0 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 C#CCCCCNC(C)C 2230a_100000706060_100000210206 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 C#CCCCCNC(C)C 2230a_100138425928_100010269958 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 C#CCCCCNC(C)C 34a_100000706060_100000210206 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.2 C#CCCCCNC(C)C 34a_100138425928_100010269958 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 C#CCCCCOC(C)C 34a_100000212225_100010269958 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.2 C#CCCCCOC(C)C 34a_100000766709_100000210206 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 C#CCCCCOC(C)C 7a_100000766709_100000210206 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 C#CCCCCSC(C)C 62a_100000210206_100010269958 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.2 C#CCCCCSC(C)C 62a_100010269958_100000210206 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 C#CCCCNCC(C)C 2230a_100000210953_100000731252 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.2 C#CCCCNCC(C)C 270004a_100000718082_100000210432 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.2 C#CCCCNCC(C)C 34a_100000210953_100000695029 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.2 C#CCCCNCC(C)C 34a_100000718082_100000210624 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.2 C#CCCCNCC(C)O 2230a_100000210904_100000731252 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 C#CCCCNCC(C)O 34a_100000210904_100000695029 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 C#CCCCNCC(C)O 34a_100000718082_100011218427 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.2 C#CCCCNC[C@@H](C)O 34a_100000718082_100009817552 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.2 C#CCCCOCC(C)Br 34a_100012180447_100000695029 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.2 C#CCCCOCC(C)C 34a_100000210257_100000695029 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.2 C#CCCCOCC(C)C 34a_100000215630_100000210624 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.2 C#CCCCOCC(C)C 7a_100000215630_100000210760 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.2 C#CCCCOCC(C)F 34a_100015925927_100000695029 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.2 C#CCCCOC[C@@H](C)Cl 34a_100016084084_100000695029 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.2 C#CCCCOC[C@@H](C)N 34a_100000737577_100000695029 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.2 C#CCCCSCC(C)C 62a_100000210624_100011215417 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.2 C#CCCCSCC(C)C 62a_100011215417_100000210760 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [0,0,0,0,0,0|1,0,2]=3 36 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [0,0,0,0,0,0|1,0,2]=3 38 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [0,0,0,0,0,0|1,0,2]=3 39 B9R0.2 C#CCCNCCC(C)C 34a_100000755551_100000210312 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.2 C#CCCNCCC(C)O 2230a_200000755665_100000688953 [0,0,0,0,0,0|1,0,2]=3 41 B9R0.2 C#CCCNCCC(C)O 34a_100000755551_100012276601 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.2 C#CCCOCCC(C)Br 34a_100009893172_100000688953 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.2 C#CCCOCC[C@@H](C)N 34a_100000706166_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.2 C#CCCSCCC(C)C 62a_100000210312_100000688953 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.2 C#CCCSCCC(C)C 62a_100000688953_100000210312 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [0,0,0,0,0,0|1,0,2]=3 51 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.2 C#CCNCCCC(C)C 2230a_200000737386_100000038162 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.2 C#CCNCCCC(C)C 34a_100000212058_100011214892 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.2 C#CCNCCCC(C)C 34a_200000737386_100000184674 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.2 C#CCNCCCC(C)O 34a_100000212058_200000718107 [0,0,0,0,0,0|1,0,2]=3 56 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [0,0,0,0,0,0|1,0,2]=3 60 B9R0.2 C#CCSCCCC(C)C 62a_100000038162_100011214892 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.2 C#CCSCCCC(C)O 62a_100000038162_200000718107 [0,0,0,0,0,0|1,0,2]=3 62 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [0,0,0,0,0,0|1,0,2]=3 64 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [0,0,0,0,0,0|1,0,2]=3 65 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,0,0,0,0,0|1,0,2]=3 70 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [0,0,0,0,0,0|1,0,2]=3 74 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [0,0,0,0,0,0|1,0,2]=3 75 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,0,0,0,0,0|2,0,1]=3 77 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,0,0,0,0,0|2,0,1]=3 78 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,0,0,0,0,0|2,0,1]=3 84 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,0,0,0,0,0|2,0,1]=3 97 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,0,0,0,0,0|2,0,1]=3 98 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,0,0,0,0,0|2,0,1]=3 109 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,0,0,0,0,0|2,0,1]=3 118 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,0,0,0,0,0|2,0,1]=3 119 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,0,0,0,0,0|2,0,1]=3 120 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,0,0,0,0,0|3,0,1]=4 139 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,0,0,0,0,0|2,0,1]=3 140 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,0,0,0,0,0|2,0,1]=3 141 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,0,0,0,0,0|3,0,1]=4 148 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,0,0,0,0,0|2,0,2]=4 154 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,0,0,0,0,0|2,0,2]=4 157 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,0,0,0,0|0,0,4]=4 158 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,0,0,0,0|0,0,4]=4 159 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,0,0,0,0|0,0,4]=4 160 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,0,0,0,0,0|2,0,2]=4 167 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,0,0,0,0,0|2,0,2]=4 169 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,0,0,0,0,0|2,0,2]=4 171 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,0,0,0,0,0|2,0,2]=4 172 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,0,0,0,0,0|2,0,2]=4 174 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,0,0,0,0,0|2,0,2]=4 175 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,0,0,0,0,0|2,0,2]=4 176 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,0,0,0,0,0|1,0,2]=3 177 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,0,0,0,0,0|1,0,2]=3 178 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,0,0,0,0,0|1,0,2]=3 179 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,0,0,0,0,0|1,0,2]=3 180 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,0,0,0,0,0|1,0,2]=3 181 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,0,0,0,0,0|1,0,2]=3 182 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,0,0,0,0,0|2,0,2]=4 183 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,0,0,0,0,0|2,0,2]=4 184 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,0,0,0,0,0|1,0,2]=3 188 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,0,0,0,0,0|1,0,2]=3 189 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,0,0,0,0,0|1,0,2]=3 192 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,0,0,0,0,0|1,0,2]=3 193 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,0,0,0,0,0|2,0,2]=4 194 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,0,0,0,0,0|1,0,2]=3 196 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,0,0,0,0,0|1,0,2]=3 197 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,0,0,0,0,0|1,0,2]=3 198 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,0,0,0,0,0|1,0,2]=3 199 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,0,0,0,0,0|2,0,2]=4 201 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,0,0,0,0,0|1,0,2]=3 202 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,0,0,0,0,0|1,0,2]=3 203 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,0,0,0,0,0|1,0,2]=3 208 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,0,0,0,0,0|1,0,2]=3 212 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,0,0,0,0,0|1,0,2]=3 213 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,0,0,0,0,0|2,0,2]=4 215 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,0,0,0,0,0|1,0,2]=3 217 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,0,0,0,0,0|2,0,2]=4 218 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,0,0,0,0,0|2,0,2]=4 219 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,0,0,0,0,0|1,0,2]=3 221 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,0,0,0,0,0|2,0,2]=4 222 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,0,0,0,0,0|1,0,2]=3 224 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,0,0,0,0,0|1,0,2]=3 225 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,0,0,0,0,0|2,0,2]=4 228 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,0,0,0,0,0|2,0,2]=4 229 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,0,0,0,0,0|2,0,2]=4 230 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,0,0,0,0,0|2,0,2]=4 233 B9R0.2 CC#CCCOCC(C)C 34a_100000750427_100000210624 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [0,0,0,0,0,0|1,0,2]=3 235 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [0,0,0,0,0,0|1,0,2]=3 236 B9R0.2 CC#CCNCCC(C)C 2230a_100000685387_100000210312 [0,0,0,0,0,0|2,0,2]=4 237 B9R0.2 CC#CCNCCC(C)C 34a_100000685387_100000210312 [0,0,0,0,0,0|2,0,2]=4 238 B9R0.2 CC#CCNCCC(C)O 2230a_100000685387_100012276601 [0,0,0,0,0,0|1,0,2]=3 239 B9R0.2 CC#CCNCCC(C)O 2230a_200000755665_100000748600 [0,0,0,0,0,0|1,0,2]=3 240 B9R0.2 CC#CCNCCC(C)O 34a_100000685387_100012276601 [0,0,0,0,0,0|1,0,2]=3 241 B9R0.2 CC#CCOCCC(C)Br 34a_100009893172_100000748600 [0,0,0,0,0,0|2,0,2]=4 242 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [0,0,0,0,0,0|2,0,2]=4 243 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [0,0,0,0,0,0|2,0,2]=4 244 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [0,0,0,0,0,0|2,0,2]=4 245 B9R0.2 CC#CCOCCC(C)O 34a_100000761923_100012276601 [0,0,0,0,0,0|1,0,2]=3 246 B9R0.2 CC#CCOCC[C@@H](C)N 34a_100000706166_100000748600 [0,0,0,0,0,0|2,0,2]=4 247 B9R0.2 CC#CCSCCC(C)C 62a_100000210312_100000748600 [0,0,0,0,0,0|2,0,2]=4 248 B9R0.2 CC#CCSCCC(C)C 62a_100000748600_100000210312 [0,0,0,0,0,0|2,0,2]=4 249 B9R0.2 CC#CCSCCC(C)O 62a_100000748600_100012276601 [0,0,0,0,0,0|1,0,2]=3 250 B9R0.2 CC#CCSCCC(C)O 62a_100012276601_100000748600 [0,0,0,0,0,0|1,0,2]=3 251 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,0,0,0,0|1,0,3]=4 252 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|1,0,2]=3 253 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|1,0,2]=3 254 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|1,0,2]=3 255 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,0,0,0,0|2,0,2]=4 256 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,0,0,0,0|2,0,2]=4 257 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,0,0,0,0|2,0,2]=4 258 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,0,0,0,0|2,0,2]=4 259 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,0,0,0,0|2,0,2]=4 260 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,0,0,0,0|2,0,2]=4 261 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,0,0,0,0|2,0,2]=4 262 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,0,0,0,0|2,0,2]=4 263 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,0,0,0,0|2,0,2]=4 264 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,0,0,0,0|2,0,2]=4 265 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,0,0,0,0|2,0,2]=4 266 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,0,0,0,0|2,0,2]=4 267 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,0,0,0,0|2,0,2]=4 268 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,0,0,0,0|2,0,2]=4 269 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,0,0,0,0|2,0,2]=4 270 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,0,0,0,0|2,0,2]=4 271 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,0,0,0,0|2,0,2]=4 272 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,0,0,0,0|2,0,2]=4 273 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,0,0,0,0|2,0,2]=4 274 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,0,0,0,0|2,0,2]=4 275 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,0,0,0,0|2,0,2]=4 276 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,0,0,0,0|2,0,2]=4 277 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,0,0,0,0|2,0,2]=4 278 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,0,0,0,0|2,0,2]=4 279 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,0,0,0,0|2,0,2]=4 280 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,0,0,0,0|2,0,2]=4 281 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,0,0,0,0|2,0,2]=4 282 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|2,0,2]=4 283 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|2,0,2]=4 284 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|2,0,2]=4 285 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|2,0,2]=4 286 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,0,0,0,0|2,0,2]=4 287 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,0,0,0,0|2,0,2]=4 288 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [0,0,0,0,0,0|3,0,0]=3 289 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,0,0,0,0,0|3,0,0]=3 290 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [0,0,0,0,0,0|3,0,0]=3 291 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,0,0,0,0,0|3,0,0]=3 292 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,0,0,0,0,0|2,0,0]=2 293 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,0,0,0,0,0|2,0,0]=2 294 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,0,0,0,0,0|2,0,0]=2 295 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,0,0,0,0,0|2,0,0]=2 296 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,0,0,0,0,0|2,0,0]=2 297 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,0,0,0,0,0|2,0,0]=2 298 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,0,0,0,0,0|3,0,0]=3 299 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,0,0,0,0,0|3,0,0]=3 300 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,0,0,0,0,0|3,0,0]=3 301 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,0,0,0,0,0|3,0,0]=3 302 B9R0.2 CC(C)CCCNCC#N 2230a_200000737386_100011215382 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,0,0,0,0,0|3,0,1]=4 304 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,0,0,0,0,0|3,0,0]=3 306 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,0,0,0,0,0|3,0,0]=3 307 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,0,0,0,0,0|3,0,0]=3 308 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,0,0,0,0,0|3,0,0]=3 309 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,0,0,0,0,0|3,0,0]=3 310 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,0,0,0,0,0|3,0,0]=3 311 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,0,0,0,0,0|3,0,0]=3 312 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [0,0,0,0,0,0|3,0,1]=4 313 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,0,0,0,0,0|3,0,1]=4 314 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,0,0,0,0,0|3,0,1]=4 315 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,0,0,0,0,0|3,0,0]=3 316 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,0,0,0,0,0|3,0,0]=3 317 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,0,0,0,0,0|3,0,0]=3 318 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,0,0,0,0,0|3,0,0]=3 319 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,0,0,0,0,0|3,0,0]=3 320 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,0,0,0,0,0|3,0,0]=3 321 B9R0.2 CC(C)CCCSCC#N 62a_100011214892_100011215382 [0,0,0,0,0,0|3,0,1]=4 322 B9R0.2 CC(C)CCCSCC#N 62a_100011215382_100011214892 [0,0,0,0,0,0|3,0,1]=4 323 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,0,0,0,0,0|3,0,1]=4 324 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,0,0,0,0,0|3,0,1]=4 325 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,0,0,0,0,0|3,0,0]=3 326 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,0,0,0,0,0|3,0,0]=3 327 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,0,0,0,0,0|3,0,0]=3 328 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,0,0,0,0,0|3,0,0]=3 329 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [0,0,0,0,0,0|3,0,0]=3 330 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [0,0,0,0,0,0|3,0,0]=3 331 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [0,0,0,0,0,0|3,0,0]=3 332 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,0,0,0,0,0|3,0,0]=3 333 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,0,0,0,0,0|3,0,1]=4 334 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,0,0,0,0,0|3,0,0]=3 335 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,0,0,0,0,0|3,0,0]=3 336 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,0,0,0,0,0|3,0,0]=3 337 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,0,0,0,0,0|3,0,0]=3 338 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,0,0,0,0,0|3,0,0]=3 339 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,0,0,0,0,0|3,0,0]=3 340 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,0,0,0,0,0|3,0,0]=3 341 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,0,0,0,0,0|3,0,0]=3 342 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,0,0,0,0,0|4,0,0]=4 343 B9R0.2 CC(C)CCSCCC#N 62a_100000210312_100011215226 [0,0,0,0,0,0|3,0,1]=4 344 B9R0.2 CC(C)CCSCCC#N 62a_100011215226_100000210312 [0,0,0,0,0,0|3,0,1]=4 345 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [0,0,0,0,0,0|3,0,0]=3 346 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [0,0,0,0,0,0|3,0,0]=3 347 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,0,0,0,0,0|3,0,0]=3 348 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,0,0,0,0,0|3,0,0]=3 349 B9R0.2 CC(C)CNCCCC#N 2230a_100000210953_100000687738 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [0,0,0,0,0,0|3,0,0]=3 352 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [0,0,0,0,0,0|3,0,0]=3 353 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,0,0,0,0,0|3,0,0]=3 354 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,0,0,0,0,0|3,0,0]=3 355 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,0,0,0,0,0|3,0,0]=3 356 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,0,0,0,0,0|3,0,0]=3 357 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,0,0,0,0,0|3,0,0]=3 358 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [0,0,0,0,0,0|4,0,0]=4 359 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [0,0,0,0,0,0|3,0,0]=3 360 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [0,0,0,0,0,0|3,0,0]=3 361 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [0,0,0,0,0,0|3,0,0]=3 362 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [0,0,0,0,0,0|3,0,0]=3 363 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [0,0,0,0,0,0|3,0,0]=3 364 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [0,0,0,0,0,0|3,0,0]=3 365 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [0,0,0,0,0,0|3,0,0]=3 366 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [0,0,0,0,0,0|3,0,0]=3 367 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,0,0,0,0,0|3,0,0]=3 368 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [0,0,0,0,0,0|3,0,0]=3 369 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [0,0,0,0,0,0|3,0,0]=3 370 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [0,0,0,0,0,0|4,0,0]=4 371 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [0,0,0,0,0,0|4,0,0]=4 372 B9R0.2 CC(C)CSCCCC#N 62a_100000210624_100000687738 [0,0,0,0,0,0|3,0,1]=4 373 B9R0.2 CC(C)CSCCCC#N 62a_100000687738_100000210760 [0,0,0,0,0,0|3,0,1]=4 374 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,0,0,0,0,0|3,0,1]=4 375 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,0,0,0,0,0|3,0,1]=4 376 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [0,0,0,0,0,0|3,0,0]=3 377 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [0,0,0,0,0,0|3,0,0]=3 378 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,0,0,0,0,0|3,0,0]=3 379 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,0,0,0,0,0|3,0,0]=3 380 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,0,0,0,0,0|4,0,0]=4 381 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,0,0,0,0,0|4,0,0]=4 382 B9R0.2 CC(C)NCCCCC#N 2230a_100138425928_100000211819 [0,0,0,0,0,0|3,0,1]=4 383 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,0,0,0,0,0|3,0,1]=4 384 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [0,0,0,0,0,0|3,0,0]=3 385 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [0,0,0,0,0,0|3,0,0]=3 386 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,0,0,0,0,0|3,0,0]=3 387 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,0,0,0,0,0|3,0,0]=3 388 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,0,0,0,0,0|3,0,0]=3 389 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,0,0,0,0,0|3,0,0]=3 390 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [0,0,0,0,0,0|3,0,0]=3 391 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [0,0,0,0,0,0|4,0,0]=4 392 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [0,0,0,0,0,0|4,0,0]=4 393 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,0,0,0,0,0|4,0,0]=4 394 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,0,0,0,0,0|4,0,0]=4 395 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,0,0,0,0,0|4,0,0]=4 396 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,0,0,0,0,0|4,0,0]=4 397 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,0,0,0,0,0|4,0,0]=4 398 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,0,0,0,0,0|4,0,0]=4 399 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [0,0,0,0,0,0|3,0,0]=3 400 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [0,0,0,0,0,0|3,0,0]=3 401 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [0,0,0,0,0,0|3,0,0]=3 402 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [0,0,0,0,0,0|3,0,0]=3 403 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [0,0,0,0,0,0|3,0,0]=3 404 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [0,0,0,0,0,0|3,0,0]=3 405 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [0,0,0,0,0,0|3,0,0]=3 406 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [0,0,0,0,0,0|3,0,0]=3 407 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,0,0,0,0,0|3,0,0]=3 408 B9R0.2 CC(C)OCCCNCF 34a_100000737246_100015361967 [0,0,0,0,0,0|4,0,0]=4 409 B9R0.2 CC(C)OCCNCCF 2230a_100000701111_100011217306 [0,0,0,0,0,0|4,0,0]=4 410 B9R0.2 CC(C)OCCNCCF 34a_100000701111_100011217306 [0,0,0,0,0,0|4,0,0]=4 411 B9R0.2 CC(C)OCCNCCF 34a_100000724931_100000211751 [0,0,0,0,0,0|4,0,0]=4 412 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [0,0,0,0,0,0|4,0,0]=4 413 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [0,0,0,0,0,0|4,0,0]=4 414 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [0,0,0,0,0,0|4,0,0]=4 415 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [0,0,0,0,0,0|4,0,0]=4 416 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [0,0,0,0,0,0|4,0,0]=4 417 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [0,0,0,0,0,0|4,0,0]=4 418 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [0,0,0,0,0,0|4,0,0]=4 419 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [0,0,0,0,0,0|4,0,0]=4 420 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [0,0,0,0,0,0|4,0,0]=4 421 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [0,0,0,0,0,0|4,0,0]=4 422 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [0,0,0,0,0,0|4,0,0]=4 423 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [0,0,0,0,0,0|4,0,0]=4 424 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [0,0,0,0,0,0|4,0,0]=4 425 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [0,0,0,0,0,0|4,0,0]=4 426 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [0,0,0,0,0,0|4,0,0]=4 427 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [0,0,0,0,0,0|4,0,0]=4 428 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [0,0,0,0,0,0|4,0,0]=4 429 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,0,0,0,0,0|4,0,0]=4 430 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,0,0,0,0,0|4,0,0]=4 431 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,0,0,0,0,0|4,0,0]=4 432 B9R0.2 CC(C)OCCSCCF 62a_100000211751_100011217306 [0,0,0,0,0,0|4,0,0]=4 433 B9R0.2 CC(C)OCCSCCF 62a_100011217306_100000211751 [0,0,0,0,0,0|4,0,0]=4 434 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,0,0,0,0,0|4,0,0]=4 435 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,0,0,0,0,0|4,0,0]=4 436 B9R0.2 CC(C)OCNCCCF 2230a_100015189416_100000709892 [0,0,0,0,0,0|4,0,0]=4 437 B9R0.2 CC(C)OCNCCCF 34a_100015189416_100000709892 [0,0,0,0,0,0|4,0,0]=4 438 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [0,0,0,0,0,0|4,0,0]=4 439 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [0,0,0,0,0,0|4,0,0]=4 440 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [0,0,0,0,0,0|4,0,0]=4 441 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [0,0,0,0,0,0|4,0,0]=4 442 B9R0.2 CC(C)OCSCCCF 62a_100000709892_100011934791 [0,0,0,0,0,0|4,0,0]=4 443 B9R0.2 CC(C)OCSCCCF 62a_100011934791_100000709892 [0,0,0,0,0,0|4,0,0]=4 444 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [0,0,0,0,0,0|4,0,0]=4 445 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [0,0,0,0,0,0|4,0,0]=4 446 B9R0.2 CC(C)SCCCCC#N 62a_100000210206_100000211819 [0,0,0,0,0,0|3,0,1]=4 447 B9R0.2 CC(C)SCCCCC#N 62a_100011219923_100000210206 [0,0,0,0,0,0|3,0,1]=4 448 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,0,0,0,0,0|3,0,1]=4 449 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,0,0,0,0,0|3,0,1]=4 450 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [0,0,0,0,0,0|3,0,0]=3 451 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [0,0,0,0,0,0|3,0,0]=3 452 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,0,0,0,0,0|3,0,0]=3 453 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,0,0,0,0,0|3,0,0]=3 454 B9R0.2 CC(C)SCCNCCF 2230a_100000731138_100011217306 [0,0,0,0,0,0|4,0,0]=4 455 B9R0.2 CC(C)SCCNCCF 34a_100000724931_100000730970 [0,0,0,0,0,0|4,0,0]=4 456 B9R0.2 CC(C)SCCNCCF 34a_100000731138_100011217306 [0,0,0,0,0,0|4,0,0]=4 457 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [0,0,0,0,0,0|4,0,0]=4 458 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [0,0,0,0,0,0|4,0,0]=4 459 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [0,0,0,0,0,0|4,0,0]=4 460 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [0,0,0,0,0,0|4,0,0]=4 461 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [0,0,0,0,0,0|4,0,0]=4 462 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [0,0,0,0,0,0|4,0,0]=4 463 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [0,0,0,0,0,0|4,0,0]=4 464 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [0,0,0,0,0,0|4,0,0]=4 465 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,0,0,0,0,0|4,0,0]=4 466 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,0,0,0,0,0|4,0,0]=4 467 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,0,0,0,0,0|4,0,0]=4 468 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,0,0,0,0,0|4,0,0]=4 469 B9R0.2 CC(C)SCCSCCF 62a_100000730970_100011217306 [0,0,0,0,0,0|4,0,0]=4 470 B9R0.2 CC(C)SCCSCCF 62a_100011217306_100000730970 [0,0,0,0,0,0|4,0,0]=4 471 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,0,0,0,0,0|4,0,0]=4 472 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,0,0,0,0,0|4,0,0]=4 473 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [0,0,0,0,0,0|3,0,0]=3 474 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,0,0,0,0,0|3,0,0]=3 475 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,0,0,0,0,0|2,0,0]=2 476 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,0,0,0,0,0|2,0,0]=2 477 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,0,0,0,0,0|2,0,0]=2 478 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,0,0,0,0,0|2,0,0]=2 479 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,0,0,0,0,0|2,0,0]=2 480 B9R0.2 CC(O)CCCSCC#N 62a_100011215382_200000718107 [0,0,0,0,0,0|2,0,1]=3 481 B9R0.2 CC(O)CCCSCC#N 62a_200000718107_100011215382 [0,0,0,0,0,0|2,0,1]=3 482 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,0,0,0,0,0|2,0,1]=3 483 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,0,0,0,0,0|2,0,1]=3 484 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,0,0,0,0,0|2,0,0]=2 485 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,0,0,0,0,0|2,0,0]=2 486 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,0,0,0,0,0|2,0,0]=2 487 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,0,0,0,0,0|2,0,0]=2 488 B9R0.2 CC(O)CCNCCC#N 2230a_200000755665_100011215226 [0,0,0,0,0,0|2,0,1]=3 489 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,0,0,0,0,0|2,0,0]=2 490 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,0,0,0,0,0|2,0,0]=2 491 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,0,0,0,0,0|2,0,0]=2 492 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,0,0,0,0,0|2,0,0]=2 493 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,0,0,0,0,0|2,0,0]=2 494 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,0,0,0,0,0|2,0,0]=2 495 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,0,0,0,0,0|2,0,0]=2 496 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,0,0,0,0,0|2,0,0]=2 497 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,0,0,0,0,0|3,0,0]=3 498 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [0,0,0,0,0,0|2,0,1]=3 499 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [0,0,0,0,0,0|2,0,1]=3 500 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,0,0,0,0,0|2,0,0]=2 501 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,0,0,0,0,0|2,0,0]=2 502 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,0,0,0,0,0|2,0,0]=2 503 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,0,0,0,0,0|2,0,0]=2 504 B9R0.2 CC(O)CCSCSC#N 62a_100000211825_100012276601 [0,0,0,0,0,0|3,0,1]=4 505 B9R0.2 CC(O)CCSCSC#N 62a_100012276601_100000211825 [0,0,0,0,0,0|3,0,1]=4 506 B9R0.2 CC(O)CNCC#CCO 2230a_100000210904_200000047223 [0,0,0,0,0,0|2,0,2]=4 507 B9R0.2 CC(O)CNCC#CCO 34a_100000210904_200000047223 [0,0,0,0,0,0|2,0,2]=4 508 B9R0.2 CC(O)CNCCCC#N 2230a_100000210904_100000687738 [0,0,0,0,0,0|2,0,1]=3 509 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,0,0,0,0,0|2,0,1]=3 510 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,0,0,0,0,0|2,0,0]=2 511 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,0,0,0,0,0|2,0,0]=2 512 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,0,0,0,0,0|2,0,0]=2 513 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,0,0,0,0,0|2,0,0]=2 514 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,0,0,0,0,0|2,0,0]=2 515 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,0,0,0,0,0|2,0,0]=2 516 B9R0.2 CC(O)COCC#CCCl 34a_200000047223_100011218427 [0,0,0,0,0,0|2,0,2]=4 517 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,0,0,0,0,0|2,0,0]=2 518 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,0,0,0,0,0|2,0,0]=2 519 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,0,0,0,0,0|2,0,0]=2 520 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,0,0,0,0,0|2,0,0]=2 521 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,0,0,0,0,0|2,0,0]=2 522 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,0,0,0,0,0|2,0,0]=2 523 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,0,0,0,0,0|2,0,0]=2 524 B9R0.2 CC(O)CSCC#CCO 62a_100011218427_200000047223 [0,0,0,0,0,0|2,0,2]=4 525 B9R0.2 CC(O)CSCC#CCO 62a_200000047223_100011218427 [0,0,0,0,0,0|2,0,2]=4 526 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [0,0,0,0,0,0|2,0,1]=3 527 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [0,0,0,0,0,0|2,0,1]=3 528 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,0,0,0,0,0|2,0,1]=3 529 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,0,0,0,0,0|2,0,1]=3 530 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,0,0,0,0,0|2,0,0]=2 531 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,0,0,0,0,0|2,0,0]=2 532 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,0,0,0,0,0|2,0,0]=2 533 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,0,0,0,0,0|2,0,0]=2 534 B9R0.2 CC(O)CSCCSC#N 62a_100000034367_100011218427 [0,0,0,0,0,0|3,0,1]=4 535 B9R0.2 CC(O)CSCCSC#N 62a_100011218427_100000034367 [0,0,0,0,0,0|3,0,1]=4 536 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [0,0,0,0,0,0|2,0,2]=4 537 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [0,0,0,0,0,0|2,0,2]=4 538 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,0,0,0,0,0|2,0,2]=4 539 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,0,0,0,0,0|2,0,2]=4 540 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,0,0,0,0,0|2,0,2]=4 541 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,0,0,0,0,0|2,0,2]=4 542 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,0,0,0,0,0|2,0,2]=4 543 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [0,0,0,0,0,0|2,0,2]=4 544 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [0,0,0,0,0,0|2,0,2]=4 545 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,0,0,0,0,0|1,0,2]=3 546 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,0,0,0,0,0|1,0,2]=3 547 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [0,0,0,0,0,0|2,0,2]=4 548 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [0,0,0,0,0,0|2,0,2]=4 549 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [0,0,0,0,0,0|2,0,2]=4 550 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [0,0,0,0,0,0|2,0,2]=4 551 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,0,0,0,0,0|1,0,2]=3 552 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [0,0,0,0,0,0|2,0,2]=4 553 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [0,0,0,0,0,0|2,0,2]=4 554 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,0,0,0,0,0|1,0,2]=3 555 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,0,0,0,0,0|2,0,2]=4 556 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,0,0,0,0,0|2,0,2]=4 557 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,0,0,0,0,0|1,0,2]=3 558 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,0,0,0,0,0|1,0,2]=3 559 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,0,0,0,0,0|1,0,2]=3 560 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,0,0,0,0,0|1,0,2]=3 561 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,0,0,0,0,0|2,0,2]=4 562 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [0,0,0,0,0,0|1,0,2]=3 563 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,0,0,0,0,0|2,0,2]=4 564 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,0,0,0,0,0|2,0,2]=4 565 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,0,0,0,0,0|2,0,2]=4 566 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,0,0,0,0,0|2,0,2]=4 567 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,0,0,0,0,0|2,0,2]=4 568 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,0,0,0,0,0|2,0,2]=4 569 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [0,0,0,0,0,0|1,0,2]=3 570 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [0,0,0,0,0,0|1,0,2]=3 571 B9R0.2 CCC#CCCOC(C)C 34a_100000036655_100000210206 [0,0,0,0,0,0|2,0,2]=4 572 B9R0.2 CCC#CCCOC(C)C 7a_100000036655_100000210206 [0,0,0,0,0,0|2,0,2]=4 573 B9R0.2 CCC#CCNCC(C)C 2230a_100000210953_100009813939 [0,0,0,0,0,0|2,0,2]=4 574 B9R0.2 CCC#CCNCC(C)C 34a_100000210953_100009813939 [0,0,0,0,0,0|2,0,2]=4 575 B9R0.2 CCC#CCNCC(C)O 2230a_100000210904_100009813939 [0,0,0,0,0,0|1,0,2]=3 576 B9R0.2 CCC#CCNCC(C)O 34a_100000210904_100009813939 [0,0,0,0,0,0|1,0,2]=3 577 B9R0.2 CCC#CCOCC(C)Br 34a_100012180447_100009813939 [0,0,0,0,0,0|2,0,2]=4 578 B9R0.2 CCC#CCOCC(C)C 34a_100000032950_100000210624 [0,0,0,0,0,0|2,0,2]=4 579 B9R0.2 CCC#CCOCC(C)C 34a_100000210257_100009813939 [0,0,0,0,0,0|2,0,2]=4 580 B9R0.2 CCC#CCOCC(C)F 34a_100015925927_100009813939 [0,0,0,0,0,0|2,0,2]=4 581 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [0,0,0,0,0,0|1,0,2]=3 582 B9R0.2 CCC#CCOC[C@@H](C)Cl 34a_100016084084_100009813939 [0,0,0,0,0,0|2,0,2]=4 583 B9R0.2 CCC#CCOC[C@@H](C)N 34a_100000737577_100009813939 [0,0,0,0,0,0|2,0,2]=4 584 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [0,0,0,0,0,0|1,0,2]=3 585 B9R0.2 CCC#CCSCC(C)C 62a_100000210624_100009813939 [0,0,0,0,0,0|2,0,2]=4 586 B9R0.2 CCC#CCSCC(C)C 62a_100009813939_100000210760 [0,0,0,0,0,0|2,0,2]=4 587 B9R0.2 CCC#CCSCC(C)O 62a_100009813939_100011218427 [0,0,0,0,0,0|1,0,2]=3 588 B9R0.2 CCC#CCSCC(C)O 62a_100011218427_100009813939 [0,0,0,0,0,0|1,0,2]=3 589 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009813939_100009817552 [0,0,0,0,0,0|1,0,2]=3 590 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009817552_100009813939 [0,0,0,0,0,0|1,0,2]=3 591 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,0,0,0,0,0|2,0,2]=4 592 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,0,0,0,0,0|2,0,2]=4 593 B9R0.2 CCCC#CCOC(C)C 34a_100000034806_100000210206 [0,0,0,0,0,0|2,0,2]=4 594 B9R0.2 CCCC#CCOC(C)C 7a_100000034806_100000210206 [0,0,0,0,0,0|2,0,2]=4 595 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,0,0,0,0|0,0,4]=4 596 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,0,0,0,0|0,0,4]=4 597 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [0,0,0,0,0,0|2,0,1]=3 598 B9R0.2 CCCCC=NNC(C)C 4a_100000741168_100000210104 [0,0,0,0,0,0|3,0,1]=4 599 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,0,0,0,0|0,0,4]=4 600 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,0,0,0,0|0,0,4]=4 601 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,0,0,0,0|0,0,4]=4 602 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,0,0,0,0|0,0,4]=4 603 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|0,0,2]=2 604 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|0,0,2]=2 605 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|0,0,2]=2 606 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,0,0,0,0,0|2,0,0]=2 607 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,0,0,0,0,0|2,0,0]=2 608 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,0,0,0,0,0|2,0,0]=2 609 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,0,0,0,0,0|2,0,0]=2 610 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,0,0,0,0,0|2,0,0]=2 611 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,0,0,0,0,0|2,0,0]=2 612 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 613 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 614 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 615 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,0,0,0,0|1,0,2]=3 616 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,0,0,0,0,0|2,0,0]=2 617 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,0,0,0,0,0|2,0,0]=2 618 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,0,0,0,0,0|2,0,0]=2 619 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,0,0,0,0,0|2,0,0]=2 620 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,0,0,0,0,0|2,0,0]=2 621 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,0,0,0,0,0|2,0,0]=2 622 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,0,0,0,0,0|2,0,0]=2 623 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,0,0,0,0,0|2,0,0]=2 624 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,0,0,0,0,0|2,0,2]=4 625 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,0,0,0,0,0|2,0,2]=4 626 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,0,0,0,0,0|2,0,1]=3 627 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,0,0,0,0,0|2,0,0]=2 628 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,0,0,0,0,0|2,0,0]=2 629 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,0,0,0,0,0|2,0,0]=2 630 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,0,0,0,0,0|2,0,0]=2 631 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,0,0,0,0,0|1,0,0]=1 632 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,0,0,0,0,0|1,0,0]=1 633 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,0,0,0,0,0|1,0,0]=1 634 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,0,0,0,0,0|3,0,0]=3 635 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,0,0,0,0,0|3,0,0]=3 636 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,0,0,0,0,0|1,0,0]=1 637 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,0,0,0,0|2,0,2]=4 638 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,0,0,0,0|1,0,2]=3 639 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,0,0,0,0,0|2,0,2]=4 640 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,0,0,0,0,0|2,0,2]=4 641 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,0,0,0,0,0|2,0,2]=4 642 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,0,0,0,0,0|2,0,0]=2 643 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,0,0,0,0,0|2,0,0]=2 644 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,0,0,0,0,0|2,0,0]=2 645 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,0,0,0,0,0|2,0,0]=2 646 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,0,0,0,0,0|2,0,0]=2 647 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,0,0,0,0,0|1,0,0]=1 648 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,0,0,0,0,0|1,0,0]=1 649 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,0,0,0,0,0|3,0,0]=3 650 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,0,0,0,0,0|3,0,0]=3 651 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,0,0,0,0,0|3,0,0]=3 652 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,0,0,0,0,0|2,0,0]=2 653 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,0,0,0,0,0|2,0,0]=2 654 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,0,0,0,0,0|1,0,0]=1 655 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,0,0,0,0,0|1,0,0]=1 656 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,0,0,0,0,0|3,0,1]=4 657 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,0,0,0,0,0|2,0,2]=4 658 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,0,0,0,0,0|2,0,2]=4 659 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,0,0,0,0,0|2,0,2]=4 660 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,0,0,0,0,0|2,0,2]=4 661 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,0,0,0,0,0|2,0,0]=2 662 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,0,0,0,0,0|2,0,0]=2 663 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,0,0,0,0,0|1,0,0]=1 664 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,0,0,0,0,0|1,0,0]=1 665 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,0,0,0,0,0|3,0,0]=3 666 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,0,0,0,0,0|3,0,0]=3 667 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,0,0,0,0,0|1,0,0]=1 668 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,0,0,0,0,0|1,0,0]=1 669 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,0,0,0,0,0|3,0,1]=4 670 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,0,0,0,0,0|2,0,2]=4 671 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,0,0,0,0,0|2,0,2]=4 672 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,0,0,0,0,0|2,0,2]=4 673 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,0,0,0,0|1,0,2]=3 674 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,0,0,0,0|2,0,2]=4 675 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,0,0,0,0|2,0,2]=4 676 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,0,0,0,0,0|2,0,0]=2 677 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,0,0,0,0,0|2,0,0]=2 678 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,0,0,0,0,0|2,0,0]=2 679 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,0,0,0,0,0|1,0,0]=1 680 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,0,0,0,0,0|1,0,0]=1 681 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,0,0,0,0,0|1,0,0]=1 682 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,0,0,0,0,0|3,0,0]=3 683 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,0,0,0,0,0|3,0,0]=3 684 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [0,0,0,0,0,0|3,0,1]=4 685 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,0,0,0,0,0|3,0,1]=4 686 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,0,0,0,0,0|2,0,2]=4 687 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,0,0,0,0,0|2,0,2]=4 688 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,0,0,0,0,0|2,0,2]=4 689 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,0,0,0,0|1,0,2]=3 690 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,0,0,0,0|1,0,2]=3 691 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,0,0,0,0|1,0,2]=3 692 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,0,0,0,0|1,0,2]=3 693 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,0,0,0,0|2,0,2]=4 694 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,0,0,0,0|2,0,2]=4 695 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,0,0,0,0|2,0,2]=4 696 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,0,0,0,0|2,0,2]=4 697 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,0,0,0,0,0|2,0,0]=2 698 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,0,0,0,0,0|2,0,0]=2 699 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,0,0,0,0,0|2,0,0]=2 700 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,0,0,0,0,0|2,0,0]=2 701 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,0,0,0,0,0|2,0,0]=2 702 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,0,0,0,0,0|1,0,0]=1 703 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,0,0,0,0,0|1,0,0]=1 704 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,0,0,0,0,0|3,0,0]=3 705 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,0,0,0,0,0|3,0,0]=3 706 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,0,0,0,0,0|3,0,0]=3 707 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,0,0,0,0,0|3,0,0]=3 708 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,0,0,0,0,0|2,0,0]=2 709 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [0,0,0,0,0,0|3,0,0]=3 710 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [0,0,0,0,0,0|3,0,0]=3 711 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|2,0,2]=4 712 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,0,0,0,0,0|3,0,0]=3 713 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,0,0,0,0,0|3,0,0]=3 714 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [0,0,0,0,0,0|3,0,0]=3 715 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [0,0,0,0,0,0|3,0,0]=3 716 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,0,0,0,0,0|2,0,2]=4 717 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,0,0,0,0,0|2,0,2]=4 718 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,0,0,0,0|1,0,2]=3 719 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,0,0,0,0|1,0,2]=3 720 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,0,0,0,0|2,0,2]=4 721 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,0,0,0,0|2,0,2]=4 722 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,0,0,0,0,0|2,0,0]=2 723 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,0,0,0,0,0|2,0,0]=2 724 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,0,0,0,0,0|1,0,0]=1 725 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,0,0,0,0,0|1,0,0]=1 726 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,0,0,0,0,0|3,0,0]=3 727 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|2,0,2]=4 728 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|2,0,2]=4 729 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,0,0,0,0,0|3,0,0]=3 730 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,0,0,0,0,0|3,0,0]=3 731 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,0,0,0,0|2,0,2]=4 732 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,0,0,0,0,0|2,0,0]=2 733 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,0,0,0,0,0|2,0,0]=2 734 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,0,0,0,0|2,0,1]=3 735 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,0,0,0,0|2,0,2]=4 736 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,0,0,0,0,0|3,0,0]=3 737 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,0,0,0,0,0|3,0,0]=3 738 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [0,0,0,0,0,0|3,0,0]=3 739 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [0,0,0,0,0,0|3,0,0]=3 740 B9R0.2 CCCNN=CCC(C)C 4a_100000740057_100000185833 [0,0,0,0,0,0|3,0,1]=4 741 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,0,0,0,0,0|2,0,2]=4 742 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,0,0,0,0|1,0,2]=3 743 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,0,0,0,0|1,0,2]=3 744 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,0,0,0,0|1,0,2]=3 745 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,0,0,0,0|2,0,2]=4 746 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,0,0,0,0,0|2,0,0]=2 747 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,0,0,0,0,0|2,0,0]=2 748 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,0,0,0,0,0|2,0,0]=2 749 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,0,0,0,0,0|1,0,0]=1 750 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,0,0,0,0,0|3,0,1]=4 751 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,0,0,0,0|2,0,2]=4 752 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,0,0,0,0|2,0,2]=4 753 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,0,0,0,0|2,0,2]=4 754 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,0,0,0,0|2,0,2]=4 755 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,0,0,0,0,0|3,0,0]=3 756 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,0,0,0,0,0|3,0,0]=3 757 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,0,0,0,0,0|3,0,0]=3 758 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,0,0,0,0,0|3,0,0]=3 759 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,0,0,0,0,0|3,0,0]=3 760 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|2,0,2]=4 761 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,0,0,0,0,0|3,0,0]=3 762 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,0,0,0,0,0|3,0,0]=3 763 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,0,0,0,0,0|3,0,0]=3 764 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,0,0,0,0,0|3,0,0]=3 765 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,0,0,0,0,0|3,0,0]=3 766 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,0,0,0,0,0|3,0,0]=3 767 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,0,0,0,0,0|3,0,0]=3 768 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,0,0,0,0,0|3,0,0]=3 769 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,0,0,0,0,0|3,0,0]=3 770 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,0,0,0,0,0|3,0,0]=3 771 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,0,0,0,0,0|3,0,0]=3 772 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,0,0,0,0,0|2,0,2]=4 773 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,0,0,0,0,0|2,0,2]=4 774 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,0,0,0,0|1,0,2]=3 775 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,0,0,0,0|1,0,2]=3 776 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,0,0,0,0|2,0,2]=4 777 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,0,0,0,0|2,0,2]=4 778 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,0,0,0,0,0|2,0,0]=2 779 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,0,0,0,0,0|2,0,0]=2 780 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,0,0,0,0,0|1,0,0]=1 781 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,0,0,0,0,0|1,0,0]=1 782 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,0,0,0,0,0|3,0,0]=3 783 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,0,0,0,0|2,0,2]=4 784 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,0,0,0,0|2,0,2]=4 785 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,0,0,0,0|2,0,2]=4 786 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,0,0,0,0|2,0,2]=4 787 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,0,0,0,0|2,0,2]=4 788 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [0,0,0,0,0,0|3,0,0]=3 789 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|2,0,2]=4 790 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|2,0,2]=4 791 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,0,0,0,0,0|3,0,0]=3 792 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,0,0,0,0,0|3,0,0]=3 793 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,0,0,0,0,0|3,0,0]=3 794 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,0,0,0,0,0|3,0,0]=3 795 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [0,0,0,0,0,0|3,0,0]=3 796 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [0,0,0,0,0,0|3,0,0]=3 797 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,0,0,0,0,0|3,0,0]=3 798 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,0,0,0,0|2,0,2]=4 799 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,0,0,0,0,0|2,0,0]=2 800 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,0,0,0,0|2,0,2]=4 801 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,0,0,0,0,0|2,1,1]=4 802 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [0,0,0,0,0,0|3,0,0]=3 803 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [0,0,0,0,0,0|3,0,0]=3 804 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,0,0,0,0|2,0,2]=4 805 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,0,0,0,0,0|3,0,1]=4 806 B9R0.2 CCNCCOCC(F)F 2230a_100015525214_200012177212 [0,0,0,0,0,0|4,0,0]=4 807 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,0,0,0,0,0|3,0,0]=3 808 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|1,0,2]=3 809 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,0,0,0,0|2,0,2]=4 810 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,0,0,0,0|2,0,2]=4 811 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,0,0,0,0,0|2,0,0]=2 812 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,0,0,0,0,0|2,0,0]=2 813 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,0,0,0,0,0|2,0,0]=2 814 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,0,0,0,0,0|3,0,1]=4 815 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,0,0,0,0,0|3,0,1]=4 816 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 817 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 818 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 819 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,0,0,0,0|2,0,2]=4 820 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,0,0,0,0|2,0,2]=4 821 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,0,0,0,0,0|3,0,0]=3 822 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,0,0,0,0,0|3,0,0]=3 823 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,0,0,0,0,0|3,0,0]=3 824 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,0,0,0,0,0|3,0,0]=3 825 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,0,0,0,0,0|3,0,0]=3 826 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|2,0,2]=4 827 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,0,0,0,0,0|2,1,1]=4 828 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,0,0,0,0,0|3,0,0]=3 829 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,0,0,0,0,0|3,0,0]=3 830 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,0,0,0,0,0|3,0,0]=3 831 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,0,0,0,0|2,0,2]=4 832 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,0,0,0,0,0|3,0,0]=3 833 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,0,0,0,0,0|3,0,0]=3 834 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,0,0,0,0,0|3,0,1]=4 835 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,0,0,0,0,0|3,0,0]=3 836 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,0,0,0,0,0|3,0,0]=3 837 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,0,0,0,0,0|3,0,0]=3 838 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,0,0,0,0,0|3,0,0]=3 839 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,0,0,0,0,0|3,0,0]=3 840 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,0,0,0,0,0|3,0,0]=3 841 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,0,0,0,0,0|2,0,0]=2 842 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,0,0,0,0,0|2,0,0]=2 843 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,0,0,0,0,0|2,0,0]=2 844 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,0,0,0,0,0|2,0,0]=2 845 B9R0.2 CCOCCNCC(F)F 2230a_102516460346_100011934356 [0,0,0,0,0,0|4,0,0]=4 846 B9R0.2 CCOCCNCC(F)F 34a_100000765723_100000210147 [0,0,0,0,0,0|4,0,0]=4 847 B9R0.2 CCOCCNCC(F)F 34a_102516460346_100011934356 [0,0,0,0,0,0|4,0,0]=4 848 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,0,0,0,0,0|2,0,0]=2 849 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,0,0,0,0,0|2,0,0]=2 850 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,0,0,0,0|2,0,2]=4 851 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [0,0,0,0,0,0|3,0,0]=3 852 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,0,0,0,0,0|3,0,0]=3 853 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,0,0,0,0,0|3,0,0]=3 854 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,0,0,0,0,0|3,0,0]=3 855 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,0,0,0,0,0|3,0,0]=3 856 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,0,0,0,0,0|3,0,0]=3 857 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [0,0,0,0,0,0|3,0,0]=3 858 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,0,0,0,0,0|2,0,0]=2 859 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,0,0,0,0,0|2,0,0]=2 860 B9R0.2 CCOCCOCC(F)F 34a_100000210136_100011934356 [0,0,0,0,0,0|4,0,0]=4 861 B9R0.2 CCOCCOCC(F)F 34a_100000704375_100000210202 [0,0,0,0,0,0|4,0,0]=4 862 B9R0.2 CCOCCOCC(F)F 34a_100000743014_100000210147 [0,0,0,0,0,0|4,0,0]=4 863 B9R0.2 CCOCCOCC(F)F 34a_100121572206_200012177212 [0,0,0,0,0,0|4,0,0]=4 864 B9R0.2 CCOCCOCC(F)F 7a_100000210136_100011934356 [0,0,0,0,0,0|4,0,0]=4 865 B9R0.2 CCOCCOCC(F)F 7a_100000704375_100000210202 [0,0,0,0,0,0|4,0,0]=4 866 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [0,0,0,0,0,0|3,0,0]=3 867 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [0,0,0,0,0,0|3,0,0]=3 868 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,0,0,0,0,0|2,0,0]=2 869 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,0,0,0,0,0|2,0,0]=2 870 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,0,0,0,0,0|3,0,0]=3 871 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,0,0,0,0,0|3,0,0]=3 872 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,0,0,0,0,0|3,0,0]=3 873 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,0,0,0,0,0|3,0,0]=3 874 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,0,0,0,0,0|2,0,0]=2 875 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,0,0,0,0,0|2,0,0]=2 876 B9R0.2 CCOCCSCC(F)F 62a_100000210147_100011934356 [0,0,0,0,0,0|4,0,0]=4 877 B9R0.2 CCOCCSCC(F)F 62a_100011934356_100011215890 [0,0,0,0,0,0|4,0,0]=4 878 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,0,0,0,0,0|2,0,0]=2 879 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,0,0,0,0,0|2,0,0]=2 880 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,0,0,0,0|2,0,2]=4 881 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,0,0,0,0|2,0,2]=4 882 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,0,0,0,0,0|3,0,0]=3 883 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,0,0,0,0,0|3,0,0]=3 884 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,0,0,0,0,0|2,0,0]=2 885 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,0,0,0,0,0|2,0,0]=2 886 B9R0.2 CCOCSCCN(C)C 62a_100000739092_100000755713 [0,0,0,0,0,0|4,0,0]=4 887 B9R0.2 CCOCSCOC(C)C 62a_100000709892_100000739092 [0,0,0,0,0,0|4,0,0]=4 888 B9R0.2 CCOCSCOC(C)C 62a_100000739092_100000709892 [0,0,0,0,0,0|4,0,0]=4 889 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,0,0,0,0,0|3,0,0]=3 890 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,0,0,0,0,0|3,0,0]=3 891 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|1,0,2]=3 892 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|1,0,2]=3 893 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,0,0,0,0,0|2,0,0]=2 894 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,0,0,0,0,0|2,0,0]=2 895 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,0,0,0,0,0|3,0,0]=3 896 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|2,0,2]=4 897 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|2,0,2]=4 898 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,0,0,0,0,0|2,1,1]=4 899 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,0,0,0,0,0|2,1,1]=4 900 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [0,0,0,0,0,0|3,0,0]=3 901 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [0,0,0,0,0,0|3,0,0]=3 902 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,0,0,0,0|2,0,2]=4 903 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,0,0,0,0|2,0,2]=4 904 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,0,0,0,0,0|3,0,1]=4 