0,0,0]=2 18012 B10R1.232 CC1(CCCNCC1)O[13CH3] 34a_100000723723_200025704644 [0,1,0,1,0,0|1,0,0]=3 18013 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,1,0,1,0,0|1,0,0]=3 18014 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,1,0,1,0,0|1,0,0]=3 18015 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|0,0,0]=2 18016 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|0,0,0]=2 18017 B10R1.232 COC1(CCCNCC1)C 34a_100000723723_200000210301 [0,1,0,1,0,0|1,0,0]=3 18018 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [0,1,0,1,0,0|1,0,1]=4 18019 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [0,1,0,1,0,0|1,0,0]=3 18020 B10R1.463 CC1CCN1C[C@@H](C)CO 269982a_100000755817_100000059175 [0,1,0,1,0,0|1,0,0]=3 18021 B10R1.463 CC1CCN1C[C@@H](C)CO 34a_100000755817_100000059175 [0,1,0,1,0,0|1,0,0]=3 18022 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [0,1,0,1,0,0|1,0,0]=3 18023 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [0,1,0,1,0,0|1,0,0]=3 18024 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,1,0,1,0,0|2,0,0]=4 18025 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,1,0,1,0,0|2,0,0]=4 18026 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,1,0,1,0,0|1,0,0]=3 18027 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,1,0,1,0,0|1,0,0]=3 18028 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,1,0,1,0,0|2,0,0]=4 18029 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,1,0,1,0,0|2,0,0]=4 18030 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|1,0,1]=4 18031 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|1,0,1]=4 18032 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 18033 B10R1.23 CC(C)N(C)C1CCCC1 2230a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 18034 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 18035 B10R1.23 CC(C)N(C)C1CCCC1 269982a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 18036 B10R1.23 CC(C)N(C)C1CCCC1 269982a_200000211004_100000179811 [0,1,0,1,0,0|2,0,0]=4 18037 B10R1.23 CC(C)N(C)C1CCCC1 270004a_200000211004_100000210133 [0,1,0,1,0,0|2,0,0]=4 18038 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000207505_100000210206 [0,1,0,1,0,0|2,0,0]=4 18039 B10R1.23 CC(C)N(C)C1CCCC1 34a_100000736669_200000210301 [0,1,0,1,0,0|2,0,0]=4 18040 B10R1.23 CC(C)N([13CH3])C1CCCC1 2230a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 18041 B10R1.23 CC(C)N([13CH3])C1CCCC1 269982a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 18042 B10R1.23 CC(C)N([13CH3])C1CCCC1 34a_100000736669_200025704644 [0,1,0,1,0,0|2,0,0]=4 18043 B10R1.23 CC(C1CCCC1)N(C)C 2230a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 18044 B10R1.23 CC(C1CCCC1)N(C)C 269982a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 18045 B10R1.23 CC(C1CCCC1)N(C)C 270004a_100102631434_100000749594 [0,1,0,1,0,0|2,0,0]=4 18046 B10R1.23 CC(C1CCCC1)N(C)C 34a_106630658171_200000210301 [0,1,0,1,0,0|2,0,0]=4 18047 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 2230a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 18048 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 269982a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 18049 B10R1.23 CC(C1CCCC1)N(C)[13CH3] 34a_106630658171_200025704644 [0,1,0,1,0,0|2,0,0]=4 18050 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|1,0,1]=4 18051 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|0,0,1]=3 18052 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|1,0,1]=4 18053 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,1,0,0|1,0,1]=4 18054 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|0,0,1]=3 18055 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|1,0,1]=4 18056 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,1,0,0|1,0,1]=4 18057 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,1,0,0|1,0,1]=4 18058 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|0,0,2]=4 18059 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|0,0,1]=3 18060 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|1,0,1]=4 18061 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|1,0,1]=4 18062 B10R1.113 CC(C)N1CCCC(C1)F 2230a_100000697950_100000210206 [0,1,0,1,0,0|2,0,0]=4 18063 B10R1.113 CC(C)N1CCCC(C1)F 269982a_100000697950_100000210206 [0,1,0,1,0,0|2,0,0]=4 18064 B10R1.113 CC(C)N1CCCC(C1)F 34a_100000697950_100000210206 [0,1,0,1,0,0|2,0,0]=4 18065 B10R1.113 CC(C)N1CCCC(C1)O 2230a_100000211013_100000210206 [0,1,0,1,0,0|1,0,0]=3 18066 B10R1.113 CC(C)N1CCCC(C1)O 269982a_100000211013_100000210206 [0,1,0,1,0,0|1,0,0]=3 18067 B10R1.113 CC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 18068 B10R1.113 CC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 18069 B10R1.113 CC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000210206 [0,1,0,1,0,0|2,0,0]=4 18070 B10R1.113 CC(C)N1CCOC(C1)O 2230a_100000688207_100000210206 [0,1,0,1,0,0|2,0,0]=4 18071 B10R1.113 CC(C)N1CCOC(C1)O 269982a_100000688207_100000210206 [0,1,0,1,0,0|2,0,0]=4 18072 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,1,0,0|1,0,0]=3 18073 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,1,0,0|1,0,0]=3 18074 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,1,0,0|1,0,0]=3 18075 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,1,0,0|1,0,0]=3 18076 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,1,0,0|1,0,0]=3 18077 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,1,0,0|1,0,0]=3 18078 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|0,0,2]=4 18079 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,1,0,1,0,0|2,0,0]=4 18080 B10R1.113 CN(C)C1CCCC(C1)O 270004a_100102631434_100012613340 [0,1,0,1,0,0|1,0,0]=3 18081 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|0,0,1]=3 18082 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,1,0,1,0,0|1,0,1]=4 18083 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,1,0,1,0,0|1,0,1]=4 18084 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210303 [0,1,0,1,0,0|1,0,0]=3 18085 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210303 [0,1,0,1,0,0|1,0,0]=3 18086 B10R1.131 CCCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000210303 [0,1,0,1,0,0|2,0,0]=4 18087 B10R1.131 CCCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000210303 [0,1,0,1,0,0|2,0,0]=4 18088 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210303 [0,1,0,1,0,0|1,0,0]=3 18089 B10R1.131 CCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210303 [0,1,0,1,0,0|1,0,0]=3 18090 B10R1.131 CCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210303 [0,1,0,1,0,0|1,0,0]=3 18091 B10R1.131 CCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210303 [0,1,0,1,0,0|1,0,0]=3 18092 B10R1.131 COCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000766300 [0,1,0,1,0,0|2,0,0]=4 18093 B10R1.131 COCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000766300 [0,1,0,1,0,0|2,0,0]=4 18094 B10R1.131 COCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000766300 [0,1,0,1,0,0|2,0,0]=4 18095 B10R1.131 COCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000766300 [0,1,0,1,0,0|2,0,0]=4 18096 B10R1.131 COCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000766300 [0,1,0,1,0,0|2,0,0]=4 18097 B10R1.131 COCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000766300 [0,1,0,1,0,0|2,0,0]=4 18098 B10R1.131 CSCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100011218213 [0,1,0,1,0,0|2,0,0]=4 18099 B10R1.131 CSCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100011218213 [0,1,0,1,0,0|2,0,0]=4 18100 B10R1.131 CSCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100011218213 [0,1,0,1,0,0|2,0,0]=4 18101 B10R1.131 CSCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100011218213 [0,1,0,1,0,0|2,0,0]=4 18102 B10R1.131 CSCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011218213 [0,1,0,1,0,0|2,0,0]=4 18103 B10R1.131 CSCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011218213 [0,1,0,1,0,0|2,0,0]=4 18104 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCF 2230a_200015306588_100011217306 [0,1,0,1,0,0|2,0,0]=4 18105 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCF 269982a_200015306588_100011217306 [0,1,0,1,0,0|2,0,0]=4 18106 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 2230a_200015306588_100000211926 [0,1,0,1,0,0|2,0,0]=4 18107 B10R1.131 C[C@@H]1CN(C[C@@H]1O)CCO 269982a_200015306588_100000211926 [0,1,0,1,0,0|2,0,0]=4 18108 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000211926 [0,1,0,1,0,0|2,0,0]=4 18109 B10R1.131 OCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000211926 [0,1,0,1,0,0|2,0,0]=4 18110 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000211926 [0,1,0,1,0,0|2,0,0]=4 18111 B10R1.131 OCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000211926 [0,1,0,1,0,0|2,0,0]=4 18112 B10R1.131 O[C@@H]1CN(C[C@@H]1O)CCF 2230a_100015207562_100011217306 [0,1,0,1,0,0|2,0,0]=4 18113 B10R1.131 O[C@@H]1CN(C[C@@H]1O)CCF 269982a_100015207562_100011217306 [0,1,0,1,0,0|2,0,0]=4 18114 B10R1.131 O[C@H]1CN(C[C@@H]1F)CCF 2230a_100020590056_100011217306 [0,1,0,1,0,0|2,0,0]=4 18115 B10R1.131 O[C@H]1CN(C[C@@H]1F)CCF 269982a_100020590056_100011217306 [0,1,0,1,0,0|2,0,0]=4 18116 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|1,0,1]=4 18117 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,1,0,1,0,0|2,0,0]=4 18118 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,1,0,1,0,0|2,0,0]=4 18119 B10R1.176 CC1CCN(CC1O)CF 269982a_100000696640_100015361967 [0,1,0,1,0,0|2,0,0]=4 18120 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 18121 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 18122 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,1,0,1,0,0|2,0,0]=4 18123 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 18124 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 18125 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,1,0,1,0,0|2,0,0]=4 18126 B10R1.176 CCN1CCC(C(C1)C)O 2230a_100011998114_100000210202 [0,1,0,1,0,0|2,0,0]=4 18127 B10R1.176 CCN1CCC(C(C1)C)O 269982a_100011998114_100000204670 [0,1,0,1,0,0|2,0,0]=4 18128 B10R1.176 CCN1CCC(C(C1)O)C 2230a_100000696640_100000210202 [0,1,0,1,0,0|1,0,0]=3 18129 B10R1.176 CCN1CCC(C(C1)O)C 269982a_100000696640_100000204670 [0,1,0,1,0,0|1,0,0]=3 18130 B10R1.176 CCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000210202 [0,1,0,1,0,0|2,0,0]=4 18131 B10R1.176 CCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000204670 [0,1,0,1,0,0|2,0,0]=4 18132 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210202 [0,1,0,1,0,0|1,0,0]=3 18133 B10R1.176 CCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000204670 [0,1,0,1,0,0|1,0,0]=3 18134 B10R1.176 CNC1CCC(C(C1)C)C 270004a_106832991635_100000759390 [0,1,0,1,0,0|2,0,0]=4 18135 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,1,0,1,0,0|2,0,0]=4 18136 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,1,0,1,0,0|2,0,0]=4 18137 B10R1.176 O[C@@H]1CCN(C[C@@H]1O)CF 269982a_100000690696_100015361967 [0,1,0,1,0,0|2,0,0]=4 18138 B10R1.186 CC(NCCCF)C1CO1 270004a_100015189416_100000031964 [0,1,0,1,0,0|2,0,0]=4 18139 B10R1.186 CC(NCCCO)C1CO1 270004a_100000182051_100000031964 [0,1,0,1,0,0|2,0,0]=4 18140 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|1,0,1]=4 18141 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,1]=3 18142 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [0,1,0,1,0,0|2,0,0]=4 18143 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [0,1,0,1,0,0|2,0,0]=4 18144 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [0,1,0,1,0,0|2,0,0]=4 18145 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18146 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18147 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18148 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 18149 B10R1.186 CCCCNC(C)C1CC1 2230a_100000700016_100000210211 [0,1,0,1,0,0|2,0,0]=4 18150 B10R1.186 CCCCNC(C)C1CC1 269862a_100000102301_100000210639 [0,1,0,1,0,0|2,0,0]=4 18151 B10R1.186 CCCCNC(C)C1CC1 34a_100000700016_100000210210 [0,1,0,1,0,0|2,0,0]=4 18152 B10R1.186 CCCCNC(C)C1CO1 270004a_100000102301_100000031964 [0,1,0,1,0,0|1,0,0]=3 18153 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [0,1,0,1,0,0|2,0,0]=4 18154 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [0,1,0,1,0,0|2,0,0]=4 18155 B10R1.186 CCCNCC(O)C1CC1 2230a_100000751198_100000210303 [0,1,0,1,0,0|2,0,0]=4 18156 B10R1.186 CCCNCC(O)C1CC1 34a_100000751198_100000210303 [0,1,0,1,0,0|2,0,0]=4 18157 B10R1.186 CCCOC[C@H](N)C1CC1 34a_100020623730_100000210303 [0,1,0,1,0,0|2,0,0]=4 18158 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,1]=4 18159 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,1]=4 18160 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,1]=4 18161 B10R1.186 COCCNC(C)C1CO1 270004a_100000209980_100000031964 [0,1,0,1,0,0|2,0,0]=4 18162 B10R1.186 CSCCNC(C)C1CO1 270004a_100020590264_100000031964 [0,1,0,1,0,0|2,0,0]=4 18163 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,1]=4 18164 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,1]=4 18165 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|1,0,1]=4 18166 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|1,0,1]=4 18167 B10R1.204 CC(C)C(C)NC1CCC1 270004a_100000211541_100000241760 [0,1,0,1,0,0|2,0,0]=4 18168 B10R1.204 CC(C)N(C)CC1CCC1 2230a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 18169 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000211004_100000763275 [0,1,0,1,0,0|2,0,0]=4 18170 B10R1.204 CC(C)N(C)CC1CCC1 269982a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 18171 B10R1.204 CC(C)N(C)CC1CCC1 34a_200000750244_100000210206 [0,1,0,1,0,0|2,0,0]=4 18172 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|1,0,1]=4 18173 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|0,0,1]=3 18174 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|1,0,1]=4 18175 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|1,0,1]=4 18176 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,1,0,1,0,0|1,0,1]=4 18177 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|0,0,1]=3 18178 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|1,0,1]=4 18179 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|1,0,1]=4 18180 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,1,0,1,0,0|1,0,1]=4 18181 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,1,0,1,0,0|1,0,1]=4 18182 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,1,0,1,0,0|1,0,1]=4 18183 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|1,0,1]=4 18184 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|1,0,1]=4 18185 B10R1.205 CC(C)C(C)NCC1CC1 2230a_100000211541_100000742324 [0,1,0,1,0,0|2,0,0]=4 18186 B10R1.205 CC(C)C(C)NCC1CC1 269862a_100000211541_100000741477 [0,1,0,1,0,0|2,0,0]=4 18187 B10R1.205 CC(C)C(C)OCC1CC1 7a_100000748068_100000742324 [0,1,0,1,0,0|2,0,0]=4 18188 B10R1.205 CC(C)C(O)CNC1CC1 34a_100000759067_100000211595 [0,1,0,1,0,0|2,0,0]=4 18189 B10R1.205 CC(C)N(C)CCC1CC1 269982a_200000211004_100000694398 [0,1,0,1,0,0|2,0,0]=4 18190 B10R1.205 CC(C)[C@@H](N)COC1CC1 34a_100011830312_100000211595 [0,1,0,1,0,0|2,0,0]=4 18191 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|1,0,1]=4 18192 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|0,0,1]=3 18193 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|1,0,1]=4 18194 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,1,0,1,0,0|1,0,1]=4 18195 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|0,0,1]=3 18196 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|1,0,1]=4 18197 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,1,0,1,0,0|1,0,1]=4 18198 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,1,0,1,0,0|1,0,1]=4 18199 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,1,0,1,0,0|1,0,1]=4 18200 B10R1.259 CCN1CCC(C1(C)C)C 2230a_102516457003_100000210202 [0,1,0,1,0,0|2,0,0]=4 18201 B10R1.259 CCN1CCC(C1(C)C)C 269982a_102516457003_100000204670 [0,1,0,1,0,0|2,0,0]=4 18202 B10R1.259 CCN1CCC(C1(C)C)C 34a_102516457003_100000210202 [0,1,0,1,0,0|2,0,0]=4 18203 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|0,0,2]=4 18204 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|0,0,2]=4 18205 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|0,0,2]=4 18206 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|0,0,2]=4 18207 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|0,0,2]=4 18208 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|0,0,2]=4 18209 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 18210 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|2,0,0]=4 18211 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,1,0,1,0,0|2,0,0]=4 18212 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,1,0,1,0,0|2,0,0]=4 18213 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 18214 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|2,0,0]=4 18215 B10R1.43 CCN1C(CCC1(C)C)C 2230a_100015204717_100000210202 [0,1,0,1,0,0|2,0,0]=4 18216 B10R1.43 CCN1C(CCC1(C)C)C 269982a_100015204717_100000204670 [0,1,0,1,0,0|2,0,0]=4 18217 B10R1.43 CCN1C(CCC1(C)C)C 34a_100015204717_100000210202 [0,1,0,1,0,0|2,0,0]=4 18218 B10R1.82 C=C(C)CCN1CC(C1)O 269982a_100000749847_100000730704 [0,1,0,1,0,0|1,0,1]=4 18219 B10R1.82 C=C(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748629 [0,1,0,1,0,0|1,0,1]=4 18220 B10R1.82 C=C1CC(C1)NCC(C)O 2230a_100132301982_100011218427 [0,1,0,1,0,0|1,0,1]=4 18221 B10R1.82 C=C1CC(C1)NC[C@@H](C)O 2230a_100132301982_100009817552 [0,1,0,1,0,0|1,0,1]=4 18222 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,1,0,1,0,0|1,0,1]=4 18223 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,1,0,1,0,0|1,0,1]=4 18224 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,1,0,1,0,0|1,0,1]=4 18225 B10R1.82 CC(C)CCN1CC(C1)C 2230a_100000702820_100000210312 [0,1,0,1,0,0|2,0,0]=4 18226 B10R1.82 CC(C)CCN1CC(C1)C 269982a_100000702820_100000210312 [0,1,0,1,0,0|2,0,0]=4 18227 B10R1.82 CC(C)CCN1CC(C1)C 34a_100000702820_100000210312 [0,1,0,1,0,0|2,0,0]=4 18228 B10R1.82 CC(C)CCN1CC(C1)F 2230a_100000690557_100000210312 [0,1,0,1,0,0|2,0,0]=4 18229 B10R1.82 CC(C)CCN1CC(C1)F 