905 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [0,0,0,0,0,0|3,0,0]=3 906 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [0,0,0,0,0,0|3,0,0]=3 907 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [0,0,0,0,0,0|3,0,0]=3 908 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [0,0,0,0,0,0|3,0,0]=3 909 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,0,0,0,0,0|2,0,0]=2 910 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,0,0,0,0,0|2,0,0]=2 911 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,0,0,0,0,0|2,0,0]=2 912 B9R0.2 CCSCCNCC(F)F 2230a_100000106463_100011934356 [0,0,0,0,0,0|4,0,0]=4 913 B9R0.2 CCSCCNCC(F)F 34a_100000765723_100000757381 [0,0,0,0,0,0|4,0,0]=4 914 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,0,0,0,0,0|2,0,0]=2 915 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,0,0,0,0|2,0,2]=4 916 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [0,0,0,0,0,0|3,0,0]=3 917 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [0,0,0,0,0,0|3,0,0]=3 918 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [0,0,0,0,0,0|3,0,0]=3 919 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [0,0,0,0,0,0|3,0,0]=3 920 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [0,0,0,0,0,0|3,0,0]=3 921 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,0,0,0,0,0|2,0,0]=2 922 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,0,0,0,0,0|2,0,0]=2 923 B9R0.2 CCSCCOCC(F)F 34a_100000212035_100011934356 [0,0,0,0,0,0|4,0,0]=4 924 B9R0.2 CCSCCOCC(F)F 34a_100000743014_100000757381 [0,0,0,0,0,0|4,0,0]=4 925 B9R0.2 CCSCCOCC(F)F 62a_100000210202_200012177212 [0,0,0,0,0,0|4,0,0]=4 926 B9R0.2 CCSCCOCC(F)F 62a_200012177212_100000210202 [0,0,0,0,0,0|4,0,0]=4 927 B9R0.2 CCSCCOCC(F)F 7a_100000212035_100011934356 [0,0,0,0,0,0|4,0,0]=4 928 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [0,0,0,0,0,0|3,0,0]=3 929 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [0,0,0,0,0,0|3,0,0]=3 930 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,0,0,0,0,0|2,0,0]=2 931 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,0,0,0,0,0|2,0,0]=2 932 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [0,0,0,0,0,0|3,0,0]=3 933 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [0,0,0,0,0,0|3,0,0]=3 934 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,0,0,0,0,0|2,0,0]=2 935 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,0,0,0,0,0|2,0,0]=2 936 B9R0.2 CCSCCSCC(F)F 62a_100000757381_100011934356 [0,0,0,0,0,0|4,0,0]=4 937 B9R0.2 CCSCCSCC(F)F 62a_100011934356_100000757381 [0,0,0,0,0,0|4,0,0]=4 938 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,0,0,0,0,0|2,0,0]=2 939 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,0,0,0,0,0|2,0,0]=2 940 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,0,0,0,0,0|3,0,1]=4 941 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,0,0,0,0,0|3,0,1]=4 942 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,0,0,0,0,0|3,0,1]=4 943 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,0,0,0,0,0|3,0,1]=4 944 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,0,0,0,0,0|3,0,0]=3 945 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,0,0,0,0,0|3,0,0]=3 946 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,0,0,0,0,0|3,0,0]=3 947 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,0,0,0,0,0|3,0,0]=3 948 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [0,0,0,0,0,0|4,0,0]=4 949 B9R0.2 CN(C)CCCSCCF 62a_100011217306_100000757444 [0,0,0,0,0,0|4,0,0]=4 950 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,0,0,0,0,0|4,0,0]=4 951 B9R0.2 CN(C)CCSCCCF 62a_100011934791_100000755713 [0,0,0,0,0,0|4,0,0]=4 952 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [0,0,0,0,0,0|4,0,0]=4 953 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,0,0,0,0,0|3,0,0]=3 954 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,0,0,0,0,0|3,0,0]=3 955 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,0,0,0,0,0|3,0,0]=3 956 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,0,0,0,0,0|2,0,2]=4 957 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,0,0,0,0,0|2,0,2]=4 958 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,0,0,0,0,0|2,0,2]=4 959 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,0,0,0,0,0|2,0,0]=2 960 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,0,0,0,0,0|2,0,0]=2 961 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,0,0,0,0,0|2,0,0]=2 962 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,0,0,0,0,0|2,0,0]=2 963 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,0,0,0,0,0|2,0,0]=2 964 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,0,0,0,0|2,0,2]=4 965 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,0,0,0,0|2,0,2]=4 966 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|2,0,2]=4 967 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|2,0,2]=4 968 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,0,0,0,0|2,0,2]=4 969 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,0,0,0,0|2,0,2]=4 970 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,0,0,0,0|2,0,2]=4 971 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [0,0,0,0,0,0|3,0,0]=3 972 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [0,0,0,0,0,0|3,0,0]=3 973 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [0,0,0,0,0,0|3,0,0]=3 974 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,0,0,0,0,0|2,0,0]=2 975 B9R0.2 CNCCCOCC(F)F 34a_100000213112_100011934356 [0,0,0,0,0,0|4,0,0]=4 976 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,0,0,0,0,0|2,0,0]=2 977 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,0,0,0,0,0|3,0,0]=3 978 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|1,0,2]=3 979 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,0,0,0,0,0|2,0,2]=4 980 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,0,0,0,0,0|2,0,2]=4 981 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,0,0,0,0,0|2,0,2]=4 982 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|1,0,2]=3 983 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,0,0,0,0,0|2,0,2]=4 984 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,0,0,0,0,0|2,0,0]=2 985 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,0,0,0,0,0|2,0,0]=2 986 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,0,0,0,0,0|2,0,0]=2 987 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [0,0,0,0,0,0|3,0,0]=3 988 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [0,0,0,0,0,0|3,0,0]=3 989 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [0,0,0,0,0,0|3,0,0]=3 990 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|2,0,2]=4 991 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|2,0,2]=4 992 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|2,0,2]=4 993 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [0,0,0,0,0,0|3,0,0]=3 994 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [0,0,0,0,0,0|3,0,0]=3 995 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,0,0,0,0|2,0,2]=4 996 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [0,0,0,0,0,0|3,0,0]=3 997 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [0,0,0,0,0,0|3,0,0]=3 998 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,0,0,0,0,0|3,0,1]=4 999 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [0,0,0,0,0,0|3,0,0]=3 1000 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [0,0,0,0,0,0|3,0,0]=3 1001 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [0,0,0,0,0,0|3,0,0]=3 1002 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [0,0,0,0,0,0|3,0,0]=3 1003 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,0,0,0,0,0|2,0,0]=2 1004 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,0,0,0,0,0|2,0,0]=2 1005 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,0,0,0,0,0|2,0,0]=2 1006 B9R0.2 COCCCNCC(F)F 34a_100000765723_100000740836 [0,0,0,0,0,0|4,0,0]=4 1007 B9R0.2 COCCCNCC(F)F 34a_100150723488_100011934356 [0,0,0,0,0,0|4,0,0]=4 1008 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,0,0,0,0,0|2,0,0]=2 1009 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,0,0,0,0,0|2,0,2]=4 1010 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [0,0,0,0,0,0|3,0,0]=3 1011 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [0,0,0,0,0,0|3,0,0]=3 1012 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [0,0,0,0,0,0|3,0,0]=3 1013 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [0,0,0,0,0,0|3,0,0]=3 1014 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,0,0,0,0,0|2,0,0]=2 1015 B9R0.2 COCCCOCC(F)F 34a_100000740835_100011934356 [0,0,0,0,0,0|4,0,0]=4 1016 B9R0.2 COCCCOCC(F)F 34a_100000743014_100000740836 [0,0,0,0,0,0|4,0,0]=4 1017 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [0,0,0,0,0,0|3,0,0]=3 1018 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [0,0,0,0,0,0|3,0,0]=3 1019 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,0,0,0,0,0|2,0,0]=2 1020 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [0,0,0,0,0,0|3,0,0]=3 1021 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [0,0,0,0,0,0|3,0,0]=3 1022 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,0,0,0,0,0|2,0,0]=2 1023 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,0,0,0,0,0|2,0,0]=2 1024 B9R0.2 COCCCSCC(F)F 62a_100000709357_100011934356 [0,0,0,0,0,0|4,0,0]=4 1025 B9R0.2 COCCCSCC(F)F 62a_100011934356_100000709357 [0,0,0,0,0,0|4,0,0]=4 1026 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,0,0,0,0,0|2,0,0]=2 1027 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,0,0,0,0,0|2,0,0]=2 1028 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [0,0,0,0,0,0|3,0,0]=3 1029 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [0,0,0,0,0,0|3,0,0]=3 1030 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,0,0,0,0,0|2,0,0]=2 1031 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,0,0,0,0,0|2,0,0]=2 1032 B9R0.2 COCCNCOC(C)C 2230a_100000209980_100000709892 [0,0,0,0,0,0|4,0,0]=4 1033 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,0,0,0,0,0|2,0,2]=4 1034 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,0,0,0,0,0|2,0,2]=4 1035 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,0,0,0,0,0|2,0,2]=4 1036 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,0,0,0,0,0|2,0,2]=4 1037 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,0,0,0,0,0|2,0,2]=4 1038 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [0,0,0,0,0,0|3,0,0]=3 1039 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,0,0,0,0,0|3,0,0]=3 1040 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,0,0,0,0,0|3,0,0]=3 1041 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,0,0,0,0,0|3,0,0]=3 1042 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,0,0,0,0,0|2,0,0]=2 1043 B9R0.2 COCCOCCC(F)F 34a_100103093639_100011201679 [0,0,0,0,0,0|4,0,0]=4 1044 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [0,0,0,0,0,0|4,0,0]=4 1045 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [0,0,0,0,0,0|4,0,0]=4 1046 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [0,0,0,0,0,0|3,0,0]=3 1047 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [0,0,0,0,0,0|4,0,0]=4 1048 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [0,0,0,0,0,0|4,0,0]=4 1049 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [0,0,0,0,0,0|4,0,0]=4 1050 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [0,0,0,0,0,0|4,0,0]=4 1051 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,0,0,0,0,0|2,0,2]=4 1052 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,0,0,0,0,0|2,0,2]=4 1053 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [0,0,0,0,0,0|3,0,0]=3 1054 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [0,0,0,0,0,0|3,0,0]=3 1055 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,0,0,0,0,0|2,0,0]=2 1056 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,0,0,0,0,0|2,0,0]=2 1057 B9R0.2 COCCSCCN(C)C 62a_100000233755_100000755713 [0,0,0,0,0,0|4,0,0]=4 1058 B9R0.2 COCCSCOC(C)C 62a_100000233755_100000709892 [0,0,0,0,0,0|4,0,0]=4 1059 B9R0.2 COCCSCOC(C)C 62a_100000709892_100000233755 [0,0,0,0,0,0|4,0,0]=4 1060 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [0,0,0,0,0,0|3,0,0]=3 1061 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,0,0,0,0,0|3,0,1]=4 1062 B9R0.2 COCNCCOC(C)C 2230a_100000701111_100000766300 [0,0,0,0,0,0|4,0,0]=4 1063 B9R0.2 COCNCCSC(C)C 2230a_100000731138_100000766300 [0,0,0,0,0,0|4,0,0]=4 1064 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,0,0,0,0|2,0,2]=4 1065 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,0,0,0,0|2,0,2]=4 1066 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [0,0,0,0,0,0|3,0,0]=3 1067 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [0,0,0,0,0,0|3,0,0]=3 1068 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,0,0,0,0,0|2,0,0]=2 1069 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,0,0,0,0,0|2,0,0]=2 1070 B9R0.2 COCSCCCN(C)C 62a_100000766300_100000757444 [0,0,0,0,0,0|4,0,0]=4 1071 B9R0.2 COCSCCOC(C)C 62a_100000211751_100000766300 [0,0,0,0,0,0|4,0,0]=4 1072 B9R0.2 COCSCCOC(C)C 62a_100000766300_100000211751 [0,0,0,0,0,0|4,0,0]=4 1073 B9R0.2 COCSCCSC(C)C 62a_100000730970_100000766300 [0,0,0,0,0,0|4,0,0]=4 1074 B9R0.2 COCSCCSC(C)C 62a_100000766300_100000730970 [0,0,0,0,0,0|4,0,0]=4 1075 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,0,0,0,0,0|3,0,1]=4 1076 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,0,0,0,0,0|3,0,1]=4 1077 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,0,0,0,0,0|3,0,0]=3 1078 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,0,0,0,0,0|3,0,0]=3 1079 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,0,0,0,0,0|2,0,2]=4 1080 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,0,0,0,0,0|2,0,2]=4 1081 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,0,0,0,0,0|2,0,0]=2 1082 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,0,0,0,0,0|2,0,0]=2 1083 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|2,0,2]=4 1084 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|2,0,2]=4 1085 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [0,0,0,0,0,0|3,0,0]=3 1086 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [0,0,0,0,0,0|3,0,0]=3 1087 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,0,0,0,0|2,0,2]=4 1088 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,0,0,0,0|2,0,2]=4 1089 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [0,0,0,0,0,0|3,0,0]=3 1090 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [0,0,0,0,0,0|3,0,0]=3 1091 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,0,0,0,0,0|2,0,0]=2 1092 B9R0.2 CSCCCNCC(F)F 2230a_100000749238_100011934356 [0,0,0,0,0,0|4,0,0]=4 1093 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,0,0,0,0,0|2,0,0]=2 1094 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [0,0,0,0,0,0|3,0,0]=3 1095 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [0,0,0,0,0,0|3,0,0]=3 1096 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,0,0,0,0,0|2,0,0]=2 1097 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,0,0,0,0,0|2,0,0]=2 1098 B9R0.2 CSCCCOCC(F)F 34a_100000690336_100011934356 [0,0,0,0,0,0|4,0,0]=4 1099 B9R0.2 CSCCCOCC(F)F 7a_100000690336_100011934356 [0,0,0,0,0,0|4,0,0]=4 1100 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,0,0,0,0,0|2,0,0]=2 1101 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,0,0,0,0,0|2,0,0]=2 1102 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [0,0,0,0,0,0|3,0,0]=3 1103 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [0,0,0,0,0,0|3,0,0]=3 1104 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,0,0,0,0,0|2,0,0]=2 1105 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,0,0,0,0,0|2,0,0]=2 1106 B9R0.2 CSCCNCOC(C)C 2230a_100020590264_100000709892 [0,0,0,0,0,0|4,0,0]=4 1107 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,0,0,0,0,0|2,0,2]=4 1108 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,0,0,0,0,0|2,0,2]=4 1109 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,0,0,0,0,0|2,0,2]=4 1110 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [0,0,0,0,0,0|3,0,0]=3 1111 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,0,0,0,0,0|3,0,0]=3 1112 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,0,0,0,0,0|3,0,0]=3 1113 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,0,0,0,0,0|3,0,0]=3 1114 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,0,0,0,0,0|3,0,0]=3 1115 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,0,0,0,0,0|2,0,0]=2 1116 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,0,0,0,0,0|2,0,0]=2 1117 B9R0.2 CSCCOCCC(F)F 34a_100103093639_100000212216 [0,0,0,0,0,0|4,0,0]=4 1118 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [0,0,0,0,0,0|4,0,0]=4 1119 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [0,0,0,0,0,0|3,0,0]=3 1120 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [0,0,0,0,0,0|4,0,0]=4 1121 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,0,0,0,0,0|2,0,2]=4 1122 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,0,0,0,0,0|2,0,2]=4 1123 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [0,0,0,0,0,0|3,0,0]=3 1124 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [0,0,0,0,0,0|3,0,0]=3 1125 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,0,0,0,0,0|2,0,0]=2 1126 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,0,0,0,0,0|2,0,0]=2 1127 B9R0.2 CSCCSCCN(C)C 62a_100000212216_100000755713 [0,0,0,0,0,0|4,0,0]=4 1128 B9R0.2 CSCCSCOC(C)C 62a_100000212216_100000709892 [0,0,0,0,0,0|4,0,0]=4 1129 B9R0.2 CSCCSCOC(C)C 62a_100000709892_100000751147 [0,0,0,0,0,0|4,0,0]=4 1130 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [0,0,0,0,0,0|3,0,0]=3 1131 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [0,0,0,0,0,0|3,0,0]=3 1132 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,0,0,0,0,0|3,0,1]=4 1133 B9R0.2 CSCNCCOC(C)C 2230a_100000701111_100011218213 [0,0,0,0,0,0|4,0,0]=4 1134 B9R0.2 CSCNCCOC(C)C 34a_100000701111_100011218213 [0,0,0,0,0,0|4,0,0]=4 1135 B9R0.2 CSCNCCSC(C)C 2230a_100000731138_100011218213 [0,0,0,0,0,0|4,0,0]=4 1136 B9R0.2 CSCNCCSC(C)C 34a_100000731138_100011218213 [0,0,0,0,0,0|4,0,0]=4 1137 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,0,0,0,0|2,0,2]=4 1138 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,0,0,0,0,0|3,0,0]=3 1139 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [0,0,0,0,0,0|4,0,0]=4 1140 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [0,0,0,0,0,0|4,0,0]=4 1141 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [0,0,0,0,0,0|4,0,0]=4 1142 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,0,0,0,0|2,0,2]=4 1143 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,0,0,0,0|2,0,2]=4 1144 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [0,0,0,0,0,0|3,0,0]=3 1145 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [0,0,0,0,0,0|3,0,0]=3 1146 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,0,0,0,0,0|2,0,0]=2 1147 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,0,0,0,0,0|2,0,0]=2 1148 B9R0.2 CSCSCCCN(C)C 62a_100011218213_100000757444 [0,0,0,0,0,0|4,0,0]=4 1149 B9R0.2 CSCSCCOC(C)C 62a_100000211751_100011218213 [0,0,0,0,0,0|4,0,0]=4 1150 B9R0.2 CSCSCCOC(C)C 62a_100011218213_100000211751 [0,0,0,0,0,0|4,0,0]=4 1151 B9R0.2 CSCSCCSC(C)C 62a_100000730970_100011218213 [0,0,0,0,0,0|4,0,0]=4 1152 B9R0.2 CSCSCCSC(C)C 62a_100011218213_100000730970 [0,0,0,0,0,0|4,0,0]=4 1153 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [0,0,0,0,0,0|3,0,0]=3 1154 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,0,0,0,0,0|3,0,0]=3 1155 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [0,0,0,0,0,0|3,0,0]=3 1156 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,0,0,0,0,0|3,0,0]=3 1157 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [0,0,0,0,0,0|3,0,0]=3 1158 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,0,0,0,0,0|3,0,0]=3 1159 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,0,0,0,0,0|2,0,0]=2 1160 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,0,0,0,0,0|2,0,0]=2 1161 B9R0.2 C[C@@H](O)COCC#CCCl 34a_200000047223_100009817552 [0,0,0,0,0,0|2,0,2]=4 1162 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,0,0,0,0,0|2,0,0]=2 1163 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,0,0,0,0,0|2,0,0]=2 1164 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,0,0,0,0,0|2,0,0]=2 1165 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,0,0,0,0,0|2,0,0]=2 1166 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,0,0,0,0,0|2,0,0]=2 1167 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,0,0,0,0,0|2,0,0]=2 1168 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,0,0,0,0,0|2,0,0]=2 1169 B9R0.2 C[C@@H](O)CSCC#CCO 62a_100009817552_200000047223 [0,0,0,0,0,0|2,0,2]=4 1170 B9R0.2 C[C@@H](O)CSCC#CCO 62a_200000047223_100009817552 [0,0,0,0,0,0|2,0,2]=4 1171 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [0,0,0,0,0,0|2,0,1]=3 1172 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [0,0,0,0,0,0|2,0,1]=3 1173 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,0,0,0,0,0|2,0,1]=3 1174 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,0,0,0,0,0|2,0,1]=3 1175 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,0,0,0,0,0|2,0,0]=2 1176 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,0,0,0,0,0|2,0,0]=2 1177 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,0,0,0,0,0|2,0,0]=2 1178 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,0,0,0,0,0|2,0,0]=2 1179 B9R0.2 C[C@@H](O)CSCCSC#N 62a_100000034367_100009817552 [0,0,0,0,0,0|3,0,1]=4 1180 B9R0.2 C[C@@H](O)CSCCSC#N 62a_100009817552_100000034367 [0,0,0,0,0,0|3,0,1]=4 1181 B9R0.2 FC(F)COCCCCBr 34a_100011216708_100011934356 [0,0,0,0,0,0|4,0,0]=4 1182 B9R0.2 FC(F)COCCCCCl 34a_100000210776_100011934356 [0,0,0,0,0,0|4,0,0]=4 1183 B9R0.2 FC(F)COCCCCCl 7a_100000210776_100011934356 [0,0,0,0,0,0|4,0,0]=4 1184 B9R0.2 FC(F)COCCCCI 34a_200012148704_100011934356 [0,0,0,0,0,0|4,0,0]=4 1185 B9R0.2 FCCCCNCC(F)F 34a_100000765723_100000729493 [0,0,0,0,0,0|4,0,0]=4 1186 B9R0.2 FCCCCOCC(F)F 34a_100000743014_100000729493 [0,0,0,0,0,0|4,0,0]=4 1187 B9R0.2 FCCCCOCC(F)F 34a_100011995726_100011934356 [0,0,0,0,0,0|4,0,0]=4 1188 B9R0.2 FCCCCOCC(F)F 7a_100011995726_100011934356 [0,0,0,0,0,0|4,0,0]=4 1189 B9R0.2 FCCCCSCC(F)F 62a_100000729493_100011934356 [0,0,0,0,0,0|4,0,0]=4 1190 B9R0.2 FCCCCSCC(F)F 62a_100011934356_100000729493 [0,0,0,0,0,0|4,0,0]=4 1191 B9R0.2 FCCCOCCC(F)F 34a_100103093639_100011934791 [0,0,0,0,0,0|4,0,0]=4 1192 B9R0.2 NCCCCOCC(F)F 34a_100000750430_100011934356 [0,0,0,0,0,0|4,0,0]=4 1193 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,0,0,0,0,0|3,0,1]=4 1194 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,0,0,0,0|3,0,1]=4 1195 B9R0.2 OB(O)CCCCSCF 62a_100015361967_200009817182 [0,0,0,0,0,0|4,0,0]=4 1196 B9R0.2 OB(O)CCCCSCF 62a_200009817182_100015361967 [0,0,0,0,0,0|4,0,0]=4 1197 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [0,0,0,0,0,0|4,0,0]=4 1198 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [0,0,0,0,0,0|4,0,0]=4 1199 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [0,0,0,0,0,0|4,0,0]=4 1200 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [0,0,0,0,0,0|4,0,0]=4 1201 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [0,0,0,0,0,0|4,0,0]=4 1202 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [0,0,0,0,0,0|4,0,0]=4 1203 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [0,0,0,0,0,0|4,0,0]=4 1204 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|1,0,2]=3 1205 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,0,0,0,0,0|2,0,2]=4 1206 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,0,0,0,0,0|2,0,2]=4 1207 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,0,0,0,0,0|2,0,2]=4 1208 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,0,0,0,0,0|3,0,0]=3 1209 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,0,0,0,0,0|3,0,0]=3 1210 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,0,0,0,0,0|2,0,2]=4 1211 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,0,0,0,0,0|2,0,2]=4 1212 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1213 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|1,0,2]=4 1214 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1215 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1216 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|1,0,2]=4 1217 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1218 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1219 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1220 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|1,0,2]=4 1221 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|1,0,2]=4 1222 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|1,0,2]=4 1223 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|1,0,2]=4 1224 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1225 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|1,0,2]=4 1226 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1227 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1228 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|1,0,2]=4 1229 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1230 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|1,0,2]=4 1231 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|1,0,2]=4 1232 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|1,0,2]=4 1233 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [1,0,0,0,0,0|1,0,2]=4 1234 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [1,0,0,0,0,0|1,0,2]=4 1235 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [1,0,0,0,0,0|1,0,2]=4 1236 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|1,0,2]=4 1237 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|1,0,2]=4 1238 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|1,0,2]=4 1239 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 1240 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 1241 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|1,0,2]=4 1242 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|1,0,2]=4 1243 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [1,0,0,0,0,0|1,0,2]=4 1244 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [1,0,0,0,0,0|1,0,2]=4 1245 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|1,0,2]=4 1246 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|1,0,2]=4 1247 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|1,0,2]=4 1248 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [1,0,0,0,0,0|1,0,2]=4 1249 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|1,0,2]=4 1250 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|1,0,2]=4 1251 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|1,0,2]=4 1252 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [1,0,0,0,0,0|1,0,2]=4 1253 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|1,0,2]=4 1254 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|1,0,2]=4 1255 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [1,0,0,0,0,0|1,0,2]=4 1256 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [1,0,0,0,0,0|1,0,2]=4 1257 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|1,0,2]=4 1258 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|1,0,2]=4 1259 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [1,0,0,0,0,0|1,0,2]=4 1260 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [1,0,0,0,0,0|1,0,2]=4 1261 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [1,0,0,0,0,0|1,0,2]=4 1262 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|1,0,2]=4 1263 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|1,0,2]=4 1264 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|1,0,2]=4 1265 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [1,0,0,0,0,0|1,0,2]=4 1266 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|1,0,2]=4 1267 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [1,0,0,0,0,0|1,0,2]=4 1268 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|1,0,2]=4 1269 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,2]=4 1270 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|1,0,2]=4 1271 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|1,0,2]=4 1272 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|1,0,2]=4 1273 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|1,0,2]=4 1274 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|1,0,2]=4 1275 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|1,0,2]=4 1276 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|1,0,2]=4 1277 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,0,0,0,0|1,0,2]=4 1278 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,0,0,0,0|1,0,2]=4 1279 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|1,0,2]=4 1280 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|1,0,2]=4 1281 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|1,0,2]=4 1282 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|1,0,2]=4 1283 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|1,0,2]=4 1284 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|1,0,2]=4 1285 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|1,0,2]=4 1286 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|1,0,2]=4 1287 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|1,0,2]=4 1288 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|1,0,2]=4 1289 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|1,0,2]=4 1290 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|1,0,2]=4 1291 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 1292 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,2]=4 1293 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 1294 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 1295 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|1,0,2]=4 1296 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 1297 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|1,0,2]=4 1298 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|1,0,2]=4 1299 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1300 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1301 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 1302 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|1,0,2]=4 1303 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 1304 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|1,0,2]=4 1305 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|1,0,2]=4 1306 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|1,0,2]=4 1307 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|1,0,2]=4 1308 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 1309 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 1310 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|1,0,2]=4 1311 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|1,0,2]=4 1312 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1313 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,0,2]=4 1314 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|1,0,2]=4 1315 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|1,0,2]=4 1316 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|1,0,2]=4 1317 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|1,0,2]=4 1318 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|1,0,2]=4 1319 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|1,0,2]=4 1320 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|1,0,2]=4 1321 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|1,0,2]=4 1322 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|1,0,2]=4 1323 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|1,0,2]=4 1324 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|1,0,2]=4 1325 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|1,0,2]=4 1326 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|1,0,2]=4 1327 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|1,0,2]=4 1328 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|1,0,2]=4 1329 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|1,0,2]=4 1330 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|1,0,2]=4 1331 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1332 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|1,0,2]=4 1333 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1334 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,2]=4 1335 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|1,0,2]=4 1336 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|1,0,2]=4 1337 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|1,0,2]=4 1338 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|1,0,2]=4 1339 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,0,0,0,0,0|1,0,2]=4 1340 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,2]=4 1341 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,0,0,0,0,0|1,0,2]=4 1342 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,0,0,0,0,0|1,0,2]=4 1343 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,0,0,0,0,0|1,0,2]=4 1344 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,0,0,0,0,0|1,0,2]=4 1345 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 1346 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 1347 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,0,0,0,0,0|1,0,2]=4 1348 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,0,0,0,0,0|1,0,2]=4 1349 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,0,0,0,0,0|1,0,2]=4 1350 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [1,0,0,0,0,0|1,0,2]=4 1351 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,0,0,0,0,0|1,0,2]=4 1352 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,0,0,0,0,0|1,0,2]=4 1353 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [1,0,0,0,0,0|1,0,2]=4 1354 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [1,0,0,0,0,0|1,0,2]=4 1355 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,2]=4 1356 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,2]=4 1357 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,2]=4 1358 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,2]=4 1359 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,2]=4 1360 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,2]=4 1361 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,2]=4 1362 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,2]=4 1363 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,2]=4 1364 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,2]=4 1365 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|1,0,2]=4 1366 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|1,0,2]=4 1367 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|1,0,2]=4 1368 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|1,0,2]=4 1369 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,2]=4 1370 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|1,0,2]=4 1371 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|1,0,2]=4 1372 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1373 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|1,0,2]=4 1374 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|1,0,2]=4 1375 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|1,0,2]=4 1376 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|1,0,2]=4 1377 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|1,0,2]=4 1378 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|1,0,2]=4 1379 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|1,0,2]=4 1380 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|1,0,2]=4 1381 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,0,0,0,0|1,0,2]=4 1382 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,0,0,0,0|1,0,2]=4 1383 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 1384 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1385 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1386 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,0,0,0,0,0|1,0,2]=4 1387 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,0,0,0,0,0|1,0,2]=4 1388 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|1,0,2]=4 1389 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|1,0,2]=4 1390 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,2]=4 1391 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|1,0,2]=4 1392 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|1,0,2]=4 1393 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1394 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,0,0,0,0,0|1,0,2]=4 1395 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 1396 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 1397 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,1]=4 1398 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,0,0,0,0,0|1,0,2]=4 1399 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,0,0,0,0,0|1,0,2]=4 1400 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,0,0,0,0,0|1,0,2]=4 1401 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,0,0,0,0,0|1,0,2]=4 1402 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 1403 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 1404 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 1405 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 1406 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 1407 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 1408 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,0,0,0,0|2,0,1]=4 1409 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,0,0,0,0,0|2,0,1]=4 1410 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,0,0,0,0,0|1,0,2]=4 1411 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,0,0,0,0,0|1,0,2]=4 1412 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,0,0,0,0,0|1,0,2]=4 1413 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,0,0,0,0,0|1,0,2]=4 1414 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 1415 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,0]=2 1416 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,0]=2 1417 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,0]=2 1418 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,0]=2 1419 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,0]=2 1420 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,0]=2 1421 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,0]=2 1422 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,0]=2 1423 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,0]=2 1424 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,0]=2 1425 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,0]=2 1426 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,0]=2 1427 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,0]=2 1428 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,0]=2 1429 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,0]=2 1430 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,0]=2 1431 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 1432 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,0]=2 1433 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 1434 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1435 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1436 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,0]=2 1437 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,0]=2 1438 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,0]=3 1439 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,0]=3 1440 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 1441 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,2]=4 1442 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,0]=2 1443 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,0]=3 1444 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,0]=3 1445 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,0]=2 1446 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,0]=2 1447 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,0]=2 1448 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,0]=3 1449 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,0]=3 1450 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 1451 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,2]=4 1452 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,2]=4 1453 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,0]=3 1454 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1455 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,0]=2 1456 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1457 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1458 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1459 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,0]=3 1460 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 1461 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 1462 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,0]=3 1463 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 1464 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 1465 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,2]=4 1466 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,2]=4 1467 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,0]=2 1468 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,0]=2 1469 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,0]=3 1470 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,0]=3 1471 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,0]=2 1472 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,0]=2 1473 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,0]=3 1474 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,0]=3 1475 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,0]=3 1476 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,0]=3 1477 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 1478 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 1479 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,0]=2 1480 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,0]=2 1481 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,0]=3 1482 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,0]=3 1483 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,0]=3 1484 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,0]=3 1485 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,0]=2 1486 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,0]=2 1487 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|2,0,0]=3 1488 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|2,0,0]=3 1489 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|2,0,0]=3 1490 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|2,0,0]=3 1491 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|2,0,0]=3 1492 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|2,0,0]=3 1493 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|2,0,1]=4 1494 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,0]=3 1495 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|1,0,0]=2 1496 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|1,0,0]=2 1497 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,0]=3 1498 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 1499 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,0]=3 1500 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 1501 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,0]=3 1502 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,0]=2 1503 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,0]=2 1504 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|2,0,0]=3 1505 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|2,0,0]=3 1506 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|2,0,0]=3 1507 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|2,0,0]=3 1508 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|2,0,0]=3 1509 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1510 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|2,0,0]=3 1511 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|2,0,0]=3 1512 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|2,0,0]=3 1513 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|3,0,0]=4 1514 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1515 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|2,0,0]=3 1516 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|2,0,0]=3 1517 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|2,0,0]=3 1518 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|2,0,0]=3 1519 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|2,0,0]=3 1520 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|2,0,0]=3 1521 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|2,0,0]=3 1522 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|2,0,0]=3 1523 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|2,0,0]=3 1524 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,0]=3 1525 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|2,0,0]=3 1526 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|2,0,0]=3 1527 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|2,0,0]=3 1528 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,0,0,0,0,0|3,0,0]=4 1529 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,0,0,0,0,0|3,0,0]=4 1530 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|2,0,1]=4 1531 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|2,0,1]=4 1532 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|1,0,0]=2 1533 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,0]=3 1534 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,0]=3 1535 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,0]=2 1536 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,0]=2 1537 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|2,0,0]=3 1538 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|2,0,0]=3 1539 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|2,0,0]=3 1540 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|2,0,0]=3 1541 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|2,0,0]=3 1542 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|2,0,0]=3 1543 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|2,0,0]=3 1544 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|2,0,0]=3 1545 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|2,0,0]=3 1546 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|2,0,0]=3 1547 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|2,0,0]=3 1548 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|2,0,0]=3 1549 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 1550 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 1551 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,0]=3 1552 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,0]=3 1553 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1554 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1555 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,0]=3 1556 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,0,0,0,0,0|1,0,2]=4 1557 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,0]=3 1558 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 1559 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 1560 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,0]=3 1561 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 1562 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 1563 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,0]=3 1564 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 1565 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,0]=2 1566 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|2,0,0]=3 1567 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|2,0,0]=3 1568 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|2,0,0]=3 1569 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|2,0,0]=3 1570 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|2,0,0]=3 1571 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,0]=3 1572 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,0]=3 1573 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,0]=3 1574 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,0]=3 1575 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,0]=3 1576 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 1577 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 1578 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|3,0,0]=4 1579 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|2,0,0]=3 1580 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|2,0,0]=3 1581 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|2,0,0]=3 1582 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|2,0,0]=3 1583 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|2,0,0]=3 1584 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|2,0,0]=3 1585 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1586 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1587 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|2,0,0]=3 1588 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|2,0,0]=3 1589 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|2,0,0]=3 1590 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|2,0,0]=3 1591 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|2,0,0]=3 1592 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|3,0,0]=4 1593 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|3,0,0]=4 1594 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [1,0,0,0,0,0|1,0,2]=4 1595 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [1,0,0,0,0,0|1,0,2]=4 1596 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|2,0,1]=4 1597 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|2,0,1]=4 1598 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,2]=4 1599 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,2]=4 1600 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,0]=3 1601 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,0]=3 1602 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,0]=2 1603 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,0]=2 1604 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,0]=3 1605 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,0]=3 1606 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,0]=3 1607 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|2,0,0]=3 1608 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|2,0,0]=3 1609 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|2,0,0]=3 1610 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|2,0,0]=3 1611 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 1612 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 1613 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|2,0,0]=3 1614 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|2,0,0]=3 1615 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1616 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,2]=4 1617 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 1618 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 1619 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,0]=2 1620 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 1621 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,0]=3 1622 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 1623 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,0]=3 1624 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 1625 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1626 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,0]=3 1627 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1628 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,0]=3 1629 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,0,0,0,0,0|3,0,0]=4 1630 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1631 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1632 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1633 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1634 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 1635 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1636 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1637 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1638 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,0]=2 1639 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,0]=3 1640 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,0]=3 1641 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 1642 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 1643 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 1644 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 1645 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,0]=3 1646 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 1647 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1648 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1649 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 1650 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,0]=3 1651 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,0]=3 1652 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 1653 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 1654 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 1655 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1656 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 1657 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1658 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,0]=3 1659 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1660 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,0]=3 1661 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1662 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,0,0,0,0,0|3,0,0]=4 1663 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 1664 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 1665 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 1666 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1667 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1668 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1669 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1670 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1671 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1672 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1673 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1674 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1675 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1676 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 1677 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1678 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1679 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,0]=3 1680 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1681 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,0,0,0,0|3,0,0]=4 1682 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 1683 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 1684 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,0]=3 1685 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,0]=3 1686 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,0,0,0,0,0|3,0,0]=4 1687 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,0,0,0,0,0|3,0,0]=4 1688 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,0,0,0,0,0|3,0,0]=4 1689 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,0,0,0,0,0|3,0,0]=4 1690 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 1691 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 1692 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,0]=3 1693 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,0]=3 1694 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,0,0,0,0,0|3,0,0]=4 1695 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,0,0,0,0,0|3,0,0]=4 1696 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,0,0,0,0,0|3,0,0]=4 1697 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,0,0,0,0,0|3,0,0]=4 1698 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,0,0,0,0,0|3,0,0]=4 1699 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 1700 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 1701 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,2]=4 1702 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,2]=4 1703 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 1704 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 1705 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,0]=2 1706 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,0]=2 1707 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,0]=3 1708 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,0]=3 1709 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1710 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1711 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 1712 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 1713 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,0]=3 1714 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,0]=3 1715 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,0]=3 1716 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,0,0,0,0,0|3,0,0]=4 1717 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,0,0,0,0,0|3,0,0]=4 1718 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1719 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1720 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1721 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 1722 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1723 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,0]=3 1724 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 1725 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1726 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,0,0,0,0,0|3,0,0]=4 1727 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1728 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 1729 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,0]=3 1730 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,0]=3 1731 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,0,0,0,0,0|3,0,0]=4 1732 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,0,0,0,0,0|3,0,0]=4 1733 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,0,0,0,0,0|3,0,0]=4 1734 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,0,0,0,0,0|3,0,0]=4 1735 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,0,0,0,0,0|3,0,0]=4 1736 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,0,0,0,0,0|3,0,0]=4 1737 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1738 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1739 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 1740 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 1741 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 1742 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,0]=3 1743 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 1744 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,0]=2 1745 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,0]=2 1746 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,0]=2 1747 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,0]=2 1748 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,0]=2 1749 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|2,0,0]=3 1750 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|2,0,0]=3 1751 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|2,0,0]=3 1752 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|2,0,0]=3 1753 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|3,0,0]=4 1754 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,0]=3 1755 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,0,0,0,0,0|3,0,0]=4 1756 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,0,0,0,0,0|3,0,0]=4 1757 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,0,0,0,0,0|3,0,0]=4 1758 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,0,0,0,0,0|3,0,0]=4 1759 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,0,0,0,0,0|3,0,0]=4 1760 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,0,0,0,0,0|3,0,0]=4 1761 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,0,0,0,0,0|3,0,0]=4 1762 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,0,0,0,0,0|3,0,0]=4 1763 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 1764 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 1765 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 1766 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 1767 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 1768 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,0]=3 1769 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 1770 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 1771 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,0]=2 1772 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|2,0,0]=3 1773 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|2,0,0]=3 1774 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|3,0,0]=4 1775 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,0,0,0,0,0|3,0,0]=4 1776 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,0,0,0,0,0|3,0,0]=4 1777 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,0,0,0,0,0|3,0,0]=4 1778 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,0,0,0,0,0|3,0,0]=4 1779 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,0]=3 1780 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,0]=3 1781 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,0]=3 1782 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,0,0,0,0,0|3,0,0]=4 1783 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|3,0,0]=4 1784 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|3,0,0]=4 1785 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|3,0,0]=4 1786 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,0]=3 1787 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,0,0,0,0,0|3,0,0]=4 1788 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,0,0,0,0,0|3,0,0]=4 1789 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,0,0,0,0,0|3,0,0]=4 1790 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,0]=3 1791 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,0]=3 1792 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,0,0,0,0,0|3,0,0]=4 1793 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,0,0,0,0,0|3,0,0]=4 1794 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,0,0,0,0,0|3,0,0]=4 1795 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,0,0,0,0,0|3,0,0]=4 1796 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,0,0,0,0,0|3,0,0]=4 1797 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 1798 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 1799 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,0]=3 1800 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,0,0,0,0,0|3,0,0]=4 1801 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,0,0,0,0,0|3,0,0]=4 1802 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,0,0,0,0,0|3,0,0]=4 1803 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,0,0,0,0,0|3,0,0]=4 1804 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,0,0,0,0,0|3,0,0]=4 1805 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,0,0,0,0,0|3,0,0]=4 1806 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,0,0,0,0,0|3,0,0]=4 1807 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,0,0,0,0,0|3,0,0]=4 1808 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,0]=3 1809 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,0,0,0,0,0|3,0,0]=4 1810 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,0,0,0,0,0|3,0,0]=4 1811 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,0,0,0,0,0|3,0,0]=4 1812 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,0,0,0,0,0|3,0,0]=4 1813 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,0,0,0,0,0|3,0,0]=4 1814 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,0,0,0,0,0|3,0,0]=4 1815 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,0,0,0,0,0|3,0,0]=4 1816 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,0,0,0,0,0|3,0,0]=4 1817 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,0,0,0,0,0|3,0,0]=4 1818 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,0,0,0,0,0|3,0,0]=4 1819 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,0,0,0,0,0|3,0,0]=4 1820 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,0,0,0,0,0|3,0,0]=4 1821 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,0,0,0,0,0|3,0,0]=4 1822 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,0,0,0,0,0|3,0,0]=4 1823 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,0,0,0,0,0|3,0,0]=4 1824 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,0,0,0,0,0|3,0,0]=4 1825 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,0,0,0,0,0|3,0,0]=4 1826 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,0]=3 1827 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,0]=3 1828 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,0,0,0,0,0|3,0,0]=4 1829 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,0,0,0,0,0|3,0,0]=4 1830 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,0,0,0,0,0|3,0,0]=4 1831 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,0]=3 1832 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,0,0,0,0,0|3,0,0]=4 1833 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,0,0,0,0,0|3,0,0]=4 1834 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,0,0,0,0,0|3,0,0]=4 1835 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,0]=3 1836 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,0]=3 1837 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 1838 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 1839 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,2]=4 1840 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,2]=4 1841 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,0]=3 1842 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,0]=3 1843 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,0]=2 1844 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,0]=2 1845 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 1846 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 1847 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,0,0,0,0,0|3,0,0]=4 1848 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,0]=3 1849 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,0,0,0,0,0|3,0,0]=4 1850 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 1851 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 1852 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 1853 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 1854 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,0,0,0,0,0|3,0,0]=4 1855 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,0,0,0,0,0|3,0,0]=4 1856 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,0,0,0,0,0|3,0,0]=4 1857 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,0,0,0,0,0|3,0,0]=4 1858 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,0]=3 1859 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,0,0,0,0,0|3,0,0]=4 1860 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,0,0,0,0,0|3,0,0]=4 1861 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,0,0,0,0,0|3,0,0]=4 1862 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 1863 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,0,0,0,0,0|3,0,0]=4 1864 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 1865 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,0,0,0,0,0|3,0,0]=4 1866 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,0]=3 1867 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,0]=3 1868 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,0,0,0,0,0|3,0,0]=4 1869 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,0,0,0,0,0|3,0,0]=4 1870 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,0,0,0,0,0|3,0,0]=4 1871 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,0,0,0,0,0|3,0,0]=4 1872 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,0]=3 1873 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,0]=3 1874 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,0,0,0,0,0|3,0,0]=4 1875 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 1876 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 1877 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,0,0,0,0,0|3,0,0]=4 1878 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,0,0,0,0,0|3,0,0]=4 1879 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,0,0,0,0,0|3,0,0]=4 1880 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,0,0,0,0,0|3,0,0]=4 1881 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 1882 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,0,0,0,0,0|3,0,0]=4 1883 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,0,0,0,0,0|3,0,0]=4 1884 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,0]=3 1885 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,0]=3 1886 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 1887 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 1888 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 1889 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|3,0,0]=4 1890 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 1891 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 1892 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|3,0,0]=4 1893 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|3,0,0]=4 1894 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 1895 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 1896 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,0,0,0,0,0|3,0,0]=4 1897 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,0,0,0,0,0|3,0,0]=4 1898 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,0,0,0,0,0|3,0,0]=4 1899 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,0,0,0,0,0|3,0,0]=4 1900 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|3,0,0]=4 1901 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1902 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1903 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|3,0,0]=4 1904 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1905 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1906 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1907 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1908 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1909 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1910 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [1,0,0,0,0,0|2,0,1]=4 1911 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [1,0,0,0,0,0|2,0,1]=4 1912 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [1,0,0,0,0,0|2,0,1]=4 1913 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [1,0,0,0,0,0|2,0,1]=4 1914 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [1,0,0,0,0,0|2,0,1]=4 1915 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [1,0,0,0,0,0|2,0,1]=4 1916 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [1,0,0,0,0,0|2,0,1]=4 1917 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [1,0,0,0,0,0|2,0,1]=4 1918 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 1919 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 1920 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1921 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,0,0,0,0,0|3,0,0]=4 1922 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,0]=3 1923 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|3,0,0]=4 1924 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,0]=3 1925 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [1,0,0,0,0,0|3,0,0]=4 1926 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1927 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1928 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 1929 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 1930 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 1931 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 1932 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 1933 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,0]=3 1934 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,0]=3 1935 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,0]=3 1936 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 1937 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,0]=3 1938 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 1939 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1940 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,0]=3 1941 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1942 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,0]=3 1943 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,0]=3 1944 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 1945 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,0]=3 1946 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1947 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,0]=3 1948 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,0]=3 1949 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,0]=3 1950 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,0]=3 1951 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,0]=3 1952 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,0]=3 1953 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,0]=3 1954 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,0]=3 1955 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,0]=3 1956 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,0]=3 1957 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,0]=3 1958 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,0]=3 1959 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1960 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1961 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 1962 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 1963 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,0]=3 1964 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 1965 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 1966 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|3,0,0]=4 1967 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1968 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,0]=3 1969 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,0]=2 1970 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,0]=2 1971 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 1972 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 1973 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 1974 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 1975 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 1976 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 1977 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 1978 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 1979 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 1980 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,2]=4 1981 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,2]=4 1982 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,0]=3 1983 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,0]=3 1984 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,0]=2 1985 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,0]=2 1986 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [1,0,0,0,0,0|1,0,2]=4 1987 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [1,0,0,0,0,0|1,0,2]=4 1988 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [1,0,0,0,0,0|1,0,2]=4 1989 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [1,0,0,0,0,0|1,0,2]=4 1990 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [1,0,0,0,0,0|1,0,2]=4 1991 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [1,0,0,0,0,0|1,0,2]=4 1992 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [1,0,0,0,0,0|1,0,2]=4 1993 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [1,0,0,0,0,0|1,0,2]=4 1994 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [1,0,0,0,0,0|1,0,2]=4 1995 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [1,0,0,0,0,0|1,0,2]=4 1996 B8R0.7 C#CCNCCC(C)O 2230a_200000755665_100000038162 [1,0,0,0,0,0|1,0,2]=4 1997 B8R0.7 C#CCNCCC(C)O 34a_100000212058_100012276601 [1,0,0,0,0,0|1,0,2]=4 1998 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [1,0,0,0,0,0|1,0,2]=4 1999 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [1,0,0,0,0,0|1,0,2]=4 2000 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,0,0,0,0,0|1,0,2]=4 2001 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,0,0,0,0,0|1,0,2]=4 2002 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,0,0,0,0,0|1,0,2]=4 2003 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,0,0,0,0,0|1,0,2]=4 2004 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,0,0,0,0,0|1,0,2]=4 2005 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,0,0,0,0,0|1,0,2]=4 2006 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,0,0,0,0,0|1,0,2]=4 2007 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|2,0,1]=4 2008 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|2,0,1]=4 2009 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|2,0,1]=4 2010 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|2,0,1]=4 2011 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|2,0,1]=4 2012 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|2,0,1]=4 2013 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 2014 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|2,0,1]=4 2015 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 2016 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|2,0,1]=4 2017 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|2,0,1]=4 2018 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,0,0,0,0,0|1,0,2]=4 2019 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,0,0,0,0,0|1,0,2]=4 2020 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,0,0,0,0,0|1,0,2]=4 2021 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,0,0,0,0,0|1,0,2]=4 2022 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,0,0,0,0,0|1,0,2]=4 2023 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,0,0,0,0,0|1,0,2]=4 2024 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,0,0,0,0,0|1,0,2]=4 2025 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,0,0,0,0,0|1,0,2]=4 2026 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,0,0,0,0,0|1,0,2]=4 2027 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,0,0,0,0,0|1,0,2]=4 2028 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,0,0,0,0,0|1,0,2]=4 2029 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,0,0,0,0,0|1,0,2]=4 2030 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,0,0,0,0,0|1,0,2]=4 2031 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,0,0,0,0,0|1,0,2]=4 2032 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,0,0,0,0,0|1,0,2]=4 2033 B8R0.7 CC#CCNCC(C)O 2230a_100000210904_100000748600 [1,0,0,0,0,0|1,0,2]=4 2034 B8R0.7 CC#CCNCC(C)O 2230a_100000685387_100011218427 [1,0,0,0,0,0|1,0,2]=4 2035 B8R0.7 CC#CCNCC(C)O 34a_100000210904_100000748600 [1,0,0,0,0,0|1,0,2]=4 2036 B8R0.7 CC#CCNCC(C)O 34a_100000685387_100011218427 [1,0,0,0,0,0|1,0,2]=4 2037 B8R0.7 CC#CCNC[C@@H](C)O 2230a_100000685387_100009817552 [1,0,0,0,0,0|1,0,2]=4 2038 B8R0.7 CC#CCNC[C@@H](C)O 34a_100000685387_100009817552 [1,0,0,0,0,0|1,0,2]=4 2039 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [1,0,0,0,0,0|1,0,2]=4 2040 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [1,0,0,0,0,0|1,0,2]=4 2041 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [1,0,0,0,0,0|1,0,2]=4 2042 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [1,0,0,0,0,0|1,0,2]=4 2043 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [1,0,0,0,0,0|1,0,2]=4 2044 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [1,0,0,0,0,0|1,0,2]=4 2045 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|1,0,2]=4 2046 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,2]=4 2047 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,2]=4 2048 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,0,2]=4 2049 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,0,2]=4 2050 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,0,0,0,0,0|3,0,0]=4 2051 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,0,0,0,0,0|3,0,0]=4 2052 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,0,0,0,0,0|3,0,0]=4 2053 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,0,0,0,0,0|3,0,0]=4 2054 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,0,0,0,0,0|2,0,0]=3 2055 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,0,0,0,0,0|2,0,0]=3 2056 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,0,0,0,0,0|2,0,0]=3 2057 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,0,0,0,0,0|2,0,0]=3 2058 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,0,0,0,0,0|3,0,0]=4 2059 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,0,0,0,0,0|3,0,0]=4 2060 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,0,0,0,0,0|3,0,0]=4 2061 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,0,0,0,0,0|3,0,0]=4 2062 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,0,0,0,0,0|3,0,0]=4 2063 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,0,0,0,0,0|3,0,0]=4 2064 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,0,0,0,0,0|3,0,0]=4 2065 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,0,0,0,0,0|3,0,0]=4 2066 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,0,0,0,0,0|3,0,0]=4 2067 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,0,0,0,0,0|3,0,0]=4 2068 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,0,0,0,0,0|3,0,0]=4 2069 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,0,0,0,0,0|3,0,0]=4 2070 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,0,0,0,0,0|3,0,0]=4 2071 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,0,0,0,0,0|3,0,0]=4 2072 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,0,0,0,0,0|3,0,0]=4 2073 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,0,0,0,0,0|3,0,0]=4 2074 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,0,0,0,0,0|3,0,0]=4 2075 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,0,0,0,0,0|3,0,0]=4 2076 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,0,0,0,0,0|3,0,0]=4 2077 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,0,0,0,0,0|3,0,0]=4 2078 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,0,0,0,0,0|3,0,0]=4 2079 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,0,0,0,0,0|3,0,0]=4 2080 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,0,0,0,0,0|3,0,0]=4 2081 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,0,0,0,0,0|3,0,0]=4 2082 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,0,0,0,0,0|3,0,0]=4 2083 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,0,0,0,0,0|3,0,0]=4 2084 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,0,0,0,0,0|3,0,0]=4 2085 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,0,0,0,0,0|3,0,0]=4 2086 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,0,0,0,0,0|3,0,0]=4 2087 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,0,0,0,0,0|3,0,0]=4 2088 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,0,0,0,0,0|3,0,0]=4 2089 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,0,0,0,0,0|3,0,0]=4 2090 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,0,0,0,0,0|3,0,0]=4 2091 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,0,0,0,0,0|3,0,0]=4 2092 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,0,0,0,0,0|3,0,0]=4 2093 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,0,0,0,0,0|3,0,0]=4 2094 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,0,0,0,0,0|3,0,0]=4 2095 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,0,0,0,0,0|3,0,0]=4 2096 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,0,0,0,0,0|3,0,0]=4 2097 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,0,0,0,0,0|3,0,0]=4 2098 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,0,0,0,0,0|3,0,0]=4 2099 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,0,0,0,0,0|3,0,0]=4 2100 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,0,0,0,0,0|3,0,0]=4 2101 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,0,0,0,0,0|3,0,0]=4 2102 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,0,0,0,0,0|3,0,0]=4 2103 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,0,0,0,0,0|3,0,0]=4 2104 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,0,0,0,0,0|3,0,0]=4 2105 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,0,0,0,0,0|3,0,0]=4 2106 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,0,0,0,0,0|3,0,0]=4 2107 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,0,0,0,0,0|3,0,0]=4 2108 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,0,0,0,0,0|3,0,0]=4 2109 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,0,0,0,0,0|3,0,0]=4 2110 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,0,0,0,0,0|3,0,0]=4 2111 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,0,0,0,0,0|3,0,0]=4 2112 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,0,0,0,0,0|3,0,0]=4 2113 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,0,0,0,0,0|3,0,0]=4 2114 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,0,0,0,0,0|3,0,0]=4 2115 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,0,0,0,0,0|3,0,0]=4 2116 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,0,0,0,0,0|3,0,0]=4 2117 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,0,0,0,0,0|3,0,0]=4 2118 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,0,0,0,0,0|3,0,0]=4 2119 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,0,0,0,0,0|3,0,0]=4 2120 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,0,0,0,0,0|3,0,0]=4 2121 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,0,0,0,0,0|3,0,0]=4 2122 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,0,0,0,0,0|3,0,0]=4 2123 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,0,0,0,0,0|3,0,0]=4 2124 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,0,0,0,0,0|3,0,0]=4 2125 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,0,0,0,0,0|2,0,0]=3 2126 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,0,0,0,0,0|2,0,0]=3 2127 B8R0.7 CC(O)CCNCC#N 2230a_200000755665_100011215382 [1,0,0,0,0,0|2,0,1]=4 2128 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,0,0,0,0,0|2,0,1]=4 2129 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,0,0,0,0,0|2,0,0]=3 2130 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,0,0,0,0,0|2,0,0]=3 2131 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,0,0,0,0,0|2,0,0]=3 2132 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,0,0,0,0,0|2,0,0]=3 2133 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,0,0,0,0,0|2,0,0]=3 2134 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,0,0,0,0,0|2,0,0]=3 2135 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,0,0,0,0,0|2,0,0]=3 2136 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [1,0,0,0,0,0|2,0,1]=4 2137 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [1,0,0,0,0,0|2,0,1]=4 2138 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,0,0,0,0,0|2,0,1]=4 2139 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,0,0,0,0,0|2,0,1]=4 2140 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,0,0,0,0,0|2,0,0]=3 2141 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,0,0,0,0,0|2,0,0]=3 2142 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,0,0,0,0,0|2,0,0]=3 2143 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,0,0,0,0,0|2,0,0]=3 2144 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [1,0,0,0,0,0|2,0,1]=4 2145 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,0,0,0,0,0|2,0,0]=3 2146 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,0,0,0,0,0|2,0,0]=3 2147 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,0,0,0,0,0|2,0,0]=3 2148 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,0,0,0,0,0|2,0,0]=3 2149 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,0,0,0,0,0|2,0,0]=3 2150 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,0,0,0,0,0|2,0,0]=3 2151 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,0,0,0,0,0|2,0,0]=3 2152 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,0,0,0,0,0|2,0,0]=3 2153 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,0,0,0,0,0|2,0,0]=3 2154 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,0,0,0,0,0|2,0,0]=3 2155 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [1,0,0,0,0,0|3,0,0]=4 2156 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [1,0,0,0,0,0|2,0,1]=4 2157 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [1,0,0,0,0,0|2,0,1]=4 2158 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,0,0,0,0,0|2,0,0]=3 2159 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,0,0,0,0,0|2,0,0]=3 2160 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,0,0,0,0,0|2,0,0]=3 2161 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,0,0,0,0,0|2,0,0]=3 2162 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,0,0,0,0,0|1,0,2]=4 2163 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,0,0,0,0,0|1,0,2]=4 2164 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,0,0,0,0,0|1,0,2]=4 2165 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,0,0,0,0,0|1,0,2]=4 2166 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,0,0,0,0,0|1,0,2]=4 2167 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,0,0,0,0,0|1,0,2]=4 2168 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [1,0,0,0,0,0|2,0,1]=4 2169 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|0,0,2]=3 2170 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|0,0,2]=3 2171 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|0,0,2]=3 2172 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,0]=3 2173 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,0]=3 2174 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,0]=3 2175 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,0]=3 2176 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,0]=3 2177 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,0]=3 2178 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|1,0,2]=4 2179 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|1,0,2]=4 2180 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|1,0,2]=4 2181 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|1,0,2]=4 2182 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|2,0,0]=3 2183 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|2,0,0]=3 2184 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|2,0,0]=3 2185 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|2,0,0]=3 2186 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|2,0,0]=3 2187 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|2,0,0]=3 2188 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|2,0,0]=3 2189 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|2,0,0]=3 2190 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,1]=4 2191 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,0,0,0,0|2,0,0]=3 2192 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,0,0,0,0|2,0,0]=3 2193 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,0,0,0,0|2,0,0]=3 2194 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,0,0,0,0|2,0,0]=3 2195 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,0,0,0,0|2,0,0]=3 2196 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,0,0,0,0|1,0,0]=2 2197 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,0,0,0,0|1,0,0]=2 2198 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,0,0,0,0|1,0,0]=2 2199 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,0,0,0,0|1,0,0]=2 2200 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [1,0,0,0,0,0|3,0,0]=4 2201 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [1,0,0,0,0,0|3,0,0]=4 2202 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [1,0,0,0,0,0|3,0,0]=4 2203 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,0,0,0,0|1,0,0]=2 2204 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,0,0,0,0|1,0,0]=2 2205 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|1,0,2]=4 2206 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|1,0,2]=4 2207 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|1,0,2]=4 2208 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|1,0,2]=4 2209 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,0,0,0,0,0|2,0,0]=3 2210 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,0,0,0,0,0|2,0,0]=3 2211 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,0,0,0,0,0|2,0,0]=3 2212 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,0,0,0,0,0|2,0,0]=3 2213 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,0,0,0,0,0|2,0,0]=3 2214 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,0,0,0,0|1,0,0]=2 2215 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,0,0,0,0|1,0,0]=2 2216 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,0,0,0,0,0|3,0,0]=4 2217 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,0,0,0,0,0|3,0,0]=4 2218 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,0,0,0,0,0|3,0,0]=4 2219 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,0,0,0,0,0|3,0,0]=4 2220 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,0,0,0,0,0|3,0,0]=4 2221 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,0,0,0,0,0|2,0,0]=3 2222 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,0,0,0,0,0|2,0,0]=3 2223 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,0,0,0,0|1,0,0]=2 2224 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,0,0,0,0|1,0,0]=2 2225 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|1,0,2]=4 2226 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|1,0,2]=4 2227 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,0,0,0,0,0|2,0,0]=3 2228 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,0,0,0,0,0|2,0,0]=3 2229 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,0,0,0,0|1,0,0]=2 2230 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,0,0,0,0|1,0,0]=2 2231 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [1,0,0,0,0,0|3,0,0]=4 2232 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [1,0,0,0,0,0|3,0,0]=4 2233 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,0,0,0,0|1,0,0]=2 2234 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,0,0,0,0|1,0,0]=2 2235 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,0,0,0,0,0|2,0,0]=3 2236 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|1,0,0]=2 2237 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,2]=4 2238 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,2]=4 2239 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,2]=4 2240 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,0,0,0,0,0|2,0,0]=3 2241 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,0,0,0,0,0|2,0,0]=3 2242 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,0,0,0,0,0|2,0,0]=3 2243 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,0,0,0,0,0|2,0,0]=3 2244 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|1,0,0]=2 2245 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,0,0,0,0,0|3,0,0]=4 2246 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 2247 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 2248 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,0,0,0,0,0|2,0,0]=3 2249 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,0,0,0,0,0|3,0,0]=4 2250 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,2]=4 2251 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,2]=4 2252 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,0,0,0,0,0|2,0,0]=3 2253 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,0,0,0,0,0|2,0,0]=3 2254 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|1,0,0]=2 2255 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|1,0,0]=2 2256 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,0,0,0,0,0|3,0,0]=4 2257 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,0,0,0,0,0|3,0,0]=4 2258 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,0,0,0,0,0|3,0,0]=4 2259 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,0,0,0,0,0|2,0,0]=3 2260 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,0,0,0,0,0|2,0,0]=3 2261 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,0,0,0,0,0|2,0,0]=3 2262 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|1,0,0]=2 2263 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|2,0,1]=4 2264 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,0,0,0,0,0|3,0,0]=4 2265 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,0,0,0,0,0|3,0,0]=4 2266 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,0,0,0,0,0|3,0,0]=4 2267 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,0,0,0,0,0|3,0,0]=4 2268 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,0,0,0,0,0|3,0,0]=4 2269 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,0,0,0,0,0|3,0,0]=4 2270 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,2]=4 2271 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 2272 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,2]=4 2273 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 2274 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,0,0,0,0,0|2,0,0]=3 2275 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,0,0,0,0,0|2,0,0]=3 2276 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,0,0,0,0,0|2,0,0]=3 2277 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|1,0,0]=2 2278 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 2279 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 2280 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,0,0,0,0,0|3,0,0]=4 2281 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,0,0,0,0,0|3,0,0]=4 2282 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,0,0,0,0,0|3,0,0]=4 2283 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,0,0,0,0,0|3,0,0]=4 2284 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,0,0,0,0,0|3,0,0]=4 2285 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,0,0,0,0,0|3,0,0]=4 2286 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,0,0,0,0,0|3,0,0]=4 2287 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,0,0,0,0,0|3,0,0]=4 2288 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,0,0,0,0,0|3,0,0]=4 2289 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,0,0,0,0,0|3,0,0]=4 2290 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,0,0,0,0,0|3,0,0]=4 2291 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,0,0,0,0,0|3,0,0]=4 2292 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,0,0,0,0,0|3,0,0]=4 2293 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,0,0,0,0,0|3,0,0]=4 2294 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,0,0,0,0,0|3,0,0]=4 2295 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,0,0,0,0,0|3,0,0]=4 2296 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,0,0,0,0,0|3,0,0]=4 2297 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,0,0,0,0,0|3,0,0]=4 2298 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,0,0,0,0,0|2,0,0]=3 2299 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,0,0,0,0,0|2,0,0]=3 2300 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,0,0,0,0,0|2,0,0]=3 2301 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,0,0,0,0,0|2,0,0]=3 2302 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|1,0,2]=4 2303 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|1,0,2]=4 2304 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,0,0,0,0,0|2,0,0]=3 2305 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,0,0,0,0,0|2,0,0]=3 2306 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|1,0,0]=2 2307 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|1,0,0]=2 2308 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,0,0,0,0,0|3,0,0]=4 2309 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,0,0,0,0,0|3,0,0]=4 2310 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,0,0,0,0,0|3,0,0]=4 2311 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,0,0,0,0,0|3,0,0]=4 2312 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,0,0,0,0,0|3,0,0]=4 2313 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,0,0,0,0,0|3,0,0]=4 2314 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,0,0,0,0,0|3,0,0]=4 2315 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,0,0,0,0,0|3,0,0]=4 2316 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,0,0,0,0,0|3,0,0]=4 2317 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,0,0,0,0,0|3,0,0]=4 2318 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,0,0,0,0,0|3,0,0]=4 2319 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,0,0,0,0,0|3,0,0]=4 2320 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,0,0,0,0,0|3,0,0]=4 2321 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 2322 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 2323 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 2324 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 2325 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 2326 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 2327 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,0,0,0,0,0|3,0,0]=4 2328 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 2329 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 2330 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,0,0,0,0,0|3,0,0]=4 2331 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,0,0,0,0,0|3,0,0]=4 2332 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,0,0,0,0,0|3,0,0]=4 2333 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,2]=4 2334 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,2]=4 2335 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,0,0,0,0,0|2,0,0]=3 2336 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,0,0,0,0,0|2,0,0]=3 2337 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,0,0,0,0,0|2,0,0]=3 2338 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,0,0,0,0,0|3,0,0]=4 2339 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,0,0,0,0,0|3,0,0]=4 2340 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,0,0,0,0,0|3,0,0]=4 2341 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,0,0,0,0,0|3,0,0]=4 2342 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,2]=4 2343 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,2]=4 2344 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,0,0,0,0,0|2,0,0]=3 2345 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,0,0,0,0,0|2,0,0]=3 2346 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,0,0,0,0,0|2,0,0]=3 2347 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,0,0,0,0,0|3,0,0]=4 2348 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,0,0,0,0,0|3,0,0]=4 2349 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,0,0,0,0,0|3,0,0]=4 2350 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,0,0,0,0,0|3,0,0]=4 2351 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,0,0,0,0,0|3,0,0]=4 2352 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,0,0,0,0,0|3,0,0]=4 2353 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,0,0,0,0,0|3,0,0]=4 2354 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,0,0,0,0,0|3,0,0]=4 2355 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,0,0,0,0,0|3,0,0]=4 2356 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,0,0,0,0,0|3,0,0]=4 2357 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,0,0,0,0,0|3,0,0]=4 2358 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,0,0,0,0,0|3,0,0]=4 2359 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,0,0,0,0,0|3,0,0]=4 2360 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,0,0,0,0,0|3,0,0]=4 2361 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,0,0,0,0,0|3,0,0]=4 2362 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,0,0,0,0,0|2,0,0]=3 2363 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,0,0,0,0,0|2,0,0]=3 2364 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,0,0,0,0,0|2,0,0]=3 2365 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,0,0,0,0,0|2,0,0]=3 2366 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,0,0,0,0,0|3,0,0]=4 2367 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,0,0,0,0,0|3,0,0]=4 2368 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,0,0,0,0,0|3,0,0]=4 2369 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,0,0,0,0,0|3,0,0]=4 2370 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,0,0,0,0,0|3,0,0]=4 2371 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,0,0,0,0,0|3,0,0]=4 2372 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,0,0,0,0,0|2,0,0]=3 2373 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,0,0,0,0,0|3,0,0]=4 2374 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,0,0,0,0,0|3,0,0]=4 2375 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,0,0,0,0,0|2,0,0]=3 2376 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,0,0,0,0,0|3,0,0]=4 2377 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,0,0,0,0,0|3,0,0]=4 2378 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,0,0,0,0,0|3,0,0]=4 2379 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,0,0,0,0,0|3,0,0]=4 2380 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,0,0,0,0,0|2,0,0]=3 2381 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,0,0,0,0,0|2,0,0]=3 2382 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,0,0,0,0,0|2,0,0]=3 2383 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,0,0,0,0,0|2,0,0]=3 2384 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,0,0,0,0,0|2,0,0]=3 2385 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,0,0,0,0,0|3,0,0]=4 2386 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,0,0,0,0,0|3,0,0]=4 2387 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,0,0,0,0,0|2,0,0]=3 2388 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,0,0,0,0,0|2,0,0]=3 2389 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,0,0,0,0,0|3,0,0]=4 2390 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,0,0,0,0,0|3,0,0]=4 2391 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,0,2]=4 2392 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,0,2]=4 2393 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,0,0,0,0,0|2,0,0]=3 2394 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,0,0,0,0,0|2,0,0]=3 2395 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,0,0,0,0,0|3,0,0]=4 2396 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,0,0,0,0,0|3,0,0]=4 2397 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,0,0,0,0,0|3,0,0]=4 2398 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,0,0,0,0,0|3,0,0]=4 2399 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,0,0,0,0,0|3,0,0]=4 2400 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,0,0,0,0,0|3,0,0]=4 2401 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,0,0,0,0,0|3,0,0]=4 2402 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,0,0,0,0,0|3,0,0]=4 2403 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,0,0,0,0,0|2,0,0]=3 2404 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,0,0,0,0,0|2,0,0]=3 2405 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,0,0,0,0,0|2,0,0]=3 2406 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,0,0,0,0,0|2,0,0]=3 2407 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,0,0,0,0,0|3,0,0]=4 2408 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,0,0,0,0,0|3,0,0]=4 2409 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,0,0,0,0,0|3,0,0]=4 2410 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,0,0,0,0,0|3,0,0]=4 2411 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,0,0,0,0,0|3,0,0]=4 2412 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,0,0,0,0,0|2,0,0]=3 2413 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,0,0,0,0,0|2,0,0]=3 2414 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,0,0,0,0,0|3,0,0]=4 2415 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,0,0,0,0,0|3,0,0]=4 2416 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,0,0,0,0,0|2,0,0]=3 2417 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,0,0,0,0,0|2,0,0]=3 2418 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,0,0,0,0,0|3,0,0]=4 2419 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,0,0,0,0,0|3,0,0]=4 2420 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,0,0,0,0,0|2,0,0]=3 2421 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,0,0,0,0,0|2,0,0]=3 2422 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,0,0,0,0,0|2,0,0]=3 2423 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,0,0,0,0,0|2,0,0]=3 2424 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [1,0,0,0,0,0|2,0,0]=3 2425 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,0,0,0,0,0|3,0,0]=4 2426 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,0,0,0,0,0|3,0,0]=4 2427 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,0,0,0,0,0|3,0,0]=4 2428 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,0,0,0,0,0|3,0,0]=4 2429 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,0,0,0,0,0|3,0,0]=4 2430 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [1,0,0,0,0,0|2,0,0]=3 2431 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [1,0,0,0,0,0|2,0,0]=3 2432 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,0,0,0,0,0|3,0,0]=4 2433 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,0,0,0,0,0|3,0,0]=4 2434 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,0,0,0,0,0|3,0,0]=4 2435 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,0,0,0,0,0|3,0,0]=4 2436 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,0,0,0,0,0|3,0,0]=4 2437 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,0,0,0,0,0|3,0,0]=4 2438 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,0,0,0,0,0|2,0,0]=3 2439 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,0,0,0,0,0|2,0,0]=3 2440 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,0,0,0,0,0|2,0,0]=3 2441 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,0,0,0,0,0|2,0,0]=3 2442 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,0,0,0,0,0|2,0,0]=3 2443 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,0,0,0,0,0|2,0,0]=3 2444 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [1,0,0,0,0,0|3,0,0]=4 2445 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [1,0,0,0,0,0|2,0,1]=4 2446 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [1,0,0,0,0,0|2,0,1]=4 2447 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,0,0,0,0,0|2,0,0]=3 2448 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,0,0,0,0,0|2,0,0]=3 2449 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,0,0,0,0,0|2,0,0]=3 2450 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,0,0,0,0,0|2,0,0]=3 2451 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,2]=4 2452 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,0,0,0,0,0|3,0,0]=4 2453 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,0,0,0,0,0|3,0,0]=4 2454 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,1,0,0,0,0|0,0,3]=4 2455 B10R0.3 C#CCC(C)OCCC(C)O 34a_100000685586_100012276601 [0,1,0,0,0,0|1,0,2]=4 2456 B10R0.3 C#CCC(C)OCCC(C)O 7a_100000685586_100012276601 [0,1,0,0,0,0|1,0,2]=4 2457 B10R0.3 C#CCN(C)CCCC(C)O 2230a_100000225692_200000718107 [0,1,0,0,0,0|1,0,2]=4 2458 B10R0.3 C#CCN(C)CCCC(C)O 34a_100000225692_200000718107 [0,1,0,0,0,0|1,0,2]=4 2459 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [0,1,0,0,0,0|1,0,2]=4 2460 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,1,0,0,0,0|2,0,1]=4 2461 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,1,0,0,0,0|2,0,1]=4 2465 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,1,0,0,0,0|2,0,1]=4 2466 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,1,0,0,0,0|2,0,1]=4 2467 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,1,0,0,0,0|2,0,1]=4 2468 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,1,0,0,0,0|2,0,1]=4 2470 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,1,0,0,0,0|2,0,1]=4 2471 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,1,0,0,0,0|2,0,1]=4 2472 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,1,0,0,0,0|0,0,3]=4 2473 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,1,0,0,0,0|1,0,2]=4 2474 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,1,0,0,0,0|1,0,2]=4 2475 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,1,0,0,0,0|1,0,2]=4 2476 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,1,0,0,0,0|1,0,2]=4 2477 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,1,0,0,0,0|1,0,2]=4 2478 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,1,0,0,0,0|1,0,2]=4 2479 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,1,0,0,0,0|1,0,2]=4 2480 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,1,0,0,0,0|1,0,2]=4 2481 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,1,0,0,0,0|1,0,2]=4 2482 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,1,0,0,0,0|1,0,2]=4 2483 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,1,0,0,0,0|0,0,3]=4 2484 B10R0.3 CC#CC(C)OCCC(C)O 34a_100011216543_100012276601 [0,1,0,0,0,0|1,0,2]=4 2485 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,1,0,0,0,0|3,0,0]=4 2486 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,1,0,0,0,0|2,0,1]=4 2487 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,1,0,0,0,0|2,0,1]=4 2488 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,1,0,0,0,0|2,0,1]=4 2489 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,1,0,0,0,0|3,0,0]=4 2490 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,1,0,0,0,0|3,0,0]=4 2491 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,1,0,0,0,0|3,0,0]=4 2492 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,1,0,0,0,0|3,0,0]=4 2493 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,1,0,0,0,0|3,0,0]=4 2494 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,1,0,0,0,0|3,0,0]=4 2495 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,1,0,0,0,0|3,0,0]=4 2496 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,1,0,0,0,0|3,0,0]=4 2497 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,1,0,0,0,0|3,0,0]=4 2498 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,1,0,0,0,0|3,0,0]=4 2499 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,1,0,0,0,0|3,0,0]=4 2500 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,1,0,0,0,0|3,0,0]=4 2501 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [0,1,0,0,0,0|3,0,0]=4 2502 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [0,1,0,0,0,0|2,0,0]=3 2503 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,1,0,0,0,0|3,0,0]=4 2504 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,1,0,0,0,0|1,0,2]=4 2505 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,1,0,0,0,0|1,0,1]=3 2506 B10R0.3 CC(O)CCCN(C)CC#N 2230a_100000748184_200000718107 [0,1,0,0,0,0|2,0,1]=4 2507 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,1,0,0,0,0|2,0,0]=3 2508 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,1,0,0,0,0|2,0,0]=3 2509 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,1,0,0,0,0|2,0,1]=4 2510 B10R0.3 CC(O)CCNC(C)CC#N 2230a_200000755665_100009813641 [0,1,0,0,0,0|2,0,1]=4 2511 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,1,0,0,0,0|2,0,0]=3 2512 B10R0.3 CC(O)CCN[C@@H](C)CC#N 2230a_100016994482_100012276601 [0,1,0,0,0,0|2,0,1]=4 2513 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,1,0,0,0,0|2,0,0]=3 2514 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,1,0,0,0,0|2,0,0]=3 2515 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,1,0,0,0,0|2,0,0]=3 2516 B10R0.3 CC(O)CCSC(C)CC#N 62a_100009813641_100012276601 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.3 CC(O)CCSC(C)CC#N 62a_100012276601_100009813641 [0,1,0,0,0,0|2,0,1]=4 2518 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,1,0,0,0,0|2,0,0]=3 2519 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,1,0,0,0,0|2,0,0]=3 2520 B10R0.3 CC(O)CNC[C@@H](O)CC#N 2230a_100000210904_100000001066 [0,1,0,0,0,0|2,0,1]=4 2521 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [0,1,0,0,0,0|2,0,0]=3 2522 B10R0.3 CC(O)CSC[C@@H](O)CC#N 62a_100000001066_100011218427 [0,1,0,0,0,0|2,0,1]=4 2523 B10R0.3 CC(O)CSC[C@@H](O)CC#N 62a_100011218427_100000001066 [0,1,0,0,0,0|2,0,1]=4 2524 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,1,0,0,0,0|0,0,3]=4 2525 B10R0.3 CCCC(=NNCC(C)O)C 4a_200000730056_100000211909 [0,1,0,0,0,0|2,0,1]=4 2526 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|0,0,3]=4 2527 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,1,0,0,0,0|1,0,1]=3 2528 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,1,0,0,0,0|1,0,1]=3 2529 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|0,0,1]=2 2530 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,1,0,0,0,0|2,0,1]=4 2531 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,1,0,0,0,0|2,0,1]=4 2532 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,1,0,0,0,0|2,0,1]=4 2533 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,1,0,0,0,0|2,0,1]=4 2534 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,1,0,0,0,0|1,0,1]=3 2535 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,1,0,0,0,0|2,0,1]=4 2536 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,1,0,0,0,0|2,0,1]=4 2537 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,1,0,0,0,0|2,0,1]=4 2538 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,1,0,0,0,0|1,0,1]=3 2539 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,1,0,0,0,0|1,0,1]=3 2540 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,1,0,0,0,0|1,0,1]=3 2541 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,1,0,0,0,0|1,0,1]=3 2542 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,1,0,0,0,0|2,0,1]=4 2543 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,1,0,0,0,0|2,0,1]=4 2544 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,1,0,0,0,0|2,0,1]=4 2545 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,1,0,0,0,0|2,0,1]=4 2546 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,1,0,0,0,0|1,0,1]=3 2547 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,1,0,0,0,0|1,0,1]=3 2548 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,1,0,0,0,0|2,0,1]=4 2549 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,1,0,0,0,0|2,0,0]=3 2550 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,1,0,0,0,0|2,0,0]=3 2551 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,1,0,0,0,0|2,0,1]=4 2552 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,1,0,0,0,0|2,0,0]=3 2553 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,1,0,0,0,0|2,0,0]=3 2554 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,1,0,0,0,0|2,0,0]=3 2555 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,1,0,0,0,0|1,0,0]=2 2556 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,1,0,0,0,0|1,0,0]=2 2557 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,1,0,0,0,0|1,0,0]=2 2558 B10R0.3 CCCC(C)CNCC(F)F 270004a_100000765723_100000243154 [0,1,0,0,0,0|3,0,0]=4 2559 B10R0.3 CCCC(C)CNCC(F)F 34a_100000765723_100011216630 [0,1,0,0,0,0|3,0,0]=4 2560 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,0,0,0,0|1,0,2]=4 2561 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [0,1,0,0,0,0|2,0,0]=3 2562 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,1,0,0,0,0|2,0,0]=3 2563 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,1,0,0,0,0|2,0,0]=3 2564 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,1,0,0,0,0|2,0,0]=3 2565 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [0,1,0,0,0,0|2,0,0]=3 2566 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,1,0,0,0,0|1,0,0]=2 2567 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,1,0,0,0,0|1,0,0]=2 2568 B10R0.3 CCCC(C)COCC(F)F 34a_100000688023_100011934356 [0,1,0,0,0,0|3,0,0]=4 2569 B10R0.3 CCCC(C)COCC(F)F 34a_100000743014_100011216630 [0,1,0,0,0,0|3,0,0]=4 2570 B10R0.3 CCCC(C)COCC(F)F 7a_100000688023_100011934356 [0,1,0,0,0,0|3,0,0]=4 2571 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [0,1,0,0,0,0|2,0,0]=3 2572 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,1,0,0,0,0|1,0,0]=2 2574 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,1,0,0,0,0|1,0,0]=2 2575 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,1,0,0,0,0|2,0,0]=3 2576 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,1,0,0,0,0|2,0,0]=3 2577 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,1,0,0,0,0|1,0,0]=2 2578 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,1,0,0,0,0|1,0,0]=2 2579 B10R0.3 CCCC(C)CSCC(F)F 62a_100011216630_100011934356 [0,1,0,0,0,0|3,0,0]=4 2580 B10R0.3 CCCC(C)CSCC(F)F 62a_100011934356_100011216630 [0,1,0,0,0,0|3,0,0]=4 2581 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,1,0,0,0,0|1,0,0]=2 2582 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,1,0,0,0,0|1,0,0]=2 2583 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,1,0,0,0,0|2,0,0]=3 2584 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,1,0,0,0,0|2,0,0]=3 2585 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,1,0,0,0,0|2,0,0]=3 2586 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,1,0,0,0,0|1,0,0]=2 2587 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,1,0,0,0,0|1,0,0]=2 2588 