269982a_100000690557_100000210312 [0,1,0,1,0,0|2,0,0]=4 18230 B10R1.82 CC(C)CCN1CC(C1)F 34a_100000690557_100000210312 [0,1,0,1,0,0|2,0,0]=4 18231 B10R1.82 CC(C)CCN1CC(C1)O 269982a_100000749847_100000210312 [0,1,0,1,0,0|1,0,0]=3 18232 B10R1.82 CC(C)CNC1CC(C1)F 2230a_100016993743_100000210760 [0,1,0,1,0,0|2,0,0]=4 18233 B10R1.82 CC(C)CNC1CC(C1)F 270004a_100016993743_100000210432 [0,1,0,1,0,0|2,0,0]=4 18234 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210760 [0,1,0,1,0,0|1,0,0]=3 18235 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000210432 [0,1,0,1,0,0|1,0,0]=3 18236 B10R1.82 CC(C)NCC1CC(C1)O 2230a_100016992100_100000210206 [0,1,0,1,0,0|1,0,0]=3 18237 B10R1.82 CC(C)OCC1CC(C1)Cl 34a_100009874164_100000210206 [0,1,0,1,0,0|2,0,0]=4 18238 B10R1.82 CC(C)OCN1CC(C1)O 269982a_100000749847_100000709892 [0,1,0,1,0,0|2,0,0]=4 18239 B10R1.82 CC(O)CCN1CC(C1)C 2230a_100000702820_100012276601 [0,1,0,1,0,0|1,0,0]=3 18240 B10R1.82 CC(O)CCN1CC(C1)C 269982a_100000702820_100012276601 [0,1,0,1,0,0|1,0,0]=3 18241 B10R1.82 CC(O)CCN1CC(C1)C 34a_100000702820_100012276601 [0,1,0,1,0,0|1,0,0]=3 18242 B10R1.82 CC(O)CCN1CC(C1)F 2230a_100000690557_100012276601 [0,1,0,1,0,0|1,0,0]=3 18243 B10R1.82 CC(O)CCN1CC(C1)F 269982a_100000690557_100012276601 [0,1,0,1,0,0|1,0,0]=3 18244 B10R1.82 CC(O)CCN1CC(C1)F 34a_100000690557_100012276601 [0,1,0,1,0,0|1,0,0]=3 18245 B10R1.82 CC(O)CCN1CC(C1)O 269982a_100000749847_100012276601 [0,1,0,1,0,0|1,0,0]=3 18246 B10R1.82 CC(O)CNC1CC(C1)F 2230a_100016993743_100011218427 [0,1,0,1,0,0|1,0,0]=3 18247 B10R1.82 CC(O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218427 [0,1,0,1,0,0|1,0,0]=3 18248 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,1,0,1,0,0|1,0,1]=4 18249 B10R1.82 CN(C)CCN1CC(C1)O 269982a_100000749847_100000755713 [0,1,0,1,0,0|2,0,0]=4 18250 B10R1.82 C[C@@H](O)CNC1CC(C1)F 2230a_100016993743_100009817552 [0,1,0,1,0,0|1,0,0]=3 18251 B10R1.82 C[C@@H](O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009817552 [0,1,0,1,0,0|1,0,0]=3 18252 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,1,0,1,0,0|1,0,1]=4 18253 B10R1.82 O[C@H]1C[C@@H](C1)NCC(F)F 2230a_100020629032_100011934356 [0,1,0,1,0,0|2,0,0]=4 18254 B10R1.136 CCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000766640 [0,1,0,1,0,0|2,0,0]=4 18255 B10R1.136 CCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000766640 [0,1,0,1,0,0|2,0,0]=4 18256 B10R1.136 CCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000766640 [0,1,0,1,0,0|2,0,0]=4 18257 B10R1.138 CC(CCBr)OCC1CO1 34a_100012276601_102125554688 [0,1,0,1,0,0|2,0,0]=4 18258 B10R1.138 CC(CCO)OC[C@@H]1CO1 34a_100000757423_100009893172 [0,1,0,1,0,0|2,0,0]=4 18259 B10R1.138 CC(CCO)SCC1CO1 62a_100009893172_102125554688 [0,1,0,1,0,0|2,0,0]=4 18260 B10R1.138 CC(CCO)SCC1CO1 62a_102125554688_100009893172 [0,1,0,1,0,0|2,0,0]=4 18261 B10R1.138 CC(CCO)SC[C@@H]1CO1 62a_100000745022_100009893172 [0,1,0,1,0,0|2,0,0]=4 18262 B10R1.138 CC(CCO)SC[C@@H]1CO1 62a_100009893172_100000745022 [0,1,0,1,0,0|2,0,0]=4 18263 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|1,0,1]=4 18264 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|1,0,1]=4 18265 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|0,0,1]=3 18266 B10R1.138 CCCC(C)CNC1CC1 34a_100000212008_100011216630 [0,1,0,1,0,0|2,0,0]=4 18267 B10R1.138 CCCC(C)COC1CC1 34a_100000688023_100000211595 [0,1,0,1,0,0|2,0,0]=4 18268 B10R1.138 CCCC(C)CSC1CC1 62a_100011216630_100000211595 [0,1,0,1,0,0|2,0,0]=4 18269 B10R1.138 CCCC(C)NCC1CC1 2230a_100000735609_100000766640 [0,1,0,1,0,0|2,0,0]=4 18270 B10R1.138 CCCC(C)NCC1CC1 2230a_100000741246_100000742324 [0,1,0,1,0,0|2,0,0]=4 18271 B10R1.138 CCCC(C)NCC1CC1 269862a_100000741246_100000741477 [0,1,0,1,0,0|2,0,0]=4 18272 B10R1.138 CCCC(C)NCC1CC1 270004a_100000735609_100000211909 [0,1,0,1,0,0|2,0,0]=4 18273 B10R1.138 CCCC(C)NCC1CC1 34a_100000735609_100000766640 [0,1,0,1,0,0|2,0,0]=4 18274 B10R1.138 CCCC(C)NCC1CO1 2230a_100000741246_100011216344 [0,1,0,1,0,0|1,0,0]=3 18275 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [0,1,0,1,0,0|2,0,0]=4 18276 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 18277 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [0,1,0,1,0,0|2,0,0]=4 18278 B10R1.138 CCCC(C)OCC1CO1 34a_100000764384_102125554688 [0,1,0,1,0,0|1,0,0]=3 18279 B10R1.138 CCCC(C)OCC1CO1 7a_100000764384_102125554688 [0,1,0,1,0,0|1,0,0]=3 18280 B10R1.138 CCCC(C)OCC1CS1 7a_100000764384_100000031435 [0,1,0,1,0,0|1,1,0]=4 18281 B10R1.138 CCCC(C)OC[C@@H]1CO1 34a_100000757423_100000766640 [0,1,0,1,0,0|1,0,0]=3 18282 B10R1.138 CCCC(C)OC[C@@H]1CO1 7a_100000764384_100000745022 [0,1,0,1,0,0|1,0,0]=3 18283 B10R1.138 CCCC(C)SCC1CC1 62a_100000756562_100000766640 [0,1,0,1,0,0|2,0,0]=4 18284 B10R1.138 CCCC(C)SCC1CC1 62a_100000766640_100000742324 [0,1,0,1,0,0|2,0,0]=4 18285 B10R1.138 CCCC(C)SCC1CO1 62a_100000766640_102125554688 [0,1,0,1,0,0|1,0,0]=3 18286 B10R1.138 CCCC(C)SCC1CO1 62a_102125554688_100000766640 [0,1,0,1,0,0|1,0,0]=3 18287 B10R1.138 CCCC(C)SCC1CS1 62a_100000031435_100000766640 [0,1,0,1,0,0|1,1,0]=4 18288 B10R1.138 CCCC(C)SCC1CS1 62a_100000766640_100000031435 [0,1,0,1,0,0|1,1,0]=4 18289 B10R1.138 CCCC(C)SC[C@@H]1CO1 62a_100000745022_100000766640 [0,1,0,1,0,0|1,0,0]=3 18290 B10R1.138 CCCC(C)SC[C@@H]1CO1 62a_100000766640_100000745022 [0,1,0,1,0,0|1,0,0]=3 18291 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 18292 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [0,1,0,1,0,0|2,0,0]=4 18293 B10R1.138 CCCN(C)CCC1CO1 2230a_100000747261_100000732470 [0,1,0,1,0,0|1,0,0]=3 18294 B10R1.138 CCCN(C)CCC1CO1 269982a_100000747261_100000732470 [0,1,0,1,0,0|1,0,0]=3 18295 B10R1.138 CCC[C@H](N)COC1CC1 34a_100000732646_100000211595 [0,1,0,1,0,0|2,0,0]=4 18296 B10R1.138 CN(CCO)CCC1CO1 2230a_100000210263_100000732470 [0,1,0,1,0,0|2,0,0]=4 18297 B10R1.138 CN(CCO)CCC1CO1 269982a_100000210263_100000732470 [0,1,0,1,0,0|2,0,0]=4 18298 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|1,0,1]=4 18299 B10R1.138 COCC(C)OC[C@@H]1CO1 34a_100000757423_100000765312 [0,1,0,1,0,0|2,0,0]=4 