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,1,0,0,0,0|1,0,0]=2 2589 B10R0.3 CCCC(C)NCCN(C)C 270004a_100000210585_100000211909 [0,1,0,0,0,0|3,0,0]=4 2590 B10R0.3 CCCC(C)NCOC(C)C 2230a_100000741246_100000709892 [0,1,0,0,0,0|3,0,0]=4 2591 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,0,0,0,0|1,0,2]=4 2592 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,0,0,0,0|1,0,2]=4 2593 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,0,0,0,0|1,0,2]=4 2594 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,1,0,0,0,0|2,0,0]=3 2595 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,1,0,0,0,0|2,0,0]=3 2596 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,1,0,0,0,0|2,0,0]=3 2597 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,1,0,0,0,0|2,0,0]=3 2598 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,1,0,0,0,0|2,0,0]=3 2599 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,1,0,0,0,0|1,0,0]=2 2600 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,1,0,0,0,0|1,0,0]=2 2601 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [0,1,0,0,0,0|3,0,0]=4 2602 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,1,0,0,0,0|3,0,0]=4 2603 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,1,0,0,0,0|2,0,0]=3 2604 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,1,0,0,0,0|3,0,0]=4 2605 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,0,0,0,0|1,0,2]=4 2606 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,0,0,0,0|1,0,2]=4 2607 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,1,0,0,0,0|2,0,0]=3 2608 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,1,0,0,0,0|2,0,0]=3 2609 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,1,0,0,0,0|1,0,0]=2 2610 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,1,0,0,0,0|1,0,0]=2 2611 B10R0.3 CCCC(C)SCCN(C)C 62a_100000766640_100000755713 [0,1,0,0,0,0|3,0,0]=4 2612 B10R0.3 CCCC(C)SCOC(C)C 62a_100000709892_100000766640 [0,1,0,0,0,0|3,0,0]=4 2613 B10R0.3 CCCC(C)SCOC(C)C 62a_100000766640_100000709892 [0,1,0,0,0,0|3,0,0]=4 2614 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,0,0,0,0|1,0,2]=4 2615 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,0,0,0,0|2,0,1]=4 2616 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,1,0,0,0,0|2,0,0]=3 2617 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,1,0,0,0,0|2,0,0]=3 2618 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,1,0,0,0,0|1,0,0]=2 2619 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,1,0,0,0,0|1,0,0]=2 2620 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000225831_100000210303 [0,1,0,0,0,0|3,0,0]=4 2621 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000717312_200000210301 [0,1,0,0,0,0|3,0,0]=4 2622 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000747261_100000757444 [0,1,0,0,0,0|3,0,0]=4 2623 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,1,0,0,0,0|3,0,0]=4 2624 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,1,0,0,0,0|3,0,0]=4 2625 B10R0.3 CCCN(C)CCSC(C)C 2230a_100000747261_100000730970 [0,1,0,0,0,0|3,0,0]=4 2626 B10R0.3 CCCN(C)CCSC(C)C 269982a_100000747261_100000730970 [0,1,0,0,0,0|3,0,0]=4 2627 B10R0.3 CCCN([13CH3])CCCN(C)C 269982a_100000717312_200025704644 [0,1,0,0,0,0|3,0,0]=4 2628 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,1,0,0,0,0|2,0,0]=3 2629 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,1,0,0,0,0|2,0,0]=3 2630 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,1,0,0,0,0|1,0,0]=2 2631 B10R0.3 CCC[C@H](N)COCC(F)F 34a_100000732646_100011934356 [0,1,0,0,0,0|3,0,0]=4 2632 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,1,0,0,0,0|1,0,0]=2 2633 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2634 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,1,0,0,0,0|1,0,1]=3 2637 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,1,0,0,0,0|2,0,1]=4 2639 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,1,0,0,0,0|2,0,1]=4 2640 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,1,0,0,0,0|2,0,1]=4 2641 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,1,0,0,0,0|2,0,1]=4 2642 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,1,0,0,0,0|2,0,1]=4 2643 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,1,0,0,0,0|2,0,1]=4 2646 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,1,0,0,0,0|2,0,1]=4 2647 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,1,0,0,0,0|2,0,1]=4 2648 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,1,0,0,0,0|2,0,1]=4 2649 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,1,0,0,0,0|2,0,0]=3 2650 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,1,0,0,0,0|2,0,0]=3 2651 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,1,0,0,0,0|3,0,0]=4 2652 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 2653 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 2654 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,0|2,0,1]=4 2655 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,0|2,0,1]=4 2656 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,0|2,0,1]=4 2657 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,1,0,0,0,0|2,0,0]=3 2659 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,1,0,0,0,0|2,0,0]=3 2660 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,1,0,0,0,0|2,0,1]=4 2661 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,1,0,0,0,0|2,0,1]=4 2662 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,1,0,0,0,0|1,0,1]=3 2663 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,1,0,0,0,0|2,0,1]=4 2664 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,1,0,0,0,0|2,0,1]=4 2665 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,1,0,0,0,0|3,0,0]=4 2666 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,1,0,0,0,0|2,0,0]=3 2667 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,1,0,0,0,0|2,0,0]=3 2668 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,1,0,0,0,0|3,0,0]=4 2669 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,1,0,0,0,0|3,0,0]=4 2670 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,1,0,0,0,0|3,0,0]=4 2671 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,1,0,0,0,0|3,0,0]=4 2672 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,1,0,0,0,0|3,0,0]=4 2673 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,1,0,0,0,0|3,0,0]=4 2674 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,1,0,0,0,0|2,0,0]=3 2675 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,1,0,0,0,0|2,0,0]=3 2676 B10R0.3 COCC(N)COCC(C)C 34a_100000724102_100000210624 [0,1,0,0,0,0|3,0,0]=4 2677 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [0,1,0,0,0,0|2,0,0]=3 2678 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [0,1,0,0,0,0|2,0,0]=3 2679 B10R0.3 COCC(O)CNCC(C)C 2230a_100000756049_100000210760 [0,1,0,0,0,0|3,0,0]=4 2680 B10R0.3 COCC(O)CNCC(C)C 270004a_100000756049_100000210432 [0,1,0,0,0,0|3,0,0]=4 2681 B10R0.3 COCC(O)CNCC(C)C 34a_100000210953_100011215053 [0,1,0,0,0,0|3,0,0]=4 2682 B10R0.3 COCC(O)CNCC(C)C 34a_100000756049_100000210624 [0,1,0,0,0,0|3,0,0]=4 2683 B10R0.3 COCC(O)CNCC(C)O 2230a_100000756049_100011218427 [0,1,0,0,0,0|2,0,0]=3 2684 B10R0.3 COCC(O)CNCC(C)O 34a_100000210904_100011215053 [0,1,0,0,0,0|2,0,0]=3 2685 B10R0.3 COCC(O)CNCC(C)O 34a_100000756049_100011218427 [0,1,0,0,0,0|2,0,0]=3 2686 B10R0.3 COCC(O)CNC[C@@H](C)O 2230a_100000756049_100009817552 [0,1,0,0,0,0|2,0,0]=3 2687 B10R0.3 COCC(O)CNC[C@@H](C)O 34a_100000756049_100009817552 [0,1,0,0,0,0|2,0,0]=3 2688 B10R0.3 COCC(O)COCC(C)Br 34a_100012180447_100011215053 [0,1,0,0,0,0|3,0,0]=4 2689 B10R0.3 COCC(O)COCC(C)C 34a_100000210257_100011215053 [0,1,0,0,0,0|3,0,0]=4 2690 B10R0.3 COCC(O)COCC(C)F 34a_100015925927_100011215053 [0,1,0,0,0,0|3,0,0]=4 2691 B10R0.3 COCC(O)COC[C@@H](C)Cl 34a_100016084084_100011215053 [0,1,0,0,0,0|3,0,0]=4 2692 B10R0.3 COCC(O)COC[C@@H](C)N 34a_100000737577_100011215053 [0,1,0,0,0,0|3,0,0]=4 2693 B10R0.3 COCC(O)CSCC(C)C 62a_100000210624_100011215053 [0,1,0,0,0,0|3,0,0]=4 2694 B10R0.3 COCC(O)CSCC(C)C 62a_100011215053_100000210760 [0,1,0,0,0,0|3,0,0]=4 2695 B10R0.3 COCC(O)CSCC(C)O 62a_100011215053_100011218427 [0,1,0,0,0,0|2,0,0]=3 2696 B10R0.3 COCC(O)CSCC(C)O 62a_100011218427_100011215053 [0,1,0,0,0,0|2,0,0]=3 2697 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100009817552_100011215053 [0,1,0,0,0,0|2,0,0]=3 2698 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100011215053_100009817552 [0,1,0,0,0,0|2,0,0]=3 2699 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,1,0,0,0,0|3,0,0]=4 2700 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,1,0,0,0,0|3,0,0]=4 2701 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,1,0,0,0,0|2,0,0]=3 2702 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,1,0,0,0,0|3,0,0]=4 2703 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,1,0,0,0,0|2,0,0]=3 2704 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,1,0,0,0,0|2,0,1]=4 2705 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,1,0,0,0,0|1,0,1]=3 2706 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,1,0,0,0,0|2,0,1]=4 2707 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,1,0,0,0,0|2,0,1]=4 2708 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [0,1,0,0,0,0|3,0,0]=4 2709 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [0,1,0,0,0,0|2,0,0]=3 2710 B10R0.3 C[C@@H](O)CSC[C@@H](O)CC#N 62a_100000001066_100009817552 [0,1,0,0,0,0|2,0,1]=4 2711 B10R0.3 C[C@@H](O)CSC[C@@H](O)CC#N 62a_100009817552_100000001066 [0,1,0,0,0,0|2,0,1]=4 2712 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,0,0,0,0|0,0,3]=4 2713 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,0,0,0,0|0,0,3]=4 2714 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,0,0,0,0|0,0,3]=4 2715 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,1,0,0,0,0|2,0,1]=4 2717 B10R0.4 C#CCCCCCNC(C)C 2230a_100138425928_100012094781 [0,1,0,0,0,0|1,0,2]=4 2718 B10R0.4 C#CCCCCCNC(C)C 34a_100138425928_100012094781 [0,1,0,0,0,0|1,0,2]=4 2719 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,1,0,0,0,0|1,0,2]=4 2720 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,1,0,0,0,0|1,0,2]=4 2721 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,1,0,0,0,0|1,0,2]=4 2722 B10R0.4 C#CCCCCCSC(C)C 62a_100000210206_100012094781 [0,1,0,0,0,0|1,0,2]=4 2723 B10R0.4 C#CCCCCCSC(C)C 62a_100012094781_100000210206 [0,1,0,0,0,0|1,0,2]=4 2724 B10R0.4 C#CCCCCNCC(C)C 2230a_100000210953_100010269958 [0,1,0,0,0,0|1,0,2]=4 2725 B10R0.4 C#CCCCCNCC(C)C 2230a_100000706060_100000210760 [0,1,0,0,0,0|1,0,2]=4 2726 B10R0.4 C#CCCCCNCC(C)C 34a_100000210953_100010269958 [0,1,0,0,0,0|1,0,2]=4 2727 B10R0.4 C#CCCCCNCC(C)C 34a_100000706060_100000210624 [0,1,0,0,0,0|1,0,2]=4 2728 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [0,1,0,0,0,0|0,0,2]=3 2729 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [0,1,0,0,0,0|0,0,2]=3 2730 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [0,1,0,0,0,0|0,0,2]=3 2731 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [0,1,0,0,0,0|0,0,2]=3 2732 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [0,1,0,0,0,0|0,0,2]=3 2733 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [0,1,0,0,0,0|0,0,2]=3 2734 B10R0.4 C#CCCCCOCC(C)Br 34a_100012180447_100010269958 [0,1,0,0,0,0|1,0,2]=4 2735 B10R0.4 C#CCCCCOCC(C)C 34a_100000210257_100010269958 [0,1,0,0,0,0|1,0,2]=4 2736 B10R0.4 C#CCCCCOCC(C)C 34a_100000766709_100000210624 [0,1,0,0,0,0|1,0,2]=4 2737 B10R0.4 C#CCCCCOCC(C)C 7a_100000766709_100000210760 [0,1,0,0,0,0|1,0,2]=4 2738 B10R0.4 C#CCCCCOCC(C)F 34a_100015925927_100010269958 [0,1,0,0,0,0|1,0,2]=4 2739 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,1,0,0,0,0|0,0,2]=3 2740 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,1,0,0,0,0|0,0,2]=3 2741 B10R0.4 C#CCCCCOC[C@@H](C)Cl 34a_100016084084_100010269958 [0,1,0,0,0,0|1,0,2]=4 2742 B10R0.4 C#CCCCCOC[C@@H](C)N 34a_100000737577_100010269958 [0,1,0,0,0,0|1,0,2]=4 2743 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,1,0,0,0,0|0,0,2]=3 2744 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,1,0,0,0,0|0,0,2]=3 2745 B10R0.4 C#CCCCCSCC(C)C 62a_100000210624_100010269958 [0,1,0,0,0,0|1,0,2]=4 2746 B10R0.4 C#CCCCCSCC(C)C 62a_100010269958_100000210760 [0,1,0,0,0,0|1,0,2]=4 2747 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [0,1,0,0,0,0|0,0,2]=3 2748 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [0,1,0,0,0,0|0,0,2]=3 2749 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [0,1,0,0,0,0|0,0,2]=3 2750 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [0,1,0,0,0,0|0,0,2]=3 2751 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,1,0,0,0,0|1,0,2]=4 2752 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,1,0,0,0,0|0,0,2]=3 2753 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,1,0,0,0,0|0,0,2]=3 2754 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,1,0,0,0,0|1,0,2]=4 2755 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,1,0,0,0,0|1,0,2]=4 2756 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,1,0,0,0,0|1,0,2]=4 2757 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,1,0,0,0,0|1,0,2]=4 2758 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,1,0,0,0,0|1,0,2]=4 2759 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,1,0,0,0,0|0,0,2]=3 2760 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,1,0,0,0,0|0,0,2]=3 2761 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,1,0,0,0,0|1,0,2]=4 2762 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,1,0,0,0,0|1,0,2]=4 2763 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,1,0,0,0,0|1,0,2]=4 2764 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,1,0,0,0,0|0,0,2]=3 2765 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,1,0,0,0,0|0,0,2]=3 2766 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,1,0,0,0,0|1,0,2]=4 2767 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,1,0,0,0,0|1,0,2]=4 2768 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,1,0,0,0,0|1,0,2]=4 2769 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,1,0,0,0,0|0,0,2]=3 2770 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,1,0,0,0,0|1,0,2]=4 2771 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,1,0,0,0,0|1,0,2]=4 2772 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,1,0,0,0,0|1,0,2]=4 2773 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,1,0,0,0,0|0,0,2]=3 2774 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,1,0,0,0,0|1,0,2]=4 2775 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,1,0,0,0,0|1,0,2]=4 2776 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,1,0,0,0,0|0,0,2]=3 2777 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,1,0,0,0,0|0,0,2]=3 2778 B10R0.4 C#CCNCCCCC(C)C 34a_100000212058_100011216152 [0,1,0,0,0,0|1,0,2]=4 2779 B10R0.4 C#CCOCCCCC(C)C 34a_100000210247_100011216152 [0,1,0,0,0,0|1,0,2]=4 2780 B10R0.4 C#CCOCCCCC(C)C 34a_100011214890_100000184674 [0,1,0,0,0,0|1,0,2]=4 2781 B10R0.4 C#CCOCCCCC(C)C 7a_100011214890_100000038162 [0,1,0,0,0,0|1,0,2]=4 2782 B10R0.4 C#CCOCCNCC(C)O 2230a_100000210904_100010402529 [0,1,0,0,0,0|1,0,2]=4 2783 B10R0.4 C#CCOCCNCC(C)O 2230a_100000700922_100011218427 [0,1,0,0,0,0|1,0,2]=4 2784 B10R0.4 C#CCOCCNCC(C)O 34a_100000210904_100010402529 [0,1,0,0,0,0|1,0,2]=4 2785 B10R0.4 C#CCOCCNCC(C)O 34a_100000700922_100011218427 [0,1,0,0,0,0|1,0,2]=4 2786 B10R0.4 C#CCOCCNC[C@@H](C)O 2230a_100000700922_100009817552 [0,1,0,0,0,0|1,0,2]=4 2787 B10R0.4 C#CCOCCNC[C@@H](C)O 34a_100000700922_100009817552 [0,1,0,0,0,0|1,0,2]=4 2788 B10R0.4 C#CCOCCOCC(C)O 34a_100000054580_100011218427 [0,1,0,0,0,0|1,0,2]=4 2789 B10R0.4 C#CCOCCOCC(C)O 7a_100000054580_100011218427 [0,1,0,0,0,0|1,0,2]=4 2790 B10R0.4 C#CCOCCOC[C@@H](C)O 34a_100000054580_100009817552 [0,1,0,0,0,0|1,0,2]=4 2791 B10R0.4 C#CCOCCOC[C@@H](C)O 7a_100000054580_100009817552 [0,1,0,0,0,0|1,0,2]=4 2792 B10R0.4 C#CCOCCSCC(C)O 62a_100010402529_100011218427 [0,1,0,0,0,0|1,0,2]=4 2793 B10R0.4 C#CCOCCSCC(C)O 62a_100011218427_100010402529 [0,1,0,0,0,0|1,0,2]=4 2794 B10R0.4 C#CCOCCSC[C@@H](C)O 62a_100009817552_100010402529 [0,1,0,0,0,0|1,0,2]=4 2795 B10R0.4 C#CCOCCSC[C@@H](C)O 62a_100010402529_100009817552 [0,1,0,0,0,0|1,0,2]=4 2796 B10R0.4 C#CCSCCCCC(C)C 62a_100000038162_100011216152 [0,1,0,0,0,0|1,0,2]=4 2797 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,1,0,0,0,0|1,0,2]=4 2798 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|0,0,2]=3 2799 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,1,0,0,0,0|1,0,2]=4 2800 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,1,0,0,0,0|1,0,2]=4 2801 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,1,0,0,0,0|1,0,2]=4 2802 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,1,0,0,0,0|1,0,2]=4 2803 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|0,0,2]=3 2804 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,1,0,0,0,0|1,0,2]=4 2805 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,1,0,0,0,0|1,0,2]=4 2806 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|0,0,2]=3 2807 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|0,0,2]=3 2808 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,0,0,0,0|1,0,2]=4 2809 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|1,0,1]=3 2810 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 2811 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 2812 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,1,0,0,0,0|2,0,1]=4 2815 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,1,0,0,0,0|2,0,1]=4 2816 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,1,0,0,0,0|2,0,1]=4 2817 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,1,0,0,0,0|2,0,1]=4 2818 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|1,0,1]=3 2819 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|1,0,1]=3 2820 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|1,0,1]=3 2821 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 2822 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 2823 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,1,0,0,0,0|2,0,1]=4 2824 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,1,0,0,0,0|2,0,1]=4 2825 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,1,0,0,0,0|2,0,1]=4 2826 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,1,0,0,0,0|2,0,1]=4 2827 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 2828 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,0,0,0,0|2,0,1]=4 2829 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,1,0,0,0,0|2,0,1]=4 2830 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,1,0,0,0,0|2,0,1]=4 2831 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,1,0,0,0,0|2,0,1]=4 2832 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,1,0,0,0,0|2,0,1]=4 2833 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,1,0,0,0,0|2,0,1]=4 2834 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,1,0,0,0,0|2,0,1]=4 2835 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,1,0,0,0,0|2,0,1]=4 2836 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,1,0,0,0,0|2,0,1]=4 2837 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,1,0,0,0,0|2,0,1]=4 2838 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,1,0,0,0,0|2,0,1]=4 2839 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,1,0,0,0,0|2,0,1]=4 2840 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|1,0,1]=3 2841 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|1,0,1]=3 2842 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,1,0,0,0,0|2,0,1]=4 2843 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,1,0,0,0,0|2,0,1]=4 2844 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 2845 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,0,0,0,0|2,0,1]=4 2846 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,1,0,0,0,0|2,0,1]=4 2847 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|1,0,1]=3 2853 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 2855 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,1,0,0,0,0|2,0,1]=4 2856 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,1,0,0,0,0|2,0,1]=4 2857 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,1,0,0,0,0|2,0,1]=4 2858 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,1,0,0,0,0|2,0,1]=4 2859 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,1,0,0,0,0|2,0,1]=4 2860 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,1,0,0,0,0|2,0,1]=4 2862 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|1,0,1]=3 2863 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|1,0,1]=3 2864 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|1,0,1]=3 2865 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,1,0,0,0,0|2,0,1]=4 2866 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,1,0,0,0,0|2,0,1]=4 2867 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,1,0,0,0,0|2,0,1]=4 2868 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,1,0,0,0,0|2,0,1]=4 2874 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,1,0,0,0,0|2,0,1]=4 2876 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,1,0,0,0,0|2,0,1]=4 2877 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,1,0,0,0,0|2,0,1]=4 2878 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,1,0,0,0,0|2,0,1]=4 2879 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,1,0,0,0,0|2,0,1]=4 2880 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,1,0,0,0,0|2,0,1]=4 2881 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,0,0,0,0|2,0,1]=4 2882 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 2883 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 2884 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,1,0,0,0,0|2,0,1]=4 2885 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,1,0,0,0,0|2,0,1]=4 2887 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|1,0,1]=3 2888 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|1,0,1]=3 2889 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,1,0,0,0,0|2,0,1]=4 2890 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,0,0,0,0|2,0,1]=4 2893 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,1,0,0,0,0|2,0,1]=4 2894 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,1,0,0,0,0|2,0,1]=4 2895 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,1,0,0,0,0|2,0,1]=4 2896 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,1,0,0,0,0|2,0,1]=4 2897 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,1,0,0,0,0|2,0,1]=4 2898 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,1,0,0,0,0|2,0,1]=4 2899 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,1,0,0,0,0|2,0,1]=4 2900 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,1,0,0,0,0|2,0,1]=4 2901 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,0,0,0,0|1,0,2]=4 2902 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,0,0,0,0|1,0,2]=4 2903 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,0,0,0,0|1,0,2]=4 2904 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,0,0,0,0|1,0,2]=4 2905 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,0,0,0,0|1,0,2]=4 2906 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,0,0,0,0|1,0,2]=4 2907 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,0,0,0,0|0,0,3]=4 2908 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,0,0,0,0|0,0,3]=4 2909 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,0,0,0,0|0,0,3]=4 2910 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,1,0,0,0,0|2,0,1]=4 2911 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,1,0,0,0,0|1,0,2]=4 2913 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,1,0,0,0,0|1,0,2]=4 2914 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,1,0,0,0,0|1,0,2]=4 2915 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,1,0,0,0,0|1,0,2]=4 2916 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,1,0,0,0,0|1,0,2]=4 2917 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,1,0,0,0,0|1,0,2]=4 2918 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,1,0,0,0,0|1,0,2]=4 2919 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,1,0,0,0,0|1,0,2]=4 2920 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,1,0,0,0,0|1,0,2]=4 2921 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,1,0,0,0,0|1,0,2]=4 2922 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,1,0,0,0,0|1,0,2]=4 2923 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,1,0,0,0,0|1,0,2]=4 2924 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,1,0,0,0,0|0,0,2]=3 2925 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,1,0,0,0,0|0,0,2]=3 2926 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,1,0,0,0,0|0,0,2]=3 2927 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,1,0,0,0,0|0,0,2]=3 2928 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,1,0,0,0,0|0,0,2]=3 2929 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,1,0,0,0,0|0,0,2]=3 2930 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,1,0,0,0,0|1,0,2]=4 2931 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,1,0,0,0,0|1,0,2]=4 2932 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,1,0,0,0,0|1,0,2]=4 2933 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,1,0,0,0,0|1,0,2]=4 2934 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,1,0,0,0,0|1,0,2]=4 2935 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|0,0,2]=3 2936 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|0,0,2]=3 2937 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,1,0,0,0,0|1,0,2]=4 2938 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,1,0,0,0,0|1,0,2]=4 2939 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|0,0,2]=3 2940 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|0,0,2]=3 2941 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,1,0,0,0,0|1,0,2]=4 2942 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,1,0,0,0,0|1,0,2]=4 2943 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,1,0,0,0,0|0,0,2]=3 2944 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,1,0,0,0,0|0,0,2]=3 2945 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,1,0,0,0,0|0,0,2]=3 2946 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,1,0,0,0,0|0,0,2]=3 2947 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,1,0,0,0,0|1,0,2]=4 2948 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,1,0,0,0,0|1,0,2]=4 2949 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,1,0,0,0,0|1,0,2]=4 2950 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,1,0,0,0,0|0,0,2]=3 2951 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,1,0,0,0,0|0,0,2]=3 2952 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,1,0,0,0,0|0,0,2]=3 2953 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,1,0,0,0,0|1,0,2]=4 2954 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,1,0,0,0,0|1,0,2]=4 2955 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,1,0,0,0,0|1,0,2]=4 2956 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,1,0,0,0,0|1,0,2]=4 2957 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,1,0,0,0,0|1,0,2]=4 2958 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,1,0,0,0,0|0,0,2]=3 2959 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,1,0,0,0,0|0,0,2]=3 2960 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,1,0,0,0,0|1,0,2]=4 2961 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,1,0,0,0,0|1,0,2]=4 2962 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,1,0,0,0,0|1,0,2]=4 2963 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,1,0,0,0,0|0,0,2]=3 2964 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,1,0,0,0,0|0,0,2]=3 2965 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,1,0,0,0,0|1,0,2]=4 2966 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,1,0,0,0,0|1,0,2]=4 2967 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,1,0,0,0,0|1,0,2]=4 2968 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,1,0,0,0,0|0,0,2]=3 2969 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,1,0,0,0,0|1,0,2]=4 2970 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,1,0,0,0,0|1,0,2]=4 2971 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,1,0,0,0,0|1,0,2]=4 2972 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,1,0,0,0,0|0,0,2]=3 2973 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,1,0,0,0,0|1,0,2]=4 2974 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,1,0,0,0,0|1,0,2]=4 2975 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,1,0,0,0,0|0,0,2]=3 2976 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,1,0,0,0,0|0,0,2]=3 2977 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,1,0,0,0,0|1,0,2]=4 2978 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,1,0,0,0,0|1,0,2]=4 2979 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,1,0,0,0,0|1,0,2]=4 2980 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,1,0,0,0,0|1,0,2]=4 2981 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,1,0,0,0,0|1,0,2]=4 2982 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,1,0,0,0,0|1,0,2]=4 2983 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,1,0,0,0,0|1,0,2]=4 2984 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,1,0,0,0,0|1,0,2]=4 2985 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,1,0,0,0,0|1,0,2]=4 2986 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,1,0,0,0,0|1,0,2]=4 2987 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,1,0,0,0,0|1,0,2]=4 2988 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,1,0,0,0,0|1,0,2]=4 2989 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,1,0,0,0,0|1,0,2]=4 2990 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,1,0,0,0,0|1,0,2]=4 2991 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,1,0,0,0,0|1,0,2]=4 2992 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,1,0,0,0,0|1,0,2]=4 2993 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,1,0,0,0,0|1,0,2]=4 2994 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,1,0,0,0,0|1,0,2]=4 2995 B10R0.4 CC#CCCOCCC(C)C 34a_100000750427_100000210312 [0,1,0,0,0,0|1,0,2]=4 2996 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [0,1,0,0,0,0|0,0,2]=3 2997 B10R0.4 CC#CCNCCCC(C)C 2230a_100000685387_100011214892 [0,1,0,0,0,0|1,0,2]=4 2998 B10R0.4 CC#CCNCCCC(C)C 2230a_200000737386_100000748600 [0,1,0,0,0,0|1,0,2]=4 2999 B10R0.4 CC#CCNCCCC(C)C 34a_100000685387_100011214892 [0,1,0,0,0,0|1,0,2]=4 3000 B10R0.4 CC#CCNCCCC(C)C 34a_200000737386_100000748600 [0,1,0,0,0,0|1,0,2]=4 3001 B10R0.4 CC#CCNCCCC(C)O 2230a_100000685387_200000718107 [0,1,0,0,0,0|0,0,2]=3 3002 B10R0.4 CC#CCNCCCC(C)O 34a_100000685387_200000718107 [0,1,0,0,0,0|0,0,2]=3 3003 B10R0.4 CC#CCOCCCC(C)C 34a_100000210774_100000748600 [0,1,0,0,0,0|1,0,2]=4 3004 B10R0.4 CC#CCOCCCC(C)C 34a_100000761923_100011214892 [0,1,0,0,0,0|1,0,2]=4 3005 B10R0.4 CC#CCOCCCC(C)C 7a_100000210774_100000748600 [0,1,0,0,0,0|1,0,2]=4 3006 B10R0.4 CC#CCOCCCC(C)O 34a_100000761923_200000718107 [0,1,0,0,0,0|0,0,2]=3 3007 B10R0.4 CC#CCSCCCC(C)C 62a_100000748600_100011214892 [0,1,0,0,0,0|1,0,2]=4 3008 B10R0.4 CC#CCSCCCC(C)C 62a_100011214892_100000748600 [0,1,0,0,0,0|1,0,2]=4 3009 B10R0.4 CC#CCSCCCC(C)O 62a_100000748600_200000718107 [0,1,0,0,0,0|0,0,2]=3 3010 B10R0.4 CC#CCSCCCC(C)O 62a_200000718107_100000748600 [0,1,0,0,0,0|0,0,2]=3 3011 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,0,0,0,0|0,0,3]=4 3012 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|0,0,2]=3 3013 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|0,0,2]=3 3014 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|1,0,2]=4 3015 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|1,0,2]=4 3016 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|1,0,2]=4 3017 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|1,0,2]=4 3018 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|1,0,2]=4 3019 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|1,0,2]=4 3020 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|1,0,2]=4 3021 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|1,0,2]=4 3022 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|1,0,2]=4 3023 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|1,0,2]=4 3024 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|1,0,2]=4 3025 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|1,0,2]=4 3026 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|1,0,2]=4 3027 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|1,0,2]=4 3028 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|1,0,2]=4 3029 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|1,0,2]=4 3030 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|1,0,2]=4 3031 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|1,0,2]=4 3032 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|1,0,2]=4 3033 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|1,0,2]=4 3034 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|1,0,2]=4 3035 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|1,0,2]=4 3036 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|1,0,2]=4 3037 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|1,0,2]=4 3038 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|1,0,2]=4 3039 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|1,0,2]=4 3040 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|1,0,2]=4 3041 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|1,0,2]=4 3042 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|1,0,2]=4 3043 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|1,0,2]=4 3044 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|1,0,2]=4 3045 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|1,0,2]=4 3046 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,2]=4 3047 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,2]=4 3048 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,2]=4 3049 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|1,0,2]=4 3050 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|1,0,2]=4 3051 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|1,0,2]=4 3052 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|1,0,2]=4 3053 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,1,0,0,0,0|2,0,0]=3 3054 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,1,0,0,0,0|2,0,0]=3 3055 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,1,0,0,0,0|2,0,0]=3 3056 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|2,0,0]=3 3057 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,1,0,0,0,0|3,0,0]=4 3058 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,1,0,0,0,0|1,0,0]=2 3059 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,1,0,0,0,0|1,0,0]=2 3060 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,1,0,0,0,0|2,0,0]=3 3061 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,1,0,0,0,0|2,0,0]=3 3062 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,1,0,0,0,0|2,0,0]=3 3063 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,1,0,0,0,0|2,0,0]=3 3064 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,1,0,0,0,0|2,0,0]=3 3065 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,1,0,0,0,0|2,0,0]=3 3066 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|2,0,0]=3 3067 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|2,0,0]=3 3068 B10R0.4 CC(C)CCCCOCC#N 7a_100011214890_100011215382 [0,1,0,0,0,0|2,0,1]=4 3069 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,1,0,0,0,0|2,0,1]=4 3070 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,1,0,0,0,0|2,0,1]=4 3071 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,1,0,0,0,0|2,0,0]=3 3072 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,1,0,0,0,0|2,0,0]=3 3073 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,1,0,0,0,0|2,0,0]=3 3074 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,1,0,0,0,0|2,0,0]=3 3075 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|2,0,0]=3 3076 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|2,0,0]=3 3077 B10R0.4 CC(C)CCCCSCC#N 62a_100011215382_100011216152 [0,1,0,0,0,0|2,0,1]=4 3078 B10R0.4 CC(C)CCCCSCC#N 62a_100011216152_100011215382 [0,1,0,0,0,0|2,0,1]=4 3079 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,1,0,0,0,0|2,0,1]=4 3080 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,1,0,0,0,0|2,0,1]=4 3081 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,1,0,0,0,0|2,0,0]=3 3082 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,1,0,0,0,0|2,0,0]=3 3083 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|2,0,0]=3 3084 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|2,0,0]=3 3085 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,1,0,0,0,0|2,0,1]=4 3086 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,1,0,0,0,0|2,0,0]=3 3087 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,1,0,0,0,0|2,0,0]=3 3088 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,1,0,0,0,0|2,0,0]=3 3089 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,1,0,0,0,0|2,0,0]=3 3090 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,1,0,0,0,0|2,0,0]=3 3091 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,1,0,0,0,0|2,0,0]=3 3092 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,1,0,0,0,0|2,0,1]=4 3093 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,1,0,0,0,0|2,0,0]=3 3094 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,1,0,0,0,0|2,0,0]=3 3095 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,1,0,0,0,0|2,0,0]=3 3096 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,1,0,0,0,0|2,0,0]=3 3097 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,1,0,0,0,0|2,0,0]=3 3098 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,1,0,0,0,0|2,0,0]=3 3099 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,1,0,0,0,0|2,0,0]=3 3100 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,1,0,0,0,0|2,0,0]=3 3101 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,1,0,0,0,0|3,0,0]=4 3102 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,1,0,0,0,0|2,0,1]=4 3104 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,1,0,0,0,0|2,0,0]=3 3105 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,1,0,0,0,0|2,0,0]=3 3106 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,1,0,0,0,0|2,0,0]=3 3107 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,1,0,0,0,0|2,0,0]=3 3108 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,1,0,0,0,0|2,0,0]=3 3109 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,1,0,0,0,0|2,0,0]=3 3110 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,1,0,0,0,0|2,0,0]=3 3111 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,1,0,0,0,0|2,0,1]=4 3112 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|2,0,1]=4 3113 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,1,0,0,0,0|2,0,0]=3 3114 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,1,0,0,0,0|2,0,0]=3 3115 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,1,0,0,0,0|2,0,0]=3 3116 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,1,0,0,0,0|2,0,0]=3 3117 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,1,0,0,0,0|2,0,0]=3 3118 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,1,0,0,0,0|2,0,0]=3 3119 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,1,0,0,0,0|2,0,0]=3 3120 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,1,0,0,0,0|2,0,0]=3 3121 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,1,0,0,0,0|2,0,0]=3 3122 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,1,0,0,0,0|2,0,0]=3 3123 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,1,0,0,0,0|2,0,0]=3 3124 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,1,0,0,0,0|2,0,1]=4 3125 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,1,0,0,0,0|2,0,1]=4 3126 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|2,0,1]=4 3127 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|2,0,1]=4 3128 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,1,0,0,0,0|2,0,0]=3 3129 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,1,0,0,0,0|2,0,0]=3 3130 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,1,0,0,0,0|2,0,0]=3 3131 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,1,0,0,0,0|2,0,0]=3 3132 B10R0.4 CC(C)CNCCCCC#N 2230a_100000210953_100000211819 [0,1,0,0,0,0|2,0,1]=4 3133 B10R0.4 CC(C)CNCCCCC#N 270004a_100000751965_100000210432 [0,1,0,0,0,0|2,0,1]=4 3134 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,1,0,0,0,0|2,0,1]=4 3135 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,1,0,0,0,0|2,0,0]=3 3136 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,1,0,0,0,0|2,0,0]=3 3137 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|2,0,0]=3 3138 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|2,0,0]=3 3139 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|2,0,0]=3 3140 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|2,0,0]=3 3141 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|2,0,0]=3 3142 B10R0.4 CC(C)CNCCOCCF 34a_100015185251_100011217306 [0,1,0,0,0,0|3,0,0]=4 3143 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,1,0,0,0,0|3,0,0]=4 3144 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,1,0,0,0,0|3,0,0]=4 3145 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,1,0,0,0,0|3,0,0]=4 3146 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,1,0,0,0,0|3,0,0]=4 3147 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,1,0,0,0,0|3,0,0]=4 3148 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,1,0,0,0,0|3,0,0]=4 3149 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,1,0,0,0,0|3,0,0]=4 3150 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,1,0,0,0,0|3,0,0]=4 3151 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,1,0,0,0,0|2,0,0]=3 3152 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,1,0,0,0,0|2,0,0]=3 3153 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,1,0,0,0,0|2,0,0]=3 3154 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,1,0,0,0,0|2,0,0]=3 3155 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,1,0,0,0,0|2,0,0]=3 3156 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,1,0,0,0,0|2,0,0]=3 3157 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,1,0,0,0,0|2,0,0]=3 3158 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,1,0,0,0,0|2,0,0]=3 3159 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|2,0,0]=3 3160 B10R0.4 CC(C)COCCCNCF 34a_100000205972_100015361967 [0,1,0,0,0,0|3,0,0]=4 3161 B10R0.4 CC(C)COCCOCCBr 34a_100000692535_100000210624 [0,1,0,0,0,0|3,0,0]=4 3162 B10R0.4 CC(C)COCCOCCBr 7a_100000692535_100000210760 [0,1,0,0,0,0|3,0,0]=4 3163 B10R0.4 CC(C)COCCOCCCl 34a_100011215305_100000210624 [0,1,0,0,0,0|3,0,0]=4 3164 B10R0.4 CC(C)COCCOCCCl 7a_100011215305_100000210760 [0,1,0,0,0,0|3,0,0]=4 3165 B10R0.4 CC(C)COCCOCCF 34a_100000703358_100011217306 [0,1,0,0,0,0|3,0,0]=4 3166 B10R0.4 CC(C)COCCOCCF 34a_200015357709_100000210624 [0,1,0,0,0,0|3,0,0]=4 3167 B10R0.4 CC(C)COCCOCCF 7a_100000703358_100011217306 [0,1,0,0,0,0|3,0,0]=4 3168 B10R0.4 CC(C)COCCOCCF 7a_200015357709_100000210760 [0,1,0,0,0,0|3,0,0]=4 3169 B10R0.4 CC(C)COCCOCCI 34a_100012149058_100000210624 [0,1,0,0,0,0|3,0,0]=4 3170 B10R0.4 CC(C)COCCOCCI 7a_100012149058_100000210760 [0,1,0,0,0,0|3,0,0]=4 3171 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [0,1,0,0,0,0|3,0,0]=4 3172 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,1,0,0,0,0|3,0,0]=4 3173 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,1,0,0,0,0|3,0,0]=4 3174 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,1,0,0,0,0|3,0,0]=4 3175 B10R0.4 CC(C)CSCCCCC#N 62a_100000210624_100000211819 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.4 CC(C)CSCCCCC#N 62a_100011219923_100000210760 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,1,0,0,0,0|2,0,1]=4 3179 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,1,0,0,0,0|2,0,0]=3 3180 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,1,0,0,0,0|2,0,0]=3 3181 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|2,0,0]=3 3182 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|2,0,0]=3 3183 B10R0.4 CC(C)CSCCOCCF 34a_200000230437_100011217306 [0,1,0,0,0,0|3,0,0]=4 3184 B10R0.4 CC(C)CSCCOCCF 7a_200000230437_100011217306 [0,1,0,0,0,0|3,0,0]=4 3185 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,1,0,0,0,0|3,0,0]=4 3186 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,1,0,0,0,0|3,0,0]=4 3187 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,1,0,0,0,0|3,0,0]=4 3188 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,1,0,0,0,0|3,0,0]=4 3189 B10R0.4 CC(C)NCCCCCC#N 2230a_100138425928_100009813376 [0,1,0,0,0,0|2,0,1]=4 3190 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,1,0,0,0,0|2,0,1]=4 3191 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,1,0,0,0,0|2,0,0]=3 3192 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,1,0,0,0,0|2,0,0]=3 3193 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|2,0,0]=3 3194 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|2,0,0]=3 3195 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|2,0,0]=3 3196 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|2,0,0]=3 3197 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,1,0,0,0,0|2,0,0]=3 3198 B10R0.4 CC(C)NCCCCOCF 34a_100011521146_100015361967 [0,1,0,0,0,0|3,0,0]=4 3199 B10R0.4 CC(C)NCCCOCCF 34a_100000182298_100011217306 [0,1,0,0,0,0|3,0,0]=4 3200 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,1,0,0,0,0|3,0,0]=4 3201 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [0,1,0,0,0,0|3,0,0]=4 3202 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,1,0,0,0,0|3,0,0]=4 3203 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,1,0,0,0,0|2,0,0]=3 3204 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,1,0,0,0,0|2,0,0]=3 3205 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,1,0,0,0,0|2,0,0]=3 3206 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,1,0,0,0,0|2,0,0]=3 3207 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,1,0,0,0,0|2,0,0]=3 3208 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,1,0,0,0,0|2,0,0]=3 3209 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,1,0,0,0,0|2,0,0]=3 3210 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,1,0,0,0,0|2,0,0]=3 3211 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,0,0,0,0|2,0,0]=3 3212 B10R0.4 CC(C)OCCCNCCF 2230a_100000737246_100011217306 [0,1,0,0,0,0|3,0,0]=4 3213 B10R0.4 CC(C)OCCCNCCF 34a_100000737246_100011217306 [0,1,0,0,0,0|3,0,0]=4 3214 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,1,0,0,0,0|3,0,0]=4 3215 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,1,0,0,0,0|3,0,0]=4 3216 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [0,1,0,0,0,0|3,0,0]=4 3217 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [0,1,0,0,0,0|3,0,0]=4 3218 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [0,1,0,0,0,0|3,0,0]=4 3219 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [0,1,0,0,0,0|3,0,0]=4 3220 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,1,0,0,0,0|3,0,0]=4 3221 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,1,0,0,0,0|3,0,0]=4 3222 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,1,0,0,0,0|3,0,0]=4 3223 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,1,0,0,0,0|3,0,0]=4 3224 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,1,0,0,0,0|3,0,0]=4 3225 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,1,0,0,0,0|3,0,0]=4 3226 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,1,0,0,0,0|3,0,0]=4 3227 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,1,0,0,0,0|3,0,0]=4 3228 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,1,0,0,0,0|3,0,0]=4 3229 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,1,0,0,0,0|3,0,0]=4 3230 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [0,1,0,0,0,0|3,0,0]=4 3231 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [0,1,0,0,0,0|3,0,0]=4 3232 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,1,0,0,0,0|3,0,0]=4 3233 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,1,0,0,0,0|3,0,0]=4 3234 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,1,0,0,0,0|3,0,0]=4 3235 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,1,0,0,0,0|3,0,0]=4 3236 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [0,1,0,0,0,0|3,0,0]=4 3237 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [0,1,0,0,0,0|3,0,0]=4 3238 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [0,1,0,0,0,0|3,0,0]=4 3239 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [0,1,0,0,0,0|3,0,0]=4 3240 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,1,0,0,0,0|3,0,0]=4 3241 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [0,1,0,0,0,0|3,0,0]=4 3242 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [0,1,0,0,0,0|3,0,0]=4 3243 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,1,0,0,0,0|3,0,0]=4 3244 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,1,0,0,0,0|3,0,0]=4 3245 B10R0.4 CC(C)SCCCCCC#N 62a_100000210206_100009813376 [0,1,0,0,0,0|2,0,1]=4 3246 B10R0.4 CC(C)SCCCCCC#N 62a_100009813376_100000210206 [0,1,0,0,0,0|2,0,1]=4 3247 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,1,0,0,0,0|2,0,1]=4 3248 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,1,0,0,0,0|2,0,1]=4 3249 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,1,0,0,0,0|2,0,0]=3 3250 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,1,0,0,0,0|2,0,0]=3 3251 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,1,0,0,0,0|2,0,0]=3 3252 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,1,0,0,0,0|2,0,0]=3 3253 B10R0.4 CC(C)SCCNCCCF 2230a_100000731138_100011934791 [0,1,0,0,0,0|3,0,0]=4 3254 B10R0.4 CC(C)SCCNCCCF 2230a_100015189416_100000730970 [0,1,0,0,0,0|3,0,0]=4 3255 B10R0.4 CC(C)SCCNCCCF 34a_100000731138_100011934791 [0,1,0,0,0,0|3,0,0]=4 3256 B10R0.4 CC(C)SCCNCCCF 34a_100015189416_100000730970 [0,1,0,0,0,0|3,0,0]=4 3257 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,1,0,0,0,0|3,0,0]=4 3258 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,1,0,0,0,0|3,0,0]=4 3259 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [0,1,0,0,0,0|3,0,0]=4 3260 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [0,1,0,0,0,0|3,0,0]=4 3261 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [0,1,0,0,0,0|3,0,0]=4 3262 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [0,1,0,0,0,0|3,0,0]=4 3263 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [0,1,0,0,0,0|3,0,0]=4 3265 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,1,0,0,0,0|3,0,0]=4 3266 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,1,0,0,0,0|3,0,0]=4 3267 B10R0.4 CC(C)SCCSCCCF 62a_100000730970_100011934791 [0,1,0,0,0,0|3,0,0]=4 3268 B10R0.4 CC(C)SCCSCCCF 62a_100011934791_100000730970 [0,1,0,0,0,0|3,0,0]=4 3269 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,1,0,0,0,0|3,0,0]=4 3270 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,1,0,0,0,0|3,0,0]=4 3271 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,1,0,0,0,0|2,0,0]=3 3272 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|2,0,0]=3 3273 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,1,0,0,0,0|3,0,0]=4 3274 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,1,0,0,0,0|1,0,0]=2 3275 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,1,0,0,0,0|1,0,0]=2 3276 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,1,0,0,0,0|1,0,0]=2 3277 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,1,0,0,0,0|1,0,0]=2 3278 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,1,0,0,0,0|1,0,0]=2 3279 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,1,0,0,0,0|1,0,0]=2 3280 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,1,0,0,0,0|2,0,0]=3 3281 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,1,0,0,0,0|1,0,1]=3 3282 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,1,0,0,0,0|1,0,1]=3 3283 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,1,0,0,0,0|1,0,0]=2 3284 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,1,0,0,0,0|1,0,0]=2 3285 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|1,0,0]=2 3286 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|1,0,0]=2 3287 B10R0.4 CC(O)CCCSCSC#N 62a_100000211825_200000718107 [0,1,0,0,0,0|2,0,1]=4 3288 B10R0.4 CC(O)CCCSCSC#N 62a_200000718107_100000211825 [0,1,0,0,0,0|2,0,1]=4 3289 B10R0.4 CC(O)CCNCC#CCO 2230a_200000755665_200000047223 [0,1,0,0,0,0|1,0,2]=4 3290 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,1,0,0,0,0|1,0,1]=3 3291 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|1,0,1]=3 3292 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,1,0,0,0,0|1,0,0]=2 3293 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|1,0,0]=2 3294 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|1,0,0]=2 3295 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,0]=2 3296 B10R0.4 CC(O)CCOCC#CCCl 34a_200000047223_100012276601 [0,1,0,0,0,0|1,0,2]=4 3297 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,1,0,0,0,0|1,0,0]=2 3298 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,1,0,0,0,0|1,0,0]=2 3299 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,1,0,0,0,0|1,0,0]=2 3300 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,1,0,0,0,0|1,0,0]=2 3301 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,1,0,0,0,0|1,0,0]=2 3302 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,1,0,0,0,0|1,0,0]=2 3303 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,0]=2 3304 B10R0.4 CC(O)CCSCC#CCO 62a_100012276601_200000047223 [0,1,0,0,0,0|1,0,2]=4 3305 B10R0.4 CC(O)CCSCC#CCO 62a_200000047223_100012276601 [0,1,0,0,0,0|1,0,2]=4 3306 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,1,0,0,0,0|1,0,1]=3 3307 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,1,0,0,0,0|1,0,1]=3 3308 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|1,0,1]=3 3309 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|1,0,1]=3 3310 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,1,0,0,0,0|1,0,0]=2 3311 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,1,0,0,0,0|1,0,0]=2 3312 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|1,0,0]=2 3313 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|1,0,0]=2 3314 B10R0.4 CC(O)CCSCCSC#N 62a_100000034367_100012276601 [0,1,0,0,0,0|2,0,1]=4 3315 B10R0.4 CC(O)CCSCCSC#N 62a_100012276601_100000034367 [0,1,0,0,0,0|2,0,1]=4 3316 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [0,1,0,0,0,0|1,0,1]=3 3317 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,1,0,0,0,0|1,0,1]=3 3318 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|1,0,0]=2 3319 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|1,0,0]=2 3320 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|1,0,0]=2 3321 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|1,0,0]=2 3322 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|1,0,0]=2 3323 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|1,0,0]=2 3324 B10R0.4 CC(O)CNCCCN=[N+]=[N-] 2230a_100000744732_100011218427 [0,1,0,0,0,0|3,0,0]=4 3325 B10R0.4 CC(O)CNCCOCC#N 2230a_100000210904_200000047693 [0,1,0,0,0,0|2,0,1]=4 3326 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,1,0,0,0,0|2,0,0]=3 3327 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,1,0,0,0,0|2,0,0]=3 3328 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|2,0,0]=3 3329 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,1,0,0,0,0|2,0,0]=3 3330 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,1,0,0,0,0|2,0,0]=3 3331 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|1,0,0]=2 3332 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|1,0,0]=2 3333 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|1,0,0]=2 3334 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|1,0,0]=2 3335 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|1,0,0]=2 3336 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|1,0,0]=2 3337 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|1,0,0]=2 3338 B10R0.4 CC(O)COCCOCCBr 34a_100000692535_100011218427 [0,1,0,0,0,0|2,0,0]=3 3339 B10R0.4 CC(O)COCCOCCBr 7a_100000692535_100011218427 [0,1,0,0,0,0|2,0,0]=3 3340 B10R0.4 CC(O)COCCOCCCl 34a_100011215305_100011218427 [0,1,0,0,0,0|2,0,0]=3 3341 B10R0.4 CC(O)COCCOCCCl 7a_100011215305_100011218427 [0,1,0,0,0,0|2,0,0]=3 3342 B10R0.4 CC(O)COCCOCCF 34a_200015357709_100011218427 [0,1,0,0,0,0|2,0,0]=3 3343 B10R0.4 CC(O)COCCOCCF 7a_200015357709_100011218427 [0,1,0,0,0,0|2,0,0]=3 3344 B10R0.4 CC(O)COCCOCCI 34a_100012149058_100011218427 [0,1,0,0,0,0|2,0,0]=3 3345 B10R0.4 CC(O)COCCOCCI 7a_100012149058_100011218427 [0,1,0,0,0,0|2,0,0]=3 3346 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,1,0,0,0,0|2,0,0]=3 3347 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [0,1,0,0,0,0|1,0,1]=3 3348 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [0,1,0,0,0,0|1,0,1]=3 3349 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,1,0,0,0,0|1,0,1]=3 3350 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,1,0,0,0,0|1,0,1]=3 3351 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|1,0,0]=2 3352 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|1,0,0]=2 3353 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|1,0,0]=2 3354 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|1,0,0]=2 3355 B10R0.4 CC(O)CSCCOCC#N 62a_100011218427_200000047693 [0,1,0,0,0,0|2,0,1]=4 3356 B10R0.4 CC(O)CSCCOCC#N 62a_200000047693_100011218427 [0,1,0,0,0,0|2,0,1]=4 3357 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,1,0,0,0,0|2,0,0]=3 3358 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,1,0,0,0,0|2,0,0]=3 3359 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,1,0,0,0,0|1,0,2]=4 3360 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,1,0,0,0,0|1,0,2]=4 3361 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [0,1,0,0,0,0|1,0,2]=4 3362 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [0,1,0,0,0,0|1,0,2]=4 3363 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,1,0,0,0,0|0,0,2]=3 3364 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,1,0,0,0,0|0,0,2]=3 3365 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [0,1,0,0,0,0|1,0,2]=4 3366 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [0,1,0,0,0,0|1,0,2]=4 3367 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [0,1,0,0,0,0|1,0,2]=4 3368 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [0,1,0,0,0,0|1,0,2]=4 3369 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [0,1,0,0,0,0|1,0,2]=4 3370 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,1,0,0,0,0|0,0,2]=3 3371 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,1,0,0,0,0|0,0,2]=3 3372 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [0,1,0,0,0,0|1,0,2]=4 3373 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [0,1,0,0,0,0|1,0,2]=4 3374 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,1,0,0,0,0|0,0,2]=3 3375 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,1,0,0,0,0|0,0,2]=3 3376 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [0,1,0,0,0,0|1,0,2]=4 3377 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [0,1,0,0,0,0|1,0,2]=4 3378 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,1,0,0,0,0|0,0,2]=3 3379 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,1,0,0,0,0|0,0,2]=3 3380 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,1,0,0,0,0|0,0,2]=3 3381 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,1,0,0,0,0|0,0,2]=3 3382 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,1,0,0,0,0|0,0,2]=3 3383 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,1,0,0,0,0|1,0,2]=4 3384 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,1,0,0,0,0|1,0,2]=4 3385 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,1,0,0,0,0|1,0,2]=4 3386 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,1,0,0,0,0|1,0,2]=4 3387 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,1,0,0,0,0|0,0,2]=3 3388 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,1,0,0,0,0|1,0,2]=4 3389 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,1,0,0,0,0|1,0,2]=4 3390 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,1,0,0,0,0|1,0,2]=4 3391 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,1,0,0,0,0|0,0,2]=3 3392 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,1,0,0,0,0|0,0,2]=3 3393 B10R0.4 CC=C=CCCOCC(C)O 34a_100011020354_100011218427 [0,1,0,0,0,0|0,0,3]=4 3394 B10R0.4 CC=C=CCCOC[C@@H](C)O 34a_100011020354_100009817552 [0,1,0,0,0,0|0,0,3]=4 3395 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,1,0,0,0,0|1,0,2]=4 3396 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,1,0,0,0,0|0,0,2]=3 3397 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,1,0,0,0,0|0,0,2]=3 3398 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,1,0,0,0,0|1,0,2]=4 3399 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,1,0,0,0,0|1,0,2]=4 3400 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,1,0,0,0,0|1,0,2]=4 3401 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,1,0,0,0,0|1,0,2]=4 3402 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,1,0,0,0,0|1,0,2]=4 3403 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,1,0,0,0,0|1,0,2]=4 3404 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|0,0,2]=3 3405 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|0,0,2]=3 3406 B10R0.4 CCC#CCCOCC(C)C 34a_100000036655_100000210624 [0,1,0,0,0,0|1,0,2]=4 3407 B10R0.4 CCC#CCCOCC(C)C 7a_100000036655_100000210760 [0,1,0,0,0,0|1,0,2]=4 3408 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [0,1,0,0,0,0|0,0,2]=3 3409 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [0,1,0,0,0,0|0,0,2]=3 3410 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [0,1,0,0,0,0|0,0,2]=3 3411 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [0,1,0,0,0,0|0,0,2]=3 3412 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [0,1,0,0,0,0|0,0,2]=3 3413 B10R0.4 CCC#CCOCCC(C)Br 34a_100009893172_100009813939 [0,1,0,0,0,0|1,0,2]=4 3414 B10R0.4 CCC#CCOCCC(C)C 34a_100000032950_100000210312 [0,1,0,0,0,0|1,0,2]=4 3415 B10R0.4 CCC#CCOCCC(C)C 34a_100000210254_100009813939 [0,1,0,0,0,0|1,0,2]=4 3416 B10R0.4 CCC#CCOCCC(C)C 7a_100000210254_100009813939 [0,1,0,0,0,0|1,0,2]=4 3417 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [0,1,0,0,0,0|0,0,2]=3 3418 B10R0.4 CCC#CCOCC[C@@H](C)N 34a_100000706166_100009813939 [0,1,0,0,0,0|1,0,2]=4 3419 B10R0.4 CCC#CCSCCC(C)C 62a_100000210312_100009813939 [0,1,0,0,0,0|1,0,2]=4 3420 B10R0.4 CCC#CCSCCC(C)C 62a_100009813939_100000210312 [0,1,0,0,0,0|1,0,2]=4 3421 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [0,1,0,0,0,0|0,0,2]=3 3422 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [0,1,0,0,0,0|0,0,2]=3 3423 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [0,1,0,0,0,0|1,0,2]=4 3424 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [0,1,0,0,0,0|1,0,2]=4 3425 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|0,0,2]=3 3426 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|0,0,2]=3 3427 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|0,0,2]=3 3428 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|0,0,2]=3 3429 B10R0.4 CCCC#CCCOC(C)C 34a_100000042726_100000210206 [0,1,0,0,0,0|1,0,2]=4 3430 B10R0.4 CCCC#CCCOC(C)C 7a_100000042726_100000210206 [0,1,0,0,0,0|1,0,2]=4 3431 B10R0.4 CCCC#CCOCC(C)C 34a_100000034806_100000210624 [0,1,0,0,0,0|1,0,2]=4 3432 B10R0.4 CCCC#CCOCC(C)C 7a_100000034806_100000210760 [0,1,0,0,0,0|1,0,2]=4 3433 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [0,1,0,0,0,0|0,0,2]=3 3434 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [0,1,0,0,0,0|0,0,2]=3 3435 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [0,1,0,0,0,0|0,0,2]=3 3436 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [0,1,0,0,0,0|0,0,2]=3 3437 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [0,1,0,0,0,0|1,0,2]=4 3438 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [0,1,0,0,0,0|1,0,2]=4 3439 B10R0.4 CCCCC#CCOC(C)C 34a_200000034558_100000210206 [0,1,0,0,0,0|1,0,2]=4 3440 B10R0.4 CCCCC#CCOC(C)C 7a_200000034558_100000210206 [0,1,0,0,0,0|1,0,2]=4 3441 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|0,0,3]=4 3442 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|0,0,3]=4 3443 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [0,1,0,0,0,0|1,0,1]=3 3444 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|0,0,3]=4 3445 B10R0.4 CCCCCC#CCN(C)C 2230a_100102631434_100009816472 [0,1,0,0,0,0|2,0,1]=4 3446 B10R0.4 CCCCCC#CCN(C)C 269982a_100102631434_100009816472 [0,1,0,0,0,0|2,0,1]=4 3447 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [0,1,0,0,0,0|2,0,1]=4 3448 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|0,0,3]=4 3449 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|0,0,3]=4 3450 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|0,0,2]=3 3451 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|0,0,2]=3 3452 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|0,0,2]=3 3453 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3454 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3455 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3456 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3457 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3458 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3459 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|0,0,2]=3 3460 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|0,0,2]=3 3461 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|0,0,2]=3 3462 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|0,0,2]=3 3463 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|1,0,0]=2 3464 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|1,0,0]=2 3465 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|1,0,0]=2 3466 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|1,0,0]=2 3467 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|1,0,0]=2 3468 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|1,0,0]=2 3469 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|1,0,0]=2 3470 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|1,0,0]=2 3471 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,2]=4 3472 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,2]=4 3473 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|1,0,1]=3 3474 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|1,0,0]=2 3475 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|1,0,0]=2 3476 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|1,0,0]=2 3477 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|1,0,0]=2 3478 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|0,0,0]=1 3479 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|0,0,0]=1 3480 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|0,0,0]=1 3481 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,1,0,0,0,0|2,0,0]=3 3482 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,1,0,0,0,0|2,0,0]=3 3483 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|0,0,0]=1 3484 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|0,0,2]=3 3485 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 3486 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 3487 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,2]=4 3488 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|1,0,0]=2 3489 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|1,0,0]=2 3490 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|1,0,0]=2 3491 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|1,0,0]=2 3492 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|1,0,0]=2 3493 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|0,0,0]=1 3494 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|0,0,0]=1 3495 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|2,0,0]=3 3496 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|2,0,0]=3 3497 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|2,0,0]=3 3498 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|1,0,0]=2 3499 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|1,0,0]=2 3500 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|0,0,0]=1 3501 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|0,0,0]=1 3502 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,0,0,0,0|2,0,1]=4 3503 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,2]=4 3504 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,2]=4 3505 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|1,0,2]=4 3506 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|1,0,2]=4 3507 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|1,0,0]=2 3508 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|1,0,0]=2 3509 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|0,0,0]=1 3510 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|0,0,0]=1 3511 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,1,0,0,0,0|2,0,0]=3 3512 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,1,0,0,0,0|2,0,0]=3 3513 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|0,0,0]=1 3514 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|0,0,0]=1 3515 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,0,0,0,0|2,0,1]=4 3516 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,1,0,0,0,0|1,0,2]=4 3517 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,1,0,0,0,0|1,0,2]=4 3518 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,2]=4 3519 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,1,0,0,0,0|1,0,0]=2 3520 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,1,0,0,0,0|1,0,0]=2 3521 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|0,0,0]=1 3522 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|0,0,0]=1 3523 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,1,0,0,0,0|2,0,0]=3 3524 B10R0.4 CCCCCNN=CC(C)C 4a_100000694160_100000210432 [0,1,0,0,0,0|2,0,1]=4 3525 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|2,0,1]=4 3526 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,1,0,0,0,0|1,0,2]=4 3527 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,1,0,0,0,0|1,0,2]=4 3528 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,1,0,0,0,0|1,0,2]=4 3529 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|0,0,2]=3 3530 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|0,0,2]=3 3531 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|0,0,2]=3 3532 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,2]=4 3533 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,2]=4 3534 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,2]=4 3535 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,2]=4 3536 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,1,0,0,0,0|1,0,0]=2 3537 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,1,0,0,0,0|1,0,0]=2 3538 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,1,0,0,0,0|1,0,0]=2 3539 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,1,0,0,0,0|1,0,0]=2 3540 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,1,0,0,0,0|1,0,0]=2 3541 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|0,0,0]=1 3542 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|0,0,0]=1 3543 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,1,0,0,0,0|2,0,0]=3 3544 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,1,0,0,0,0|2,0,0]=3 3545 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,1,0,0,0,0|1,0,0]=2 3546 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|1,0,2]=4 3547 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,1,0,0,0,0|2,0,0]=3 3548 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,1,0,0,0,0|1,0,2]=4 3549 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,1,0,0,0,0|1,0,2]=4 3550 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|0,0,2]=3 3551 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|0,0,2]=3 3552 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,2]=4 3553 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,2]=4 3554 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,1,0,0,0,0|1,0,0]=2 3555 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,1,0,0,0,0|1,0,0]=2 3556 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|0,0,0]=1 3557 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|0,0,0]=1 3558 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,1,0,0,0,0|2,0,0]=3 3559 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|1,0,2]=4 3560 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|1,0,2]=4 3561 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,1,0,0,0,0|2,0,0]=3 3562 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,1,0,0,0,0|2,0,0]=3 3563 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,1,0,0,0,0|1,0,2]=4 3564 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,1,0,0,0,0|1,0,2]=4 3565 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|0,0,2]=3 3566 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,2]=4 3567 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,2]=4 3568 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,1,0,0,0,0|1,0,0]=2 3569 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,1,0,0,0,0|1,0,0]=2 3570 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,1,0,0,0,0|1,0,0]=2 3571 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,1,0,0,0,0|1,0,0]=2 3572 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|0,0,0]=1 3573 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|0,0,0]=1 3574 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,1,0,0,0,0|2,0,0]=3 3575 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|1,0,1]=3 3576 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|1,0,2]=4 3577 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|1,0,2]=4 3578 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|1,0,2]=4 3579 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|1,0,2]=4 3580 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,1,0,0,0,0|2,0,0]=3 3581 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,1,0,0,0,0|2,0,0]=3 3582 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,1,0,0,0,0|2,0,0]=3 3584 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,1,0,0,0,0|2,0,0]=3 3585 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,1,0,0,0,0|2,0,0]=3 3586 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,1,0,0,0,0|2,0,0]=3 3588 B10R0.4 CCCCNN=CCC(C)C 4a_100025702795_100000185833 [0,1,0,0,0,0|2,0,1]=4 3589 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,0,0,0,0|1,0,2]=4 3590 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,0,0,0,0|1,0,2]=4 3591 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|0,0,2]=3 3592 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|0,0,2]=3 3593 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|0,0,2]=3 3594 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|0,0,2]=3 3595 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 3596 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 3597 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,1,0,0,0,0|1,0,0]=2 3598 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,1,0,0,0,0|1,0,0]=2 3599 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,1,0,0,0,0|1,0,0]=2 3600 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,1,0,0,0,0|1,0,0]=2 3601 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|0,0,0]=1 3602 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|0,0,0]=1 3603 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,1,0,0,0,0|2,0,0]=3 3604 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,0,0,0,0|2,0,1]=4 3605 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|1,0,2]=4 3606 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|1,0,2]=4 3607 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,1,0,0,0,0|2,0,0]=3 3608 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,1,0,0,0,0|2,0,0]=3 3609 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,1,0,0,0,0|2,0,0]=3 3610 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|1,0,2]=4 3611 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|1,0,2]=4 3612 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,1,0,0,0,0|2,0,0]=3 3613 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,1,0,0,0,0|2,0,0]=3 3614 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,1,0,0,0,0|2,0,0]=3 3615 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,1,0,0,0,0|2,0,0]=3 3616 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,1,0,0,0,0|2,0,0]=3 3617 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,1,0,0,0,0|2,0,0]=3 3618 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,1,0,0,0,0|2,0,0]=3 3619 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,1,0,0,0,0|2,0,0]=3 3620 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,1,0,0,0,0|2,0,0]=3 3621 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,1,0,0,0,0|2,0,0]=3 3622 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,1,0,0,0,0|2,0,0]=3 3623 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,1,0,0,0,0|2,0,0]=3 3624 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,1,0,0,0,0|2,0,0]=3 3625 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|2,0,1]=4 3626 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,1,0,0,0,0|2,0,0]=3 3627 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,1,0,0,0,0|2,0,0]=3 3628 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,1,0,0,0,0|1,0,0]=2 3629 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,1,0,0,0,0|1,0,0]=2 3630 B10R0.4 CCCCOCNCC(F)F 34a_100000765723_100011995733 [0,1,0,0,0,0|3,0,0]=4 3631 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|1,0,2]=4 3632 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,1,0,0,0,0|2,0,0]=3 3633 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,1,0,0,0,0|2,0,0]=3 3634 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,1,0,0,0,0|2,0,0]=3 3635 B10R0.4 CCCCOCOCC(F)F 34a_100000743014_100011995733 [0,1,0,0,0,0|3,0,0]=4 3636 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,1,0,0,0,0|2,0,0]=3 3637 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,1,0,0,0,0|2,0,0]=3 3638 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,1,0,0,0,0|2,0,0]=3 3639 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,1,0,0,0,0|2,0,0]=3 3640 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,1,0,0,0,0|1,0,0]=2 3641 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,1,0,0,0,0|1,0,0]=2 3642 B10R0.4 CCCCOCSCC(F)F 62a_100011934356_100011995733 [0,1,0,0,0,0|3,0,0]=4 3643 B10R0.4 CCCCOCSCC(F)F 62a_100011995733_100011934356 [0,1,0,0,0,0|3,0,0]=4 3644 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,1,0,0,0,0|1,0,0]=2 3645 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,1,0,0,0,0|1,0,0]=2 3646 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,1,0,0,0,0|1,0,2]=4 3647 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,1,0,0,0,0|1,0,2]=4 3648 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|0,0,2]=3 3649 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|0,0,2]=3 3650 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,2]=4 3651 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,2]=4 3652 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,1,0,0,0,0|1,0,0]=2 3653 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,1,0,0,0,0|1,0,0]=2 3654 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|0,0,0]=1 3655 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|0,0,0]=1 3656 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,1,0,0,0,0|2,0,0]=3 3657 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 3658 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 3659 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 3660 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|1,0,2]=4 3661 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|1,0,2]=4 3662 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|1,0,2]=4 3663 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,1,0,0,0,0|2,0,0]=3 3664 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|1,0,2]=4 3665 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|1,0,2]=4 3666 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,1,0,0,0,0|2,0,0]=3 3667 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,1,0,0,0,0|2,0,0]=3 3668 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,1,0,0,0,0|2,0,0]=3 3669 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,1,0,0,0,0|2,0,0]=3 3670 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,1,0,0,0,0|2,0,0]=3 3671 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,1,0,0,0,0|2,0,0]=3 3672 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,2]=4 3673 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|1,0,2]=4 3674 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,1,0,0,0,0|2,0,0]=3 3675 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,1,0,0,0,0|2,0,0]=3 3676 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,1]=4 3677 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,0,0,0,0|2,0,0]=3 3678 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|0,0,2]=3 3679 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 3680 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 3681 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|1,0,0]=2 3682 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|1,0,0]=2 3683 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|1,0,0]=2 3684 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,0,0,0,0|2,0,1]=4 3685 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,0,0,0,0|2,0,1]=4 3686 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 3687 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 3688 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|1,0,2]=4 3689 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|1,0,2]=4 3690 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,1,0,0,0,0|2,0,0]=3 3691 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,1,0,0,0,0|2,0,0]=3 3692 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,1,0,0,0,0|2,0,0]=3 3693 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|1,0,2]=4 3694 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,0,0,0,0|1,1,1]=4 3695 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|1,0,2]=4 3696 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|2,0,1]=4 3697 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,1,0,0,0,0|2,0,0]=3 3698 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,1,0,0,0,0|2,0,0]=3 3699 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,1,0,0,0,0|2,0,0]=3 3700 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,1,0,0,0,0|2,0,0]=3 3701 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,1,0,0,0,0|2,0,0]=3 3702 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,1,0,0,0,0|2,0,0]=3 3703 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|1,0,0]=2 3704 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|1,0,0]=2 3705 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|1,0,0]=2 3706 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|1,0,0]=2 3707 B10R0.4 CCCOCCNCC(F)F 2230a_100161115042_100011934356 [0,1,0,0,0,0|3,0,0]=4 3708 B10R0.4 CCCOCCNCC(F)F 34a_100000765723_100011215938 [0,1,0,0,0,0|3,0,0]=4 3709 B10R0.4 CCCOCCNCC(F)F 34a_100161115042_100011934356 [0,1,0,0,0,0|3,0,0]=4 3710 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|1,0,0]=2 3711 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|1,0,0]=2 3712 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|1,0,2]=4 3713 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,1,0,0,0,0|2,0,0]=3 3714 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,1,0,0,0,0|2,0,0]=3 3715 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,1,0,0,0,0|2,0,0]=3 3716 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,1,0,0,0,0|2,0,0]=3 3717 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,1,0,0,0,0|2,0,0]=3 3718 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,1,0,0,0,0|2,0,0]=3 3719 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,1,0,0,0,0|2,0,0]=3 3720 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|1,0,0]=2 3721 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|1,0,0]=2 3722 B10R0.4 CCCOCCOCC(F)F 34a_100000210258_200012177212 [0,1,0,0,0,0|3,0,0]=4 3723 B10R0.4 CCCOCCOCC(F)F 34a_100000704375_100000210303 [0,1,0,0,0,0|3,0,0]=4 3724 B10R0.4 CCCOCCOCC(F)F 34a_100000743014_100011215938 [0,1,0,0,0,0|3,0,0]=4 3725 B10R0.4 CCCOCCOCC(F)F 34a_100000752267_100011934356 [0,1,0,0,0,0|3,0,0]=4 3726 B10R0.4 CCCOCCOCC(F)F 7a_100000704375_100000210303 [0,1,0,0,0,0|3,0,0]=4 3727 B10R0.4 CCCOCCOCC(F)F 7a_100000752267_100011934356 [0,1,0,0,0,0|3,0,0]=4 3728 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,1,0,0,0,0|2,0,0]=3 3729 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,1,0,0,0,0|2,0,0]=3 3730 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|1,0,0]=2 3731 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|1,0,0]=2 3732 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,1,0,0,0,0|2,0,0]=3 3733 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,1,0,0,0,0|2,0,0]=3 3734 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,1,0,0,0,0|2,0,0]=3 3735 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,1,0,0,0,0|2,0,0]=3 3736 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|1,0,0]=2 3737 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|1,0,0]=2 3738 B10R0.4 CCCOCCSCC(F)F 62a_100011215938_100011934356 [0,1,0,0,0,0|3,0,0]=4 3739 B10R0.4 CCCOCCSCC(F)F 62a_100011934356_100011215938 [0,1,0,0,0,0|3,0,0]=4 3740 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|1,0,0]=2 3741 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|1,0,0]=2 3742 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,0,0,0,0|2,0,0]=3 3743 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,0,0,0,0|2,0,0]=3 3744 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|0,0,2]=3 3745 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|0,0,2]=3 3746 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|1,0,0]=2 3747 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|1,0,0]=2 3748 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,1,0,0,0,0|2,0,0]=3 3749 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|1,0,2]=4 3750 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|1,0,2]=4 3751 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,0,0,0,0|1,1,1]=4 3752 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,0,0,0,0|1,1,1]=4 3753 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|1,0,2]=4 3754 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|1,0,2]=4 3755 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [0,1,0,0,0,0|2,0,0]=3 3756 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [0,1,0,0,0,0|2,0,0]=3 3757 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|1,0,0]=2 3758 B10R0.4 CCCSCCNCC(F)F 2230a_100020603323_100011934356 [0,1,0,0,0,0|3,0,0]=4 3759 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|1,0,0]=2 3760 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,1,0,0,0,0|2,0,0]=3 3761 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,1,0,0,0,0|2,0,0]=3 3762 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|1,0,0]=2 3763 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|1,0,0]=2 3764 B10R0.4 CCCSCCOCC(F)F 34a_200000230433_100011934356 [0,1,0,0,0,0|3,0,0]=4 3765 B10R0.4 CCCSCCOCC(F)F 62a_100000210303_200012177212 [0,1,0,0,0,0|3,0,0]=4 3766 B10R0.4 CCCSCCOCC(F)F 62a_200012177212_100000210303 [0,1,0,0,0,0|3,0,0]=4 3767 B10R0.4 CCCSCCOCC(F)F 7a_200000230433_100011934356 [0,1,0,0,0,0|3,0,0]=4 3768 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|1,0,0]=2 3769 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|1,0,0]=2 3770 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,0,0,0,0|2,0,0]=3 3771 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,2]=4 3772 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|1,0,0]=2 3773 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|1,0,0]=2 3774 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|1,0,0]=2 3775 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 3776 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 3777 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|1,0,2]=4 3778 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,1,0,0,0,0|2,0,0]=3 3779 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,1,0,0,0,0|2,0,0]=3 3780 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,0,0,0,0|2,0,0]=3 3781 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 3782 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,2]=4 3783 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 3784 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|1,0,2]=4 3785 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|1,0,0]=2 3786 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|1,0,0]=2 3787 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|1,0,0]=2 3788 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,1,0,0,0,0|2,0,0]=3 3789 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|1,0,2]=4 3790 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|1,0,2]=4 3791 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|1,0,2]=4 3792 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|1,0,2]=4 3793 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|2,0,1]=4 3794 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,1,0,0,0,0|2,0,0]=3 3795 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,1,0,0,0,0|2,0,0]=3 3796 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,1,0,0,0,0|2,0,0]=3 3797 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,1,0,0,0,0|2,0,0]=3 3798 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,1,0,0,0,0|2,0,0]=3 3799 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,1,0,0,0,0|1,0,0]=2 3800 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,1,0,0,0,0|1,0,0]=2 3801 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,1,0,0,0,0|1,0,0]=2 3802 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,1,0,0,0,0|1,0,0]=2 3803 B10R0.4 CCOCCCNCC(F)F 2230a_100000210961_100011934356 [0,1,0,0,0,0|3,0,0]=4 3804 B10R0.4 CCOCCCNCC(F)F 34a_100000210961_100011934356 [0,1,0,0,0,0|3,0,0]=4 3805 B10R0.4 CCOCCCNCC(F)F 34a_100000765723_100012232248 [0,1,0,0,0,0|3,0,0]=4 3806 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,1,0,0,0,0|1,0,0]=2 3807 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,1,0,0,0,0|1,0,0]=2 3808 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|1,0,2]=4 3809 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,1,0,0,0,0|2,0,0]=3 3810 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,1,0,0,0,0|2,0,0]=3 3811 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,1,0,0,0,0|2,0,0]=3 3812 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,1,0,0,0,0|2,0,0]=3 3813 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,1,0,0,0,0|2,0,0]=3 3814 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|1,0,0]=2 3815 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|1,0,0]=2 3816 B10R0.4 CCOCCCOCC(F)F 34a_100000743014_100012232248 [0,1,0,0,0,0|3,0,0]=4 3817 B10R0.4 CCOCCCOCC(F)F 34a_100000757476_100011934356 [0,1,0,0,0,0|3,0,0]=4 3818 B10R0.4 CCOCCCOCC(F)F 7a_100000757476_100011934356 [0,1,0,0,0,0|3,0,0]=4 3819 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,1,0,0,0,0|2,0,0]=3 3820 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,1,0,0,0,0|2,0,0]=3 3821 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|1,0,0]=2 3822 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|1,0,0]=2 3823 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,1,0,0,0,0|2,0,0]=3 3824 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,1,0,0,0,0|2,0,0]=3 3825 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,1,0,0,0,0|1,0,0]=2 3826 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,1,0,0,0,0|1,0,0]=2 3827 B10R0.4 CCOCCCSCC(F)F 62a_100011934356_100012232248 [0,1,0,0,0,0|3,0,0]=4 3828 B10R0.4 CCOCCCSCC(F)F 62a_100012232248_100011934356 [0,1,0,0,0,0|3,0,0]=4 3829 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,1,0,0,0,0|1,0,0]=2 3830 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,1,0,0,0,0|1,0,0]=2 3831 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,1,0,0,0,0|2,0,0]=3 3832 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,1,0,0,0,0|2,0,0]=3 3833 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,1,0,0,0,0|2,0,0]=3 3834 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,1,0,0,0,0|1,0,0]=2 3835 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,1,0,0,0,0|1,0,0]=2 3836 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,1,0,0,0,0|1,0,0]=2 3837 B10R0.4 CCOCCNCOC(C)C 2230a_102516460346_100000709892 [0,1,0,0,0,0|3,0,0]=4 3838 B10R0.4 CCOCCNCOC(C)C 34a_102516460346_100000709892 [0,1,0,0,0,0|3,0,0]=4 3839 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|1,0,2]=4 3840 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|1,0,2]=4 3841 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|1,0,2]=4 3842 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|1,0,2]=4 3843 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,1,0,0,0,0|2,0,0]=3 3844 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,1,0,0,0,0|2,0,0]=3 3845 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,1,0,0,0,0|2,0,0]=3 3846 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,1,0,0,0,0|2,0,0]=3 3847 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,1,0,0,0,0|2,0,0]=3 3848 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,1,0,0,0,0|1,0,0]=2 3849 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,1,0,0,0,0|1,0,0]=2 3850 B10R0.4 CCOCCOCCC(F)F 34a_100103093639_100000210147 [0,1,0,0,0,0|3,0,0]=4 3851 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [0,1,0,0,0,0|3,0,0]=4 3852 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [0,1,0,0,0,0|3,0,0]=4 3853 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [0,1,0,0,0,0|3,0,0]=4 3854 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,1,0,0,0,0|2,0,0]=3 3855 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [0,1,0,0,0,0|3,0,0]=4 3856 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|1,0,2]=4 3857 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|1,0,2]=4 3858 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,1,0,0,0,0|2,0,0]=3 3859 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,1,0,0,0,0|2,0,0]=3 3860 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,1,0,0,0,0|1,0,0]=2 3861 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,1,0,0,0,0|1,0,0]=2 3862 B10R0.4 CCOCCSCCN(C)C 62a_100000210147_100000755713 [0,1,0,0,0,0|3,0,0]=4 3863 B10R0.4 CCOCCSCOC(C)C 62a_100000210147_100000709892 [0,1,0,0,0,0|3,0,0]=4 3864 B10R0.4 CCOCCSCOC(C)C 62a_100000709892_100011215890 [0,1,0,0,0,0|3,0,0]=4 3865 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|1,0,2]=4 3866 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|1,0,2]=4 3867 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,1,0,0,0,0|2,0,0]=3 3868 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,1,0,0,0,0|2,0,0]=3 3869 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,1,0,0,0,0|1,0,0]=2 3870 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,1,0,0,0,0|1,0,0]=2 3871 B10R0.4 CCOCSCCCN(C)C 62a_100000739092_100000757444 [0,1,0,0,0,0|3,0,0]=4 3872 B10R0.4 CCOCSCCOC(C)C 62a_100000211751_100000739092 [0,1,0,0,0,0|3,0,0]=4 3873 B10R0.4 CCOCSCCOC(C)C 62a_100000739092_100000211751 [0,1,0,0,0,0|3,0,0]=4 3874 B10R0.4 CCOCSCCSC(C)C 62a_100000730970_100000739092 [0,1,0,0,0,0|3,0,0]=4 3875 B10R0.4 CCOCSCCSC(C)C 62a_100000739092_100000730970 [0,1,0,0,0,0|3,0,0]=4 3876 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,0,0,0,0|2,0,0]=3 3877 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,0,0,0,0|2,0,0]=3 3878 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,2]=4 3879 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,2]=4 3880 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|1,0,0]=2 3881 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|1,0,0]=2 3882 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|1,0,2]=4 3883 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|1,0,2]=4 3884 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|1,0,2]=4 3885 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|1,0,2]=4 3886 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,1,0,0,0,0|2,0,0]=3 3887 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,1,0,0,0,0|2,0,0]=3 3888 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|1,0,0]=2 3889 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|1,0,0]=2 3890 B10R0.4 CCSCCCOCC(F)F 34a_100011216438_100011934356 [0,1,0,0,0,0|3,0,0]=4 3891 B10R0.4 CCSCCCOCC(F)F 7a_100011216438_100011934356 [0,1,0,0,0,0|3,0,0]=4 3892 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|1,0,0]=2 3893 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|1,0,0]=2 3894 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [0,1,0,0,0,0|2,0,0]=3 3895 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [0,1,0,0,0,0|2,0,0]=3 3896 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,1,0,0,0,0|1,0,0]=2 3897 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,1,0,0,0,0|1,0,0]=2 3898 B10R0.4 CCSCCNCOC(C)C 2230a_100000106463_100000709892 [0,1,0,0,0,0|3,0,0]=4 3899 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|1,0,2]=4 3900 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|1,0,2]=4 3901 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|1,0,2]=4 3902 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,1,0,0,0,0|2,0,0]=3 3903 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,1,0,0,0,0|2,0,0]=3 3904 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,1,0,0,0,0|2,0,0]=3 3905 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,1,0,0,0,0|2,0,0]=3 3906 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,1,0,0,0,0|2,0,0]=3 3907 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,1,0,0,0,0|1,0,0]=2 3908 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,1,0,0,0,0|1,0,0]=2 3909 B10R0.4 CCSCCOCCC(F)F 34a_100103093639_100000757381 [0,1,0,0,0,0|3,0,0]=4 3910 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [0,1,0,0,0,0|3,0,0]=4 3911 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,1,0,0,0,0|2,0,0]=3 3912 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [0,1,0,0,0,0|3,0,0]=4 3913 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|1,0,2]=4 3914 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|1,0,2]=4 3915 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [0,1,0,0,0,0|2,0,0]=3 3916 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [0,1,0,0,0,0|2,0,0]=3 3917 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,1,0,0,0,0|1,0,0]=2 3918 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,1,0,0,0,0|1,0,0]=2 3919 B10R0.4 CCSCCSCCN(C)C 62a_100000757381_100000755713 [0,1,0,0,0,0|3,0,0]=4 3920 B10R0.4 CCSCCSCOC(C)C 62a_100000709892_100000757381 [0,1,0,0,0,0|3,0,0]=4 3921 B10R0.4 CCSCCSCOC(C)C 62a_100000757381_100000709892 [0,1,0,0,0,0|3,0,0]=4 3922 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,1,0,0,0,0|2,0,1]=4 3923 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,1,0,0,0,0|2,0,1]=4 3924 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|2,0,0]=3 3925 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|2,0,0]=3 3926 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [0,1,0,0,0,0|3,0,0]=4 3927 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,1,0,0,0,0|3,0,0]=4 3928 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,1,0,0,0,0|3,0,0]=4 3929 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,1,0,0,0,0|3,0,0]=4 3930 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,1,0,0,0,0|3,0,0]=4 3931 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,1,0,0,0,0|3,0,0]=4 3932 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,1,0,0,0,0|3,0,0]=4 3933 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,1,0,0,0,0|3,0,0]=4 3934 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,1,0,0,0,0|2,0,0]=3 3935 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,1,0,0,0,0|2,0,0]=3 3936 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,1,0,0,0,0|2,0,0]=3 3937 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,1,0,0,0,0|1,0,0]=2 3938 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,1,0,0,0,0|1,0,0]=2 3939 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|1,0,2]=4 3940 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|1,0,2]=4 3941 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|1,0,2]=4 3942 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|1,0,2]=4 3943 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|1,0,2]=4 3944 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,1,0,0,0,0|2,0,0]=3 3945 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,1,0,0,0,0|2,0,0]=3 3946 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,1,0,0,0,0|1,0,0]=2 3947 B10R0.4 CNCCCOCOC(C)C 34a_100000213112_100000709892 [0,1,0,0,0,0|3,0,0]=4 3948 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [0,1,0,0,0,0|3,0,0]=4 3949 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,1,0,0,0,0|2,0,0]=3 3950 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|0,0,2]=3 3951 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,1,0,0,0,0|2,0,0]=3 3952 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,1,0,0,0,0|2,0,0]=3 3953 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 3954 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 3955 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 3956 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|1,0,2]=4 3957 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,1,0,0,0,0|2,0,0]=3 3958 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,1,0,0,0,0|2,0,0]=3 3959 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,1,0,0,0,0|2,0,0]=3 3960 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|1,0,2]=4 3961 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|2,0,1]=4 3962 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,1,0,0,0,0|2,0,0]=3 3963 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,1,0,0,0,0|2,0,0]=3 3964 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,1,0,0,0,0|1,0,0]=2 3965 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,1,0,0,0,0|1,0,0]=2 3966 B10R0.4 COCCCCNCC(F)F 34a_100000765723_100000755781 [0,1,0,0,0,0|3,0,0]=4 3967 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|1,0,2]=4 3968 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,1,0,0,0,0|2,0,0]=3 3969 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,1,0,0,0,0|2,0,0]=3 3970 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,1,0,0,0,0|2,0,0]=3 3971 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,1,0,0,0,0|2,0,0]=3 3972 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|1,0,0]=2 3973 B10R0.4 COCCCCOCC(F)F 34a_100000740925_100011934356 [0,1,0,0,0,0|3,0,0]=4 3974 B10R0.4 COCCCCOCC(F)F 34a_100000743014_100000755781 [0,1,0,0,0,0|3,0,0]=4 3975 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,1,0,0,0,0|2,0,0]=3 3976 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,1,0,0,0,0|2,0,0]=3 3977 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|1,0,0]=2 3978 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,1,0,0,0,0|2,0,0]=3 3979 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,1,0,0,0,0|2,0,0]=3 3980 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,1,0,0,0,0|1,0,0]=2 3981 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,1,0,0,0,0|1,0,0]=2 3982 B10R0.4 COCCCCSCC(F)F 62a_100000730899_100011934356 [0,1,0,0,0,0|3,0,0]=4 3983 B10R0.4 COCCCCSCC(F)F 62a_100011934356_100000730899 [0,1,0,0,0,0|3,0,0]=4 3984 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,1,0,0,0,0|1,0,0]=2 3985 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,1,0,0,0,0|1,0,0]=2 3986 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,1,0,0,0,0|2,0,0]=3 3987 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,1,0,0,0,0|2,0,0]=3 3988 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,1,0,0,0,0|1,0,0]=2 3989 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,1,0,0,0,0|1,0,0]=2 3990 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [0,1,0,0,0,0|3,0,0]=4 3991 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|1,0,2]=4 3992 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|1,0,2]=4 3993 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,1,0,0,0,0|2,0,0]=3 3994 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,1,0,0,0,0|2,0,0]=3 3995 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,1,0,0,0,0|2,0,0]=3 3996 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,1,0,0,0,0|2,0,0]=3 3997 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,1,0,0,0,0|1,0,0]=2 3998 B10R0.4 COCCCOCCC(F)F 34a_100103093639_100000740836 [0,1,0,0,0,0|3,0,0]=4 3999 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,1,0,0,0,0|2,0,0]=3 4000 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [0,1,0,0,0,0|3,0,0]=4 4001 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|1,0,2]=4 4002 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|1,0,2]=4 4003 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,1,0,0,0,0|2,0,0]=3 4004 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,1,0,0,0,0|2,0,0]=3 4005 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,1,0,0,0,0|1,0,0]=2 4006 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,1,0,0,0,0|1,0,0]=2 4007 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [0,1,0,0,0,0|3,0,0]=4 4008 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [0,1,0,0,0,0|3,0,0]=4 4009 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [0,1,0,0,0,0|3,0,0]=4 4010 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,1,0,0,0,0|2,0,0]=3 4011 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,1,0,0,0,0|2,0,0]=3 4012 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,1,0,0,0,0|2,0,0]=3 4013 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,1,0,0,0,0|1,0,0]=2 4014 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,1,0,0,0,0|2,0,1]=4 4015 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [0,1,0,0,0,0|3,0,0]=4 4016 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [0,1,0,0,0,0|3,0,0]=4 4017 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [0,1,0,0,0,0|3,0,0]=4 4018 B10R0.4 COCCNCCSC(C)C 2230a_100000209980_100000730970 [0,1,0,0,0,0|3,0,0]=4 4019 B10R0.4 COCCNCCSC(C)C 2230a_100000731138_100011201679 [0,1,0,0,0,0|3,0,0]=4 4020 B10R0.4 COCCNCCSC(C)C 34a_100000731138_100011201679 [0,1,0,0,0,0|3,0,0]=4 4021 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|1,0,2]=4 4022 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|1,0,2]=4 4023 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|1,0,2]=4 4024 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|1,0,2]=4 4025 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,1,0,0,0,0|2,0,0]=3 4026 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,1,0,0,0,0|2,0,0]=3 4027 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,1,0,0,0,0|2,0,0]=3 4028 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,1,0,0,0,0|1,0,0]=2 4029 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [0,1,0,0,0,0|3,0,0]=4 4030 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [0,1,0,0,0,0|3,0,0]=4 4031 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [0,1,0,0,0,0|3,0,0]=4 4032 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [0,1,0,0,0,0|3,0,0]=4 4033 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [0,1,0,0,0,0|3,0,0]=4 4034 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [0,1,0,0,0,0|3,0,0]=4 4035 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [0,1,0,0,0,0|3,0,0]=4 4036 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,1,0,0,0,0|3,0,0]=4 4037 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,1,0,0,0,0|3,0,0]=4 4038 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,1,0,0,0,0|3,0,0]=4 4039 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,1,0,0,0,0|3,0,0]=4 4040 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,1,0,0,0,0|3,0,0]=4 4041 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,1,0,0,0,0|3,0,0]=4 4042 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [0,1,0,0,0,0|3,0,0]=4 4043 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [0,1,0,0,0,0|3,0,0]=4 4044 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [0,1,0,0,0,0|3,0,0]=4 4046 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [0,1,0,0,0,0|3,0,0]=4 4047 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [0,1,0,0,0,0|3,0,0]=4 4048 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [0,1,0,0,0,0|2,0,0]=3 4049 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [0,1,0,0,0,0|3,0,0]=4 4050 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [0,1,0,0,0,0|3,0,0]=4 4051 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [0,1,0,0,0,0|2,0,0]=3 4052 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [0,1,0,0,0,0|2,0,0]=3 4053 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [0,1,0,0,0,0|2,0,0]=3 4054 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [0,1,0,0,0,0|2,0,0]=3 4055 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|1,0,2]=4 4056 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|1,0,2]=4 4057 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,1,0,0,0,0|2,0,0]=3 4058 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,1,0,0,0,0|2,0,0]=3 4059 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,1,0,0,0,0|1,0,0]=2 4060 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,1,0,0,0,0|1,0,0]=2 4061 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [0,1,0,0,0,0|3,0,0]=4 4062 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [0,1,0,0,0,0|3,0,0]=4 4063 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [0,1,0,0,0,0|3,0,0]=4 4064 B10R0.4 COCCSCCSC(C)C 62a_100000233755_100000730970 [0,1,0,0,0,0|3,0,0]=4 4065 B10R0.4 COCCSCCSC(C)C 62a_100000730970_100000233755 [0,1,0,0,0,0|3,0,0]=4 4066 B10R0.4 COCNCCCOC(C)C 2230a_100000737246_100000766300 [0,1,0,0,0,0|3,0,0]=4 4067 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,1,0,0,0,0|3,0,0]=4 4068 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,1,0,0,0,0|3,0,0]=4 4069 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|1,0,2]=4 4070 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|1,0,2]=4 4071 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,1,0,0,0,0|2,0,0]=3 4072 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,1,0,0,0,0|2,0,0]=3 4073 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [0,1,0,0,0,0|3,0,0]=4 4074 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|2,0,1]=4 4075 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|2,0,1]=4 4076 B10R0.4 CSCCC=NNCC(C)O 4a_200000730056_100000210997 [0,1,0,0,0,0|2,0,1]=4 4077 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,1,0,0,0,0|2,0,0]=3 4078 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,1,0,0,0,0|2,0,0]=3 4079 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|1,0,2]=4 4080 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|1,0,2]=4 4081 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,1,0,0,0,0|2,0,0]=3 4082 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,1,0,0,0,0|2,0,0]=3 4083 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|1,0,0]=2 4084 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|1,0,0]=2 4085 B10R0.4 CSCCCCOCC(F)F 34a_100011217163_100011934356 [0,1,0,0,0,0|3,0,0]=4 4086 B10R0.4 CSCCCCOCC(F)F 7a_100011217163_100011934356 [0,1,0,0,0,0|3,0,0]=4 4087 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|1,0,0]=2 4088 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|1,0,0]=2 4089 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,1,0,0,0,0|2,0,0]=3 4090 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,1,0,0,0,0|2,0,0]=3 4091 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,1,0,0,0,0|1,0,0]=2 4092 B10R0.4 CSCCCNCOC(C)C 2230a_100000749238_100000709892 [0,1,0,0,0,0|3,0,0]=4 4093 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|1,0,2]=4 4094 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,1,0,0,0,0|2,0,0]=3 4095 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,1,0,0,0,0|2,0,0]=3 4096 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,1,0,0,0,0|1,0,0]=2 4097 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,1,0,0,0,0|1,0,0]=2 4098 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [0,1,0,0,0,0|3,0,0]=4 4099 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [0,1,0,0,0,0|3,0,0]=4 4100 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,1,0,0,0,0|2,0,0]=3 4101 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,1,0,0,0,0|2,0,0]=3 4102 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,1,0,0,0,0|2,0,0]=3 4103 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,1,0,0,0,0|1,0,0]=2 4104 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,1,0,0,0,0|2,0,1]=4 4105 B10R0.4 CSCCNCCOC(C)C 2230a_100000701111_100000751147 [0,1,0,0,0,0|3,0,0]=4 4106 B10R0.4 CSCCNCCOC(C)C 2230a_100020590264_100000211751 [0,1,0,0,0,0|3,0,0]=4 4107 B10R0.4 CSCCNCCOC(C)C 34a_100000701111_100000212216 [0,1,0,0,0,0|3,0,0]=4 4108 B10R0.4 CSCCNCCSC(C)C 2230a_100000731138_100000751147 [0,1,0,0,0,0|3,0,0]=4 4109 B10R0.4 CSCCNCCSC(C)C 2230a_100020590264_100000730970 [0,1,0,0,0,0|3,0,0]=4 4110 B10R0.4 CSCCNCCSC(C)C 34a_100000731138_100000212216 [0,1,0,0,0,0|3,0,0]=4 4111 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|1,0,2]=4 4112 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|1,0,2]=4 4113 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|1,0,2]=4 4114 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|1,0,2]=4 4115 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,1,0,0,0,0|2,0,0]=3 4116 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,1,0,0,0,0|2,0,0]=3 4117 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,1,0,0,0,0|2,0,0]=3 4118 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,1,0,0,0,0|2,0,0]=3 4119 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,1,0,0,0,0|1,0,0]=2 4120 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,1,0,0,0,0|1,0,0]=2 4121 B10R0.4 CSCCOCCCN(C)C 7a_100000230434_100000757444 [0,1,0,0,0,0|3,0,0]=4 4122 B10R0.4 CSCCOCCNC(C)C 34a_100000224655_100000212216 [0,1,0,0,0,0|3,0,0]=4 4123 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,1,0,0,0,0|3,0,0]=4 4124 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,1,0,0,0,0|3,0,0]=4 4125 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,1,0,0,0,0|3,0,0]=4 4126 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,1,0,0,0,0|3,0,0]=4 4127 B10R0.4 CSCCOCCSC(C)C 34a_100000230434_100000730970 [0,1,0,0,0,0|3,0,0]=4 4128 B10R0.4 CSCCOCCSC(C)C 34a_200011212901_100000212216 [0,1,0,0,0,0|3,0,0]=4 4129 B10R0.4 CSCCOCCSC(C)C 7a_100000230434_100000730970 [0,1,0,0,0,0|3,0,0]=4 4130 B10R0.4 CSCCOCCSC(C)C 7a_200011212901_100000212216 [0,1,0,0,0,0|3,0,0]=4 4131 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|1,0,2]=4 4132 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|1,0,2]=4 4133 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,1,0,0,0,0|2,0,0]=3 4134 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,1,0,0,0,0|2,0,0]=3 4135 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,1,0,0,0,0|1,0,0]=2 4136 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,1,0,0,0,0|1,0,0]=2 4137 B10R0.4 CSCCSCCCN(C)C 62a_100000212216_100000757444 [0,1,0,0,0,0|3,0,0]=4 4138 B10R0.4 CSCCSCCOC(C)C 62a_100000211751_100000751147 [0,1,0,0,0,0|3,0,0]=4 4139 B10R0.4 CSCCSCCOC(C)C 62a_100000212216_100000211751 [0,1,0,0,0,0|3,0,0]=4 4140 B10R0.4 CSCCSCCSC(C)C 62a_100000212216_100000730970 [0,1,0,0,0,0|3,0,0]=4 4141 B10R0.4 CSCCSCCSC(C)C 62a_100000730970_100000751147 [0,1,0,0,0,0|3,0,0]=4 4142 B10R0.4 CSCNCCCOC(C)C 2230a_100000737246_100011218213 [0,1,0,0,0,0|3,0,0]=4 4143 B10R0.4 CSCNCCCOC(C)C 34a_100000737246_100011218213 [0,1,0,0,0,0|3,0,0]=4 4144 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,1,0,0,0,0|2,0,0]=3 4145 B10R0.4 CSCOCCCNC(C)C 34a_100000182298_100011218213 [0,1,0,0,0,0|3,0,0]=4 4146 B10R0.4 CSCOCCNCC(C)C 34a_100015185251_100011218213 [0,1,0,0,0,0|3,0,0]=4 4147 B10R0.4 CSCOCCOCC(C)C 34a_100000703358_100011218213 [0,1,0,0,0,0|3,0,0]=4 4148 B10R0.4 CSCOCCSCC(C)C 34a_200000230437_100011218213 [0,1,0,0,0,0|3,0,0]=4 4149 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,1,0,0,0,0|3,0,0]=4 4150 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,1,0,0,0,0|3,0,0]=4 4151 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|1,0,2]=4 4152 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|1,0,2]=4 4153 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,1,0,0,0,0|2,0,0]=3 4154 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,1,0,0,0,0|2,0,0]=3 4155 B10R0.4 CSCSCCCCN(C)C 62a_100011218213_100000690147 [0,1,0,0,0,0|3,0,0]=4 4156 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,1,0,0,0,0|2,0,0]=3 4157 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|2,0,0]=3 4158 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,1,0,0,0,0|3,0,0]=4 4159 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|2,0,0]=3 4160 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|2,0,0]=3 4161 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,1,0,0,0,0|2,0,0]=3 4162 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|2,0,0]=3 4163 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,1,0,0,0,0|3,0,0]=4 4164 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|1,0,0]=2 4165 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|1,0,0]=2 4166 B10R0.4 C[C@@H](O)CNCCCN=[N+]=[N-] 2230a_100000744732_100009817552 [0,1,0,0,0,0|3,0,0]=4 4167 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,1,0,0,0,0|2,0,0]=3 4168 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,1,0,0,0,0|2,0,0]=3 4169 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,1,0,0,0,0|2,0,0]=3 4170 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|1,0,0]=2 4171 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|1,0,0]=2 4172 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|1,0,0]=2 4173 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|1,0,0]=2 4174 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|1,0,0]=2 4175 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|1,0,0]=2 4176 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|1,0,0]=2 4177 B10R0.4 C[C@@H](O)COCCOCCBr 34a_100000692535_100009817552 [0,1,0,0,0,0|2,0,0]=3 4178 B10R0.4 C[C@@H](O)COCCOCCBr 7a_100000692535_100009817552 [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.4 C[C@@H](O)COCCOCCCl 34a_100011215305_100009817552 [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.4 C[C@@H](O)COCCOCCCl 7a_100011215305_100009817552 [0,1,0,0,0,0|2,0,0]=3 4181 B10R0.4 C[C@@H](O)COCCOCCF 34a_200015357709_100009817552 [0,1,0,0,0,0|2,0,0]=3 4182 B10R0.4 C[C@@H](O)COCCOCCF 7a_200015357709_100009817552 [0,1,0,0,0,0|2,0,0]=3 4183 B10R0.4 C[C@@H](O)COCCOCCI 34a_100012149058_100009817552 [0,1,0,0,0,0|2,0,0]=3 4184 B10R0.4 C[C@@H](O)COCCOCCI 7a_100012149058_100009817552 [0,1,0,0,0,0|2,0,0]=3 4185 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,1,0,0,0,0|2,0,0]=3 4186 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [0,1,0,0,0,0|1,0,1]=3 4187 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [0,1,0,0,0,0|1,0,1]=3 4188 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,1,0,0,0,0|1,0,1]=3 4189 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,1,0,0,0,0|1,0,1]=3 4190 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|1,0,0]=2 4191 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|1,0,0]=2 4192 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|1,0,0]=2 4193 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|1,0,0]=2 4194 B10R0.4 C[C@@H](O)CSCCOCC#N 62a_100009817552_200000047693 [0,1,0,0,0,0|2,0,1]=4 4195 B10R0.4 C[C@@H](O)CSCCOCC#N 62a_200000047693_100009817552 [0,1,0,0,0,0|2,0,1]=4 4196 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,1,0,0,0,0|2,0,0]=3 4197 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,1,0,0,0,0|2,0,0]=3 4198 B10R0.4 FC(F)COCCCCCBr 34a_100000746331_100011934356 [0,1,0,0,0,0|3,0,0]=4 4199 B10R0.4 FC(F)COCCCCCBr 7a_100000746331_100011934356 [0,1,0,0,0,0|3,0,0]=4 4200 B10R0.4 FC(F)COCCCCCCl 34a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 4201 B10R0.4 FC(F)COCCCCCCl 7a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 4202 B10R0.4 FC(F)COCCCCCI 34a_200012148887_100011934356 [0,1,0,0,0,0|3,0,0]=4 4203 B10R0.4 FC(F)COCCCCCI 7a_200012148887_100011934356 [0,1,0,0,0,0|3,0,0]=4 4204 B10R0.4 FCCCCCNCC(F)F 34a_100000765723_100000729378 [0,1,0,0,0,0|3,0,0]=4 4205 B10R0.4 FCCCCCOCC(F)F 34a_100000743014_100000729378 [0,1,0,0,0,0|3,0,0]=4 4206 B10R0.4 FCCCCCSCC(F)F 62a_100000729378_100011934356 [0,1,0,0,0,0|3,0,0]=4 4207 B10R0.4 FCCCCCSCC(F)F 62a_100011934356_100000729378 [0,1,0,0,0,0|3,0,0]=4 4208 B10R0.4 FCCCCOCCC(F)F 34a_100103093639_100000729493 [0,1,0,0,0,0|3,0,0]=4 4209 B10R0.4 NCCCCCOCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 4210 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,1,0,0,0,0|3,0,0]=4 4211 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|2,0,1]=4 4212 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|2,0,1]=4 4213 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,1,0,0,0,0|3,0,0]=4 4214 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,1,0,0,0,0|3,0,0]=4 4215 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,1,0,0,0,0|3,0,0]=4 4216 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,1,0,0,0,0|3,0,0]=4 4217 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,1,0,0,0,0|3,0,0]=4 