18300 B10R1.138 COCC(C)SCC1CO1 62a_100000765312_102125554688 [0,1,0,1,0,0|2,0,0]=4 18301 B10R1.138 COCC(C)SCC1CO1 62a_102125554688_100000765312 [0,1,0,1,0,0|2,0,0]=4 18302 B10R1.138 COCC(C)SC[C@@H]1CO1 62a_100000745022_100000765312 [0,1,0,1,0,0|2,0,0]=4 18303 B10R1.138 COCC(C)SC[C@@H]1CO1 62a_100000765312_100000745022 [0,1,0,1,0,0|2,0,0]=4 18304 B10R1.138 COC[C@@H](C)NCC1CO1 2230a_100000764878_100011216344 [0,1,0,1,0,0|2,0,0]=4 18305 B10R1.138 COC[C@@H](C)OCC1CO1 34a_100011934205_102125554688 [0,1,0,1,0,0|2,0,0]=4 18306 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|1,0,1]=4 18307 B10R1.138 C[C@H](CCO)NCC1CO1 2230a_100000706166_100011216344 [0,1,0,1,0,0|2,0,0]=4 18308 B10R1.138 C[C@H](CCO)NCC1CO1 34a_100000706166_102125554688 [0,1,0,1,0,0|2,0,0]=4 18309 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|1,0,1]=4 18310 B10R1.140 CC(CCO)N1CC(C1)O 269982a_100000749847_100009893172 [0,1,0,1,0,0|2,0,0]=4 18311 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,1,0,1,0,0|1,0,1]=4 18312 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,1,0,1,0,0|1,0,1]=4 18313 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,1,0,1,0,0|1,0,1]=4 18314 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,1,0,1,0,0|1,0,1]=4 18315 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,1,0,1,0,0|1,0,1]=4 18316 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,1,0,1,0,0|0,0,1]=3 18317 B10R1.140 CCCC(C)N1CC(C1)C 2230a_100000702820_100000766640 [0,1,0,1,0,0|2,0,0]=4 18318 B10R1.140 CCCC(C)N1CC(C1)C 269982a_100000702820_100000766640 [0,1,0,1,0,0|2,0,0]=4 18319 B10R1.140 CCCC(C)N1CC(C1)C 270004a_100000702820_100000211909 [0,1,0,1,0,0|2,0,0]=4 18320 B10R1.140 CCCC(C)N1CC(C1)C 34a_100000702820_100000766640 [0,1,0,1,0,0|2,0,0]=4 18321 B10R1.140 CCCC(C)N1CC(C1)F 2230a_100000690557_100000766640 [0,1,0,1,0,0|2,0,0]=4 18322 B10R1.140 CCCC(C)N1CC(C1)F 269982a_100000690557_100000766640 [0,1,0,1,0,0|2,0,0]=4 18323 B10R1.140 CCCC(C)N1CC(C1)F 270004a_100000690557_100000211909 [0,1,0,1,0,0|2,0,0]=4 18324 B10R1.140 CCCC(C)N1CC(C1)F 34a_100000690557_100000766640 [0,1,0,1,0,0|2,0,0]=4 18325 B10R1.140 CCCC(C)N1CC(C1)O 269982a_100000749847_100000766640 [0,1,0,1,0,0|1,0,0]=3 18326 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,1,0,1,0,0|1,0,1]=4 18327 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,1,0,1,0,0|1,0,1]=4 18328 B10R1.140 COCC(C)N1CC(C1)O 269982a_100000749847_100000765312 [0,1,0,1,0,0|2,0,0]=4 18329 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,1,0,1,0,0|1,0,1]=4 18330 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,1,0,1,0,0|1,0,1]=4 18331 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|1,0,1]=4 18332 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000226674_100000210312 [0,1,0,1,0,0|2,0,0]=4 18333 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000737065_200000210301 [0,1,0,1,0,0|2,0,0]=4 18334 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000226674_100000210312 [0,1,0,1,0,0|2,0,0]=4 18335 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000737065_200000210301 [0,1,0,1,0,0|2,0,0]=4 18336 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000742789_100000211595 [0,1,0,1,0,0|2,0,0]=4 18337 B10R1.211 CC(C)CCN([13CH3])C1CC1 2230a_100000737065_200025704644 [0,1,0,1,0,0|2,0,0]=4 18338 B10R1.211 CC(C)CCN([13CH3])C1CC1 269982a_100000737065_200025704644 [0,1,0,1,0,0|2,0,0]=4 18339 B10R1.211 CC(C)CNC(C)C1CC1 2230a_100000700016_100000210760 [0,1,0,1,0,0|2,0,0]=4 18340 B10R1.211 CC(C)CNC(C)C1CC1 269862a_100000210953_100000210639 [0,1,0,1,0,0|2,0,0]=4 18341 B10R1.211 CC(C)CNC(C)C1CC1 270004a_100000700016_100000210432 [0,1,0,1,0,0|2,0,0]=4 18342 B10R1.211 CC(C)CNC(C)C1CC1 34a_100000700016_100000210624 [0,1,0,1,0,0|2,0,0]=4 18343 B10R1.211 CC(C)COC(C)C1CC1 34a_100000744524_100000210624 [0,1,0,1,0,0|2,0,0]=4 18344 B10R1.211 CC(C)COC(C)C1CC1 7a_100000744524_100000210760 [0,1,0,1,0,0|2,0,0]=4 18345 B10R1.211 CC(C)NCC(O)C1CC1 2230a_100000751198_100000210206 [0,1,0,1,0,0|2,0,0]=4 18346 B10R1.211 CC(C)NCC(O)C1CC1 34a_100000751198_100000210206 [0,1,0,1,0,0|2,0,0]=4 18347 B10R1.211 CC(C)OC[C@H](N)C1CC1 34a_100020623730_100000210206 [0,1,0,1,0,0|2,0,0]=4 18348 B10R1.211 CC(NC[C@@H](C)O)C1CC1 2230a_100000700016_100009817552 [0,1,0,1,0,0|1,0,0]=3 18349 B10R1.211 CC(NC[C@@H](C)O)C1CC1 34a_100000700016_100009817552 [0,1,0,1,0,0|1,0,0]=3 18350 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|0,0,1]=3 18351 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|1,0,1]=4 18352 B10R1.211 CC(O)CCN(C)C1CC1 2230a_100000226674_100012276601 [0,1,0,1,0,0|1,0,0]=3 18353 B10R1.211 CC(O)CCN(C)C1CC1 269982a_100000226674_100012276601 [0,1,0,1,0,0|1,0,0]=3 18354 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,1,0,1,0,0|1,0,1]=4 18355 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,1,0,1,0,0|1,0,1]=4 18356 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,1,0,1,0,0|1,0,1]=4 18357 B10R1.211 CC(O)CNC(C)C1CC1 2230a_100000700016_100011218427 [0,1,0,1,0,0|1,0,0]=3 18358 B10R1.211 CC(O)CNC(C)C1CC1 269862a_100000210904_100000210639 [0,1,0,1,0,0|1,0,0]=3 18359 B10R1.211 CC(O)CNC(C)C1CC1 34a_100000700016_100011218427 [0,1,0,1,0,0|1,0,0]=3 18360 B10R1.211 CC(O)CNC(C)C1CO1 270004a_100000210904_100000031964 [0,1,0,1,0,0|2,0,0]=4 18361 B10R1.211 CC(O)COC(C)C1CC1 34a_100000744524_100011218427 [0,1,0,1,0,0|1,0,0]=3 18362 B10R1.211 CC(O)COC(C)C1CC1 7a_100000744524_100011218427 [0,1,0,1,0,0|1,0,0]=3 18363 B10R1.211 CC(OC[C@@H](C)O)C1CC1 34a_100000744524_100009817552 [0,1,0,1,0,0|1,0,0]=3 18364 B10R1.211 CC(OC[C@@H](C)O)C1CC1 7a_100000744524_100009817552 [0,1,0,1,0,0|1,0,0]=3 18365 B10R1.353 CC(C)CNC1(CCC1)C 2230a_100000692455_100000210760 [0,1,0,1,0,0|2,0,0]=4 18366 B10R1.353 CC(C)CNC1(CCC1)C 270004a_100000692455_100000210432 [0,1,0,1,0,0|2,0,0]=4 18367 B10R1.353 CC(C)CNC1(CCC1)C 34a_100000692455_100000210624 [0,1,0,1,0,0|2,0,0]=4 18368 B10R1.353 CC(C)COC1(CCC1)C 34a_100000759064_100000210624 [0,1,0,1,0,0|2,0,0]=4 18369 B10R1.353 CC(C)COC1(CCC1)C 7a_100000759064_100000210760 [0,1,0,1,0,0|2,0,0]=4 