4218 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,1,0,0,0,0|3,0,0]=4 4219 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 4220 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 4221 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [0,1,0,0,0,0|3,0,0]=4 4222 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [0,1,0,0,0,0|3,0,0]=4 4223 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 4224 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [0,1,0,0,0,0|3,0,0]=4 4225 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [0,1,0,0,0,0|3,0,0]=4 4226 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,1,0,0,0,0|3,0,0]=4 4227 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,1,0,0,0,0|3,0,0]=4 4228 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,1,0,0,0,0|3,0,0]=4 4229 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,1,0,0,0,0|3,0,0]=4 4230 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|0,0,2]=3 4231 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,1,0,0,0,0|2,0,0]=3 4232 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,1,0,0,0,0|2,0,0]=3 4233 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,1,0,0,0,0|0,0,3]=4 4234 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,1,0,0,0,0|0,0,3]=4 4235 B10R0.6 C#CCCCN(C)CC(C)O 2230a_100000227577_100000731252 [0,1,0,0,0,0|1,0,2]=4 4236 B10R0.6 C#CCCCN(C)CC(C)O 269982a_100000227577_100011215417 [0,1,0,0,0,0|1,0,2]=4 4237 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,0,0,0,0|1,0,2]=4 4238 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,1,0,0,0,0|2,0,1]=4 4239 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,1,0,0,0,0|2,0,1]=4 4240 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,1,0,0,0,0|2,0,1]=4 4241 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,1,0,0,0,0|2,0,1]=4 4242 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,1,0,0,0,0|0,0,3]=4 4243 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,1,0,0,0,0|0,0,3]=4 4244 B10R0.6 C=CCCCN(C)CC(C)O 2230a_100000227577_100011713584 [0,1,0,0,0,0|1,0,2]=4 4245 B10R0.6 C=CCCCN(C)CC(C)O 269982a_100000227577_100000757094 [0,1,0,0,0,0|1,0,2]=4 4246 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,1,0,0,0,0|2,0,1]=4 4247 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,1,0,0,0,0|2,0,1]=4 4248 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,1,0,0,0,0|2,0,1]=4 4249 B10R0.6 CC(C)CC(C)NCCCF 2230a_100000692259_100011934791 [0,1,0,0,0,0|3,0,0]=4 4250 B10R0.6 CC(C)CC(C)NCCCF 2230a_100015189416_100000731052 [0,1,0,0,0,0|3,0,0]=4 4251 B10R0.6 CC(C)CC(C)NCCCF 34a_100015189416_100000731052 [0,1,0,0,0,0|3,0,0]=4 4252 B10R0.6 CC(C)CC(C)NCCCO 2230a_100000692259_100000230001 [0,1,0,0,0,0|3,0,0]=4 4253 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [0,1,0,0,0,0|3,0,0]=4 4254 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [0,1,0,0,0,0|3,0,0]=4 4255 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [0,1,0,0,0,0|3,0,0]=4 4256 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [0,1,0,0,0,0|3,0,0]=4 4257 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [0,1,0,0,0,0|3,0,0]=4 4258 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [0,1,0,0,0,0|3,0,0]=4 4259 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [0,1,0,0,0,0|3,0,0]=4 4260 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [0,1,0,0,0,0|3,0,0]=4 4261 B10R0.6 CC(C)CC(C)SCCCF 62a_100000731052_100011934791 [0,1,0,0,0,0|3,0,0]=4 4262 B10R0.6 CC(C)CC(C)SCCCF 62a_100011934791_100000731052 [0,1,0,0,0,0|3,0,0]=4 4263 B10R0.6 CC(C)CC(C)SCCCO 62a_100000731052_100011215043 [0,1,0,0,0,0|3,0,0]=4 4264 B10R0.6 CC(C)CC(C)SCCCO 62a_100011215043_100000731052 [0,1,0,0,0,0|3,0,0]=4 4265 B10R0.6 CC(C)CN(C)CCCCF 2230a_100000747067_100000729493 [0,1,0,0,0,0|3,0,0]=4 4266 B10R0.6 CC(C)CN(C)CCCCF 269982a_100000747067_100000729493 [0,1,0,0,0,0|3,0,0]=4 4267 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000717598_100000210760 [0,1,0,0,0,0|3,0,0]=4 4268 B10R0.6 CC(C)CN(C)CCCCO 2230a_100000747067_100000210776 [0,1,0,0,0,0|3,0,0]=4 4269 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000717598_100000210624 [0,1,0,0,0,0|3,0,0]=4 4270 B10R0.6 CC(C)CN(C)CCCCO 269982a_100000747067_100000210776 [0,1,0,0,0,0|3,0,0]=4 4271 B10R0.6 CC(C)CN(C)CCCCO 270004a_100000717598_100000210432 [0,1,0,0,0,0|3,0,0]=4 4272 B10R0.6 CC(C)C[C@H](N)CCOCF 34a_100161151251_100015361967 [0,1,0,0,0,0|3,0,0]=4 4273 B10R0.6 CC(C)C[C@H](N)COCCF 34a_100011830311_100011217306 [0,1,0,0,0,0|3,0,0]=4 4274 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [0,1,0,0,0,0|3,0,0]=4 4275 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,1,0,0,0,0|1,0,2]=4 4276 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,1,0,0,0,0|1,0,1]=3 4277 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,1,0,0,0,0|2,0,1]=4 4278 B10R0.6 CC(O)CN(C)CCCC#N 2230a_100000227577_100000687738 [0,1,0,0,0,0|2,0,1]=4 4279 B10R0.6 CC(O)CN(C)CCCC#N 269982a_100000227577_100000687738 [0,1,0,0,0,0|2,0,1]=4 4280 B10R0.6 CC(O)CN(C)CCCC=O 2230a_100000227577_200011292268 [0,1,0,0,0,0|2,0,1]=4 4281 B10R0.6 CC(O)CN(C)CCCC=O 269982a_100000227577_200011292268 [0,1,0,0,0,0|2,0,1]=4 4282 B10R0.6 CC(O)CN(C)CCCCF 2230a_100000227577_100000729493 [0,1,0,0,0,0|2,0,0]=3 4283 B10R0.6 CC(O)CN(C)CCCCF 269982a_100000227577_100000729493 [0,1,0,0,0,0|2,0,0]=3 4284 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000227577_100000210776 [0,1,0,0,0,0|2,0,0]=3 4285 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000717598_100011218427 [0,1,0,0,0,0|2,0,0]=3 4286 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000227577_100000210776 [0,1,0,0,0,0|2,0,0]=3 4287 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000717598_100011218427 [0,1,0,0,0,0|2,0,0]=3 4288 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,1,0,0,0,0|0,0,3]=4 4289 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,1,0,0,0,0|0,0,3]=4 4290 B10R0.6 CC/C=C\CN(C)CC(C)O 2230a_100000227577_100103147603 [0,1,0,0,0,0|1,0,2]=4 4291 B10R0.6 CC/C=C\CN(C)CC(C)O 269982a_100000227577_100103147603 [0,1,0,0,0,0|1,0,2]=4 4292 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,1,0,0,0,0|0,0,3]=4 4293 B10R0.6 CCC#CCN(C)CC(C)O 2230a_100000227577_100009813939 [0,1,0,0,0,0|1,0,2]=4 4294 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,1,0,0,0,0|0,0,3]=4 4295 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,1,0,0,0,0|0,0,3]=4 4296 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,0|0,0,3]=4 4297 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,1,0,0,0,0|1,0,1]=3 4298 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,1,0,0,0,0|1,0,1]=3 4299 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,0|0,0,1]=2 4300 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,1,0,0,0,0|2,0,1]=4 4301 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,1,0,0,0,0|2,0,1]=4 4302 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,1,0,0,0,0|2,0,1]=4 4303 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,1,0,0,0,0|2,0,1]=4 4304 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,0|0,0,1]=2 4305 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,1,0,0,0,0|2,0,1]=4 4306 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,1,0,0,0,0|2,0,1]=4 4307 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,1,0,0,0,0|2,0,1]=4 4308 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,1,0,0,0,0|2,0,1]=4 4309 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,1,0,0,0,0|2,0,1]=4 4310 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 4311 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 4312 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 4313 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,0|1,0,2]=4 4314 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,1,0,0,0,0|2,0,0]=3 4315 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,1,0,0,0,0|2,0,0]=3 4316 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,1,0,0,0,0|2,0,0]=3 4317 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,1,0,0,0,0|2,0,0]=3 4318 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,1,0,0,0,0|2,0,0]=3 4319 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,1,0,0,0,0|2,0,0]=3 4320 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,1,0,0,0,0|2,0,0]=3 4321 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,1,0,0,0,0|2,0,0]=3 4322 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,0,0,0,0|2,0,1]=4 4323 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,1,0,0,0,0|2,0,0]=3 4324 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,1,0,0,0,0|2,0,0]=3 4325 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,1,0,0,0,0|2,0,0]=3 4326 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,1,0,0,0,0|2,0,0]=3 4327 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,1,0,0,0,0|2,0,0]=3 4328 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,1,0,0,0,0|1,0,0]=2 4329 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,1,0,0,0,0|1,0,0]=2 4330 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,1,0,0,0,0|1,0,0]=2 4331 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,1,0,0,0,0|1,0,0]=2 4332 B10R0.6 CCCCCN(C)CC(F)F 2230a_100000223495_100011934356 [0,1,0,0,0,0|3,0,0]=4 4333 B10R0.6 CCCCCN(C)CC(F)F 269982a_100000223495_100011934356 [0,1,0,0,0,0|3,0,0]=4 4334 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,1,0,0,0,0|1,0,0]=2 4335 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,1,0,0,0,0|1,0,0]=2 4336 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,1,0,0,0,0|2,0,1]=4 4337 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,1,0,0,0,0|2,0,1]=4 4338 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,1,0,0,0,0|2,0,1]=4 4339 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,1,0,0,0,0|2,0,1]=4 4340 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,1,0,0,0,0|1,0,1]=3 4341 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [0,1,0,0,0,0|2,0,0]=3 4342 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [0,1,0,0,0,0|2,0,0]=3 4343 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [0,1,0,0,0,0|2,0,0]=3 4344 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [0,1,0,0,0,0|2,0,0]=3 4345 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [0,1,0,0,0,0|2,0,0]=3 4346 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [0,1,0,0,0,0|2,0,0]=3 4347 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [0,1,0,0,0,0|2,0,0]=3 4348 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [0,1,0,0,0,0|2,0,0]=3 4349 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [0,1,0,0,0,0|2,0,0]=3 4350 B10R0.6 CCCCSC(C)CN(C)C 62a_100000210211_100020606517 [0,1,0,0,0,0|3,0,0]=4 4351 B10R0.6 CCCCSC(C)CN(C)C 62a_100020606517_100000210210 [0,1,0,0,0,0|3,0,0]=4 4352 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,0,0,0,0|2,0,1]=4 4353 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,1,0,0,0,0|2,0,1]=4 4354 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,1,0,0,0,0|2,0,1]=4 4355 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,1,0,0,0,0|1,0,1]=3 4356 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [0,1,0,0,0,0|2,0,0]=3 4357 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,1,0,0,0,0|2,0,1]=4 4358 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,1,0,0,0,0|1,0,1]=3 4359 B10R0.6 CCCSCC(C)CN(C)C 62a_100000210303_100015348159 [0,1,0,0,0,0|3,0,0]=4 4360 B10R0.6 CCCSCC(C)CN(C)C 62a_100015348159_100000210303 [0,1,0,0,0,0|3,0,0]=4 4361 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,1,0,0,0,0|2,0,1]=4 4362 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,1,0,0,0,0|2,0,1]=4 4363 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,1,0,0,0,0|1,0,1]=3 4364 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,1,0,0,0,0|1,0,1]=3 4365 B10R0.6 CCOCCN(C)CC(C)C 2230a_100000747067_100011215890 [0,1,0,0,0,0|3,0,0]=4 4366 B10R0.6 CCOCCN(C)CC(C)C 269982a_100000747067_100011215890 [0,1,0,0,0,0|3,0,0]=4 4367 B10R0.6 CCOCCN(C)CC(C)O 2230a_100000227577_100011215890 [0,1,0,0,0,0|2,0,0]=3 4368 B10R0.6 CCOCCN(C)CC(C)O 269982a_100000227577_100011215890 [0,1,0,0,0,0|2,0,0]=3 4369 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [0,1,0,0,0,0|2,0,0]=3 4370 B10R0.6 CCOCSC(C)CC(C)C 62a_100000731052_100000739092 [0,1,0,0,0,0|3,0,0]=4 4371 B10R0.6 CCOCSC(C)CC(C)C 62a_100000739092_100000731052 [0,1,0,0,0,0|3,0,0]=4 4372 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,1,0,0,0,0|2,0,1]=4 4373 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,1,0,0,0,0|2,0,1]=4 4374 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,0|1,0,1]=3 4375 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,0|1,0,1]=3 4376 B10R0.6 CCSCCN(C)CC(C)C 2230a_100000747067_100000757381 [0,1,0,0,0,0|3,0,0]=4 4377 B10R0.6 CCSCCN(C)CC(C)C 269982a_100000747067_100000757381 [0,1,0,0,0,0|3,0,0]=4 4378 B10R0.6 CCSCCN(C)CC(C)O 2230a_100000227577_100000757381 [0,1,0,0,0,0|2,0,0]=3 4379 B10R0.6 CCSCCN(C)CC(C)O 269982a_100000227577_100000757381 [0,1,0,0,0,0|2,0,0]=3 4380 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,1,0,0,0,0|2,0,1]=4 4381 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,1,0,0,0,0|2,0,1]=4 4382 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,1,0,0,0,0|1,0,1]=3 4383 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,1,0,0,0,0|1,0,1]=3 4384 B10R0.6 COCCCC(C)OC(C)C 34a_200011539412_100000210206 [0,1,0,0,0,0|3,0,0]=4 4385 B10R0.6 COCCCC(C)OC(C)C 7a_200011539412_100000210206 [0,1,0,0,0,0|3,0,0]=4 4386 B10R0.6 COCCCN(C)CC(C)C 2230a_100000224831_100000210760 [0,1,0,0,0,0|3,0,0]=4 4387 B10R0.6 COCCCN(C)CC(C)C 2230a_100000747067_100000740836 [0,1,0,0,0,0|3,0,0]=4 4388 B10R0.6 COCCCN(C)CC(C)C 269982a_100000224831_100000210624 [0,1,0,0,0,0|3,0,0]=4 4389 B10R0.6 COCCCN(C)CC(C)C 269982a_100000747067_100000740836 [0,1,0,0,0,0|3,0,0]=4 4390 B10R0.6 COCCCN(C)CC(C)C 270004a_100000224831_100000210432 [0,1,0,0,0,0|3,0,0]=4 4391 B10R0.6 COCCCN(C)CC(C)O 2230a_100000224831_100011218427 [0,1,0,0,0,0|2,0,0]=3 4392 B10R0.6 COCCCN(C)CC(C)O 2230a_100000227577_100000740836 [0,1,0,0,0,0|2,0,0]=3 4393 B10R0.6 COCCCN(C)CC(C)O 269982a_100000224831_100011218427 [0,1,0,0,0,0|2,0,0]=3 4394 B10R0.6 COCCCN(C)CC(C)O 269982a_100000227577_100000740836 [0,1,0,0,0,0|2,0,0]=3 4395 B10R0.6 COCCCN(C)C[C@@H](C)O 2230a_100000224831_100009817552 [0,1,0,0,0,0|2,0,0]=3 4396 B10R0.6 COCCCN(C)C[C@@H](C)O 269982a_100000224831_100009817552 [0,1,0,0,0,0|2,0,0]=3 4397 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,1,0,0,0,0|2,0,1]=4 4398 B10R0.6 COCCNC(C)CC(C)C 2230a_100000209980_100000731052 [0,1,0,0,0,0|3,0,0]=4 4399 B10R0.6 COCCNC(C)CC(C)C 2230a_100000692259_100011201679 [0,1,0,0,0,0|3,0,0]=4 4400 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [0,1,0,0,0,0|3,0,0]=4 4401 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [0,1,0,0,0,0|3,0,0]=4 4402 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [0,1,0,0,0,0|3,0,0]=4 4403 B10R0.6 COCCSC(C)CC(C)C 62a_100000233755_100000731052 [0,1,0,0,0,0|3,0,0]=4 4404 B10R0.6 COCCSC(C)CC(C)C 62a_100000731052_100000233755 [0,1,0,0,0,0|3,0,0]=4 4405 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,1,0,0,0,0|2,0,1]=4 4406 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,0|1,0,1]=3 4407 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,1,0,0,0,0|2,0,1]=4 4408 B10R0.6 CSCCNC(C)CC(C)C 2230a_100000692259_100000751147 [0,1,0,0,0,0|3,0,0]=4 4409 B10R0.6 CSCCNC(C)CC(C)C 2230a_100020590264_100000731052 [0,1,0,0,0,0|3,0,0]=4 4410 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [0,1,0,0,0,0|3,0,0]=4 4411 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [0,1,0,0,0,0|3,0,0]=4 4412 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [0,1,0,0,0,0|3,0,0]=4 4413 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [0,1,0,0,0,0|3,0,0]=4 4414 B10R0.6 CSCCSC(C)CC(C)C 62a_100000212216_100000731052 [0,1,0,0,0,0|3,0,0]=4 4415 B10R0.6 CSCCSC(C)CC(C)C 62a_100000731052_100000751147 [0,1,0,0,0,0|3,0,0]=4 4416 B10R0.6 CSCOC[C@@H](N)CC(C)C 34a_100011830311_100011218213 [0,1,0,0,0,0|3,0,0]=4 4417 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,1,0,0,0,0|1,0,2]=4 4418 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,1,0,0,0,0|1,0,1]=3 4419 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,1,0,0,0,0|1,0,1]=3 4420 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,1,0,0,0,0|2,0,1]=4 4421 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,1,0,0,0,0|2,0,1]=4 4422 B10R0.6 C[C@@H](O)CN(C)CCCCO 2230a_100000717598_100009817552 [0,1,0,0,0,0|2,0,0]=3 4423 B10R0.6 C[C@@H](O)CN(C)CCCCO 269982a_100000717598_100009817552 [0,1,0,0,0,0|2,0,0]=3 4424 B10R0.22 C#CCCCNCC(C)(C)O 2230a_100000751335_100000731252 [0,1,0,0,0,0|1,0,2]=4 4425 B10R0.22 C#CCCCNCC(C)(C)O 34a_100000718082_100000764493 [0,1,0,0,0,0|1,0,2]=4 4426 B10R0.22 C#CCCCOCC(C)(C)O 34a_100000215630_100000764493 [0,1,0,0,0,0|1,0,2]=4 4427 B10R0.22 C#CCCCOCC(C)(C)O 7a_100000215630_100000764493 [0,1,0,0,0,0|1,0,2]=4 4428 B10R0.22 C#CCCCSCC(C)(C)O 62a_100000764493_100011215417 [0,1,0,0,0,0|1,0,2]=4 4429 B10R0.22 C#CCCCSCC(C)(C)O 62a_100011215417_100000764493 [0,1,0,0,0,0|1,0,2]=4 4430 B10R0.22 C#CCCNCCC(C)(C)O 34a_100000755551_100000702414 [0,1,0,0,0,0|1,0,2]=4 4431 B10R0.22 C#CCCOCCC(C)(C)O 34a_100011215631_100000702414 [0,1,0,0,0,0|1,0,2]=4 4432 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000688953_100000702414 [0,1,0,0,0,0|1,0,2]=4 4433 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000702414_100000688953 [0,1,0,0,0,0|1,0,2]=4 4434 B10R0.22 C#CCNCCCC(C)(C)O 34a_100000212058_100009888830 [0,1,0,0,0,0|1,0,2]=4 4435 B10R0.22 C#CCOCCCC(C)(C)O 34a_100000210247_100009888830 [0,1,0,0,0,0|1,0,2]=4 4436 B10R0.22 C#CCSCCCC(C)(C)O 62a_100000038162_100009888830 [0,1,0,0,0,0|1,0,2]=4 4437 B10R0.22 C/C=C/CCOCC(C)(C)O 34a_100016278192_100000764493 [0,1,0,0,0,0|1,0,2]=4 4438 B10R0.22 C/C=C/COCCC(C)(C)O 34a_100016270725_100000702414 [0,1,0,0,0,0|1,0,2]=4 4439 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100000702414_100102629194 [0,1,0,0,0,0|1,0,2]=4 4440 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100102629194_100000702414 [0,1,0,0,0,0|1,0,2]=4 4441 B10R0.22 C=CCCCNCC(C)(C)O 2230a_100000751335_100011713584 [0,1,0,0,0,0|1,0,2]=4 4442 B10R0.22 C=CCCCNCC(C)(C)O 34a_100000700776_100000764493 [0,1,0,0,0,0|1,0,2]=4 4443 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [0,1,0,0,0,0|1,0,2]=4 4444 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [0,1,0,0,0,0|1,0,2]=4 4445 B10R0.22 C=CCCCSCC(C)(C)O 62a_100000764493_100000757094 [0,1,0,0,0,0|1,0,2]=4 4446 B10R0.22 C=CCCCSCC(C)(C)O 62a_100011713584_100000764493 [0,1,0,0,0,0|1,0,2]=4 4447 B10R0.22 C=CCCNCCC(C)(C)O 2230a_100015191253_100000702414 [0,1,0,0,0,0|1,0,2]=4 4448 B10R0.22 C=CCCOCCC(C)(C)O 34a_100011205117_100000702414 [0,1,0,0,0,0|1,0,2]=4 4449 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000702414_100000754431 [0,1,0,0,0,0|1,0,2]=4 4450 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000754431_100000702414 [0,1,0,0,0,0|1,0,2]=4 4451 B10R0.22 C=CCNCCCC(C)(C)O 2230a_100020586998_100009888830 [0,1,0,0,0,0|1,0,2]=4 4452 B10R0.22 C=CCOCCCC(C)(C)O 34a_200000210373_100009888830 [0,1,0,0,0,0|1,0,2]=4 4453 B10R0.22 C=CCSCCCC(C)(C)O 62a_100000210623_100009888830 [0,1,0,0,0,0|1,0,2]=4 4454 B10R0.22 C=CCSCCCC(C)(C)O 62a_100009888830_100000210623 [0,1,0,0,0,0|1,0,2]=4 4455 B10R0.22 CC#CCCOCC(C)(C)O 34a_100000750427_100000764493 [0,1,0,0,0,0|1,0,2]=4 4456 B10R0.22 CC#CCNCCC(C)(C)O 2230a_100000685387_100000702414 [0,1,0,0,0,0|1,0,2]=4 4457 B10R0.22 CC#CCNCCC(C)(C)O 34a_100000685387_100000702414 [0,1,0,0,0,0|1,0,2]=4 4458 B10R0.22 CC#CCOCCC(C)(C)O 34a_100000761923_100000702414 [0,1,0,0,0,0|1,0,2]=4 4459 B10R0.22 CC#CCSCCC(C)(C)O 62a_100000702414_100000748600 [0,1,0,0,0,0|1,0,2]=4 4460 B10R0.22 CC#CCSCCC(C)(C)O 62a_100000748600_100000702414 [0,1,0,0,0,0|1,0,2]=4 4461 B10R0.22 CC(C)(C)CCNCCCF 2230a_100000738805_100011934791 [0,1,0,0,0,0|3,0,0]=4 4462 B10R0.22 CC(C)(C)CCNCCCF 2230a_100015189416_100000755188 [0,1,0,0,0,0|3,0,0]=4 4463 B10R0.22 CC(C)(C)CCNCCCF 34a_100015189416_100000755188 [0,1,0,0,0,0|3,0,0]=4 4464 B10R0.22 CC(C)(C)CCNCCCO 2230a_100000738805_100000230001 [0,1,0,0,0,0|3,0,0]=4 4465 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [0,1,0,0,0,0|3,0,0]=4 4466 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [0,1,0,0,0,0|3,0,0]=4 4467 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [0,1,0,0,0,0|3,0,0]=4 4468 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [0,1,0,0,0,0|3,0,0]=4 4469 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [0,1,0,0,0,0|3,0,0]=4 4470 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [0,1,0,0,0,0|3,0,0]=4 4471 B10R0.22 CC(C)(C)CCSCCCF 62a_100000755188_100011934791 [0,1,0,0,0,0|3,0,0]=4 4472 B10R0.22 CC(C)(C)CCSCCCF 62a_100011934791_100000755188 [0,1,0,0,0,0|3,0,0]=4 4473 B10R0.22 CC(C)(C)CCSCCCO 62a_100000755188_100011215043 [0,1,0,0,0,0|3,0,0]=4 4474 B10R0.22 CC(C)(C)CCSCCCO 62a_100011215043_100000755188 [0,1,0,0,0,0|3,0,0]=4 4475 B10R0.22 CC(C)(C)CNCCCCF 2230a_100000743828_100000729493 [0,1,0,0,0,0|3,0,0]=4 4476 B10R0.22 CC(C)(C)CNCCCCO 2230a_100000743828_100000210776 [0,1,0,0,0,0|3,0,0]=4 4477 B10R0.22 CC(C)(C)CNCCCCO 270004a_100000750430_100011204126 [0,1,0,0,0,0|3,0,0]=4 4478 B10R0.22 CC(C)(C)CNCCCCO 34a_100000750430_100011219605 [0,1,0,0,0,0|3,0,0]=4 4479 B10R0.22 CC(C)(C)COCCCCBr 34a_100011216708_100011219605 [0,1,0,0,0,0|3,0,0]=4 4480 B10R0.22 CC(C)(C)COCCCCCl 34a_100000210776_100011219605 [0,1,0,0,0,0|3,0,0]=4 4481 B10R0.22 CC(C)(C)COCCCCF 34a_100011995726_100011219605 [0,1,0,0,0,0|3,0,0]=4 4482 B10R0.22 CC(C)(C)COCCCCI 34a_200012148704_100011219605 [0,1,0,0,0,0|3,0,0]=4 4483 B10R0.22 CC(C)(C)COCCCCN 34a_100000750430_100011219605 [0,1,0,0,0,0|3,0,0]=4 4484 B10R0.22 CC(C)(C)CSCCCCF 62a_100000729493_100011219605 [0,1,0,0,0,0|3,0,0]=4 4485 B10R0.22 CC(C)(C)CSCCCCF 62a_100011219605_100000729493 [0,1,0,0,0,0|3,0,0]=4 4486 B10R0.22 CC(C)(C)CSCCCCO 62a_100000210776_100011219605 [0,1,0,0,0,0|3,0,0]=4 4487 B10R0.22 CC(C)(C)CSCCCCO 62a_100011219605_100000210776 [0,1,0,0,0,0|3,0,0]=4 4488 B10R0.22 CC(C)(C)NCCCCCF 2230a_100000715429_100000729378 [0,1,0,0,0,0|3,0,0]=4 4489 B10R0.22 CC(C)(C)NCCCCCO 2230a_100000715429_100000746330 [0,1,0,0,0,0|3,0,0]=4 4490 B10R0.22 CC(C)(C)NCCCCCO 34a_100000762737_100000210625 [0,1,0,0,0,0|3,0,0]=4 4491 B10R0.22 CC(C)(C)OCCCCCBr 34a_100000746331_100000210625 [0,1,0,0,0,0|3,0,0]=4 4492 B10R0.22 CC(C)(C)OCCCCCCl 34a_100000746330_100000210625 [0,1,0,0,0,0|3,0,0]=4 4493 B10R0.22 CC(C)(C)OCCCCCF 34a_100015890283_100000729378 [0,1,0,0,0,0|3,0,0]=4 4494 B10R0.22 CC(C)(C)OCCCCCF 7a_100015890283_100000729378 [0,1,0,0,0,0|3,0,0]=4 4495 B10R0.22 CC(C)(C)OCCCCCI 34a_200012148887_100000210625 [0,1,0,0,0,0|3,0,0]=4 4496 B10R0.22 CC(C)(C)OCCCCCN 34a_100000762737_100000210625 [0,1,0,0,0,0|3,0,0]=4 4497 B10R0.22 CC(C)(C)OCCCCCO 34a_100015890283_100000746330 [0,1,0,0,0,0|3,0,0]=4 4498 B10R0.22 CC(C)(C)OCCCCCO 7a_100015890283_100000746330 [0,1,0,0,0,0|3,0,0]=4 4499 B10R0.22 CC(C)(C)SCCCCCF 62a_100000211941_100000729378 [0,1,0,0,0,0|3,0,0]=4 4500 B10R0.22 CC(C)(C)SCCCCCF 62a_100000729378_100000211941 [0,1,0,0,0,0|3,0,0]=4 4501 B10R0.22 CC(C)(C)SCCCCCO 62a_100000211941_100000746330 [0,1,0,0,0,0|3,0,0]=4 4502 B10R0.22 CC(C)(C)SCCCCCO 62a_100000746330_100000211941 [0,1,0,0,0,0|3,0,0]=4 4503 B10R0.22 CC(C)(F)CCNCCCF 2230a_100016253952_100011934791 [0,1,0,0,0,0|3,0,0]=4 4504 B10R0.22 CC(C)(F)CCNCCCO 2230a_100016253952_100000230001 [0,1,0,0,0,0|3,0,0]=4 4505 B10R0.22 CC(C)(F)CNCCCCF 2230a_100020643315_100000729493 [0,1,0,0,0,0|3,0,0]=4 4506 B10R0.22 CC(C)(F)CNCCCCO 2230a_100020643315_100000210776 [0,1,0,0,0,0|3,0,0]=4 4507 B10R0.22 CC(C)(F)CNCCCCO 34a_100000750430_100011997219 [0,1,0,0,0,0|3,0,0]=4 4508 B10R0.22 CC(C)(F)COCCCCBr 34a_100011216708_100011997219 [0,1,0,0,0,0|3,0,0]=4 4509 B10R0.22 CC(C)(F)COCCCCCl 34a_100000210776_100011997219 [0,1,0,0,0,0|3,0,0]=4 4510 B10R0.22 CC(C)(F)COCCCCF 34a_100000716592_100000729493 [0,1,0,0,0,0|3,0,0]=4 4511 B10R0.22 CC(C)(F)COCCCCF 34a_100011995726_100011997219 [0,1,0,0,0,0|3,0,0]=4 4512 B10R0.22 CC(C)(F)COCCCCI 34a_200012148704_100011997219 [0,1,0,0,0,0|3,0,0]=4 4513 B10R0.22 CC(C)(F)COCCCCN 34a_100000750430_100011997219 [0,1,0,0,0,0|3,0,0]=4 4514 B10R0.22 CC(C)(F)COCCCCO 34a_100000716592_100011216708 [0,1,0,0,0,0|3,0,0]=4 4515 B10R0.22 CC(C)(F)CSCCCCF 62a_100000729493_100011997219 [0,1,0,0,0,0|3,0,0]=4 4516 B10R0.22 CC(C)(F)CSCCCCF 62a_100011997219_100000729493 [0,1,0,0,0,0|3,0,0]=4 4517 B10R0.22 CC(C)(F)CSCCCCO 62a_100000210776_100011997219 [0,1,0,0,0,0|3,0,0]=4 4518 B10R0.22 CC(C)(F)CSCCCCO 62a_100011997219_100000210776 [0,1,0,0,0,0|3,0,0]=4 4519 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,1,0,0,0,0|1,0,0]=2 4520 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,1,0,0,0,0|1,0,0]=2 4521 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [0,1,0,0,0,0|2,0,0]=3 4522 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [0,1,0,0,0,0|2,0,0]=3 4523 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [0,1,0,0,0,0|2,0,0]=3 4524 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [0,1,0,0,0,0|2,0,0]=3 4525 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [0,1,0,0,0,0|2,0,0]=3 4526 B10R0.22 CC(C)(O)CCCSCC#N 62a_100009888830_100011215382 [0,1,0,0,0,0|2,0,1]=4 4527 B10R0.22 CC(C)(O)CCCSCC#N 62a_100011215382_100009888830 [0,1,0,0,0,0|2,0,1]=4 4528 B10R0.22 CC(C)(O)CCCSCC=O 62a_100009888830_200015260668 [0,1,0,0,0,0|2,0,1]=4 4529 B10R0.22 CC(C)(O)CCCSCC=O 62a_200015260668_100009888830 [0,1,0,0,0,0|2,0,1]=4 4530 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [0,1,0,0,0,0|2,0,0]=3 4531 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [0,1,0,0,0,0|2,0,0]=3 4532 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [0,1,0,0,0,0|2,0,0]=3 4533 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [0,1,0,0,0,0|2,0,0]=3 4534 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [0,1,0,0,0,0|2,0,0]=3 4535 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [0,1,0,0,0,0|2,0,0]=3 4536 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [0,1,0,0,0,0|2,0,0]=3 4537 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [0,1,0,0,0,0|2,0,0]=3 4538 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [0,1,0,0,0,0|2,0,0]=3 4539 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [0,1,0,0,0,0|2,0,0]=3 4540 B10R0.22 CC(C)(O)CCOCCON 34a_100000700252_100000702414 [0,1,0,0,0,0|3,0,0]=4 4541 B10R0.22 CC(C)(O)CCSCCC#N 62a_100000702414_100011215226 [0,1,0,0,0,0|2,0,1]=4 4542 B10R0.22 CC(C)(O)CCSCCC#N 62a_100011215226_100000702414 [0,1,0,0,0,0|2,0,1]=4 4543 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [0,1,0,0,0,0|2,0,0]=3 4544 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [0,1,0,0,0,0|2,0,0]=3 4545 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [0,1,0,0,0,0|2,0,0]=3 4546 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [0,1,0,0,0,0|2,0,0]=3 4547 B10R0.22 CC(C)(O)CNCCCC#N 2230a_100000751335_100000687738 [0,1,0,0,0,0|2,0,1]=4 4548 B10R0.22 CC(C)(O)CNCCCC=O 2230a_100000751335_200011292268 [0,1,0,0,0,0|2,0,1]=4 4549 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [0,1,0,0,0,0|2,0,0]=3 4550 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [0,1,0,0,0,0|2,0,0]=3 4551 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [0,1,0,0,0,0|2,0,0]=3 4552 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [0,1,0,0,0,0|2,0,0]=3 4553 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [0,1,0,0,0,0|2,0,0]=3 4554 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [0,1,0,0,0,0|2,0,0]=3 4555 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [0,1,0,0,0,0|2,0,0]=3 4556 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [0,1,0,0,0,0|2,0,0]=3 4557 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [0,1,0,0,0,0|2,0,0]=3 4558 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [0,1,0,0,0,0|2,0,0]=3 4559 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000687738_100000764493 [0,1,0,0,0,0|2,0,1]=4 4560 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000764493_100000687738 [0,1,0,0,0,0|2,0,1]=4 4561 B10R0.22 CC(C)(O)CSCCCC=O 62a_100000764493_200011292268 [0,1,0,0,0,0|2,0,1]=4 4562 B10R0.22 CC(C)(O)CSCCCC=O 62a_200011292268_100000764493 [0,1,0,0,0,0|2,0,1]=4 4563 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [0,1,0,0,0,0|2,0,0]=3 4564 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [0,1,0,0,0,0|2,0,0]=3 4565 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [0,1,0,0,0,0|2,0,0]=3 4566 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [0,1,0,0,0,0|2,0,0]=3 4567 B10R0.22 CC(F)(F)COCCCCF 34a_100000068830_100000729493 [0,1,0,0,0,0|3,0,0]=4 4568 B10R0.22 CC(F)(F)COCCCCO 34a_100000068830_100011216708 [0,1,0,0,0,0|3,0,0]=4 4569 B10R0.22 CC/C=C\CNCC(C)(C)O 2230a_100000751335_100103147603 [0,1,0,0,0,0|1,0,2]=4 4570 B10R0.22 CC/C=C\COCC(C)(C)O 34a_100016268518_100000764493 [0,1,0,0,0,0|1,0,2]=4 4571 B10R0.22 CC/C=C\CSCC(C)(C)O 62a_100000764493_100103147603 [0,1,0,0,0,0|1,0,2]=4 4572 B10R0.22 CC/C=C\CSCC(C)(C)O 62a_100103147603_100000764493 [0,1,0,0,0,0|1,0,2]=4 4573 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000070051_100000702414 [0,1,0,0,0,0|1,0,2]=4 4574 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000702414_100000070051 [0,1,0,0,0,0|1,0,2]=4 4575 B10R0.22 CCC#CCNCC(C)(C)O 2230a_100000751335_100009813939 [0,1,0,0,0,0|1,0,2]=4 4576 B10R0.22 CCC#CCOCC(C)(C)O 34a_100000032950_100000764493 [0,1,0,0,0,0|1,0,2]=4 4577 B10R0.22 CCC#CCSCC(C)(C)O 62a_100000764493_100009813939 [0,1,0,0,0,0|1,0,2]=4 4578 B10R0.22 CCC#CCSCC(C)(C)O 62a_100009813939_100000764493 [0,1,0,0,0,0|1,0,2]=4 4579 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [0,1,0,0,0,0|2,0,0]=3 4580 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,1,0,0,0,0|2,0,1]=4 4581 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [0,1,0,0,0,0|2,0,0]=3 4582 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [0,1,0,0,0,0|2,0,0]=3 4583 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [0,1,0,0,0,0|2,0,0]=3 4584 B10R0.22 CCCCCCOC(F)(F)F 34a_100000210259_200103152311 [0,1,0,0,0,0|3,0,0]=4 4585 B10R0.22 CCCCCCOC(F)(F)F 7a_100000210259_200000243211 [0,1,0,0,0,0|3,0,0]=4 4586 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [0,1,0,0,0,0|2,0,0]=3 4587 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [0,1,0,0,0,0|2,0,0]=3 4588 B10R0.22 CCCCCCSC(F)(F)F 62a_100000210314_200103152311 [0,1,0,0,0,0|3,0,0]=4 4589 B10R0.22 CCCCCCSC(F)(F)F 62a_200000243211_100000210757 [0,1,0,0,0,0|3,0,0]=4 4590 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [0,1,0,0,0,0|2,0,0]=3 4591 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [0,1,0,0,0,0|2,0,0]=3 4592 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [0,1,0,0,0,0|2,0,0]=3 4593 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,1,0,0,0,0|1,0,0]=2 4594 B10R0.22 CCCCCNCC(F)(F)F 2230a_100000209983_100000763148 [0,1,0,0,0,0|3,0,0]=4 4595 B10R0.22 CCCCCNCC(F)(F)F 34a_100000717047_100000718602 [0,1,0,0,0,0|3,0,0]=4 4596 B10R0.22 CCCCCNC[Si](C)(C)C 2230a_100000209983_100000037933 [0,1,0,0,0,0|2,1,0]=4 4597 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [0,1,0,0,0,0|2,0,0]=3 4598 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [0,1,0,0,0,0|2,0,0]=3 4599 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [0,1,0,0,0,0|2,0,0]=3 4600 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,1,0,0,0,0|1,0,0]=2 4601 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,1,0,0,0,0|1,0,0]=2 4602 B10R0.22 CCCCCOCC(C)(F)F 34a_100000068830_100000718602 [0,1,0,0,0,0|2,0,0]=3 4603 B10R0.22 CCCCCOCC(F)(F)Br 34a_100011217949_100000718602 [0,1,0,0,0,0|3,0,0]=4 4604 B10R0.22 CCCCCOCC(F)(F)Cl 34a_100000734434_100000718602 [0,1,0,0,0,0|3,0,0]=4 4605 B10R0.22 CCCCCOCC(F)(F)F 34a_100000210435_100000718602 [0,1,0,0,0,0|3,0,0]=4 4606 B10R0.22 CCCCCOC[Si](C)(C)C 7a_100000210253_100000233785 [0,1,0,0,0,0|2,1,0]=4 4607 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [0,1,0,0,0,0|2,0,0]=3 4608 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [0,1,0,0,0,0|2,0,0]=3 4609 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [0,1,0,0,0,0|2,0,0]=3 4610 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [0,1,0,0,0,0|2,0,0]=3 4611 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,1,0,0,0,0|1,0,0]=2 4612 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,1,0,0,0,0|1,0,0]=2 4613 B10R0.22 CCCCCSCC(F)(F)F 62a_100000210326_100000763148 [0,1,0,0,0,0|3,0,0]=4 4614 B10R0.22 CCCCCSCC(F)(F)F 62a_100000763148_100000210326 [0,1,0,0,0,0|3,0,0]=4 4615 B10R0.22 CCCCCSC[N+](C)(C)C 62a_100000210326_200000036245 [0,1,0,0,0,0|3,0,0]=4 4616 B10R0.22 CCCCCSC[N+](C)(C)C 62a_200000036245_100000210326 [0,1,0,0,0,0|3,0,0]=4 4617 B10R0.22 CCCCCSC[Si](C)(C)C 62a_100000037933_100000210326 [0,1,0,0,0,0|2,1,0]=4 4618 B10R0.22 CCCCCSC[Si](C)(C)C 62a_100000210326_100000037933 [0,1,0,0,0,0|2,1,0]=4 4619 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [0,1,0,0,0,0|2,0,0]=3 4620 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [0,1,0,0,0,0|2,0,0]=3 4621 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [0,1,0,0,0,0|2,0,0]=3 4622 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [0,1,0,0,0,0|2,0,0]=3 4623 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [0,1,0,0,0,0|1,0,0]=2 4624 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [0,1,0,0,0,0|1,0,0]=2 4625 B10R0.22 CCCCNCCC(F)(F)F 2230a_100000740434_100000210211 [0,1,0,0,0,0|3,0,0]=4 4626 B10R0.22 CCCCNCCC(F)(F)F 34a_100000740434_100000210210 [0,1,0,0,0,0|3,0,0]=4 4627 B10R0.22 CCCCNCCC(F)(F)F 7a_106832991798_100011219754 [0,1,0,0,0,0|3,0,0]=4 4628 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [0,1,0,0,0,0|2,0,1]=4 4629 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [0,1,0,0,0,0|2,0,1]=4 4630 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [0,1,0,0,0,0|2,0,1]=4 4631 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [0,1,0,0,0,0|2,0,1]=4 4632 B10R0.22 CCCCNCC[N+](C)(C)C 7a_106832991798_100000085578 [0,1,0,0,0,0|3,0,0]=4 4633 B10R0.22 CCCCNCC[Si](C)(C)C 2230a_100000102301_200000733723 [0,1,0,0,0,0|2,1,0]=4 4634 B10R0.22 CCCCNCC[Si](C)(C)C 7a_106832991798_200000733723 [0,1,0,0,0,0|2,1,0]=4 4635 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [0,1,0,0,0,0|2,0,0]=3 4636 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [0,1,0,0,0,0|2,0,0]=3 4637 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [0,1,0,0,0,0|2,0,0]=3 4638 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,1,0,0,0,0|1,0,0]=2 4639 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,1,0,0,0,0|1,0,0]=2 4640 B10R0.22 CCCCOCCC(F)(F)F 34a_100000210227_100011219754 [0,1,0,0,0,0|3,0,0]=4 4641 B10R0.22 CCCCOCCC(F)(F)F 34a_100000752437_100000210210 [0,1,0,0,0,0|3,0,0]=4 4642 B10R0.22 CCCCOCCC(F)(F)F 7a_100000210227_100011219754 [0,1,0,0,0,0|3,0,0]=4 4643 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,1,0,0,0,0|2,0,1]=4 4644 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,1,0,0,0,0|2,0,1]=4 4645 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,1,0,0,0,0|2,0,1]=4 4646 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,1,0,0,0,0|2,0,1]=4 4647 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [0,1,0,0,0,0|3,0,0]=4 4648 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [0,1,0,0,0,0|3,0,0]=4 4649 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [0,1,0,0,0,0|3,0,0]=4 4650 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [0,1,0,0,0,0|2,1,0]=4 4651 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [0,1,0,0,0,0|2,1,0]=4 4652 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [0,1,0,0,0,0|2,1,0]=4 4653 B10R0.22 CCCCOCNC(C)(C)C 2230a_100000715429_100011995733 [0,1,0,0,0,0|3,0,0]=4 4654 B10R0.22 CCCCOCOC(C)(C)C 34a_100015890283_100011995733 [0,1,0,0,0,0|3,0,0]=4 4655 B10R0.22 CCCCOCSC(C)(C)C 62a_100000211941_100011995733 [0,1,0,0,0,0|3,0,0]=4 4656 B10R0.22 CCCCOCSC(C)(C)C 62a_100011995733_100000211941 [0,1,0,0,0,0|3,0,0]=4 4657 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [0,1,0,0,0,0|2,0,0]=3 4658 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [0,1,0,0,0,0|2,0,0]=3 4659 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [0,1,0,0,0,0|1,0,0]=2 4660 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [0,1,0,0,0,0|1,0,0]=2 4661 B10R0.22 CCCCSCCC(F)(F)F 62a_100000210211_100011219754 [0,1,0,0,0,0|3,0,0]=4 4662 B10R0.22 CCCCSCCC(F)(F)F 62a_100011219754_100000210210 [0,1,0,0,0,0|3,0,0]=4 4663 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [0,1,0,0,0,0|2,0,1]=4 4664 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [0,1,0,0,0,0|2,0,1]=4 4665 B10R0.22 CCCCSCC[N+](C)(C)C 62a_100000085578_100000210210 [0,1,0,0,0,0|3,0,0]=4 4666 B10R0.22 CCCCSCC[N+](C)(C)C 62a_100000210211_100000085578 [0,1,0,0,0,0|3,0,0]=4 4667 B10R0.22 CCCCSCC[Si](C)(C)C 62a_100000210211_200000733723 [0,1,0,0,0,0|2,1,0]=4 4668 B10R0.22 CCCCSCC[Si](C)(C)C 62a_200000733723_100000210210 [0,1,0,0,0,0|2,1,0]=4 4669 B10R0.22 CCCNCCCC(F)(F)F 2230a_100000727188_100000210303 [0,1,0,0,0,0|3,0,0]=4 4670 B10R0.22 CCCNCCCC(F)(F)F 34a_100000727188_100000210303 [0,1,0,0,0,0|3,0,0]=4 4671 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [0,1,0,0,0,0|2,0,1]=4 4672 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [0,1,0,0,0,0|2,0,1]=4 4673 B10R0.22 CCCNCCOC(C)(C)C 2230a_100000747557_100000210303 [0,1,0,0,0,0|3,0,0]=4 4674 B10R0.22 CCCNCCSC(C)(C)C 2230a_100000689375_100000210303 [0,1,0,0,0,0|3,0,0]=4 4675 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [0,1,0,0,0,0|1,0,0]=2 4676 B10R0.22 CCCOCCCC(F)(F)F 34a_100000210258_100011215983 [0,1,0,0,0,0|3,0,0]=4 4677 B10R0.22 CCCOCCCC(F)(F)F 34a_100000749235_100000210303 [0,1,0,0,0,0|3,0,0]=4 4678 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,1,0,0,0,0|2,0,1]=4 4679 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,1,0,0,0,0|2,0,1]=4 4680 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,1,0,0,0,0|2,0,1]=4 4681 B10R0.22 CCCOCCC[N+](C)(C)C 34a_100000210258_100016990835 [0,1,0,0,0,0|3,0,0]=4 4682 B10R0.22 CCCOCCC[Si](C)(C)C 34a_100000210258_100011219597 [0,1,0,0,0,0|2,1,0]=4 4683 B10R0.22 CCCOCCC[Si](C)(C)C 7a_200011215415_100000210303 [0,1,0,0,0,0|2,1,0]=4 4684 B10R0.22 CCCOCCNC(C)(C)C 2230a_100000715429_100011215938 [0,1,0,0,0,0|3,0,0]=4 4685 B10R0.22 CCCOCCNC(C)(C)C 34a_100161115042_100000210625 [0,1,0,0,0,0|3,0,0]=4 4686 B10R0.22 CCCOCCOC(C)(C)C 34a_100000693234_100000210303 [0,1,0,0,0,0|3,0,0]=4 4687 B10R0.22 CCCOCCOC(C)(C)C 34a_100000752267_100000210625 [0,1,0,0,0,0|3,0,0]=4 4688 B10R0.22 CCCOCCOC(C)(C)C 34a_100015890283_100011215938 [0,1,0,0,0,0|3,0,0]=4 4689 B10R0.22 CCCOCCOC(C)(C)C 7a_100000693234_100000210303 [0,1,0,0,0,0|3,0,0]=4 4690 B10R0.22 CCCOCCOC(C)(C)C 7a_100015890283_100011215938 [0,1,0,0,0,0|3,0,0]=4 4691 B10R0.22 CCCOCCSC(C)(C)C 62a_100000211941_100011215938 [0,1,0,0,0,0|3,0,0]=4 4692 B10R0.22 CCCOCCSC(C)(C)C 62a_100011215938_100000211941 [0,1,0,0,0,0|3,0,0]=4 4693 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [0,1,0,0,0,0|1,0,0]=2 4694 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [0,1,0,0,0,0|1,0,0]=2 4695 B10R0.22 CCCSCCCC(F)(F)F 62a_100000210303_100011216173 [0,1,0,0,0,0|3,0,0]=4 4696 B10R0.22 CCCSCCCC(F)(F)F 62a_100011216173_100000210303 [0,1,0,0,0,0|3,0,0]=4 4697 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [0,1,0,0,0,0|2,0,1]=4 4698 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [0,1,0,0,0,0|2,0,1]=4 4699 B10R0.22 CCCSCCC[N+](C)(C)C 62a_100000210303_100016990835 [0,1,0,0,0,0|3,0,0]=4 4700 B10R0.22 CCCSCCC[N+](C)(C)C 62a_100016990835_100000210303 [0,1,0,0,0,0|3,0,0]=4 4701 B10R0.22 CCCSCCC[Si](C)(C)C 62a_100000210303_100011219597 [0,1,0,0,0,0|2,1,0]=4 4702 B10R0.22 CCCSCCC[Si](C)(C)C 62a_100011219597_100000210303 [0,1,0,0,0,0|2,1,0]=4 4703 B10R0.22 CCCSCCOC(C)(C)C 34a_200000230433_100000210625 [0,1,0,0,0,0|3,0,0]=4 4704 B10R0.22 CCNCCCCC(F)(F)F 2230a_100015525214_100000692467 [0,1,0,0,0,0|3,0,0]=4 4705 B10R0.22 CCNCCCOC(C)(C)C 2230a_100011250582_100000210202 [0,1,0,0,0,0|3,0,0]=4 4706 B10R0.22 CCOCCCCC(F)(F)F 34a_100000749236_100000210202 [0,1,0,0,0,0|3,0,0]=4 4707 B10R0.22 CCOCCCCC(F)(F)F 34a_100121572206_100000692467 [0,1,0,0,0,0|3,0,0]=4 4708 B10R0.22 CCOCCCCC(F)(F)F 7a_100000749236_100000210202 [0,1,0,0,0,0|3,0,0]=4 4709 B10R0.22 CCOCCCC[Si](C)(C)C 7a_200009881916_100000210202 [0,1,0,0,0,0|2,1,0]=4 4710 B10R0.22 CCOCCCNC(C)(C)C 2230a_100000715429_100012232248 [0,1,0,0,0,0|3,0,0]=4 4711 B10R0.22 CCOCCCNC(C)(C)C 34a_100000210961_100000210625 [0,1,0,0,0,0|3,0,0]=4 4712 B10R0.22 CCOCCCOC(C)(C)C 34a_100000757476_100000210625 [0,1,0,0,0,0|3,0,0]=4 4713 B10R0.22 CCOCCCOC(C)(C)C 34a_100015890283_100012232248 [0,1,0,0,0,0|3,0,0]=4 4714 B10R0.22 CCOCCCOC(C)(C)C 7a_100015890283_100012232248 [0,1,0,0,0,0|3,0,0]=4 4715 B10R0.22 CCOCCCSC(C)(C)C 62a_100000211941_100012232248 [0,1,0,0,0,0|3,0,0]=4 4716 B10R0.22 CCOCCCSC(C)(C)C 62a_100012232248_100000211941 [0,1,0,0,0,0|3,0,0]=4 4717 B10R0.22 CCOCCNCC(C)(C)C 2230a_100000743828_100011215890 [0,1,0,0,0,0|3,0,0]=4 4718 B10R0.22 CCOCCNCC(C)(C)C 270004a_102516460346_100011204126 [0,1,0,0,0,0|3,0,0]=4 4719 B10R0.22 CCOCCNCC(C)(C)C 34a_102516460346_100011219605 [0,1,0,0,0,0|3,0,0]=4 4720 B10R0.22 CCOCCNCC(C)(C)F 2230a_100020643315_100011215890 [0,1,0,0,0,0|3,0,0]=4 4721 B10R0.22 CCOCCNCC(C)(C)F 34a_102516460346_100011997219 [0,1,0,0,0,0|3,0,0]=4 4722 B10R0.22 CCOCCNCC(C)(C)O 2230a_100000751335_100011215890 [0,1,0,0,0,0|2,0,0]=3 4723 B10R0.22 CCOCCNCC(C)(C)O 34a_102516460346_100000764493 [0,1,0,0,0,0|2,0,0]=3 4724 B10R0.22 CCOCCOCC(C)(C)C 34a_100000210136_100011219605 [0,1,0,0,0,0|3,0,0]=4 4725 B10R0.22 CCOCCOCC(C)(C)F 34a_100000210136_100011997219 [0,1,0,0,0,0|3,0,0]=4 4726 B10R0.22 CCOCCOCC(C)(C)F 34a_100000716592_100000210147 [0,1,0,0,0,0|3,0,0]=4 4727 B10R0.22 CCOCCOCC(C)(C)O 34a_100000210136_100000764493 [0,1,0,0,0,0|2,0,0]=3 4728 B10R0.22 CCOCCOCC(C)(C)O 7a_100000210136_100000764493 [0,1,0,0,0,0|2,0,0]=3 4729 B10R0.22 CCOCCOCC(C)(F)F 34a_100000068830_100000210147 [0,1,0,0,0,0|3,0,0]=4 4730 B10R0.22 CCOCCSCC(C)(C)C 62a_100000210147_100011219605 [0,1,0,0,0,0|3,0,0]=4 4731 B10R0.22 CCOCCSCC(C)(C)C 62a_100011219605_100011215890 [0,1,0,0,0,0|3,0,0]=4 4732 B10R0.22 CCOCCSCC(C)(C)F 62a_100000210147_100011997219 [0,1,0,0,0,0|3,0,0]=4 4733 B10R0.22 CCOCCSCC(C)(C)F 62a_100011997219_100011215890 [0,1,0,0,0,0|3,0,0]=4 4734 B10R0.22 CCOCCSCC(C)(C)O 62a_100000210147_100000764493 [0,1,0,0,0,0|2,0,0]=3 4735 B10R0.22 CCOCCSCC(C)(C)O 62a_100000764493_100011215890 [0,1,0,0,0,0|2,0,0]=3 4736 B10R0.22 CCOCSCCC(C)(C)C 62a_100000739092_100000755188 [0,1,0,0,0,0|3,0,0]=4 4737 B10R0.22 CCOCSCCC(C)(C)C 62a_100000755188_100000739092 [0,1,0,0,0,0|3,0,0]=4 4738 B10R0.22 CCOCSCCC(C)(C)O 62a_100000702414_100000739092 [0,1,0,0,0,0|2,0,0]=3 4739 B10R0.22 CCOCSCCC(C)(C)O 62a_100000739092_100000702414 [0,1,0,0,0,0|2,0,0]=3 4740 B10R0.22 CCSCCCCC(F)(F)F 62a_100000210202_100000692467 [0,1,0,0,0,0|3,0,0]=4 4741 B10R0.22 CCSCCCCC(F)(F)F 62a_100000692467_100000210202 [0,1,0,0,0,0|3,0,0]=4 4742 B10R0.22 CCSCCCOC(C)(C)C 34a_100011216438_100000210625 [0,1,0,0,0,0|3,0,0]=4 4743 B10R0.22 CCSCCNCC(C)(C)C 2230a_100000743828_100000757381 [0,1,0,0,0,0|3,0,0]=4 4744 B10R0.22 CCSCCNCC(C)(C)C 270004a_100000106463_100011204126 [0,1,0,0,0,0|3,0,0]=4 4745 B10R0.22 CCSCCNCC(C)(C)F 2230a_100020643315_100000757381 [0,1,0,0,0,0|3,0,0]=4 4746 B10R0.22 CCSCCNCC(C)(C)O 2230a_100000751335_100000757381 [0,1,0,0,0,0|2,0,0]=3 4747 B10R0.22 CCSCCOCC(C)(C)C 34a_100000212035_100011219605 [0,1,0,0,0,0|3,0,0]=4 4748 B10R0.22 CCSCCOCC(C)(C)F 34a_100000212035_100011997219 [0,1,0,0,0,0|3,0,0]=4 4749 B10R0.22 CCSCCOCC(C)(C)F 34a_100000716592_100000757381 [0,1,0,0,0,0|3,0,0]=4 4750 B10R0.22 CCSCCOCC(C)(C)O 34a_100000212035_100000764493 [0,1,0,0,0,0|2,0,0]=3 4751 B10R0.22 CCSCCOCC(C)(C)O 7a_100000212035_100000764493 [0,1,0,0,0,0|2,0,0]=3 4752 B10R0.22 CCSCCOCC(C)(F)F 34a_100000068830_100000757381 [0,1,0,0,0,0|3,0,0]=4 4753 B10R0.22 CCSCCSCC(C)(C)C 62a_100000757381_100011219605 [0,1,0,0,0,0|3,0,0]=4 4754 B10R0.22 CCSCCSCC(C)(C)C 62a_100011219605_100000757381 [0,1,0,0,0,0|3,0,0]=4 4755 B10R0.22 CCSCCSCC(C)(C)F 62a_100000757381_100011997219 [0,1,0,0,0,0|3,0,0]=4 4756 B10R0.22 CCSCCSCC(C)(C)F 62a_100011997219_100000757381 [0,1,0,0,0,0|3,0,0]=4 4757 B10R0.22 CCSCCSCC(C)(C)O 62a_100000757381_100000764493 [0,1,0,0,0,0|2,0,0]=3 4758 B10R0.22 CCSCCSCC(C)(C)O 62a_100000764493_100000757381 [0,1,0,0,0,0|2,0,0]=3 4759 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,1,0,0,0,0|1,0,0]=2 4760 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,1,0,0,0,0|1,0,0]=2 4761 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,1,0,0,0,0|1,0,0]=2 4762 B10R0.22 CNCCCCCC(F)(F)F 2230a_106832991635_100010187589 [0,1,0,0,0,0|3,0,0]=4 4763 B10R0.22 CNCCCCCC(F)(F)F 34a_100102657272_100010187589 [0,1,0,0,0,0|3,0,0]=4 4764 B10R0.22 CNCCCCCC(F)(F)F 7a_106832991635_100010187589 [0,1,0,0,0,0|3,0,0]=4 4765 B10R0.22 CNCCCCC[N+](C)(C)C 2230a_106832991635_100009813293 [0,1,0,0,0,0|3,0,0]=4 4766 B10R0.22 CNCCCCC[N+](C)(C)C 34a_100102657272_100009813293 [0,1,0,0,0,0|3,0,0]=4 4767 B10R0.22 CNCCCCC[N+](C)(C)C 7a_106832991635_100009813293 [0,1,0,0,0,0|3,0,0]=4 4768 B10R0.22 CNCCCOCC(C)(C)C 34a_100000213112_100011219605 [0,1,0,0,0,0|3,0,0]=4 4769 B10R0.22 CNCCCOCC(C)(C)F 34a_100000213112_100011997219 [0,1,0,0,0,0|3,0,0]=4 4770 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [0,1,0,0,0,0|2,0,0]=3 4771 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,1,0,0,0,0|1,0,0]=2 4772 B10R0.22 COCCCCCC(F)(F)F 34a_100138415774_100010187589 [0,1,0,0,0,0|3,0,0]=4 4773 B10R0.22 COCCCCC[N+](C)(C)C 34a_100138415774_100009813293 [0,1,0,0,0,0|3,0,0]=4 4774 B10R0.22 COCCCCNC(C)(C)C 2230a_100000715429_100000730899 [0,1,0,0,0,0|3,0,0]=4 4775 B10R0.22 COCCCCOC(C)(C)C 34a_100000740925_100000210625 [0,1,0,0,0,0|3,0,0]=4 4776 B10R0.22 COCCCCOC(C)(C)C 34a_100015890283_100000755781 [0,1,0,0,0,0|3,0,0]=4 4777 B10R0.22 COCCCCOC(C)(C)C 7a_100015890283_100000730899 [0,1,0,0,0,0|3,0,0]=4 4778 B10R0.22 COCCCCSC(C)(C)C 62a_100000211941_100000730899 [0,1,0,0,0,0|3,0,0]=4 4779 B10R0.22 COCCCCSC(C)(C)C 62a_100000730899_100000211941 [0,1,0,0,0,0|3,0,0]=4 4780 B10R0.22 COCCCNCC(C)(C)C 2230a_100000743828_100000740836 [0,1,0,0,0,0|3,0,0]=4 4781 B10R0.22 COCCCNCC(C)(C)C 270004a_100150723488_100011204126 [0,1,0,0,0,0|3,0,0]=4 4782 B10R0.22 COCCCNCC(C)(C)C 34a_100150723488_100011219605 [0,1,0,0,0,0|3,0,0]=4 4783 B10R0.22 COCCCNCC(C)(C)F 2230a_100020643315_100000740836 [0,1,0,0,0,0|3,0,0]=4 4784 B10R0.22 COCCCNCC(C)(C)F 34a_100150723488_100011997219 [0,1,0,0,0,0|3,0,0]=4 4785 B10R0.22 COCCCNCC(C)(C)O 2230a_100000751335_100000740836 [0,1,0,0,0,0|2,0,0]=3 4786 B10R0.22 COCCCNCC(C)(C)O 34a_100150723488_100000764493 [0,1,0,0,0,0|2,0,0]=3 4787 B10R0.22 COCCCOCC(C)(C)C 34a_100000740835_100011219605 [0,1,0,0,0,0|3,0,0]=4 4788 B10R0.22 COCCCOCC(C)(C)F 34a_100000716592_100000740836 [0,1,0,0,0,0|3,0,0]=4 4789 B10R0.22 COCCCOCC(C)(C)F 34a_100000740835_100011997219 [0,1,0,0,0,0|3,0,0]=4 4790 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [0,1,0,0,0,0|2,0,0]=3 4791 B10R0.22 COCCCOCC(C)(F)F 34a_100000068830_100000740836 [0,1,0,0,0,0|3,0,0]=4 4792 B10R0.22 COCCCSCC(C)(C)C 62a_100000709357_100011219605 [0,1,0,0,0,0|3,0,0]=4 4793 B10R0.22 COCCCSCC(C)(C)C 62a_100011219605_100000709357 [0,1,0,0,0,0|3,0,0]=4 4794 B10R0.22 COCCCSCC(C)(C)F 62a_100000709357_100011997219 [0,1,0,0,0,0|3,0,0]=4 4795 B10R0.22 COCCCSCC(C)(C)F 62a_100011997219_100000709357 [0,1,0,0,0,0|3,0,0]=4 4796 B10R0.22 COCCCSCC(C)(C)O 62a_100000709357_100000764493 [0,1,0,0,0,0|2,0,0]=3 4797 B10R0.22 COCCCSCC(C)(C)O 62a_100000764493_100000709357 [0,1,0,0,0,0|2,0,0]=3 4798 B10R0.22 COCCNCCC(C)(C)C 2230a_100000209980_100000755188 [0,1,0,0,0,0|3,0,0]=4 4799 B10R0.22 COCCNCCC(C)(C)C 2230a_100000738805_100011201679 [0,1,0,0,0,0|3,0,0]=4 4800 B10R0.22 COCCNCCC(C)(C)F 2230a_100016253952_100011201679 [0,1,0,0,0,0|3,0,0]=4 4801 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [0,1,0,0,0,0|2,0,0]=3 4802 B10R0.22 COCCOCCC(C)(C)C 34a_100000210237_100000755188 [0,1,0,0,0,0|3,0,0]=4 4803 B10R0.22 COCCOCCC(C)(C)C 7a_100000765024_100000233755 [0,1,0,0,0,0|3,0,0]=4 4804 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [0,1,0,0,0,0|2,0,0]=3 4805 B10R0.22 COCCSCCC(C)(C)C 62a_100000233755_100000755188 [0,1,0,0,0,0|3,0,0]=4 4806 B10R0.22 COCCSCCC(C)(C)C 62a_100000755188_100000233755 [0,1,0,0,0,0|3,0,0]=4 4807 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [0,1,0,0,0,0|2,0,0]=3 4808 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [0,1,0,0,0,0|2,0,0]=3 4809 B10R0.22 COCSCCCC(C)(C)O 62a_100000766300_100009888830 [0,1,0,0,0,0|2,0,0]=3 4810 B10R0.22 COCSCCCC(C)(C)O 62a_100009888830_100000766300 [0,1,0,0,0,0|2,0,0]=3 4811 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,1,0,0,0,0|1,0,0]=2 4812 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,1,0,0,0,0|1,0,0]=2 4813 B10R0.22 CSCCCCCC(F)(F)F 62a_100010187589_200000210301 [0,1,0,0,0,0|3,0,0]=4 4814 B10R0.22 CSCCCCCC(F)(F)F 62a_200000210301_100010187589 [0,1,0,0,0,0|3,0,0]=4 4815 B10R0.22 CSCCCCC[N+](C)(C)C 62a_100009813293_200000210301 [0,1,0,0,0,0|3,0,0]=4 4816 B10R0.22 CSCCCCC[N+](C)(C)C 62a_200000210301_100009813293 [0,1,0,0,0,0|3,0,0]=4 4817 B10R0.22 CSCCCCOC(C)(C)C 34a_100011217163_100000210625 [0,1,0,0,0,0|3,0,0]=4 4818 B10R0.22 CSCCCNCC(C)(C)C 270004a_100000749238_100011204126 [0,1,0,0,0,0|3,0,0]=4 4819 B10R0.22 CSCCCOCC(C)(C)C 34a_100000690336_100011219605 [0,1,0,0,0,0|3,0,0]=4 4820 B10R0.22 CSCCCOCC(C)(C)F 34a_100000690336_100011997219 [0,1,0,0,0,0|3,0,0]=4 4821 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [0,1,0,0,0,0|2,0,0]=3 4822 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [0,1,0,0,0,0|2,0,0]=3 4823 B10R0.22 CSCCNCCC(C)(C)C 2230a_100000738805_100000751147 [0,1,0,0,0,0|3,0,0]=4 4824 B10R0.22 CSCCNCCC(C)(C)C 2230a_100020590264_100000755188 [0,1,0,0,0,0|3,0,0]=4 4825 B10R0.22 CSCCNCCC(C)(C)F 2230a_100016253952_100000751147 [0,1,0,0,0,0|3,0,0]=4 4826 B10R0.22 CSCCNCCC(C)(C)O 2230a_100020590264_100000702414 [0,1,0,0,0,0|2,0,0]=3 4827 B10R0.22 CSCCOCCC(C)(C)C 34a_100000230434_100000755188 [0,1,0,0,0,0|3,0,0]=4 4828 B10R0.22 CSCCOCCC(C)(C)C 7a_100000230434_100000755188 [0,1,0,0,0,0|3,0,0]=4 4829 B10R0.22 CSCCOCCC(C)(C)C 7a_100000765024_100000212216 [0,1,0,0,0,0|3,0,0]=4 4830 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [0,1,0,0,0,0|2,0,0]=3 4831 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [0,1,0,0,0,0|2,0,0]=3 4832 B10R0.22 CSCCSCCC(C)(C)C 62a_100000212216_100000755188 [0,1,0,0,0,0|3,0,0]=4 4833 B10R0.22 CSCCSCCC(C)(C)C 62a_100000755188_100000751147 [0,1,0,0,0,0|3,0,0]=4 4834 B10R0.22 CSCCSCCC(C)(C)O 62a_100000212216_100000702414 [0,1,0,0,0,0|2,0,0]=3 4835 B10R0.22 CSCCSCCC(C)(C)O 62a_100000702414_100000751147 [0,1,0,0,0,0|2,0,0]=3 4836 B10R0.22 CSCSCCCC(C)(C)O 62a_100009888830_100011218213 [0,1,0,0,0,0|2,0,0]=3 4837 B10R0.22 CSCSCCCC(C)(C)O 62a_100011218213_100009888830 [0,1,0,0,0,0|2,0,0]=3 4838 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_100009813293_200025704644 [0,1,0,0,0,0|3,0,0]=4 4839 B10R0.22 C[N+](C)(C)CCCCCS[13CH3] 62a_200025704644_100009813293 [0,1,0,0,0,0|3,0,0]=4 4840 B10R0.22 [13CH3]SCCCCCC(F)(F)F 62a_100010187589_200025704644 [0,1,0,0,0,0|3,0,0]=4 4841 B10R0.22 [13CH3]SCCCCCC(F)(F)F 62a_200025704644_100010187589 [0,1,0,0,0,0|3,0,0]=4 4842 B10R0.55 C#CC(C)NCCCC(C)O 2230a_100000707721_200000718107 [0,1,0,0,0,0|1,0,2]=4 4843 B10R0.55 C#CC(C)NCCCC(C)O 34a_100000707721_200000718107 [0,1,0,0,0,0|1,0,2]=4 4844 B10R0.55 C#CC(C)SCCCC(C)O 62a_200000035995_200000718107 [0,1,0,0,0,0|1,0,2]=4 4845 B10R0.55 C#C[C@@H](C)OCCCC(C)O 34a_100009815206_200000718107 [0,1,0,0,0,0|1,0,2]=4 4846 B10R0.55 C#C[C@@H](C)OCCCC(C)O 7a_100009815206_200000718107 [0,1,0,0,0,0|1,0,2]=4 4847 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,1,0,0,0,0|2,0,1]=4 4848 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,1,0,0,0,0|2,0,1]=4 4849 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,1,0,0,0,0|2,0,1]=4 4850 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,1,0,0,0,0|2,0,1]=4 4851 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,1,0,0,0,0|2,0,1]=4 4852 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,1,0,0,0,0|2,0,1]=4 4853 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,1,0,0,0,0|2,0,1]=4 4854 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,1,0,0,0,0|2,0,1]=4 4855 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,1,0,0,0,0|2,0,1]=4 4856 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,1,0,0,0,0|2,0,1]=4 4857 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,1,0,0,0,0|2,0,1]=4 4858 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,1,0,0,0,0|2,0,1]=4 4859 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,1,0,0,0,0|2,0,1]=4 4860 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,1,0,0,0,0|2,0,1]=4 4861 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [0,1,0,0,0,0|1,0,2]=4 4862 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [0,1,0,0,0,0|1,0,2]=4 4863 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [0,1,0,0,0,0|1,0,2]=4 4864 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [0,1,0,0,0,0|1,0,2]=4 4865 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,1,0,0,0,0|1,0,2]=4 4866 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,1,0,0,0,0|1,0,2]=4 4867 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,1,0,0,0,0|1,0,2]=4 4868 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,1,0,0,0,0|1,0,2]=4 4869 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,1,0,0,0,0|3,0,0]=4 4870 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [0,1,0,0,0,0|3,0,0]=4 4871 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [0,1,0,0,0,0|3,0,0]=4 4872 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,1,0,0,0,0|3,0,0]=4 4873 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,1,0,0,0,0|2,0,1]=4 4874 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,0,0,0,0|2,0,1]=4 4875 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,1,0,0,0,0|3,0,0]=4 4876 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,1,0,0,0,0|3,0,0]=4 4877 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,1,0,0,0,0|3,0,0]=4 4878 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,1,0,0,0,0|3,0,0]=4 4879 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,1,0,0,0,0|3,0,0]=4 4880 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,1,0,0,0,0|3,0,0]=4 4881 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,1,0,0,0,0|3,0,0]=4 4882 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,1,0,0,0,0|3,0,0]=4 4883 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,1,0,0,0,0|3,0,0]=4 4884 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,1,0,0,0,0|3,0,0]=4 4885 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,1,0,0,0,0|3,0,0]=4 4886 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,1,0,0,0,0|3,0,0]=4 4887 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,1,0,0,0,0|3,0,0]=4 4888 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,1,0,0,0,0|3,0,0]=4 4889 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,1,0,0,0,0|3,0,0]=4 4890 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,1,0,0,0,0|3,0,0]=4 4891 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,1,0,0,0,0|3,0,0]=4 4892 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,1,0,0,0,0|3,0,0]=4 4893 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,1,0,0,0,0|3,0,0]=4 4894 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,1,0,0,0,0|3,0,0]=4 4895 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,1,0,0,0,0|3,0,0]=4 4896 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,1,0,0,0,0|3,0,0]=4 4897 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,1,0,0,0,0|3,0,0]=4 4898 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,1,0,0,0,0|3,0,0]=4 4899 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,1,0,0,0,0|3,0,0]=4 4900 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,1,0,0,0,0|3,0,0]=4 4901 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,1,0,0,0,0|3,0,0]=4 4902 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,1,0,0,0,0|3,0,0]=4 4903 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,1,0,0,0,0|3,0,0]=4 4904 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,1,0,0,0,0|3,0,0]=4 4905 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,1,0,0,0,0|3,0,0]=4 4906 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,1,0,0,0,0|3,0,0]=4 4907 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,1,0,0,0,0|3,0,0]=4 4908 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,1,0,0,0,0|3,0,0]=4 4909 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,1,0,0,0,0|3,0,0]=4 4910 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,1,0,0,0,0|3,0,0]=4 4911 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,1,0,0,0,0|3,0,0]=4 4912 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,1,0,0,0,0|3,0,0]=4 4913 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,1,0,0,0,0|3,0,0]=4 4914 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [0,1,0,0,0,0|3,0,0]=4 4915 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,1,0,0,0,0|2,0,0]=3 4916 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,1,0,0,0,0|2,0,0]=3 4917 B10R0.55 CC(O)CCCNC(C)C#N 2230a_100000737613_200000718107 [0,1,0,0,0,0|2,0,1]=4 4918 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,1,0,0,0,0|2,0,0]=3 4919 B10R0.55 CC(O)CCCOC(C)C#N 34a_100011218135_200000718107 [0,1,0,0,0,0|2,0,1]=4 4920 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,1,0,0,0,0|2,0,0]=3 4921 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,1,0,0,0,0|2,0,0]=3 4922 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,1,0,0,0,0|2,0,0]=3 4923 B10R0.55 CC(O)CCCSC(C)C#N 62a_100000703298_200000718107 [0,1,0,0,0,0|2,0,1]=4 4924 B10R0.55 CC(O)CCCSC(C)C#N 62a_200000718107_100000703298 [0,1,0,0,0,0|2,0,1]=4 4925 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,1,0,0,0,0|2,0,0]=3 4926 B10R0.55 CC(O)CCCSC(F)C#N 62a_200000117898_200000718107 [0,1,0,0,0,0|2,0,1]=4 4927 B10R0.55 CC(O)CCCSC(F)C#N 62a_200000718107_200000117898 [0,1,0,0,0,0|2,0,1]=4 4928 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,1,0,0,0,0|2,0,0]=3 4929 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,1,0,0,0,0|2,0,0]=3 4930 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,1,0,0,0,0|2,0,0]=3 4931 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,1,0,0,0,0|2,0,0]=3 4932 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,1,0,0,0,0|2,0,0]=3 4933 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [0,1,0,0,0,0|2,0,0]=3 4934 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,1,0,0,0,0|2,0,0]=3 4935 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,1,0,0,0,0|2,0,0]=3 4936 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,1,0,0,0,0|2,0,0]=3 4937 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,1,0,0,0,0|2,0,0]=3 4938 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [0,1,0,0,0,0|2,0,0]=3 4939 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [0,1,0,0,0,0|2,0,0]=3 4940 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,1,0,0,0,0|2,0,0]=3 4941 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,1,0,0,0,0|2,0,0]=3 4942 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,1,0,0,0,0|2,0,0]=3 4943 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,1,0,0,0,0|2,0,0]=3 4944 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,1,0,0,0,0|2,0,0]=3 4945 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,1,0,0,0,0|2,0,0]=3 4946 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,1,0,0,0,0|2,0,0]=3 4947 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,1,0,0,0,0|2,0,0]=3 4948 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,1,0,0,0,0|2,0,0]=3 4949 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,1,0,0,0,0|2,0,0]=3 4950 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,1,0,0,0,0|2,0,1]=4 4951 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,0,0,0,0|0,0,3]=4 4952 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,1,0,0,0,0|1,0,1]=3 4953 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,1,0,0,0,0|1,0,1]=3 4954 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,1,0,0,0,0|2,0,1]=4 4955 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,1,0,0,0,0|2,0,1]=4 4956 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,1,0,0,0,0|1,0,1]=3 4957 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,1,0,0,0,0|2,0,1]=4 4958 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,1,0,0,0,0|2,0,1]=4 4959 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,1,0,0,0,0|1,0,1]=3 4960 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,1,0,0,0,0|1,0,1]=3 4961 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,1,0,0,0,0|2,0,1]=4 4962 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,1,0,0,0,0|2,0,1]=4 4963 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,1,0,0,0,0|2,0,1]=4 4964 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,1,0,0,0,0|2,0,1]=4 4965 B10R0.55 CCC(C)C=NNCC(C)O 4a_200000730056_100000243153 [0,1,0,0,0,0|2,0,1]=4 4966 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,1,0,0,0,0|2,0,0]=3 4967 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,1,0,0,0,0|2,0,0]=3 4968 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,1,0,0,0,0|2,0,0]=3 4969 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,1,0,0,0,0|1,0,0]=2 4970 B10R0.55 CCC(C)CCNCC(F)F 2230a_100020591266_100011934356 [0,1,0,0,0,0|3,0,0]=4 4971 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,1,0,0,0,0|1,0,0]=2 4972 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,1,0,0,0,0|2,0,0]=3 4973 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,0|1,0,0]=2 4974 B10R0.55 CCC(C)CCOCC(F)F 7a_100011215188_100011934356 [0,1,0,0,0,0|3,0,0]=4 4975 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,0|1,0,0]=2 4976 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,1,0,0,0,0|2,0,0]=3 4977 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,1,0,0,0,0|2,0,0]=3 4978 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,1,0,0,0,0|2,0,0]=3 4979 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,0,0,0,0|1,0,0]=2 4980 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,0,0,0,0|1,0,0]=2 4981 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,0,0,0,0|1,0,0]=2 4982 B10R0.55 CCC(C)CNCCN(C)C 270004a_100000210585_100000243153 [0,1,0,0,0,0|3,0,0]=4 4983 B10R0.55 CCC(C)CNCOC(C)C 2230a_100020588543_100000709892 [0,1,0,0,0,0|3,0,0]=4 4984 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,0,0,0,0|1,0,2]=4 4985 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,0,0,0,0|1,0,2]=4 4986 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,1,0,0,0,0|2,0,0]=3 4987 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,1,0,0,0,0|2,0,0]=3 4988 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,1,0,0,0,0|2,0,0]=3 4989 B10R0.55 CCC(C)COCCC(F)F 34a_100103093639_100000748023 [0,1,0,0,0,0|3,0,0]=4 4990 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,1,0,0,0,0|2,0,0]=3 4991 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,0,0,0,0|1,0,2]=4 4992 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,0,0,0,0|1,0,2]=4 4993 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,1,0,0,0,0|2,0,0]=3 4994 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,1,0,0,0,0|2,0,0]=3 4995 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,1,0,0,0,0|1,0,0]=2 4996 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,1,0,0,0,0|1,0,0]=2 4997 B10R0.55 CCC(C)CSCCN(C)C 62a_100000748023_100000755713 [0,1,0,0,0,0|3,0,0]=4 4998 B10R0.55 CCC(C)CSCOC(C)C 62a_100000709892_100000748023 [0,1,0,0,0,0|3,0,0]=4 4999 B10R0.55 CCC(C)CSCOC(C)C 62a_100000748023_100000709892 [0,1,0,0,0,0|3,0,0]=4 5000 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,1,0,0,0,0|2,0,0]=3 5001 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,1,0,0,0,0|2,0,0]=3 5002 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,1,0,0,0,0|2,0,0]=3 5003 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,1,0,0,0,0|1,0,0]=2 5004 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,1,0,0,0,0|2,0,1]=4 5005 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000209981_100000211751 [0,1,0,0,0,0|3,0,0]=4 5006 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000701111_100000758301 [0,1,0,0,0,0|3,0,0]=4 5007 B10R0.55 CCC(C)NCCOC(C)C 34a_100000701111_100011215416 [0,1,0,0,0,0|3,0,0]=4 5008 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000209981_100000730970 [0,1,0,0,0,0|3,0,0]=4 5009 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000731138_100000758301 [0,1,0,0,0,0|3,0,0]=4 5010 B10R0.55 CCC(C)NCCSC(C)C 34a_100000731138_100011215416 [0,1,0,0,0,0|3,0,0]=4 5011 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,0|1,0,2]=4 5012 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,0|1,0,2]=4 5013 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,0|1,0,2]=4 5014 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,1,0,0,0,0|2,0,0]=3 5015 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,1,0,0,0,0|2,0,0]=3 5016 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,1,0,0,0,0|2,0,0]=3 5017 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,1,0,0,0,0|1,0,0]=2 5018 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [0,1,0,0,0,0|3,0,0]=4 5019 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [0,1,0,0,0,0|3,0,0]=4 5020 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,1,0,0,0,0|3,0,0]=4 5021 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,1,0,0,0,0|3,0,0]=4 5022 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,1,0,0,0,0|3,0,0]=4 5023 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [0,1,0,0,0,0|3,0,0]=4 5024 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [0,1,0,0,0,0|3,0,0]=4 5025 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [0,1,0,0,0,0|3,0,0]=4 5026 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,0|1,0,2]=4 5027 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,0|1,0,2]=4 5028 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,1,0,0,0,0|2,0,0]=3 5029 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,1,0,0,0,0|2,0,0]=3 5030 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,1,0,0,0,0|1,0,0]=2 5031 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,1,0,0,0,0|1,0,0]=2 5032 B10R0.55 CCC(C)SCCCN(C)C 62a_100000758301_100000757444 [0,1,0,0,0,0|3,0,0]=4 5033 B10R0.55 CCC(C)SCCOC(C)C 62a_100000211751_100000758301 [0,1,0,0,0,0|3,0,0]=4 5034 B10R0.55 CCC(C)SCCOC(C)C 62a_100000758301_100000211751 [0,1,0,0,0,0|3,0,0]=4 5035 B10R0.55 CCC(C)SCCSC(C)C 62a_100000730970_100000758301 [0,1,0,0,0,0|3,0,0]=4 5036 B10R0.55 CCC(C)SCCSC(C)C 62a_100000758301_100000730970 [0,1,0,0,0,0|3,0,0]=4 5037 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,1,0,0,0,0|2,0,0]=3 5038 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,1,0,0,0,0|2,0,0]=3 5039 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,1,0,0,0,0|1,0,0]=2 5040 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,1,0,0,0,0|1,0,0]=2 5041 B10R0.55 CCC(O)CNCOC(C)C 2230a_100011218483_100000709892 [0,1,0,0,0,0|3,0,0]=4 5042 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,0|1,0,2]=4 5043 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,0|1,0,2]=4 5044 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,1,0,0,0,0|2,0,0]=3 5045 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,1,0,0,0,0|2,0,0]=3 5046 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,1,0,0,0,0|2,0,0]=3 5047 B10R0.55 CCC(O)COCCC(F)F 34a_100103093639_100011218378 [0,1,0,0,0,0|3,0,0]=4 5048 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,1,0,0,0,0|2,0,0]=3 5049 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,0|1,0,2]=4 5050 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,0|1,0,2]=4 5051 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,1,0,0,0,0|2,0,0]=3 5052 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,1,0,0,0,0|2,0,0]=3 5053 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,1,0,0,0,0|1,0,0]=2 5054 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,1,0,0,0,0|1,0,0]=2 5055 B10R0.55 CCC(O)CSCCN(C)C 62a_100011218378_100000755713 [0,1,0,0,0,0|3,0,0]=4 5056 B10R0.55 CCC(O)CSCOC(C)C 62a_100000709892_100011218378 [0,1,0,0,0,0|3,0,0]=4 5057 B10R0.55 CCC(O)CSCOC(C)C 62a_100011218378_100000709892 [0,1,0,0,0,0|3,0,0]=4 5058 B10R0.55 CCN(C)CCCCB(O)O 2230a_100000225621_200009817182 [0,1,0,0,0,0|3,0,0]=4 5059 B10R0.55 CCN(C)CCCCB(O)O 269982a_100000225621_200009817182 [0,1,0,0,0,0|3,0,0]=4 5060 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,0|1,0,2]=4 5061 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,1,0,0,0,0|2,0,0]=3 5062 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,1,0,0,0,0|2,0,0]=3 5063 B10R0.55 CCN(C)CCCCN(C)C 269982a_100000225621_100000690147 [0,1,0,0,0,0|3,0,0]=4 5064 B10R0.55 CCN(C)CCCNC(C)C 2230a_100138425928_100015186262 [0,1,0,0,0,0|3,0,0]=4 5065 B10R0.55 CCN(C)CCCSC(C)C 62a_100000210206_100015186262 [0,1,0,0,0,0|3,0,0]=4 5066 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,0,0,0,0|1,0,0]=2 5067 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,0,0,0,0|1,0,2]=4 5068 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,0,0,0,0|1,0,2]=4 5069 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,0,0,0,0|1,0,2]=4 5070 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,1,0,0,0,0|2,0,0]=3 5071 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,1,0,0,0,0|2,0,0]=3 5072 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,1,0,0,0,0|2,0,0]=3 5073 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,1,0,0,0,0|2,0,0]=3 5074 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,1,0,0,0,0|1,0,0]=2 5075 B10R0.55 CC[C@H](C)COCCC(F)F 34a_100103093639_100009816398 [0,1,0,0,0,0|3,0,0]=4 5076 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,1,0,0,0,0|3,0,0]=4 5077 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,1,0,0,0,0|2,0,0]=3 5078 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,0,0,0,0|1,0,2]=4 5079 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,0,0,0,0|1,0,2]=4 5080 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,1,0,0,0,0|2,0,0]=3 5081 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,1,0,0,0,0|2,0,0]=3 5082 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,1,0,0,0,0|1,0,0]=2 5083 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,1,0,0,0,0|1,0,0]=2 5084 B10R0.55 CC[C@H](C)CSCCN(C)C 62a_100009816398_100000755713 [0,1,0,0,0,0|3,0,0]=4 5085 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100000709892_100009816398 [0,1,0,0,0,0|3,0,0]=4 5086 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100009816398_100000709892 [0,1,0,0,0,0|3,0,0]=4 5087 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,1,0,0,0,0|2,0,1]=4 5088 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,1,0,0,0,0|2,0,1]=4 5089 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,1,0,0,0,0|2,0,1]=4 5090 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,1,0,0,0,0|2,0,1]=4 5091 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,1,0,0,0,0|2,0,1]=4 5092 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,1,0,0,0,0|2,0,1]=4 5093 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,1,0,0,0,0|2,0,1]=4 5094 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,1,0,0,0,0|2,0,1]=4 5095 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,1,0,0,0,0|2,0,1]=4 5096 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,1,0,0,0,0|2,0,1]=4 5097 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,1,0,0,0,0|2,0,1]=4 5098 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,1,0,0,0,0|2,0,1]=4 5099 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,1,0,0,0,0|2,0,1]=4 5100 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,1,0,0,0,0|2,0,1]=4 5101 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,1,0,0,0,0|2,0,1]=4 5102 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,1,0,0,0,0|2,0,1]=4 5103 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,1,0,0,0,0|2,0,1]=4 5104 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,1,0,0,0,0|2,0,1]=4 5105 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,1,0,0,0,0|2,0,1]=4 5106 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,1,0,0,0,0|2,0,1]=4 5107 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,1,0,0,0,0|2,0,1]=4 5108 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [0,1,0,0,0,0|3,0,0]=4 5109 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,0|2,0,1]=4 5110 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,0|2,0,1]=4 5111 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,1,0,0,0,0|2,0,1]=4 5112 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,1,0,0,0,0|2,0,1]=4 5113 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,1,0,0,0,0|2,0,1]=4 5114 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,1,0,0,0,0|2,0,1]=4 5115 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,0|2,0,1]=4 5116 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,1,0,0,0,0|2,0,1]=4 5117 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,1,0,0,0,0|2,0,1]=4 5118 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,1,0,0,0,0|3,0,0]=4 5119 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,1,0,0,0,0|2,0,0]=3 5120 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,1,0,0,0,0|2,0,0]=3 5121 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,1,0,0,0,0|3,0,0]=4 5122 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,1,0,0,0,0|2,0,0]=3 5123 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,1,0,0,0,0|3,0,0]=4 5124 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,1,0,0,0,0|3,0,0]=4 5125 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,1,0,0,0,0|2,0,0]=3 5126 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,1,0,0,0,0|2,0,0]=3 5127 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,1,0,0,0,0|3,0,0]=4 5128 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,1,0,0,0,0|3,0,0]=4 5129 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,1,0,0,0,0|2,0,0]=3 5130 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [0,1,0,0,0,0|3,0,0]=4 5131 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,1,0,0,0,0|3,0,0]=4 5132 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [0,1,0,0,0,0|3,0,0]=4 5133 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,1,0,0,0,0|3,0,0]=4 5134 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|0,0,3]=4 5135 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,1,0,0,0,0|2,0,0]=3 5136 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,1,0,0,0,0|2,0,0]=3 5137 B10R0.74 C#CC(C)NCCCCCF 2230a_100000707721_100000729378 [0,1,0,0,0,0|3,0,0]=4 5138 B10R0.74 C#CC(C)NCCCCCF 34a_100000707721_100000729378 [0,1,0,0,0,0|3,0,0]=4 5139 B10R0.74 C#CC(C)NCCCCCO 2230a_100000707721_100000746330 [0,1,0,0,0,0|3,0,0]=4 5140 B10R0.74 C#CC(C)NCCCCCO 34a_100000707721_100000746330 [0,1,0,0,0,0|3,0,0]=4 5141 B10R0.74 C#CC(C)NCCCCCO 34a_100000762737_200000035995 [0,1,0,0,0,0|3,0,0]=4 5142 B10R0.74 C#CC(C)NCCCCOC 2230a_100000707721_100000730899 [0,1,0,0,0,0|3,0,0]=4 5143 B10R0.74 C#CC(C)NCCCCOC 34a_100000707721_100000755781 [0,1,0,0,0,0|3,0,0]=4 5144 B10R0.74 C#CC(C)NCCCOCC 2230a_100000707721_100012232248 [0,1,0,0,0,0|3,0,0]=4 5145 B10R0.74 C#CC(C)NCCCOCC 34a_100000210961_200000035995 [0,1,0,0,0,0|3,0,0]=4 5146 B10R0.74 C#CC(C)NCCCOCC 34a_100000707721_100012232248 [0,1,0,0,0,0|3,0,0]=4 5147 B10R0.74 C#CC(C)NCCOCCC 2230a_100000707721_100011215938 [0,1,0,0,0,0|3,0,0]=4 5148 B10R0.74 C#CC(C)NCCOCCC 34a_100000707721_100011215938 [0,1,0,0,0,0|3,0,0]=4 5149 B10R0.74 C#CC(C)NCCOCCC 34a_100161115042_200000035995 [0,1,0,0,0,0|3,0,0]=4 5150 B10R0.74 C#CC(C)NCOCCCC 2230a_100000707721_100011995733 [0,1,0,0,0,0|3,0,0]=4 5151 B10R0.74 C#CC(C)NCOCCCC 34a_100000707721_100011995733 [0,1,0,0,0,0|3,0,0]=4 5152 B10R0.74 C#CC(C)OCCCCCBr 34a_100000746331_200000035995 [0,1,0,0,0,0|3,0,0]=4 5153 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,1,0,0,0,0|2,0,0]=3 5154 B10R0.74 C#CC(C)OCCCCCCl 34a_100000746330_200000035995 [0,1,0,0,0,0|3,0,0]=4 5155 B10R0.74 C#CC(C)OCCCCCI 34a_200012148887_200000035995 [0,1,0,0,0,0|3,0,0]=4 5156 B10R0.74 C#CC(C)OCCCCCN 34a_100000762737_200000035995 [0,1,0,0,0,0|3,0,0]=4 5157 B10R0.74 C#CC(C)OCCCCOC 34a_100000740925_200000035995 [0,1,0,0,0,0|3,0,0]=4 5158 B10R0.74 C#CC(C)OCCCCSC 34a_100011217163_200000035995 [0,1,0,0,0,0|3,0,0]=4 5159 B10R0.74 C#CC(C)OCCCOCC 34a_100000757476_200000035995 [0,1,0,0,0,0|3,0,0]=4 5160 B10R0.74 C#CC(C)OCCCSCC 34a_100011216438_200000035995 [0,1,0,0,0,0|3,0,0]=4 5161 B10R0.74 C#CC(C)OCCOCCC 34a_100000752267_200000035995 [0,1,0,0,0,0|3,0,0]=4 5162 B10R0.74 C#CC(C)OCCSCCC 34a_200000230433_200000035995 [0,1,0,0,0,0|3,0,0]=4 5163 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,1,0,0,0,0|2,0,0]=3 5164 B10R0.74 C#CC(C)SCCCCCF 62a_200000035995_100000729378 [0,1,0,0,0,0|3,0,0]=4 5165 B10R0.74 C#CC(C)SCCCCCO 62a_200000035995_100000746330 [0,1,0,0,0,0|3,0,0]=4 5166 B10R0.74 C#CC(C)SCCCCOC 62a_200000035995_100000730899 [0,1,0,0,0,0|3,0,0]=4 5167 B10R0.74 C#CC(C)SCCCOCC 62a_200000035995_100012232248 [0,1,0,0,0,0|3,0,0]=4 5168 B10R0.74 C#CC(C)SCCOCCC 62a_200000035995_100011215938 [0,1,0,0,0,0|3,0,0]=4 5169 B10R0.74 C#CC(C)SCOCCCC 62a_200000035995_100011995733 [0,1,0,0,0,0|3,0,0]=4 5170 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,1,0,0,0,0|1,0,1]=3 5171 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,1,0,0,0,0|1,0,1]=3 5172 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,1,0,0,0,0|1,0,1]=3 5173 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,1,0,0,0,0|1,0,1]=3 5174 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,1,0,0,0,0|1,0,1]=3 5175 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,1,0,0,0,0|1,0,1]=3 5176 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,1,0,0,0,0|1,0,1]=3 5177 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,1,0,0,0,0|1,0,1]=3 5178 B10R0.74 C#CCCCCNC(C)CO 2230a_100000706060_100012180447 [0,1,0,0,0,0|1,0,2]=4 5179 B10R0.74 C#CCCCCNC(C)CO 34a_100000706060_100012180447 [0,1,0,0,0,0|1,0,2]=4 5180 B10R0.74 C#CCCCCN[C@H](C)CO 2230a_100000737577_100010269958 [0,1,0,0,0,0|1,0,2]=4 5181 B10R0.74 C#CCCCCOC(C)CO 34a_100000766709_100012180447 [0,1,0,0,0,0|1,0,2]=4 5182 B10R0.74 C#CCCCCOC(C)CO 7a_100000766709_100012180447 [0,1,0,0,0,0|1,0,2]=4 5183 B10R0.74 C#CCCCCSC(C)CO 62a_100012180447_100010269958 [0,1,0,0,0,0|1,0,2]=4 5184 B10R0.74 C#CCCCCSC(C)OC 62a_100009879195_100010269958 [0,1,0,0,0,0|1,0,2]=4 5185 B10R0.74 C#CCCCCSC(C)OC 62a_100010269958_100009879195 [0,1,0,0,0,0|1,0,2]=4 5186 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100010269958_100016084084 [0,1,0,0,0,0|1,0,2]=4 5187 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100016084084_100010269958 [0,1,0,0,0,0|1,0,2]=4 5188 B10R0.74 C#CCCCNCC(C)CO 34a_100000744482_100000695029 [0,1,0,0,0,0|1,0,2]=4 5189 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,1,0,0,0,0|1,0,2]=4 5190 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,1,0,0,0,0|1,0,2]=4 5191 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,1,0,0,0,0|1,0,2]=4 5192 B10R0.74 C#CCCCNC[C@@H](C)CO 34a_100000718082_100000059175 [0,1,0,0,0,0|1,0,2]=4 5193 B10R0.74 C#CCCCNC[C@@H](C)OC 2230a_100020591295_100000731252 [0,1,0,0,0,0|1,0,2]=4 5194 B10R0.74 C#CCCCNC[C@@H](O)CF 34a_100000718082_100015614560 [0,1,0,0,0,0|1,0,2]=4 5195 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,1,0,0,0,0|1,0,2]=4 5196 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,1,0,0,0,0|1,0,2]=4 5197 B10R0.74 C#CCCCOCC(C)OC 34a_100000690652_100000695029 [0,1,0,0,0,0|1,0,2]=4 5198 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,1,0,0,0,0|1,0,2]=4 5199 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,1,0,0,0,0|1,0,2]=4 5200 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,1,0,0,0,0|1,0,2]=4 5201 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,1,0,0,0,0|1,0,2]=4 5202 B10R0.74 C#CCCCOC[C@@H](C)CO 34a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 5203 B10R0.74 C#CCCCOC[C@@H](C)CO 7a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 5204 B10R0.74 C#CCCCOC[C@@H](O)CF 34a_100000215630_100015614560 [0,1,0,0,0,0|1,0,2]=4 5205 B10R0.74 C#CCCCOC[C@@H](O)CF 7a_100000215630_100015614560 [0,1,0,0,0,0|1,0,2]=4 5206 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,1,0,0,0,0|1,0,2]=4 5207 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,1,0,0,0,0|1,0,2]=4 5208 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,1,0,0,0,0|1,0,2]=4 5209 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,1,0,0,0,0|1,0,2]=4 5210 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,1,0,0,0,0|1,0,2]=4 5211 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,1,0,0,0,0|1,0,2]=4 5212 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100000059175_100011215417 [0,1,0,0,0,0|1,0,2]=4 5213 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100011215417_100000059175 [0,1,0,0,0,0|1,0,2]=4 5214 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100011215417_100015614560 [0,1,0,0,0,0|1,0,2]=4 5215 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100015614560_100011215417 [0,1,0,0,0,0|1,0,2]=4 5216 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,1,0,0,0,0|1,0,2]=4 5217 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,1,0,0,0,0|1,0,2]=4 5218 B10R0.74 C#CCCNCCC(C)CO 2230a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 5219 B10R0.74 C#CCCNCCC(C)CO 34a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 5220 B10R0.74 C#CCCOCCC(C)OC 7a_100000764861_100000688953 [0,1,0,0,0,0|1,0,2]=4 5221 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,1,0,0,0,0|2,0,0]=3 5222 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,1,0,0,0,0|2,0,0]=3 5223 B10R0.74 C#C[C@@H](C)OCCCCCF 34a_100009815206_100000729378 [0,1,0,0,0,0|3,0,0]=4 5224 B10R0.74 C#C[C@@H](C)OCCCCCF 7a_100009815206_100000729378 [0,1,0,0,0,0|3,0,0]=4 5225 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [0,1,0,0,0,0|3,0,0]=4 5226 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [0,1,0,0,0,0|3,0,0]=4 5227 B10R0.74 C#C[C@@H](C)OCCCCOC 34a_100009815206_100000755781 [0,1,0,0,0,0|3,0,0]=4 5228 B10R0.74 C#C[C@@H](C)OCCCCOC 7a_100009815206_100000730899 [0,1,0,0,0,0|3,0,0]=4 5229 B10R0.74 C#C[C@@H](C)OCCCOCC 34a_100009815206_100012232248 [0,1,0,0,0,0|3,0,0]=4 5230 B10R0.74 C#C[C@@H](C)OCCCOCC 7a_100009815206_100012232248 [0,1,0,0,0,0|3,0,0]=4 5231 B10R0.74 C#C[C@@H](C)OCCOCCC 34a_100009815206_100011215938 [0,1,0,0,0,0|3,0,0]=4 5232 B10R0.74 C#C[C@@H](C)OCCOCCC 7a_100009815206_100011215938 [0,1,0,0,0,0|3,0,0]=4 5233 B10R0.74 C#C[C@@H](C)OCOCCCC 34a_100009815206_100011995733 [0,1,0,0,0,0|3,0,0]=4 5234 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,1,0,0,0,0|1,0,2]=4 5235 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,1,0,0,0,0|1,0,2]=4 5236 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,1,0,0,0,0|1,0,2]=4 5237 B10R0.74 C/C=C/CCOC[C@@H](O)CF 34a_100016278192_100015614560 [0,1,0,0,0,0|1,0,2]=4 5238 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,1,0,0,0,0|1,0,2]=4 5239 B10R0.74 C/C=C/CNCCC(C)CO 34a_106354213184_100102629194 [0,1,0,0,0,0|1,0,2]=4 5240 B10R0.74 C/C=C/COCCC(C)OC 7a_100000764861_100102629194 [0,1,0,0,0,0|1,0,2]=4 5241 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|0,0,3]=4 5242 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,1,0,0,0,0|2,0,0]=3 5243 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,1,0,0,0,0|2,0,0]=3 5244 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,1,0,0,0,0|3,0,0]=4 5245 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,1,0,0,0,0|3,0,0]=4 5246 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,1,0,0,0,0|3,0,0]=4 5247 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,1,0,0,0,0|3,0,0]=4 5248 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,1,0,0,0,0|3,0,0]=4 5249 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,1,0,0,0,0|3,0,0]=4 5250 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,1,0,0,0,0|3,0,0]=4 5251 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,1,0,0,0,0|3,0,0]=4 5252 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,1,0,0,0,0|3,0,0]=4 5253 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,1,0,0,0,0|3,0,0]=4 5254 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,1,0,0,0,0|2,0,0]=3 5255 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [0,1,0,0,0,0|3,0,0]=4 5256 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,1,0,0,0,0|3,0,0]=4 5257 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [0,1,0,0,0,0|3,0,0]=4 5258 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [0,1,0,0,0,0|3,0,0]=4 5259 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,1,0,0,0,0|3,0,0]=4 5260 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,1,0,0,0,0|3,0,0]=4 5261 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,1,0,0,0,0|2,0,0]=3 5262 B10R0.74 C=CC(C)SCCCCCF 62a_100011215867_100000729378 [0,1,0,0,0,0|3,0,0]=4 5263 B10R0.74 C=CC(C)SCCCCCO 62a_100011215867_100000746330 [0,1,0,0,0,0|3,0,0]=4 5264 B10R0.74 C=CC(C)SCCCCOC 62a_100011215867_100000730899 [0,1,0,0,0,0|3,0,0]=4 5265 B10R0.74 C=CC(C)SCCCOCC 62a_100011215867_100012232248 [0,1,0,0,0,0|3,0,0]=4 5266 B10R0.74 C=CC(C)SCCOCCC 62a_100011215867_100011215938 [0,1,0,0,0,0|3,0,0]=4 5267 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,1,0,0,0,0|3,0,0]=4 5268 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|1,0,1]=3 5269 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,1,0,0,0,0|2,0,1]=4 5270 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,1,0,0,0,0|2,0,1]=4 5271 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,1,0,0,0,0|2,0,1]=4 5272 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,1,0,0,0,0|2,0,1]=4 5273 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,1,0,0,0,0|2,0,1]=4 5274 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,1,0,0,0,0|2,0,1]=4 5275 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,1,0,0,0,0|2,0,1]=4 5276 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,1,0,0,0,0|2,0,1]=4 5277 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|1,0,1]=3 5278 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|1,0,1]=3 5279 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,1,0,0,0,0|2,0,1]=4 5280 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,1,0,0,0,0|2,0,1]=4 5281 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,1,0,0,0,0|2,0,1]=4 5282 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,1,0,0,0,0|2,0,1]=4 5283 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,1,0,0,0,0|2,0,1]=4 5284 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,1,0,0,0,0|2,0,1]=4 5285 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,1,0,0,0,0|2,0,1]=4 5286 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,1,0,0,0,0|2,0,1]=4 5287 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,1,0,0,0,0|2,0,1]=4 5288 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,1,0,0,0,0|2,0,1]=4 5289 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,1,0,0,0,0|2,0,1]=4 5290 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,1,0,0,0,0|2,0,1]=4 5291 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,1,0,0,0,0|2,0,1]=4 5292 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,1,0,0,0,0|2,0,1]=4 5293 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|1,0,1]=3 5294 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|1,0,1]=3 5295 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,1,0,0,0,0|2,0,1]=4 5296 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,1,0,0,0,0|2,0,1]=4 5297 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,1,0,0,0,0|2,0,1]=4 5298 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,1,0,0,0,0|2,0,1]=4 5299 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,1,0,0,0,0|2,0,1]=4 5300 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,1,0,0,0,0|2,0,1]=4 5301 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,1,0,0,0,0|2,0,1]=4 5302 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,1,0,0,0,0|2,0,1]=4 5303 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,1,0,0,0,0|2,0,1]=4 5304 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,1,0,0,0,0|2,0,1]=4 5305 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 5306 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 5307 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,1,0,0,0,0|1,0,2]=4 5308 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 5309 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 5310 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,1,0,0,0,0|1,0,2]=4 5311 B10R0.74 C=CCCCCSC(C)OC 62a_100009879195_100011215482 [0,1,0,0,0,0|1,0,2]=4 5312 B10R0.74 C=CCCCCSC(C)OC 62a_100011215482_100009879195 [0,1,0,0,0,0|1,0,2]=4 5313 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,1,0,0,0,0|1,0,2]=4 5314 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,1,0,0,0,0|1,0,2]=4 5315 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,1,0,0,0,0|1,0,2]=4 5316 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 5317 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|1,0,2]=4 5318 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 5319 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,1,0,0,0,0|1,0,2]=4 5320 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,1,0,0,0,0|1,0,2]=4 5321 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 5322 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 5323 B10R0.74 C=CCCCNC[C@@H](C)OC 2230a_100020591295_100011713584 [0,1,0,0,0,0|1,0,2]=4 5324 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,1,0,0,0,0|1,0,2]=4 5325 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,1,0,0,0,0|1,0,2]=4 5326 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,1,0,0,0,0|1,0,2]=4 5327 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,1,0,0,0,0|1,0,2]=4 5328 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,1,0,0,0,0|1,0,2]=4 5329 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,1,0,0,0,0|1,0,2]=4 5330 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|1,0,2]=4 5331 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|1,0,2]=4 5332 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 5333 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 5334 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 5335 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 5336 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 5337 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 5338 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 5339 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 5340 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|1,0,2]=4 5341 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|1,0,2]=4 5342 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,1,0,0,0,0|1,0,2]=4 5343 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,1,0,0,0,0|1,0,2]=4 5344 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,1,0,0,0,0|1,0,2]=4 5345 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,1,0,0,0,0|1,0,2]=4 5346 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,1,0,0,0,0|1,0,2]=4 5347 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,1,0,0,0,0|1,0,2]=4 5348 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,1,0,0,0,0|1,0,2]=4 5349 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,1,0,0,0,0|1,0,2]=4 5350 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 5351 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 5352 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,1,0,0,0,0|1,0,2]=4 5353 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|2,0,1]=4 5354 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,1,0,0,0,0|1,0,2]=4 5355 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,1,0,0,0,0|1,0,2]=4 5356 B10R0.74 CC#CCCOC[C@@H](C)CO 34a_100000750427_100000059175 [0,1,0,0,0,0|1,0,2]=4 5357 B10R0.74 CC#CCCOC[C@@H](O)CF 34a_100000750427_100015614560 [0,1,0,0,0,0|1,0,2]=4 5358 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,1,0,0,0,0|1,0,2]=4 5359 B10R0.74 CC#CCNCCC(C)CO 2230a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 5360 B10R0.74 CC#CCNCCC(C)CO 34a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 5361 B10R0.74 CC#CCOCCC(C)OC 7a_100000764861_100000748600 [0,1,0,0,0,0|1,0,2]=4 5362 B10R0.74 CC(C#N)NCCCCCF 2230a_100000737613_100000729378 [0,1,0,0,0,0|3,0,0]=4 5363 B10R0.74 CC(C#N)NCCCCCO 2230a_100000737613_100000746330 [0,1,0,0,0,0|3,0,0]=4 5364 B10R0.74 CC(C#N)NCCCCCO 2230a_100000762737_100000184139 [0,1,0,0,0,0|3,0,0]=4 5365 B10R0.74 CC(C#N)OCCCCCBr 7a_100000746331_100000703298 [0,1,0,0,0,0|3,0,0]=4 5366 B10R0.74 CC(C#N)OCCCCCCl 7a_100000746330_100000703298 [0,1,0,0,0,0|3,0,0]=4 5367 B10R0.74 CC(C#N)OCCCCCF 34a_100011218135_100000729378 [0,1,0,0,0,0|3,0,0]=4 5368 B10R0.74 CC(C#N)OCCCCCI 7a_200012148887_100000703298 [0,1,0,0,0,0|3,0,0]=4 5369 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [0,1,0,0,0,0|3,0,0]=4 5370 B10R0.74 CC(C#N)SCCCCCF 62a_100000703298_100000729378 [0,1,0,0,0,0|3,0,0]=4 5371 B10R0.74 CC(C#N)SCCCCCF 62a_100000729378_100000703298 [0,1,0,0,0,0|3,0,0]=4 5372 B10R0.74 CC(C#N)SCCCCCO 62a_100000703298_100000746330 [0,1,0,0,0,0|3,0,0]=4 5373 B10R0.74 CC(C#N)SCCCCCO 62a_100000746330_100000703298 [0,1,0,0,0,0|3,0,0]=4 5374 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 5375 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 5376 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,1,0,0,0,0|3,0,0]=4 5377 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,1,0,0,0,0|3,0,0]=4 5378 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|3,0,0]=4 5379 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|3,0,0]=4 5380 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 5381 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|3,0,0]=4 5382 B10R0.74 CC(CO)CCNCCC#N 2230a_106354213184_100011215226 [0,1,0,0,0,0|2,0,1]=4 5383 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 5384 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 5385 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 5386 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 5387 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|2,0,0]=3 5388 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|2,0,0]=3 5389 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 5390 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 5391 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 5392 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 5393 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [0,1,0,0,0,0|3,0,0]=4 5394 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 5395 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 5396 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 5397 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 5398 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 5399 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 5400 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 5401 B10R0.74 CC(CO)OCCOCCBr 34a_100000692535_100012180447 [0,1,0,0,0,0|3,0,0]=4 5402 B10R0.74 CC(CO)OCCOCCBr 7a_100000692535_100012180447 [0,1,0,0,0,0|3,0,0]=4 5403 B10R0.74 CC(CO)OCCOCCCl 34a_100011215305_100012180447 [0,1,0,0,0,0|3,0,0]=4 5404 B10R0.74 CC(CO)OCCOCCCl 7a_100011215305_100012180447 [0,1,0,0,0,0|3,0,0]=4 5405 B10R0.74 CC(CO)OCCOCCF 34a_200015357709_100012180447 [0,1,0,0,0,0|3,0,0]=4 5406 B10R0.74 CC(CO)OCCOCCF 7a_200015357709_100012180447 [0,1,0,0,0,0|3,0,0]=4 5407 B10R0.74 CC(CO)OCCOCCI 34a_100012149058_100012180447 [0,1,0,0,0,0|3,0,0]=4 5408 B10R0.74 CC(CO)OCCOCCI 7a_100012149058_100012180447 [0,1,0,0,0,0|3,0,0]=4 5409 B10R0.74 CC(CO)OCCOCCN 34a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 5410 B10R0.74 CC(CO)SCCCCC#N 62a_100012180447_100000211819 [0,1,0,0,0,0|2,0,1]=4 5411 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,1,0,0,0,0|2,0,1]=4 5412 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,1,0,0,0,0|2,0,0]=3 5413 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,0,0,0,0|2,0,0]=3 5414 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [0,1,0,0,0,0|3,0,0]=4 5415 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,1,0,0,0,0|1,0,2]=4 5416 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 5417 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 5418 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,1,0,0,0,0|1,0,2]=4 5419 B10R0.74 CC/C=C\CCSC(C)OC 62a_100009879195_100015370543 [0,1,0,0,0,0|1,0,2]=4 5420 B10R0.74 CC/C=C\CCSC(C)OC 62a_100015370543_100009879195 [0,1,0,0,0,0|1,0,2]=4 5421 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,1,0,0,0,0|1,0,2]=4 5422 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,1,0,0,0,0|1,0,2]=4 5423 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,1,0,0,0,0|1,0,2]=4 5424 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,1,0,0,0,0|1,0,2]=4 5425 B10R0.74 CC/C=C\CNC[C@@H](C)OC 2230a_100020591295_100103147603 [0,1,0,0,0,0|1,0,2]=4 5426 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,1,0,0,0,0|1,0,2]=4 5427 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,1,0,0,0,0|1,0,2]=4 5428 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,1,0,0,0,0|1,0,2]=4 5429 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,1,0,0,0,0|1,0,2]=4 5430 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,1,0,0,0,0|1,0,2]=4 5431 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,1,0,0,0,0|1,0,2]=4 5432 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,1,0,0,0,0|1,0,2]=4 5433 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,1,0,0,0,0|1,0,2]=4 5434 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,1,0,0,0,0|1,0,2]=4 5435 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,1,0,0,0,0|1,0,2]=4 5436 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,1,0,0,0,0|1,0,2]=4 5437 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,1,0,0,0,0|1,0,2]=4 5438 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,1,0,0,0,0|1,0,2]=4 5439 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,1,0,0,0,0|1,0,2]=4 5440 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,1,0,0,0,0|1,0,2]=4 5441 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,1,0,0,0,0|1,0,2]=4 5442 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,1,0,0,0,0|1,0,2]=4 5443 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,1,0,0,0,0|1,0,2]=4 5444 B10R0.74 CC=CCNCCC(C)CO 2230a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 5445 B10R0.74 CC=CCNCCC(C)CO 34a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 5446 B10R0.74 CC=CCOCCC(C)OC 7a_100000764861_100000070051 [0,1,0,0,0,0|1,0,2]=4 5447 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 5448 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 5449 B10R0.74 CCC#CCNCC(C)CO 34a_100000744482_100009813939 [0,1,0,0,0,0|1,0,2]=4 5450 B10R0.74 CCC#CCNCC(O)CC 2230a_100011218483_100009813939 [0,1,0,0,0,0|1,0,2]=4 5451 B10R0.74 CCC#CCNC[C@@H](C)OC 2230a_100020591295_100009813939 [0,1,0,0,0,0|1,0,2]=4 5452 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,1,0,0,0,0|1,0,2]=4 5453 B10R0.74 CCC#CCOCC(C)OC 34a_100000690652_100009813939 [0,1,0,0,0,0|1,0,2]=4 5454 B10R0.74 CCC#CCOCC(O)CC 34a_100000032950_100011218378 [0,1,0,0,0,0|1,0,2]=4 5455 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,1,0,0,0,0|1,0,2]=4 5456 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,1,0,0,0,0|1,0,2]=4 5457 B10R0.74 CCC#CCOC[C@@H](O)CF 34a_100000032950_100015614560 [0,1,0,0,0,0|1,0,2]=4 5458 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,1,0,0,0,0|1,0,2]=4 5459 B10R0.74 CCC#CCSCC(O)CC 62a_100009813939_100011218378 [0,1,0,0,0,0|1,0,2]=4 5460 B10R0.74 CCC#CCSCC(O)CC 62a_100011218378_100009813939 [0,1,0,0,0,0|1,0,2]=4 5461 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,1,0,0,0,0|1,0,2]=4 5462 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,1,0,0,0,0|1,0,2]=4 5463 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100000059175_100009813939 [0,1,0,0,0,0|1,0,2]=4 5464 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100009813939_100000059175 [0,1,0,0,0,0|1,0,2]=4 5465 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100009813939_100015614560 [0,1,0,0,0,0|1,0,2]=4 5466 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100015614560_100009813939 [0,1,0,0,0,0|1,0,2]=4 5467 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,1,0,0,0,0|1,0,2]=4 5468 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,1,0,0,0,0|1,0,2]=4 5469 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,2]=4 5470 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|1,0,2]=4 5471 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|1,0,2]=4 5472 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|1,0,2]=4 5473 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|2,0,0]=3 5474 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|2,0,0]=3 5475 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|3,0,0]=4 5476 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|3,0,0]=4 5477 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|3,0,0]=4 5478 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|3,0,0]=4 5479 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,1,0,0,0,0|3,0,0]=4 5480 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,1,0,0,0,0|3,0,0]=4 5481 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|3,0,0]=4 5482 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|3,0,0]=4 5483 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,1,0,0,0,0|3,0,0]=4 5484 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,1,0,0,0,0|3,0,0]=4 5485 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,1,0,0,0,0|3,0,0]=4 5486 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|3,0,0]=4 5487 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|3,0,0]=4 5488 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|3,0,0]=4 5489 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|3,0,0]=4 5490 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,0,0,0,0|3,0,0]=4 5491 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,0,0,0,0|3,0,0]=4 5492 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,0,0,0,0|3,0,0]=4 5493 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,1,0,0,0,0|3,0,0]=4 5494 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,1,0,0,0,0|3,0,0]=4 5495 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,1,0,0,0,0|3,0,0]=4 5496 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,1,0,0,0,0|3,0,0]=4 5497 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,1,0,0,0,0|3,0,0]=4 5498 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,1,0,0,0,0|3,0,0]=4 5499 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,1,0,0,0,0|3,0,0]=4 5500 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,1,0,0,0,0|3,0,0]=4 5501 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,1,0,0,0,0|3,0,0]=4 5502 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,1,0,0,0,0|3,0,0]=4 5503 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,1,0,0,0,0|3,0,0]=4 5504 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 5505 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 5506 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,1,0,0,0,0|3,0,0]=4 5507 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,1,0,0,0,0|3,0,0]=4 5508 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|3,0,0]=4 5509 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|3,0,0]=4 5510 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,1,0,0,0,0|3,0,0]=4 5511 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,1,0,0,0,0|3,0,0]=4 5512 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|3,0,0]=4 5513 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|3,0,0]=4 5514 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|3,0,0]=4 5515 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 5516 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,1,0,0,0,0|3,0,0]=4 5517 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|3,0,0]=4 5518 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|3,0,0]=4 5519 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|3,0,0]=4 5520 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 5521 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|3,0,0]=4 5522 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|3,0,0]=4 5523 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|3,0,0]=4 5524 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 5525 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|3,0,0]=4 5526 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,1,0,0,0,0|3,0,0]=4 5527 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,1,0,0,0,0|3,0,0]=4 5528 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,1,0,0,0,0|3,0,0]=4 5529 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,1,0,0,0,0|3,0,0]=4 5530 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|3,0,0]=4 5531 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|3,0,0]=4 5532 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 5533 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|3,0,0]=4 5534 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,1,0,0,0,0|3,0,0]=4 5535 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,1,0,0,0,0|3,0,0]=4 5536 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,1,0,0,0,0|2,0,1]=4 5537 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|2,0,1]=4 5538 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,0,0,0,0|2,0,0]=3 5539 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 5540 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|2,0,0]=3 5541 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 5542 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,0,0,0,0|2,0,0]=3 5543 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,0,0,0,0|2,0,0]=3 5544 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,0,0,0,0|2,0,0]=3 5545 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,1,0,0,0,0|2,0,0]=3 5546 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 5547 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 5548 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,1,0,0,0,0|2,0,0]=3 5549 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,1,0,0,0,0|2,0,0]=3 5550 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,1,0,0,0,0|2,0,0]=3 5551 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 5552 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,1,0,0,0,0|2,0,0]=3 5553 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,0,0,0,0|2,0,0]=3 5554 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,1,0,0,0,0|2,0,0]=3 5555 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,1,0,0,0,0|2,0,0]=3 5556 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,1,0,0,0,0|2,0,1]=4 5557 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,1,0,0,0,0|2,0,1]=4 5558 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|2,0,1]=4 5559 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|2,0,1]=4 5560 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,1,0,0,0,0|2,0,0]=3 5561 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,1,0,0,0,0|2,0,0]=3 5562 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 5563 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|2,0,0]=3 5564 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,0,0,0,0|2,0,0]=3 5565 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,0,0,0,0|2,0,0]=3 5566 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 5567 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 5568 B10R0.74 CCCC#CCOC(C)CO 34a_100000034806_100012180447 [0,1,0,0,0,0|1,0,2]=4 5569 B10R0.74 CCCC#CCOC(C)CO 7a_100000034806_100012180447 [0,1,0,0,0,0|1,0,2]=4 5570 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,1,0,0,0,0|2,0,1]=4 5571 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|0,0,2]=3 5572 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|0,0,2]=3 5573 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|0,0,2]=3 5574 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,2]=3 5575 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|0,0,2]=3 5576 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|0,0,2]=3 5577 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|0,0,2]=3 5578 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|0,0,2]=3 5579 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|1,0,0]=2 5580 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|1,0,0]=2 5581 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|1,0,0]=2 5582 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|1,0,0]=2 5583 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|0,0,0]=1 5584 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|0,0,0]=1 5585 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|0,0,0]=1 5586 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|0,0,0]=1 5587 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|0,0,0]=1 5588 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|0,1,0]=2 5589 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|0,1,0]=2 5590 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|0,1,0]=2 5591 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|0,1,0]=2 5592 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 5593 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|2,0,0]=3 5594 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 5595 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 5596 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|2,0,0]=3 5597 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 5598 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|2,0,0]=3 5599 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 5600 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 5601 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 5602 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 5603 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 5604 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 5605 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 5606 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 5607 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|1,0,2]=4 5608 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 5609 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 5610 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 5611 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 5612 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|1,0,2]=4 5613 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,1,0,0,0,0|2,0,0]=3 5614 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,1,0,0,0,0|2,0,0]=3 5615 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,0]=3 5616 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,0]=3 5617 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|1,0,0]=2 5618 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|1,0,0]=2 5619 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,1,0,0,0,0|2,0,0]=3 5620 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,1,0,0,0,0|2,0,0]=3 5621 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,0]=3 5622 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,0]=3 5623 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,0]=3 5624 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|2,0,0]=3 5625 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|2,0,0]=3 5626 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,0]=3 5627 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|1,0,0]=2 5628 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|1,0,0]=2 5629 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,1,0,0,0,0|2,0,0]=3 5630 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,1,0,0,0,0|2,0,0]=3 5631 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,0]=3 5632 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,0]=3 5633 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|1,0,0]=2 5634 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|1,0,0]=2 5635 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|1,0,0]=2 5636 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,1,0,0,0,0|2,0,1]=4 5637 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,1,0,0,0,0|2,0,1]=4 5638 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|1,0,0]=2 5639 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|1,0,0]=2 5640 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,0,0,0,0|1,0,2]=4 5641 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,0,0,0,0|1,0,2]=4 5642 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,0,0,0,0|1,0,2]=4 5643 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|2,0,0]=3 5644 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|2,0,0]=3 5645 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|2,0,0]=3 5646 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,0]=2 5647 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|1,0,0]=2 5648 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|1,0,0]=2 5649 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,0]=2 5650 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|2,0,0]=3 5651 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|1,0,0]=2 5652 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|1,0,0]=2 5653 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,0]=3 5654 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|1,0,0]=2 5655 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,0]=2 5656 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,0]=2 5657 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|2,0,1]=4 5658 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|1,0,2]=4 5659 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|1,0,2]=4 5660 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,0,0,0,0|1,0,2]=4 5661 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,0,0,0,0|1,0,2]=4 5662 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,0,0,0,0|1,0,2]=4 5663 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,0,0,0,0|1,0,2]=4 5664 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,0,0,0,0|1,0,2]=4 5665 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|2,0,0]=3 5666 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|2,0,0]=3 5667 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,0]=3 5668 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|1,0,0]=2 5669 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|2,0,0]=3 5670 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|1,0,0]=2 5671 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|1,0,0]=2 5672 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,0]=2 5673 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,0]=2 5674 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|2,0,0]=3 5675 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|2,0,0]=3 5676 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|2,0,0]=3 5677 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 5678 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 5679 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|1,0,0]=2 5680 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|1,0,0]=2 5681 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,0]=2 5682 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,0]=2 5683 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,0]=3 5684 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|1,0,2]=4 5685 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|1,0,2]=4 5686 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,0,0,0,0|1,0,2]=4 5687 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,0,0,0,0|1,0,2]=4 5688 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,0,0,0,0|1,0,2]=4 5689 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,0,0,0,0|1,0,2]=4 5690 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|2,0,0]=3 5691 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|2,0,0]=3 5692 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|1,0,0]=2 5693 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|1,0,0]=2 5694 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,0]=2 5695 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,0]=2 5696 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|2,0,0]=3 5697 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|2,0,0]=3 5698 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,0,0]=2 5699 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,0,0]=2 5700 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|1,0,0]=2 5701 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|1,0,0]=2 5702 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,0]=2 5703 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,0]=2 5704 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,0,0,0,0|1,0,2]=4 5705 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,0,0,0,0|1,0,2]=4 5706 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,0,0,0,0|1,0,2]=4 5707 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,0,0,0,0|1,0,2]=4 5708 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|1,0,2]=4 5709 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|1,0,2]=4 5710 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|2,0,0]=3 5711 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|1,0,0]=2 5712 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,0]=2 5713 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,1,0,0,0,0|2,0,1]=4 5714 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,0,0,0,0|2,0,1]=4 5715 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|1,0,2]=4 5716 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,2]=4 5717 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,0,0,0,0|1,0,2]=4 5718 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,0,0,0,0|1,0,2]=4 5719 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,0,0,0,0|1,0,2]=4 5720 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|1,0,2]=4 5721 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|1,0,2]=4 5722 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|2,0,0]=3 5723 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|1,0,0]=2 5724 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,1,0,0,0,0|3,0,0]=4 5725 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,1,0,0,0,0|3,0,0]=4 5726 B10R0.74 CCCCOCNC(C)C#N 2230a_100000737613_100011995733 [0,1,0,0,0,0|3,0,0]=4 5727 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,1,0,0,0,0|3,0,0]=4 5728 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,1,0,0,0,0|2,0,0]=3 5729 B10R0.74 CCCCOCOC(C)C#N 34a_100011218135_100011995733 [0,1,0,0,0,0|3,0,0]=4 5730 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,1,0,0,0,0|3,0,0]=4 5731 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,1,0,0,0,0|3,0,0]=4 5732 B10R0.74 CCCCOCSC(C)C#N 62a_100000703298_100011995733 [0,1,0,0,0,0|3,0,0]=4 5733 B10R0.74 CCCCOCSC(C)C#N 62a_100011995733_100000703298 [0,1,0,0,0,0|3,0,0]=4 5734 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,1,0,0,0,0|3,0,0]=4 5735 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,1,0,0,0,0|3,0,0]=4 5736 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,1,0,0,0,0|2,0,0]=3 5737 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,1,0,0,0,0|2,0,0]=3 5738 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,1,0,0,0,0|2,0,0]=3 5739 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,1,0,0,0,0|2,0,0]=3 5740 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,1,0,0,0,0|2,0,0]=3 5741 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,0,0,0,0|1,0,2]=4 5742 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,0,0,0,0|1,0,2]=4 5743 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|1,0,2]=4 5744 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|1,0,2]=4 5745 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,0,0,0,0|1,0,2]=4 5746 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,0,0,0,0|1,0,2]=4 5747 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,0,0,0,0|1,0,2]=4 5748 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|1,0,2]=4 5749 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,0]=3 5750 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|2,0,0]=3 5751 B10R0.74 CCCOCCNC(C)C#N 2230a_100000737613_100011215938 [0,1,0,0,0,0|3,0,0]=4 5752 B10R0.74 CCCOCCNC(C)C#N 2230a_100161115042_100000184139 [0,1,0,0,0,0|3,0,0]=4 5753 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,1,0,0,0,0|3,0,0]=4 5754 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,1,0,0,0,0|3,0,0]=4 5755 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,1,0,0,0,0|3,0,0]=4 5756 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 5757 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 5758 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,1,0,0,0,0|2,0,0]=3 5759 B10R0.74 CCCOCCOC(C)C#N 34a_100011218135_100011215938 [0,1,0,0,0,0|3,0,0]=4 5760 B10R0.74 CCCOCCOC(C)C#N 7a_100000752267_100000703298 [0,1,0,0,0,0|3,0,0]=4 5761 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,0,0,0,0|3,0,0]=4 5762 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,0,0,0,0|3,0,0]=4 5763 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,0,0,0,0|3,0,0]=4 5764 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,1,0,0,0,0|3,0,0]=4 5765 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,1,0,0,0,0|3,0,0]=4 5766 