18370 B10R1.353 CC(C)NCC1(CCC1)C 2230a_100000706607_100000210206 [0,1,0,1,0,0|2,0,0]=4 18371 B10R1.353 CC(C)NCC1(CCC1)C 2230a_100138425928_100000726658 [0,1,0,1,0,0|2,0,0]=4 18372 B10R1.353 CC(C)NCC1(CCC1)C 34a_100138425928_100000726658 [0,1,0,1,0,0|2,0,0]=4 18373 B10R1.353 CC(C)NCC1(CCC1)O 2230a_100000752638_100000210206 [0,1,0,1,0,0|2,0,0]=4 18374 B10R1.353 CC(C)OCC1(CCC1)C 34a_100000212225_100000726658 [0,1,0,1,0,0|2,0,0]=4 18375 B10R1.353 CC(C)SCC1(CCC1)C 62a_100000210206_100000726658 [0,1,0,1,0,0|2,0,0]=4 18376 B10R1.353 CC(C)SCC1(CCC1)C 62a_100000726658_100000210206 [0,1,0,1,0,0|2,0,0]=4 18377 B10R1.353 CC(O)CNC1(CCC1)C 2230a_100000692455_100011218427 [0,1,0,1,0,0|1,0,0]=3 18378 B10R1.353 CC(O)CNC1(CCC1)C 34a_100000692455_100011218427 [0,1,0,1,0,0|1,0,0]=3 18379 B10R1.353 CC(O)CNC1(COC1)C 2230a_100000732644_100011218427 [0,1,0,1,0,0|2,0,0]=4 18380 B10R1.353 CC(O)COC1(CCC1)C 34a_100000759064_100011218427 [0,1,0,1,0,0|1,0,0]=3 18381 B10R1.353 CC(O)COC1(CCC1)C 7a_100000759064_100011218427 [0,1,0,1,0,0|1,0,0]=3 18382 B10R1.353 CC(O)COC1(CSC1)C 7a_100016018533_100011218427 [0,1,0,1,0,0|2,0,0]=4 18383 B10R1.353 C[C@@H](O)CNC1(CCC1)C 2230a_100000692455_100009817552 [0,1,0,1,0,0|1,0,0]=3 18384 B10R1.353 C[C@@H](O)CNC1(CCC1)C 34a_100000692455_100009817552 [0,1,0,1,0,0|1,0,0]=3 18385 B10R1.353 C[C@@H](O)CNC1(COC1)C 2230a_100000732644_100009817552 [0,1,0,1,0,0|2,0,0]=4 18386 B10R1.353 C[C@@H](O)COC1(CCC1)C 34a_100000759064_100009817552 [0,1,0,1,0,0|1,0,0]=3 18387 B10R1.353 C[C@@H](O)COC1(CCC1)C 7a_100000759064_100009817552 [0,1,0,1,0,0|1,0,0]=3 18388 B10R1.353 C[C@@H](O)COC1(CSC1)C 7a_100016018533_100009817552 [0,1,0,1,0,0|2,0,0]=4 18389 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,1,0,1,0,0|1,0,1]=4 18390 B10R1.128 CC(C)N1CCCC1(C)C 2230a_100000761399_100000210206 [0,1,0,1,0,0|2,0,0]=4 18391 B10R1.128 CC(C)N1CCCC1(C)C 269982a_100000761399_100000210206 [0,1,0,1,0,0|2,0,0]=4 18392 B10R1.128 CC(C)N1CCCC1(C)C 34a_100000761399_100000210206 [0,1,0,1,0,0|2,0,0]=4 18393 B10R1.352 CC(C)OCC1CC1(C)C 34a_100000728257_100000210206 [0,1,0,1,0,0|2,0,0]=4 18394 B10R1.352 CC(C)OCC1CC1(C)C 7a_100000728257_100000210206 [0,1,0,1,0,0|2,0,0]=4 18395 B10R1.352 CC(O)CNC1CC1(F)F 2230a_100020610826_100011218427 [0,1,0,1,0,0|2,0,0]=4 18396 B10R1.352 CC(O)CNC1CC1(F)F 34a_100020610826_100011218427 [0,1,0,1,0,0|2,0,0]=4 18397 B10R1.352 C[C@@H](O)CNC1CC1(F)F 2230a_100020610826_100009817552 [0,1,0,1,0,0|2,0,0]=4 18398 B10R1.352 C[C@@H](O)CNC1CC1(F)F 34a_100020610826_100009817552 [0,1,0,1,0,0|2,0,0]=4 18399 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 18400 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 18401 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,2,0,0|2,0,0]=4 18402 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 18403 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 18404 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,2,0,0|2,0,0]=4 18405 B10R2.71 CN1CC2CCC(C1)O2 2230a_100015188616_200000210301 [0,0,0,2,0,0|1,0,0]=3 18406 B10R2.71 CN1CC2CCC(C1)O2 269982a_100015188616_200000210301 [0,0,0,2,0,0|1,0,0]=3 18407 B10R2.71 CN1CC2CCC(C1)O2 34a_100015188616_200000210301 [0,0,0,2,0,0|1,0,0]=3 18408 B10R2.71 [13CH3]N1CC2CCC(C1)O2 2230a_100015188616_200025704644 [0,0,0,2,0,0|1,0,0]=3 18409 B10R2.71 [13CH3]N1CC2CCC(C1)O2 269982a_100015188616_200025704644 [0,0,0,2,0,0|1,0,0]=3 18410 B10R2.71 [13CH3]N1CC2CCC(C1)O2 34a_100015188616_200025704644 [0,0,0,2,0,0|1,0,0]=3 18411 B10R2.99 CCN1CC2CCC1C2 2230a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 18412 B10R2.99 CCN1CC2CCC1C2 269982a_100000743476_100000204670 [0,0,0,2,0,0|2,0,0]=4 18413 B10R2.99 CCN1CC2CCC1C2 34a_100000743476_100000210202 [0,0,0,2,0,0|2,0,0]=4 18414 B10R2.99 CNC1CC2CCC1C2 2230a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 18415 B10R2.99 CNC1CC2CCC1C2 269862a_106832991636_100000223372 [0,0,0,2,0,0|2,0,0]=4 18416 B10R2.99 CNC1CC2CCC1C2 270004a_106832991635_100000223372 [0,0,0,2,0,0|2,0,0]=4 18417 B10R2.99 CNC1CC2CCC1C2 34a_100000758229_200000210301 [0,0,0,2,0,0|2,0,0]=4 18418 B10R2.99 CNC1CC2CCC1C2 34a_100102657272_100000727232 [0,0,0,2,0,0|2,0,0]=4 18419 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,0,0,2,0,0|2,0,0]=4 18420 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,0,0,2,0,0|2,0,0]=4 18421 B10R2.99 CSC1CC2CCC1C2 62a_100000727232_200000210301 [0,0,0,2,0,0|2,0,0]=4 18422 B10R2.99 CSC1CC2CCC1C2 62a_200000210301_100000727232 [0,0,0,2,0,0|2,0,0]=4 18423 B10R2.99 [13CH3]NC1CC2CCC1C2 2230a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 18424 B10R2.99 [13CH3]NC1CC2CCC1C2 34a_100000758229_200025704644 [0,0,0,2,0,0|2,0,0]=4 18425 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,0,0,2,0,0|2,0,0]=4 18426 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_100000727232_200025704644 [0,0,0,2,0,0|2,0,0]=4 18427 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_200025704644_100000727232 [0,0,0,2,0,0|2,0,0]=4 18428 B10R2.402 CNC1CCCC2C1C2 269862a_106832991636_100000697651 [0,0,0,2,0,0|2,0,0]=4 18429 B10R2.355 CN(C)C1CCC2C1C2 270004a_100102631434_100000692480 [0,0,0,2,0,0|2,0,0]=4 18430 B10R2.357 CC(C)N1CC2CC2C1 2230a_100000741873_100000210206 [0,0,0,2,0,0|2,0,0]=4 18431 B10R2.357 CC(C)N1CC2CC2C1 269982a_100000741873_100000210206 [0,0,0,2,0,0|2,0,0]=4 18432 B10R2.357 CC(C)N1CC2CC2C1 34a_100000741873_100000210206 [0,0,0,2,0,0|2,0,0]=4 18433 B10R2.357 CN(C)C1CC2CC2C1 270004a_100102631434_100010340937 [0,0,0,2,0,0|2,0,0]=4 18434 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 18435 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 18436 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [0,0,0,2,0,0|2,0,0]=4 18437 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 18438 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 18439 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [0,0,0,2,0,0|2,0,0]=4 18440 B10R2.14 CN1CCC(C1)C2CC2 2230a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 18441 B10R2.14 CN1CCC(C1)C2CC2 269982a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 18442 B10R2.14 CN1CCC(C1)C2CC2 34a_100000695110_200000210301 [0,0,0,2,0,0|2,0,0]=4 18443 B10R2.14 C[C@@H]1CCN(C1)C2CC2 269982a_100016987628_100000211595 [0,0,0,2,0,0|2,0,0]=4 18444 B10R2.14 C[C@@H]1CCN(C1)C2CC2 34a_100016987628_100000211595 [0,0,0,2,0,0|2,0,0]=4 18445 B10R2.14 F[C@H]1CCN(C1)C2CC2 269982a_100015203821_100000211595 [0,0,0,2,0,0|2,0,0]=4 18446 B10R2.14 F[C@H]1CCN(C1)C2CC2 34a_100015203821_100000211595 [0,0,0,2,0,0|2,0,0]=4 18447 B10R2.14 OC1CCN(C1)C2CC2 269982a_100011215560_100000211595 [0,0,0,2,0,0|1,0,0]=3 18448 B10R2.14 [13CH3]N1CCC(C1)C2CC2 2230a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 18449 B10R2.14 [13CH3]N1CCC(C1)C2CC2 269982a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 18450 B10R2.14 [13CH3]N1CCC(C1)C2CC2 34a_100000695110_200025704644 [0,0,0,2,0,0|2,0,0]=4 18451 B10R2.58 CCCN1CC2CC2C1 2230a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 18452 B10R2.58 CCCN1CC2CC2C1 269982a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 18453 B10R2.58 CCCN1CC2CC2C1 34a_100000741873_100000210303 [0,0,0,2,0,0|2,0,0]=4 18454 B10R2.58 CCNC1CC2CC2C1 270004a_100015525214_100010340937 [0,0,0,2,0,0|2,0,0]=4 18455 B10R2.332 CN1CCC2(C1)CCC2 2230a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 18456 B10R2.332 CN1CCC2(C1)CCC2 269982a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 18457 B10R2.332 CN1CCC2(C1)CCC2 34a_100000686913_200000210301 [0,0,0,2,0,0|2,0,0]=4 18458 B10R2.332 [13CH3]N1CCC2(C1)CCC2 2230a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 18459 B10R2.332 [13CH3]N1CCC2(C1)CCC2 269982a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 18460 B10R2.332 [13CH3]N1CCC2(C1)CCC2 34a_100000686913_200025704644 [0,0,0,2,0,0|2,0,0]=4 18461 B10R2.368 CCNC1CCC2C1C2 269862a_100015525214_100000692480 [0,0,0,2,0,0|2,0,0]=4 18462 B10R2.368 CCNC1CCC2C1C2 270004a_100015525214_100000692480 [0,0,0,2,0,0|2,0,0]=4 18463 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [0,0,0,2,0,0|2,0,0]=4 18464 B10R2.267 CC1CN(C1)CC2CC2 2230a_100000702820_100000742324 [0,0,0,2,0,0|2,0,0]=4 18465 B10R2.267 CC1CN(C1)CC2CC2 269982a_100000702820_100000756562 [0,0,0,2,0,0|2,0,0]=4 18466 B10R2.267 CC1CN(C1)CC2CC2 34a_100000702820_100000742324 [0,0,0,2,0,0|2,0,0]=4 18467 B10R2.267 FC1CN(C1)CC2CC2 2230a_100000690557_100000742324 [0,0,0,2,0,0|2,0,0]=4 18468 B10R2.267 FC1CN(C1)CC2CC2 269982a_100000690557_100000756562 [0,0,0,2,0,0|2,0,0]=4 18469 B10R2.267 FC1CN(C1)CC2CC2 34a_100000690557_100000742324 [0,0,0,2,0,0|2,0,0]=4 18470 B10R2.267 OC1CN(C1)CC2CC2 269982a_100000749847_100000756562 [0,0,0,2,0,0|1,0,0]=3 18471 B10R2.267 OC1CN(C1)CC2CO2 269982a_100000749847_102125554688 [0,0,0,2,0,0|2,0,0]=4 18472 B10R2.267 OC1CN(C1)CC2CS2 269982a_100000749847_100000031435 [0,0,0,2,0,0|2,0,0]=4 18473 B10R2.267 OC1CN(C1)C[C@@H]2CO2 269982a_100000749847_100000745022 [0,0,0,2,0,0|2,0,0]=4 18474 B10R2.337 CC1CN(C1)C2CCC2 269982a_100000702820_100000749161 [0,0,0,2,0,0|2,0,0]=4 18475 B10R2.337 CC1CN(C1)C2CCC2 270004a_100000702820_100000241760 [0,0,0,2,0,0|2,0,0]=4 18476 B10R2.337 CC1CN(C1)C2CCC2 34a_100000702820_100000749161 [0,0,0,2,0,0|2,0,0]=4 18477 B10R2.337 FC1CN(C1)C2CCC2 269982a_100000690557_100000749161 [0,0,0,2,0,0|2,0,0]=4 18478 B10R2.337 FC1CN(C1)C2CCC2 270004a_100000690557_100000241760 [0,0,0,2,0,0|2,0,0]=4 18479 B10R2.337 FC1CN(C1)C2CCC2 34a_100000690557_100000749161 [0,0,0,2,0,0|2,0,0]=4 18480 B10R2.337 OC1CN(C1)C2CCC2 269982a_100000749847_100000749161 [0,0,0,2,0,0|1,0,0]=3 18481 B10R2.337 OC1CN(C1)C2COC2 269982a_100000749847_100000687716 [0,0,0,2,0,0|2,0,0]=4 18482 B10R2.193 C1CCC(C1)NC2CC2 34a_100000211070_100000211595 [0,0,0,2,0,0|2,0,0]=4 18483 B10R2.193 C1CCC(C1)NC2CC2 34a_100000212008_100000179811 [0,0,0,2,0,0|2,0,0]=4 18484 B10R2.193 C1CCC(C1)OC2CC2 34a_100000210269_100000211595 [0,0,0,2,0,0|2,0,0]=4 18485 B10R2.193 C1CCC(C1)SC2CC2 62a_100011217020_100000211595 [0,0,0,2,0,0|2,0,0]=4 18486 B10R2.193 C1CCN(C1)CC2CC2 2230a_100000188435_100000742324 [0,0,0,2,0,0|2,0,0]=4 18487 B10R2.193 C1CCN(C1)CC2CC2 269982a_100000188435_100000756562 [0,0,0,2,0,0|2,0,0]=4 18488 B10R2.193 C1CCN(C1)CC2CO2 2230a_100000188435_100011216344 [0,0,0,2,0,0|1,0,0]=3 18489 B10R2.193 C1CCN(C1)CC2CO2 269982a_100000188435_102125554688 [0,0,0,2,0,0|1,0,0]=3 18490 B10R2.193 C1CCN(C1)CC2CS2 269982a_100000188435_100000031435 [0,0,0,2,0,0|1,1,0]=4 18491 B10R2.193 C1CCN(C1)C[C@@H]2CO2 269982a_100000188435_100000745022 [0,0,0,2,0,0|1,0,0]=3 18492 B10R2.193 C1CN(CS1)CC2CO2 2230a_100011215254_100011216344 [0,0,0,2,0,0|2,0,0]=4 18493 B10R2.193 C1CN(CS1)CC2CO2 269982a_100011215254_102125554688 [0,0,0,2,0,0|2,0,0]=4 18494 B10R2.193 C1CN(CS1)C[C@@H]2CO2 269982a_100011215254_100000745022 [0,0,0,2,0,0|2,0,0]=4 18495 B10R2.75 CC1CC1COC2CC2 34a_100000744939_100000211595 [0,0,0,2,0,0|2,0,0]=4 18496 B10R2.75 F[C@@H]1C[C@H]1NCC2CC2 2230a_100025746932_100000742324 [0,0,0,2,0,0|2,0,0]=4 18497 B10R2.75 F[C@@H]1C[C@H]1NCC2CC2 34a_100025746932_100000742324 [0,0,0,2,0,0|2,0,0]=4 18498 B10R2.75 F[C@@H]1C[C@H]1NCC2CO2 2230a_100025746932_100011216344 [0,0,0,2,0,0|2,0,0]=4 18499 B10R2.75 F[C@@H]1C[C@H]1NCC2CO2 34a_100025746932_102125554688 [0,0,0,2,0,0|2,0,0]=4 18500 B10R2.75 F[C@H]1C[C@H]1NCC2CC2 2230a_100015190264_100000742324 [0,0,0,2,0,0|2,0,0]=4 18501 B10R2.75 F[C@H]1C[C@H]1NCC2CO2 2230a_100015190264_100011216344 [0,0,0,2,0,0|2,0,0]=4 18502 B10R2.230 F[C@@H]1C[C@H]1NC2CCC2 34a_100025746932_100000749161 [0,0,0,2,0,0|2,0,0]=4 18503 B10R2.8 CCN1CCCC12CC2 2230a_100020620911_100000210202 [0,0,0,2,0,0|2,0,0]=4 18504 B10R2.8 CCN1CCCC12CC2 269982a_100020620911_100000204670 [0,0,0,2,0,0|2,0,0]=4 18505 B10R2.8 CCN1CCCC12CC2 34a_100020620911_100000210202 [0,0,0,2,0,0|2,0,0]=4 18506 B10R2.8 CNC1CCCC12CC2 269862a_106832991636_100009881796 [0,0,0,2,0,0|2,0,0]=4 18507 B10R2.21 CN1CCCC1C2CC2 2230a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 18508 B10R2.21 CN1CCCC1C2CC2 269982a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 18509 B10R2.21 CN1CCCC1C2CC2 34a_200000757794_200000210301 [0,0,0,2,0,0|2,0,0]=4 18510 B10R2.21 C[C@@H]1CCCN1C2CC2 269982a_100015189458_100000211595 [0,0,0,2,0,0|2,0,0]=4 18511 B10R2.21 C[C@@H]1CCCN1C2CC2 34a_100015189458_100000211595 [0,0,0,2,0,0|2,0,0]=4 18512 B10R2.21 C[C@H]1CCCN1C2CC2 269982a_100020605311_100000211595 [0,0,0,2,0,0|2,0,0]=4 18513 B10R2.21 [13CH3]N1CCCC1C2CC2 2230a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 18514 B10R2.21 [13CH3]N1CCCC1C2CC2 269982a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 18515 B10R2.21 [13CH3]N1CCCC1C2CC2 34a_200000757794_200025704644 [0,0,0,2,0,0|2,0,0]=4 18516 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|0,0,2]=4 18517 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|0,0,2]=4 18518 B10R2.27 CC1CCN1CC2CC2 269982a_100000755817_100000756562 [0,0,0,2,0,0|2,0,0]=4 18519 B10R2.27 CC1CCN1CC2CC2 34a_100000755817_100000742324 [0,0,0,2,0,0|2,0,0]=4 18520 B10R2.27 CC1CCN1CC2CO2 269982a_100000755817_102125554688 [0,0,0,2,0,0|1,0,0]=3 18521 B10R2.27 CC1CCN1CC2CO2 34a_100000755817_102125554688 [0,0,0,2,0,0|1,0,0]=3 18522 B10R2.27 CC1CCN1CC2CS2 269982a_100000755817_100000031435 [0,0,0,2,0,0|1,1,0]=4 18523 B10R2.27 CC1CCN1C[C@@H]2CO2 269982a_100000755817_100000745022 [0,0,0,2,0,0|1,0,0]=3 18524 B10R2.410 C(CC1CC1)NC2CC2 34a_100000212008_100000694398 [0,0,0,2,0,0|2,0,0]=4 18525 B10R2.410 C(CC1CC1)NC2CC2 34a_100000764129_100000211595 [0,0,0,2,0,0|2,0,0]=4 18526 B10R2.410 C(CC1CC1)OC2CC2 34a_100000754188_100000211595 [0,0,0,2,0,0|2,0,0]=4 18527 B10R2.410 C(CC1CC1)SC2CC2 62a_100000764125_100000211595 [0,0,0,2,0,0|2,0,0]=4 18528 B10R2.410 C(CC1CO1)NC2CC2 34a_100000212008_100000732470 [0,0,0,2,0,0|1,0,0]=3 18529 B10R2.410 C(CC1CO1)SC2CC2 62a_100000732470_100000211595 [0,0,0,2,0,0|1,0,0]=3 18530 B10R2.410 C(C[C@@H]1CO1)OC2CC2 34a_100009820653_100000211595 [0,0,0,2,0,0|1,0,0]=3 18531 B10R2.410 C(OC[C@@H]1CO1)C2CO2 34a_100000757423_102125554688 [0,0,0,2,0,0|2,0,0]=4 18532 B10R2.410 C(SC[C@@H]1CO1)C2CS2 62a_100000031435_100000745022 [0,0,0,2,0,0|2,0,0]=4 18533 B10R2.410 C(SC[C@@H]1CO1)C2CS2 62a_100000745022_100000031435 [0,0,0,2,0,0|2,0,0]=4 18534 B10R2.410 C1CC1CNCC2CC2 2230a_100000735609_100000742324 [0,0,0,2,0,0|2,0,0]=4 18535 B10R2.410 C1CC1CNCC2CC2 34a_100000735609_100000742324 [0,0,0,2,0,0|2,0,0]=4 18536 B10R2.410 C1CC1CNCC2CO2 2230a_100000735609_100011216344 [0,0,0,2,0,0|1,0,0]=3 18537 B10R2.410 C1CC1CNCC2CO2 34a_100000735609_102125554688 [0,0,0,2,0,0|1,0,0]=3 18538 B10R2.410 C1CC1COCC2CC2 34a_100000211283_100000742324 [0,0,0,2,0,0|2,0,0]=4 18539 B10R2.410 C1CC1COCC2CO2 34a_100000211283_102125554688 [0,0,0,2,0,0|1,0,0]=3 18540 B10R2.410 C1CC1COC[C@@H]2CO2 34a_100000757423_100000742324 [0,0,0,2,0,0|1,0,0]=3 18541 B10R2.410 C1CC1CSCC2CC2 62a_100000756562_100000742324 [0,0,0,2,0,0|2,0,0]=4 18542 B10R2.410 C1CC1CSCC2CO2 62a_100000756562_102125554688 [0,0,0,2,0,0|1,0,0]=3 18543 B10R2.410 C1CC1CSCC2CO2 62a_102125554688_100000742324 [0,0,0,2,0,0|1,0,0]=3 18544 B10R2.410 C1CC1CSCC2CS2 62a_100000031435_100000742324 [0,0,0,2,0,0|1,1,0]=4 18545 B10R2.410 C1CC1CSCC2CS2 62a_100000756562_100000031435 [0,0,0,2,0,0|1,1,0]=4 18546 B10R2.410 C1CC1CSC[C@@H]2CO2 62a_100000745022_100000742324 [0,0,0,2,0,0|1,0,0]=3 18547 B10R2.410 C1CC1CSC[C@@H]2CO2 62a_100000756562_100000745022 [0,0,0,2,0,0|1,0,0]=3 18548 B10R2.410 C1OC1CSCC2CO2 62a_102125554688_102125554688 [0,0,0,2,0,0|2,0,0]=4 18549 B10R2.410 C1OC1CSCC2CS2 62a_100000031435_102125554688 [0,0,0,2,0,0|2,0,0]=4 18550 B10R2.410 C1OC1CSCC2CS2 62a_102125554688_100000031435 [0,0,0,2,0,0|2,0,0]=4 18551 B10R2.410 C1OC1CSC[C@@H]2CO2 62a_100000745022_102125554688 [0,0,0,2,0,0|2,0,0]=4 18552 B10R2.410 C1OC1CSC[C@@H]2CO2 62a_102125554688_100000745022 [0,0,0,2,0,0|2,0,0]=4 18553 B10R2.410 C1O[C@@H]1CSC[C@@H]2CO2 62a_100000745022_100000745022 [0,0,0,2,0,0|2,0,0]=4 18554 B10R2.411 C1CC(C1)CNC2CC2 34a_100000212008_100000763275 [0,0,0,2,0,0|2,0,0]=4 18555 B10R2.411 C1CC(C1)CNC2CC2 34a_100000738700_100000211595 [0,0,0,2,0,0|2,0,0]=4 18556 B10R2.411 C1CC(C1)COC2CC2 34a_100000760304_100000211595 [0,0,0,2,0,0|2,0,0]=4 18557 B10R2.411 C1CC(C1)CSC2CC2 62a_100000763275_100000211595 [0,0,0,2,0,0|2,0,0]=4 18558 B10R2.411 C1CC(C1)NCC2CC2 2230a_100000749019_100000742324 [0,0,0,2,0,0|2,0,0]=4 18559 B10R2.411 C1CC(C1)NCC2CC2 269862a_100000749019_100000741477 [0,0,0,2,0,0|2,0,0]=4 18560 B10R2.411 C1CC(C1)NCC2CC2 270004a_100000735609_100000241760 [0,0,0,2,0,0|2,0,0]=4 18561 B10R2.411 C1CC(C1)NCC2CC2 34a_100000735609_100000749161 [0,0,0,2,0,0|2,0,0]=4 18562 B10R2.411 C1CC(C1)NCC2CC2 34a_100000749019_100000742324 [0,0,0,2,0,0|2,0,0]=4 18563 B10R2.411 C1CC(C1)NCC2CO2 2230a_100000749019_100011216344 [0,0,0,2,0,0|1,0,0]=3 18564 B10R2.411 C1CC(C1)NCC2CO2 34a_100000749019_102125554688 [0,0,0,2,0,0|1,0,0]=3 18565 B10R2.411 C1CC(C1)OCC2CC2 34a_100000211283_100000749161 [0,0,0,2,0,0|2,0,0]=4 18566 B10R2.411 C1CC(C1)OCC2CC2 34a_100000748187_100000742324 [0,0,0,2,0,0|2,0,0]=4 18567 B10R2.411 C1CC(C1)OCC2CO2 34a_100000748187_102125554688 [0,0,0,2,0,0|1,0,0]=3 18568 B10R2.411 C1CC(C1)OC[C@@H]2CO2 34a_100000757423_100000749161 [0,0,0,2,0,0|1,0,0]=3 18569 B10R2.411 C1CC(C1)SCC2CC2 62a_100000756562_100000749161 [0,0,0,2,0,0|2,0,0]=4 18570 B10R2.411 C1CC(C1)SCC2CO2 62a_102125554688_100000749161 [0,0,0,2,0,0|1,0,0]=3 18571 B10R2.411 C1CC(C1)SCC2CS2 62a_100000031435_100000749161 [0,0,0,2,0,0|1,1,0]=4 18572 B10R2.411 C1CC(C1)SC[C@@H]2CO2 62a_100000745022_100000749161 [0,0,0,2,0,0|1,0,0]=3 18573 B10R2.411 C1CN(C1)CCC2CC2 269982a_100000754969_100000694398 [0,0,0,2,0,0|2,0,0]=4 18574 B10R2.411 C1CN(C1)CCC2CO2 269982a_100000754969_100000732470 [0,0,0,2,0,0|1,0,0]=3 18575 B10R2.411 C1OC1COC2CSC2 7a_100000072292_102125554688 [0,0,0,2,0,0|2,0,0]=4 18576 B10R2.411 C1OC1CSC2COC2 62a_102125554688_100009818527 [0,0,0,2,0,0|2,0,0]=4 18577 B10R2.411 C1OCC1NCC2CO2 2230a_100016991112_100011216344 [0,0,0,2,0,0|2,0,0]=4 18578 B10R2.411 C1OCC1OCC2CO2 34a_100000757423_100009818527 [0,0,0,2,0,0|2,0,0]=4 18579 B10R2.411 C1OCC1SC[C@@H]2CO2 62a_100000745022_100009818527 [0,0,0,2,0,0|2,0,0]=4 18580 B10R2.411 C1SCC1OC[C@@H]2CO2 7a_100000072292_100000745022 [0,0,0,2,0,0|2,0,0]=4