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,1,0,0,0,0|3,0,0]=4 5767 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,0,0,0,0|2,0,0]=3 5768 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,0,0,0,0|2,0,0]=3 5769 B10R0.74 CCCOCCSC(C)C#N 62a_100000703298_100011215938 [0,1,0,0,0,0|3,0,0]=4 5770 B10R0.74 CCCOCCSC(C)C#N 62a_100011215938_100000703298 [0,1,0,0,0,0|3,0,0]=4 5771 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,1,0,0,0,0|3,0,0]=4 5772 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,1,0,0,0,0|3,0,0]=4 5773 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,1,0,0,0,0|2,0,0]=3 5774 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,1,0,0,0,0|2,0,0]=3 5775 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,1,0,0,0,0|2,0,0]=3 5776 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,1,0,0,0,0|2,0,0]=3 5777 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,1,0,0,0,0|2,0,0]=3 5778 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,0,0,0,0|1,0,2]=4 5779 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,0,0,0,0|1,0,2]=4 5780 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|1,0,2]=4 5781 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|1,0,2]=4 5782 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,1,0,0,0,0|3,0,0]=4 5783 B10R0.74 CCCSCCNC(C)C#N 2230a_100020603323_100000184139 [0,1,0,0,0,0|3,0,0]=4 5784 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,1,0,0,0,0|3,0,0]=4 5785 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,1,0,0,0,0|2,0,0]=3 5786 B10R0.74 CCCSCCOC(C)C#N 7a_200000230433_100000703298 [0,1,0,0,0,0|3,0,0]=4 5787 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,1,0,0,0,0|3,0,0]=4 5788 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,1,0,0,0,0|3,0,0]=4 5789 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,1,0,0,0,0|2,0,0]=3 5790 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,1,0,0,0,0|2,0,0]=3 5791 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|3,0,0]=4 5792 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|3,0,0]=4 5793 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|3,0,0]=4 5794 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|3,0,0]=4 5795 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,0,0,0,0|1,0,2]=4 5796 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,0,0,0,0|1,0,2]=4 5797 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,0,0,0,0|1,0,2]=4 5798 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,0,0,0,0|1,0,2]=4 5799 B10R0.74 CCOCCCNC(C)C#N 2230a_100000210961_100000184139 [0,1,0,0,0,0|3,0,0]=4 5800 B10R0.74 CCOCCCNC(C)C#N 2230a_100000737613_100012232248 [0,1,0,0,0,0|3,0,0]=4 5801 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,1,0,0,0,0|3,0,0]=4 5802 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,1,0,0,0,0|3,0,0]=4 5803 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,1,0,0,0,0|3,0,0]=4 5804 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,1,0,0,0,0|2,0,0]=3 5805 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,1,0,0,0,0|2,0,0]=3 5806 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,1,0,0,0,0|2,0,0]=3 5807 B10R0.74 CCOCCCOC(C)C#N 34a_100011218135_100012232248 [0,1,0,0,0,0|3,0,0]=4 5808 B10R0.74 CCOCCCOC(C)C#N 7a_100000757476_100000703298 [0,1,0,0,0,0|3,0,0]=4 5809 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,1,0,0,0,0|3,0,0]=4 5810 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,1,0,0,0,0|3,0,0]=4 5811 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,1,0,0,0,0|3,0,0]=4 5812 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,1,0,0,0,0|3,0,0]=4 5813 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,1,0,0,0,0|3,0,0]=4 5814 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,1,0,0,0,0|3,0,0]=4 5815 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,1,0,0,0,0|2,0,0]=3 5816 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,1,0,0,0,0|2,0,0]=3 5817 B10R0.74 CCOCCCSC(C)C#N 62a_100000703298_100012232248 [0,1,0,0,0,0|3,0,0]=4 5818 B10R0.74 CCOCCCSC(C)C#N 62a_100012232248_100000703298 [0,1,0,0,0,0|3,0,0]=4 5819 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,1,0,0,0,0|3,0,0]=4 5820 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,1,0,0,0,0|3,0,0]=4 5821 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,1,0,0,0,0|2,0,0]=3 5822 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,1,0,0,0,0|2,0,0]=3 5823 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,1,0,0,0,0|2,0,0]=3 5824 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,1,0,0,0,0|2,0,0]=3 5825 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,1,0,0,0,0|2,0,0]=3 5826 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,1,0,0,0,0|3,0,0]=4 5827 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,1,0,0,0,0|3,0,0]=4 5828 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,1,0,0,0,0|3,0,0]=4 5829 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,1,0,0,0,0|3,0,0]=4 5830 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,0,0,0,0|2,0,0]=3 5831 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,1,0,0,0,0|2,0,0]=3 5832 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,1,0,0,0,0|2,0,0]=3 5833 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,1,0,0,0,0|2,0,0]=3 5834 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,0,0,0,0|2,0,0]=3 5835 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,0,0,0,0|2,0,0]=3 5836 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,1,0,0,0,0|3,0,0]=4 5837 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,1,0,0,0,0|3,0,0]=4 5838 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,0,0,0,0|2,0,0]=3 5839 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,0,0,0,0|2,0,0]=3 5840 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,1,0,0,0,0|2,0,0]=3 5841 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,0,0,0,0|3,0,0]=4 5842 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,1,0,0,0,0|2,0,0]=3 5843 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,1,0,0,0,0|2,0,0]=3 5844 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,0,0,0,0|2,0,0]=3 5845 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,0,0,0,0|2,0,0]=3 5846 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,0,0,0,0|2,0,0]=3 5847 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,1,0,0,0,0|3,0,0]=4 5848 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,1,0,0,0,0|3,0,0]=4 5849 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,1,0,0,0,0|3,0,0]=4 5850 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,1,0,0,0,0|2,0,0]=3 5851 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,1,0,0,0,0|3,0,0]=4 5852 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,1,0,0,0,0|2,0,0]=3 5853 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,1,0,0,0,0|2,0,0]=3 5854 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,0,0,0,0|2,0,0]=3 5855 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,0,0,0,0|2,0,0]=3 5856 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,1,0,0,0,0|3,0,0]=4 5857 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,1,0,0,0,0|3,0,0]=4 5858 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,1,0,0,0,0|3,0,0]=4 5859 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 5860 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 5861 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,1,0,0,0,0|2,0,0]=3 5862 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,1,0,0,0,0|2,0,0]=3 5863 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,0,0,0,0|2,0,0]=3 5864 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,0,0,0,0|2,0,0]=3 5865 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,1,0,0,0,0|3,0,0]=4 5866 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,1,0,0,0,0|3,0,0]=4 5867 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,1,0,0,0,0|3,0,0]=4 5868 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,1,0,0,0,0|2,0,0]=3 5869 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,1,0,0,0,0|2,0,0]=3 5870 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,0,0,0,0|2,0,0]=3 5871 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,0,0,0,0|2,0,0]=3 5872 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,1,0,0,0,0|3,0,0]=4 5873 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,1,0,0,0,0|3,0,0]=4 5874 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,1,0,0,0,0|2,0,0]=3 5875 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,1,0,0,0,0|2,0,0]=3 5876 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,1,0,0,0,0|2,0,0]=3 5877 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,1,0,0,0,0|2,0,0]=3 5878 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,0,0,0,0|2,0,0]=3 5879 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,0,0,0,0|2,0,0]=3 5880 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,0,0,0,0|1,0,2]=4 5881 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,0,0,0,0|1,0,2]=4 5882 B10R0.74 CCSCCCOC(C)C#N 7a_100011216438_100000703298 [0,1,0,0,0,0|3,0,0]=4 5883 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,1,0,0,0,0|3,0,0]=4 5884 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,1,0,0,0,0|3,0,0]=4 5885 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,1,0,0,0,0|2,0,0]=3 5886 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,1,0,0,0,0|2,0,0]=3 5887 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,1,0,0,0,0|3,0,0]=4 5888 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,1,0,0,0,0|3,0,0]=4 5889 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,1,0,0,0,0|3,0,0]=4 5890 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,0,0,0,0|2,0,0]=3 5891 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,1,0,0,0,0|2,0,0]=3 5892 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,1,0,0,0,0|2,0,0]=3 5893 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,0,0,0,0|2,0,0]=3 5894 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,1,0,0,0,0|3,0,0]=4 5895 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,0,0,0,0|2,0,0]=3 5896 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,1,0,0,0,0|2,0,0]=3 5897 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,0,0,0,0|3,0,0]=4 5898 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,1,0,0,0,0|2,0,0]=3 5899 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,0,0,0,0|2,0,0]=3 5900 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,0,0,0,0|2,0,0]=3 5901 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,1,0,0,0,0|3,0,0]=4 5902 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,1,0,0,0,0|3,0,0]=4 5903 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,1,0,0,0,0|3,0,0]=4 5904 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,1,0,0,0,0|2,0,0]=3 5905 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,1,0,0,0,0|3,0,0]=4 5906 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,1,0,0,0,0|2,0,0]=3 5907 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,1,0,0,0,0|2,0,0]=3 5908 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,0,0,0,0|2,0,0]=3 5909 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,0,0,0,0|2,0,0]=3 5910 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,1,0,0,0,0|3,0,0]=4 5911 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,1,0,0,0,0|3,0,0]=4 5912 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,1,0,0,0,0|3,0,0]=4 5913 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 5914 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 5915 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,1,0,0,0,0|2,0,0]=3 5916 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,1,0,0,0,0|2,0,0]=3 5917 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,0,0,0,0|2,0,0]=3 5918 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,0,0,0,0|2,0,0]=3 5919 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,1,0,0,0,0|3,0,0]=4 5920 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,1,0,0,0,0|3,0,0]=4 5921 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,1,0,0,0,0|3,0,0]=4 5922 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,1,0,0,0,0|2,0,0]=3 5923 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,1,0,0,0,0|2,0,0]=3 5924 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,0,0,0,0|2,0,0]=3 5925 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,0,0,0,0|2,0,0]=3 5926 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,1,0,0,0,0|3,0,0]=4 5927 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,1,0,0,0,0|3,0,0]=4 5928 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,1,0,0,0,0|2,0,0]=3 5929 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,1,0,0,0,0|2,0,0]=3 5930 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,1,0,0,0,0|2,0,0]=3 5931 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,1,0,0,0,0|2,0,0]=3 5932 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,0,0,0,0|2,0,0]=3 5933 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,0,0,0,0|2,0,0]=3 5934 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|3,0,0]=4 5935 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|3,0,0]=4 5936 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,0,0,0,0|3,0,0]=4 5937 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,1,0,0,0,0|3,0,0]=4 5938 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,1,0,0,0,0|3,0,0]=4 5939 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,1,0,0,0,0|3,0,0]=4 5940 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,1,0,0,0,0|3,0,0]=4 5941 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,1,0,0,0,0|3,0,0]=4 5942 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,1,0,0,0,0|3,0,0]=4 5943 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,1,0,0,0,0|3,0,0]=4 5944 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,1,0,0,0,0|3,0,0]=4 5945 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,1,0,0,0,0|3,0,0]=4 5946 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|3,0,0]=4 5947 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,1,0,0,0,0|3,0,0]=4 5948 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,1,0,0,0,0|3,0,0]=4 5949 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,1,0,0,0,0|3,0,0]=4 5950 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 5951 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 5952 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,1,0,0,0,0|3,0,0]=4 5953 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,1,0,0,0,0|3,0,0]=4 5954 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|3,0,0]=4 5955 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|3,0,0]=4 5956 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,1,0,0,0,0|3,0,0]=4 5957 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,1,0,0,0,0|3,0,0]=4 5958 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,0,0,0,0|1,0,2]=4 5959 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,1,0,0,0,0|1,0,2]=4 5960 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,1,0,0,0,0|1,0,2]=4 5961 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,1,0,0,0,0|1,0,2]=4 5962 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,1,0,0,0,0|1,0,2]=4 5963 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,0,0,0,0|1,0,2]=4 5964 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,0,0,0,0|1,0,2]=4 5965 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,0,0,0,0|1,0,2]=4 5966 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,1,0,0,0,0|2,0,0]=3 5967 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,1,0,0,0,0|2,0,0]=3 5968 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,1,0,0,0,0|2,0,0]=3 5969 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,1,0,0,0,0|2,0,0]=3 5970 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,0,0,0,0|1,0,2]=4 5971 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,0,0,0,0|1,0,2]=4 5972 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,0,0,0,0|1,0,2]=4 5973 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,0,0,0,0|1,0,2]=4 5974 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,0,0,0,0|1,0,2]=4 5975 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,0,0,0,0|1,0,2]=4 5976 B10R0.74 COC(C)CCOCCC#N 7a_100000764861_100000184422 [0,1,0,0,0,0|2,0,1]=4 5977 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,1,0,0,0,0|2,0,0]=3 5978 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,1,0,0,0,0|2,0,0]=3 5979 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,1,0,0,0,0|2,0,0]=3 5980 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,1,0,0,0,0|2,0,0]=3 5981 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,1,0,0,0,0|2,0,0]=3 5982 B10R0.74 COC(C)SCCCCC#N 62a_100009879195_100000211819 [0,1,0,0,0,0|2,0,1]=4 5983 B10R0.74 COC(C)SCCCCC#N 62a_100011219923_100009879195 [0,1,0,0,0,0|2,0,1]=4 5984 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,1,0,0,0,0|2,0,1]=4 5985 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,1,0,0,0,0|2,0,1]=4 5986 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,1,0,0,0,0|2,0,0]=3 5987 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,1,0,0,0,0|2,0,0]=3 5988 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,1,0,0,0,0|2,0,0]=3 5989 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,1,0,0,0,0|2,0,0]=3 5990 B10R0.74 COC(C)SCCOCCO 62a_100009879195_100011215305 [0,1,0,0,0,0|3,0,0]=4 5991 B10R0.74 COC(C)SCCOCCO 62a_100011215305_100009879195 [0,1,0,0,0,0|3,0,0]=4 5992 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,0,0,0,0|1,0,2]=4 5993 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,0,0,0,0|1,0,2]=4 5994 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,0,0,0,0|1,0,2]=4 5995 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,0,0,0,0|1,0,2]=4 5996 B10R0.74 COCCCCNC(C)C#N 2230a_100000737613_100000730899 [0,1,0,0,0,0|3,0,0]=4 5997 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,1,0,0,0,0|2,0,0]=3 5998 B10R0.74 COCCCCOC(C)C#N 34a_100011218135_100000755781 [0,1,0,0,0,0|3,0,0]=4 5999 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,1,0,0,0,0|3,0,0]=4 6000 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,1,0,0,0,0|3,0,0]=4 6001 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,1,0,0,0,0|3,0,0]=4 6002 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,1,0,0,0,0|2,0,0]=3 6003 B10R0.74 COCCCCSC(C)C#N 62a_100000703298_100000730899 [0,1,0,0,0,0|3,0,0]=4 6004 B10R0.74 COCCCCSC(C)C#N 62a_100000730899_100000703298 [0,1,0,0,0,0|3,0,0]=4 6005 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,1,0,0,0,0|2,0,0]=3 6006 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,1,0,0,0,0|2,0,0]=3 6007 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,1,0,0,0,0|2,0,0]=3 6008 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,1,0,0,0,0|2,0,0]=3 6009 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,1,0,0,0,0|2,0,0]=3 6010 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,1,0,0,0,0|2,0,0]=3 6011 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,1,0,0,0,0|2,0,0]=3 6012 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,1,0,0,0,0|2,0,0]=3 6013 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,1,0,0,0,0|2,0,0]=3 6014 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,1,0,0,0,0|3,0,0]=4 6015 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,1,0,0,0,0|2,0,0]=3 6016 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,1,0,0,0,0|2,0,0]=3 6017 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,1,0,0,0,0|2,0,0]=3 6018 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,1,0,0,0,0|3,0,0]=4 6019 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,1,0,0,0,0|2,0,0]=3 6020 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,1,0,0,0,0|3,0,0]=4 6021 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,1,0,0,0,0|2,0,0]=3 6022 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,1,0,0,0,0|2,0,0]=3 6023 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,1,0,0,0,0|2,0,0]=3 6024 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,1,0,0,0,0|2,0,0]=3 6025 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,1,0,0,0,0|3,0,0]=4 6026 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,1,0,0,0,0|2,0,0]=3 6027 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,1,0,0,0,0|2,0,0]=3 6028 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,1,0,0,0,0|2,0,0]=3 6029 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,1,0,0,0,0|2,0,0]=3 6030 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,1,0,0,0,0|2,0,0]=3 6031 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,1,0,0,0,0|2,0,0]=3 6032 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,1,0,0,0,0|2,0,0]=3 6033 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,1,0,0,0,0|2,0,0]=3 6034 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 6035 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 6036 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,1,0,0,0,0|2,0,0]=3 6037 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,1,0,0,0,0|3,0,0]=4 6038 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,1,0,0,0,0|3,0,0]=4 6039 B10R0.74 COCCOCSC(C)OC 62a_100000231047_100009879195 [0,1,0,0,0,0|3,0,0]=4 6040 B10R0.74 COCCOCSC(C)OC 62a_100009879195_100000231047 [0,1,0,0,0,0|3,0,0]=4 6041 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,1,0,0,0,0|3,0,0]=4 6042 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,1,0,0,0,0|3,0,0]=4 6043 B10R0.74 CO[C@H](C)CNCCCC#N 2230a_100020591295_100000687738 [0,1,0,0,0,0|2,0,1]=4 6044 B10R0.74 CO[C@H](C)CNCCCC=O 2230a_100020591295_200011292268 [0,1,0,0,0,0|2,0,1]=4 6045 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,1,0,0,0,0|2,0,0]=3 6046 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,1,0,0,0,0|2,0,0]=3 6047 B10R0.74 CSCCCCOC(C)C#N 7a_100011217163_100000703298 [0,1,0,0,0,0|3,0,0]=4 6048 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,1,0,0,0,0|2,0,0]=3 6049 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,1,0,0,0,0|2,0,0]=3 6050 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,1,0,0,0,0|2,0,0]=3 6051 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,1,0,0,0,0|2,0,0]=3 6052 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,1,0,0,0,0|2,0,0]=3 6053 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,1,0,0,0,0|2,0,0]=3 6054 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,1,0,0,0,0|2,0,0]=3 6055 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,1,0,0,0,0|2,0,0]=3 6056 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 6057 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 6058 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,1,0,0,0,0|2,0,0]=3 6059 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,1,0,0,0,0|2,0,0]=3 6060 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,1,0,0,0,0|2,0,0]=3 6061 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,1,0,0,0,0|2,0,0]=3 6062 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,1,0,0,0,0|2,0,0]=3 6063 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,1,0,0,0,0|2,0,0]=3 6064 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,1,0,0,0,0|3,0,0]=4 6065 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|3,0,0]=4 6066 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|3,0,0]=4 6067 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 6068 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 6069 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,1,0,0,0,0|2,0,0]=3 6070 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 6071 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 6072 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 6073 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 6074 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,1,0,0,0,0|2,0,0]=3 6075 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 6076 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000059175_100000687738 [0,1,0,0,0,0|2,0,1]=4 6077 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000687738_100000059175 [0,1,0,0,0,0|2,0,1]=4 6078 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,1,0,0,0,0|2,0,1]=4 6079 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,1,0,0,0,0|2,0,1]=4 6080 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,1,0,0,0,0|2,0,0]=3 6081 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,1,0,0,0,0|2,0,0]=3 6082 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,0,0,0,0|2,0,0]=3 6083 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 6084 B10R0.74 C[C@H](CO)NCCCCC#N 2230a_100000737577_100000211819 [0,1,0,0,0,0|2,0,1]=4 6085 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,1,0,0,0,0|2,0,1]=4 6086 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,1,0,0,0,0|2,0,0]=3 6087 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,0,0,0,0|2,0,0]=3 6088 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [0,1,0,0,0,0|3,0,0]=4 6089 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100011219923_100016084084 [0,1,0,0,0,0|2,0,1]=4 6090 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100016084084_100000211819 [0,1,0,0,0,0|2,0,1]=4 6091 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,1,0,0,0,0|2,0,1]=4 6092 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,1,0,0,0,0|2,0,1]=4 6093 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,1,0,0,0,0|2,0,0]=3 6094 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,1,0,0,0,0|2,0,0]=3 6095 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,0,0,0,0|2,0,0]=3 6096 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,0,0,0,0|2,0,0]=3 6097 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [0,1,0,0,0,0|3,0,0]=4 6098 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [0,1,0,0,0,0|3,0,0]=4 6099 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,1,0,0,0,0|3,0,0]=4 6100 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,1,0,0,0,0|2,0,1]=4 6101 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,1,0,0,0,0|2,0,1]=4 6102 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,1,0,0,0,0|2,0,1]=4 6103 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100000687738_100015614560 [0,1,0,0,0,0|2,0,1]=4 6104 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100015614560_100000687738 [0,1,0,0,0,0|2,0,1]=4 6105 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,1,0,0,0,0|2,0,1]=4 6106 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,1,0,0,0,0|2,0,1]=4 6107 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 6108 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 6109 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 6110 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|3,0,0]=4 6111 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,1,0,0,0,0|3,0,0]=4 6112 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|1,0,2]=4 6113 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|1,0,2]=4 6114 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,2]=4 6115 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,1,0,0,0,0|2,0,1]=4 6116 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,1,0,0,0,0|2,0,1]=4 6117 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,1,0,0,0,0|2,0,1]=4 6118 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,1,0,0,0,0|2,0,1]=4 6119 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,1,0,0,0,0|2,0,1]=4 6120 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,1,0,0,0,0|2,0,1]=4 6121 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,1,0,0,0,0|2,0,1]=4 6122 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,1,0,0,0,0|2,0,0]=3 6123 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 6124 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 6125 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,1,0,0,0,0|2,0,0]=3 6126 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,1,0,0,0,0|2,0,0]=3 6127 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,1,0,0,0,0|2,0,0]=3 6128 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,1,0,0,0,0|2,0,0]=3 6129 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,1,0,0,0,0|2,0,0]=3 6130 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 6131 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 6132 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,0,0,0,0|3,0,0]=4 6133 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 6134 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 6135 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 6136 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 6137 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,0,0,0,0|2,0,0]=3 6138 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,1,0,0,0,0|3,0,0]=4 6139 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 6140 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,0,0,0,0|2,0,0]=3 6141 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 6142 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,1,0,0,0,0|2,0,0]=3 6143 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 6144 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,0,0,0,0|2,0,0]=3 6145 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,1,0,0,0,0|2,0,0]=3 6146 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|3,0,0]=4 6147 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,1,0,0,0,0|2,0,0]=3 6148 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 6149 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 6150 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,1,0,0,0,0|2,0,0]=3 6151 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,1,0,0,0,0|2,0,0]=3 6152 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,1,0,0,0,0|2,0,0]=3 6153 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,1,0,0,0,0|2,0,0]=3 6154 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,1,0,0,0,0|2,0,0]=3 6155 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,1,0,0,0,0|2,0,0]=3 6156 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 6157 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 6158 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,1,0,0,0,0|2,0,0]=3 6159 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,1,0,0,0,0|2,0,0]=3 6160 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,1,0,0,0,0|2,0,0]=3 6161 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,1,0,0,0,0|2,0,0]=3 6162 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,1,0,0,0,0|2,0,0]=3 6163 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,1,0,0,0,0|0,0,3]=4 6164 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,1,0,0,0,0|0,0,3]=4 6165 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,1,0,0,0,0|1,0,2]=4 6166 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,1,0,0,0,0|2,0,1]=4 6167 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,1,0,0,0,0|0,0,3]=4 6168 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,1,0,0,0,0|0,0,3]=4 6169 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,1,0,0,0,0|2,0,1]=4 6170 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,1,0,0,0,0|2,0,1]=4 6171 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,1,0,0,0,0|2,0,1]=4 6172 B10R0.75 CC(C)C(C)NCCCCF 2230a_100000211541_100000729493 [0,1,0,0,0,0|3,0,0]=4 6173 B10R0.75 CC(C)C(C)NCCCCO 2230a_100000211541_100000210776 [0,1,0,0,0,0|3,0,0]=4 6174 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [0,1,0,0,0,0|3,0,0]=4 6175 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [0,1,0,0,0,0|3,0,0]=4 6176 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [0,1,0,0,0,0|3,0,0]=4 6177 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,1,0,0,0,0|3,0,0]=4 6178 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,1,0,0,0,0|3,0,0]=4 6179 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,1,0,0,0,0|3,0,0]=4 6180 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,1,0,0,0,0|3,0,0]=4 6181 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,1,0,0,0,0|3,0,0]=4 6182 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,1,0,0,0,0|3,0,0]=4 6183 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 6184 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 6185 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 6186 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 6187 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,1,0,0,0,0|3,0,0]=4 6188 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 6189 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 6190 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 6191 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 6192 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [0,1,0,0,0,0|3,0,0]=4 6193 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [0,1,0,0,0,0|3,0,0]=4 6194 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,1,0,0,0,0|2,0,1]=4 6195 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,1,0,0,0,0|2,0,1]=4 6196 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,1,0,0,0,0|0,0,3]=4 6197 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,1,0,0,0,0|0,0,3]=4 6198 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,1,0,0,0,0|1,0,1]=3 6199 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,1,0,0,0,0|1,0,1]=3 6200 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,1,0,0,0,0|1,0,1]=3 6201 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,1,0,0,0,0|1,0,1]=3 6202 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,1,0,0,0,0|2,0,1]=4 6203 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,1,0,0,0,0|2,0,1]=4 6204 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,1,0,0,0,0|2,0,1]=4 6205 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,1,0,0,0,0|2,0,1]=4 6206 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,1,0,0,0,0|0,0,1]=2 6207 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,1,0,0,0,0|0,0,1]=2 6208 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|0,0,2]=3 6209 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,1,0,0,0,0|2,0,0]=3 6210 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,1,0,0,0,0|2,0,0]=3 6211 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,1,0,0,0,0|2,0,0]=3 6212 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|0,0,2]=3 6213 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|0,0,2]=3 6214 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 6215 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 6216 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 6217 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|1,0,2]=4 6218 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,1,0,0,0,0|2,0,0]=3 6219 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,1,0,0,0,0|2,0,0]=3 6220 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,1,0,0,0,0|2,0,0]=3 6221 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,1,0,0,0,0|2,0,1]=4 6222 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,1,0,0,0,0|2,0,1]=4 6223 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,1,0,0,0,0|2,0,1]=4 6224 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,1,0,0,0,0|2,0,1]=4 6225 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,1,0,0,0,0|2,0,1]=4 6226 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,1,0,0,0,0|2,0,1]=4 6227 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,1,0,0,0,0|2,0,1]=4 6228 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,1,0,0,0,0|2,0,1]=4 6229 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,1,0,0,0,0|2,0,1]=4 6230 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,1,0,0,0,0|1,0,1]=3 6231 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,1,0,0,0,0|1,0,1]=3 6232 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,1,0,0,0,0|1,0,1]=3 6233 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|1,0,2]=4 6234 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,1,0,0,0,0|2,0,0]=3 6235 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|2,0,1]=4 6236 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|1,0,2]=4 6237 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|1,0,2]=4 6238 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,1,0,0,0,0|2,0,0]=3 6239 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|1,0,2]=4 6240 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|1,0,2]=4 6241 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,1,0,0,0,0|2,0,1]=4 6242 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,1,0,0,0,0|2,0,1]=4 6243 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|2,0,1]=4 6244 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|2,0,1]=4 6245 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,1,0,0,0,0|2,0,0]=3 6246 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,1,0,0,0,0|2,0,0]=3 6247 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,1,0,0,0,0|2,0,1]=4 6248 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,1,0,0,0,0|2,0,1]=4 6249 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,1,0,0,0,0|2,0,1]=4 6250 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,1,0,0,0,0|2,0,1]=4 6251 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,1,0,0,0,0|2,0,1]=4 6252 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,1,0,0,0,0|2,0,1]=4 6253 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,1,0,0,0,0|2,0,1]=4 6254 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,1,0,0,0,0|2,0,1]=4 6255 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,1,0,0,0,0|2,0,1]=4 6256 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,1,0,0,0,0|1,0,1]=3 6257 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,1,0,0,0,0|1,0,1]=3 6258 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|1,0,2]=4 6259 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|1,0,2]=4 6260 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,1,0,0,0,0|3,0,0]=4 6261 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,1,0,0,0,0|2,0,0]=3 6262 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,1,0,0,0,0|2,0,1]=4 6263 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,1,0,0,0,0|2,0,1]=4 6264 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,1,0,0,0,0|2,0,1]=4 6265 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,1,0,0,0,0|2,0,1]=4 6266 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,1,0,0,0,0|2,0,1]=4 6267 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,1,0,0,0,0|2,0,1]=4 6268 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,1,0,0,0,0|1,0,1]=3 6269 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,1,0,0,0,0|1,0,1]=3 6270 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,1,0,0,0,0|2,0,0]=3 6271 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [0,1,0,0,0,0|3,0,0]=4 6272 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,1,0,0,0,0|2,0,1]=4 6273 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,1,0,0,0,0|2,0,1]=4 6274 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,1,0,0,0,0|2,0,1]=4 6275 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,1,0,0,0,0|1,0,1]=3 6276 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,1,0,0,0,0|1,0,1]=3 6277 B10R0.75 CCOCCCN(C)C(C)C 269982a_200000211004_100012232248 [0,1,0,0,0,0|3,0,0]=4 6278 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,1,0,0,0,0|2,0,1]=4 6279 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,1,0,0,0,0|2,0,1]=4 6280 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,1,0,0,0,0|2,0,1]=4 6281 B10R0.75 CCOCCNC(C)C(C)C 2230a_100000211541_100011215890 [0,1,0,0,0,0|3,0,0]=4 6282 B10R0.75 CCOCCOC(C)C(C)C 7a_100000748068_100011215890 [0,1,0,0,0,0|3,0,0]=4 6283 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,1,0,0,0,0|2,0,1]=4 6284 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,1,0,0,0,0|2,0,1]=4 6285 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,1,0,0,0,0|2,0,1]=4 6286 B10R0.75 CCSCCNC(C)C(C)C 2230a_100000211541_100000757381 [0,1,0,0,0,0|3,0,0]=4 6287 B10R0.75 CCSCCOC(C)C(C)C 7a_100000748068_100000757381 [0,1,0,0,0,0|3,0,0]=4 6288 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,1,0,0,0,0|2,0,1]=4 6289 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,1,0,0,0,0|2,0,1]=4 6290 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,1,0,0,0,0|2,0,1]=4 6291 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,1,0,0,0,0|1,0,1]=3 6292 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,1,0,0,0,0|1,0,1]=3 6293 B10R0.75 COCCCCN(C)C(C)C 269982a_200000211004_100000730899 [0,1,0,0,0,0|3,0,0]=4 6294 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,1,0,0,0,0|2,0,1]=4 6295 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,1,0,0,0,0|2,0,1]=4 6296 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,1,0,0,0,0|2,0,1]=4 6297 B10R0.75 COCCCNC(C)C(C)C 2230a_100000211541_100000740836 [0,1,0,0,0,0|3,0,0]=4 6298 B10R0.75 COCCCOC(C)C(C)C 7a_100000748068_100000740836 [0,1,0,0,0,0|3,0,0]=4 6299 B10R0.75 COCCNCC(O)C(C)C 2230a_100000759067_100011201679 [0,1,0,0,0,0|3,0,0]=4 6300 B10R0.75 COCCNCC(O)C(C)C 34a_100000759067_100011201679 [0,1,0,0,0,0|3,0,0]=4 6301 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [0,1,0,0,0,0|3,0,0]=4 6302 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,1,0,0,0,0|2,0,1]=4 6303 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,1,0,0,0,0|2,0,1]=4 6304 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,1,0,0,0,0|2,0,1]=4 6305 B10R0.75 CSCCNCC(O)C(C)C 2230a_100000759067_100000751147 [0,1,0,0,0,0|3,0,0]=4 6306 B10R0.75 CSCCNCC(O)C(C)C 34a_100000759067_100000212216 [0,1,0,0,0,0|3,0,0]=4 6307 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [0,1,0,0,0,0|3,0,0]=4 6308 B10R0.75 CSCOCCC(N)C(C)C 34a_100161115045_100011218213 [0,1,0,0,0,0|3,0,0]=4 6309 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,1,0,0,0,0|1,0,2]=4 6310 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,1,0,0,0,0|1,0,1]=3 6311 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,1,0,0,0,0|1,0,1]=3 6312 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,1,0,0,0,0|2,0,1]=4 6313 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,1,0,0,0,0|2,0,1]=4 6314 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,1,0,0,0,0|1,0,2]=4 6315 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,1,0,0,0,0|1,0,1]=3 6316 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,1,0,0,0,0|1,0,1]=3 6317 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,1,0,0,0,0|2,0,1]=4 6318 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,1,0,0,0,0|2,0,1]=4 6319 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,1,0,0,0,0|2,0,1]=4 6320 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,1,0,0,0,0|2,0,1]=4 6321 B10R0.78 C#CCCC(=O)CCC(C)O 1458a_100000692101_100012276601 [0,1,0,0,0,0|0,0,3]=4 6322 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,1,0,0,0,0|1,0,2]=4 6323 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,1,0,0,0,0|1,0,2]=4 6324 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,1,0,0,0,0|2,0,1]=4 6325 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,1,0,0,0,0|2,0,1]=4 6326 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,1,0,0,0,0|2,0,1]=4 6327 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,1,0,0,0,0|2,0,1]=4 6328 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,1,0,0,0,0|2,0,1]=4 6329 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,1,0,0,0,0|2,0,1]=4 6330 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,1,0,0,0,0|2,0,1]=4 6331 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,1,0,0,0,0|2,0,1]=4 6332 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,1,0,0,0,0|2,0,1]=4 6333 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,1,0,0,0,0|0,0,3]=4 6334 B10R0.78 C=CCCC(C)NCC(C)O 270004a_100000210904_100000762624 [0,1,0,0,0,0|1,0,2]=4 6335 B10R0.78 C=CCCC(C)OCC(C)O 34a_100000765329_100011218427 [0,1,0,0,0,0|1,0,2]=4 6336 B10R0.78 C=CCCC(C)OCC(C)O 7a_100000765329_100011218427 [0,1,0,0,0,0|1,0,2]=4 6337 B10R0.78 C=CCCC(C)OC[C@@H](C)O 34a_100000765329_100009817552 [0,1,0,0,0,0|1,0,2]=4 6338 B10R0.78 C=CCCC(C)OC[C@@H](C)O 7a_100000765329_100009817552 [0,1,0,0,0,0|1,0,2]=4 6339 B10R0.78 C=CCCN(C)CCC(C)O 2230a_100020639649_100012276601 [0,1,0,0,0,0|1,0,2]=4 6340 B10R0.78 C=CCCN(C)CCC(C)O 269982a_100020639649_100012276601 [0,1,0,0,0,0|1,0,2]=4 6341 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,1,0,0,0,0|2,0,1]=4 6342 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,1,0,0,0,0|2,0,1]=4 6343 B10R0.78 CC(C)CCC(C)NCCF 2230a_100138410893_100011217306 [0,1,0,0,0,0|3,0,0]=4 6344 B10R0.78 CC(C)CCC(C)NCCF 34a_100000724931_100011261404 [0,1,0,0,0,0|3,0,0]=4 6345 B10R0.78 CC(C)CCC(C)NCCO 2230a_100016997473_100011261404 [0,1,0,0,0,0|3,0,0]=4 6346 B10R0.78 CC(C)CCC(C)NCCO 2230a_100138410893_100000211926 [0,1,0,0,0,0|3,0,0]=4 6347 B10R0.78 CC(C)CCC(C)NCCO 270004a_100000210304_100000210476 [0,1,0,0,0,0|3,0,0]=4 6348 B10R0.78 CC(C)CCC(C)NCCO 34a_100016990907_100011261404 [0,1,0,0,0,0|3,0,0]=4 6349 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [0,1,0,0,0,0|3,0,0]=4 6350 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [0,1,0,0,0,0|3,0,0]=4 6351 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [0,1,0,0,0,0|3,0,0]=4 6352 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [0,1,0,0,0,0|3,0,0]=4 6353 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [0,1,0,0,0,0|3,0,0]=4 6354 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [0,1,0,0,0,0|3,0,0]=4 6355 B10R0.78 CC(C)CCC(C)SCCF 62a_100011217306_100011261404 [0,1,0,0,0,0|3,0,0]=4 6356 B10R0.78 CC(C)CCC(C)SCCF 62a_100011261404_100011217306 [0,1,0,0,0,0|3,0,0]=4 6357 B10R0.78 CC(C)CCC(C)SCCO 62a_100000211926_100011261404 [0,1,0,0,0,0|3,0,0]=4 6358 B10R0.78 CC(C)CCC(C)SCCO 62a_100011261404_100000211926 [0,1,0,0,0,0|3,0,0]=4 6359 B10R0.78 CC(C)CCN(C)CCCF 2230a_100000742789_100011934791 [0,1,0,0,0,0|3,0,0]=4 6360 B10R0.78 CC(C)CCN(C)CCCF 269982a_100000742789_100011934791 [0,1,0,0,0,0|3,0,0]=4 6361 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000213112_100000210312 [0,1,0,0,0,0|3,0,0]=4 6362 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000742789_100000230001 [0,1,0,0,0,0|3,0,0]=4 6363 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000213112_100000210312 [0,1,0,0,0,0|3,0,0]=4 6364 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000742789_100011215043 [0,1,0,0,0,0|3,0,0]=4 6365 B10R0.78 CC(C)COC(C)CCCCl 34a_200000718107_100000210624 [0,1,0,0,0,0|3,0,0]=4 6366 B10R0.78 CC(C)COC(C)CCCCl 7a_200000718107_100000210760 [0,1,0,0,0,0|3,0,0]=4 6367 B10R0.78 CC(C)NC[C@H](C)CCCO 2230a_100160569302_100000210206 [0,1,0,0,0,0|3,0,0]=4 6368 B10R0.78 CC(C)NC[C@H](C)CCCO 34a_100160569302_100000210206 [0,1,0,0,0,0|3,0,0]=4 6369 B10R0.78 CC(CCCCl)OC[C@@H](C)O 34a_200000718107_100009817552 [0,1,0,0,0,0|2,0,0]=3 6370 B10R0.78 CC(CCCCl)OC[C@@H](C)O 7a_200000718107_100009817552 [0,1,0,0,0,0|2,0,0]=3 6371 B10R0.78 CC(O)CCC(=O)CCC#N 1458a_100011934036_100012276601 [0,1,0,0,0,0|1,0,2]=4 6372 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,1,0,0,0,0|2,0,1]=4 6373 B10R0.78 CC(O)CCN(C)CCC#N 2230a_100000184479_100012276601 [0,1,0,0,0,0|2,0,1]=4 6374 B10R0.78 CC(O)CCN(C)CCCO 2230a_100000213112_100012276601 [0,1,0,0,0,0|2,0,0]=3 6375 B10R0.78 CC(O)CCN(C)CCCO 269982a_100000213112_100012276601 [0,1,0,0,0,0|2,0,0]=3 6376 B10R0.78 CC(O)COC(C)CCCCl 34a_200000718107_100011218427 [0,1,0,0,0,0|2,0,0]=3 6377 B10R0.78 CC(O)COC(C)CCCCl 7a_200000718107_100011218427 [0,1,0,0,0,0|2,0,0]=3 6378 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,1,0,0,0,0|0,0,3]=4 6379 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,1,0,0,0,0|0,0,3]=4 6380 B10R0.78 CCC#CC(C)OCC(C)O 34a_100000033903_100011218427 [0,1,0,0,0,0|1,0,2]=4 6381 B10R0.78 CCC#CC(C)OCC(C)O 7a_100000033903_100011218427 [0,1,0,0,0,0|1,0,2]=4 6382 B10R0.78 CCC#CC(C)OC[C@@H](C)O 34a_100000033903_100009817552 [0,1,0,0,0,0|1,0,2]=4 6383 B10R0.78 CCC#CC(C)OC[C@@H](C)O 7a_100000033903_100009817552 [0,1,0,0,0,0|1,0,2]=4 6384 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,1,0,0,0,0|0,0,3]=4 6385 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,1,0,0,0,0|1,0,1]=3 6386 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,1,0,0,0,0|1,0,1]=3 6387 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,1,0,0,0,0|0,0,1]=2 6388 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,1,0,0,0,0|2,0,1]=4 6389 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,1,0,0,0,0|2,0,1]=4 6390 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,1,0,0,0,0|2,0,1]=4 6391 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,1,0,0,0,0|2,0,1]=4 6392 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,1,0,0,0,0|2,0,1]=4 6393 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,1,0,0,0,0|2,0,1]=4 6394 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,1,0,0,0,0|2,0,1]=4 6395 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,1,0,0,0,0|1,0,1]=3 6396 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,1,0,0,0,0|1,0,1]=3 6397 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,1,0,0,0,0|1,0,1]=3 6398 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|0,0,2]=3 6399 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|0,0,2]=3 6400 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [0,1,0,0,0,0|2,0,0]=3 6401 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [0,1,0,0,0,0|2,0,0]=3 6402 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,1,0,0,0,0|2,0,1]=4 6403 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [0,1,0,0,0,0|2,0,0]=3 6404 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [0,1,0,0,0,0|2,0,0]=3 6405 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [0,1,0,0,0,0|2,0,0]=3 6406 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [0,1,0,0,0,0|2,0,0]=3 6407 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [0,1,0,0,0,0|2,0,0]=3 6408 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,1,0,0,0,0|1,0,0]=2 6409 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,1,0,0,0,0|1,0,0]=2 6410 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,1,0,0,0,0|1,0,0]=2 6411 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,1,0,0,0,0|1,0,0]=2 6412 B10R0.78 CCCCC(C)NCC(F)F 2230a_100000126638_100011934356 [0,1,0,0,0,0|3,0,0]=4 6413 B10R0.78 CCCCC(C)NCC(F)F 270004a_100000765723_100000210087 [0,1,0,0,0,0|3,0,0]=4 6414 B10R0.78 CCCCC(C)NCC(F)F 34a_100000765723_200011215066 [0,1,0,0,0,0|3,0,0]=4 6415 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,1,0,0,0,0|1,0,0]=2 6416 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,1,0,0,0,0|1,0,2]=4 6417 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [0,1,0,0,0,0|2,0,0]=3 6418 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [0,1,0,0,0,0|2,0,0]=3 6419 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [0,1,0,0,0,0|2,0,0]=3 6420 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [0,1,0,0,0,0|2,0,0]=3 6421 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [0,1,0,0,0,0|2,0,0]=3 6422 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,1,0,0,0,0|1,0,0]=2 6423 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,1,0,0,0,0|1,0,0]=2 6424 B10R0.78 CCCCC(C)OCC(F)F 34a_100000687866_100011934356 [0,1,0,0,0,0|3,0,0]=4 6425 B10R0.78 CCCCC(C)OCC(F)F 34a_100000743014_200011215066 [0,1,0,0,0,0|3,0,0]=4 6426 B10R0.78 CCCCC(C)OCC(F)F 7a_100000687866_100011934356 [0,1,0,0,0,0|3,0,0]=4 6427 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [0,1,0,0,0,0|2,0,0]=3 6428 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [0,1,0,0,0,0|2,0,0]=3 6429 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,1,0,0,0,0|1,0,0]=2 6430 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,1,0,0,0,0|1,0,0]=2 6431 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [0,1,0,0,0,0|2,0,0]=3 6432 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [0,1,0,0,0,0|2,0,0]=3 6433 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,1,0,0,0,0|1,0,0]=2 6434 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,1,0,0,0,0|1,0,0]=2 6435 B10R0.78 CCCCC(C)SCC(F)F 62a_100011934356_200011215066 [0,1,0,0,0,0|3,0,0]=4 6436 B10R0.78 CCCCC(C)SCC(F)F 62a_200011215066_100011934356 [0,1,0,0,0,0|3,0,0]=4 6437 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,1,0,0,0,0|1,0,0]=2 6438 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,1,0,0,0,0|1,0,0]=2 6439 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,0,0,0,0|1,0,2]=4 6440 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [0,1,0,0,0,0|2,0,0]=3 6441 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [0,1,0,0,0,0|2,0,0]=3 6442 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [0,1,0,0,0,0|2,0,0]=3 6443 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [0,1,0,0,0,0|2,0,0]=3 6444 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,1,0,0,0,0|1,0,0]=2 6445 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,1,0,0,0,0|1,0,0]=2 6446 B10R0.78 CCCCN(C)CCN(C)C 269982a_100000207549_100000755713 [0,1,0,0,0,0|3,0,0]=4 6447 B10R0.78 CCCCN(C)CCN(C)C 269982a_100000225618_100000210211 [0,1,0,0,0,0|3,0,0]=4 6448 B10R0.78 CCCCN(C)COC(C)C 2230a_100000207549_100000709892 [0,1,0,0,0,0|3,0,0]=4 6449 B10R0.78 CCCCN(C)COC(C)C 269982a_100000207549_100000709892 [0,1,0,0,0,0|3,0,0]=4 6450 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [0,1,0,0,0,0|2,0,0]=3 6451 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 6452 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 6453 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 6454 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,1,0,0,0,0|2,0,1]=4 6455 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,1,0,0,0,0|1,0,1]=3 6456 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,1,0,0,0,0|2,0,1]=4 6457 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,1,0,0,0,0|2,0,1]=4 6458 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,1,0,0,0,0|2,0,1]=4 6459 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,1,0,0,0,0|2,0,1]=4 6460 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,1,0,0,0,0|2,0,1]=4 6461 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [0,1,0,0,0,0|2,0,0]=3 6462 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [0,1,0,0,0,0|2,0,0]=3 6463 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,1,0,0,0,0|2,0,0]=3 6464 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,1,0,0,0,0|2,0,0]=3 6465 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,1,0,0,0,0|2,0,0]=3 6466 B10R0.78 CCCOC(C)CNC(C)C 2230a_100015185124_100000210206 [0,1,0,0,0,0|3,0,0]=4 6467 B10R0.78 CCCOC(C)CNC(C)C 34a_100015185124_100000210206 [0,1,0,0,0,0|3,0,0]=4 6468 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [0,1,0,0,0,0|2,0,0]=3 6469 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [0,1,0,0,0,0|2,0,0]=3 6470 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,1,0,0,0,0|2,0,1]=4 6471 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,1,0,0,0,0|1,0,1]=3 6472 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,1,0,0,0,0|2,0,1]=4 6473 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,1,0,0,0,0|2,0,1]=4 6474 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,1,0,0,0,0|2,0,1]=4 6475 B10R0.78 CCOCC(C)OCC(C)C 34a_100000718985_100000210624 [0,1,0,0,0,0|3,0,0]=4 6476 B10R0.78 CCOCC(C)OCC(C)C 7a_100000718985_100000210760 [0,1,0,0,0,0|3,0,0]=4 6477 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [0,1,0,0,0,0|2,0,0]=3 6478 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [0,1,0,0,0,0|2,0,0]=3 6479 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [0,1,0,0,0,0|2,0,0]=3 6480 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [0,1,0,0,0,0|2,0,0]=3 6481 B10R0.78 CCOCC(O)CNC(C)C 2230a_102515437182_100000210206 [0,1,0,0,0,0|3,0,0]=4 6482 B10R0.78 CCOCC(O)CNC(C)C 34a_102515437182_100000210206 [0,1,0,0,0,0|3,0,0]=4 6483 B10R0.78 CCOCN(C)CCC(C)C 269982a_100000742789_100000739092 [0,1,0,0,0,0|3,0,0]=4 6484 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,1,0,0,0,0|2,0,1]=4 6485 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,1,0,0,0,0|1,0,1]=3 6486 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,1,0,0,0,0|2,0,1]=4 6487 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,1,0,0,0,0|2,0,1]=4 6488 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,1,0,0,0,0|2,0,1]=4 6489 B10R0.78 CCSCC(C)NCC(C)C 270004a_100000210953_200011216171 [0,1,0,0,0,0|3,0,0]=4 6490 B10R0.78 CCSCC(C)NCC(C)O 270004a_100000210904_200011216171 [0,1,0,0,0,0|2,0,0]=3 6491 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,1,0,0,0,0|2,0,1]=4 6492 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,1,0,0,0,0|2,0,1]=4 6493 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,1,0,0,0,0|1,0,1]=3 6494 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,1,0,0,0,0|2,0,1]=4 6495 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,1,0,0,0,0|2,0,1]=4 6496 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,1,0,0,0,0|2,0,1]=4 6497 B10R0.78 COCCC(C)NCC(C)C 270004a_100000210953_100000742357 [0,1,0,0,0,0|3,0,0]=4 6498 B10R0.78 COCCC(C)NCC(C)O 270004a_100000210904_100000742357 [0,1,0,0,0,0|2,0,0]=3 6499 B10R0.78 COCCN(C)CCC(C)C 2230a_100000742789_100011201679 [0,1,0,0,0,0|3,0,0]=4 6500 B10R0.78 COCCN(C)CCC(C)C 2230a_100000743101_100000210312 [0,1,0,0,0,0|3,0,0]=4 6501 B10R0.78 COCCN(C)CCC(C)C 269982a_100000742789_100000233755 [0,1,0,0,0,0|3,0,0]=4 6502 B10R0.78 COCCN(C)CCC(C)C 269982a_100000743101_100000210312 [0,1,0,0,0,0|3,0,0]=4 6503 B10R0.78 COCCN(C)CCC(C)O 2230a_100000743101_100012276601 [0,1,0,0,0,0|2,0,0]=3 6504 B10R0.78 COCCN(C)CCC(C)O 269982a_100000743101_100012276601 [0,1,0,0,0,0|2,0,0]=3 6505 B10R0.78 COCNC(C)CCC(C)C 2230a_100138410893_100000766300 [0,1,0,0,0,0|3,0,0]=4 6506 B10R0.78 COCSC(C)CCC(C)C 62a_100000766300_100011261404 [0,1,0,0,0,0|3,0,0]=4 6507 B10R0.78 COCSC(C)CCC(C)C 62a_100011261404_100000766300 [0,1,0,0,0,0|3,0,0]=4 6508 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,1,0,0,0,0|2,0,1]=4 6509 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,1,0,0,0,0|2,0,1]=4 6510 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,1,0,0,0,0|1,0,1]=3 6511 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,1,0,0,0,0|2,0,1]=4 6512 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,1,0,0,0,0|2,0,1]=4 6513 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,1,0,0,0,0|2,0,1]=4 6514 B10R0.78 CSCCC(C)NCC(C)C 270004a_100000210953_100011217047 [0,1,0,0,0,0|3,0,0]=4 6515 B10R0.78 CSCCC(C)NCC(C)O 270004a_100000210904_100011217047 [0,1,0,0,0,0|2,0,0]=3 6516 B10R0.78 CSCCN(C)CCC(C)C 2230a_100000686725_100000210312 [0,1,0,0,0,0|3,0,0]=4 6517 B10R0.78 CSCCN(C)CCC(C)C 2230a_100000742789_100000751147 [0,1,0,0,0,0|3,0,0]=4 6518 B10R0.78 CSCCN(C)CCC(C)C 269982a_100000686725_100000210312 [0,1,0,0,0,0|3,0,0]=4 6519 B10R0.78 CSCCN(C)CCC(C)C 269982a_100000742789_100000212216 [0,1,0,0,0,0|3,0,0]=4 6520 B10R0.78 CSCCN(C)CCC(C)O 2230a_100000686725_100012276601 [0,1,0,0,0,0|2,0,0]=3 6521 B10R0.78 CSCCN(C)CCC(C)O 269982a_100000686725_100012276601 [0,1,0,0,0,0|2,0,0]=3 6522 B10R0.78 CSCC[C@H](N)COC(C)C 34a_100011827619_100000210206 [0,1,0,0,0,0|3,0,0]=4 6523 B10R0.78 CSCNC(C)CCC(C)C 2230a_100138410893_100011218213 [0,1,0,0,0,0|3,0,0]=4 6524 B10R0.78 CSCOC(C)CCC(C)C 34a_100011215350_100011218213 [0,1,0,0,0,0|3,0,0]=4 6525 B10R0.78 CSCSC(C)CCC(C)C 62a_100011218213_100011261404 [0,1,0,0,0,0|3,0,0]=4 6526 B10R0.78 CSCSC(C)CCC(C)C 62a_100011261404_100011218213 [0,1,0,0,0,0|3,0,0]=4 6527 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,1,0,0,0,0|1,0,2]=4 6528 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,1,0,0,0,0|1,0,1]=3 6529 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,1,0,0,0,0|2,0,1]=4 6530 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,1,0,0,0,0|2,0,1]=4 6531 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,1,0,0,0,0|2,0,1]=4 6532 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,1,0,0,0,0|2,0,1]=4 6533 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,1,0,0,0,0|1,0,1]=3 6534 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,1,0,0,0,0|2,0,1]=4 6535 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,1,0,0,0,0|2,0,1]=4 6536 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,1,0,0,0,0|2,0,1]=4 6537 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,1,0,0,0,0|1,0,1]=3 6538 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,1,0,0,0,0|1,0,1]=3 6539 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,1,0,0,0,0|2,0,1]=4 6540 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,1,0,0,0,0|2,0,1]=4 6541 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,1,0,0,0,0|2,0,1]=4 6542 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,1,0,0,0,0|2,0,1]=4 6543 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,1,0,0,0,0|2,0,1]=4 6544 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,1,0,0,0,0|1,0,1]=3 6545 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,1,0,0,0,0|2,0,1]=4 6546 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,1,0,0,0,0|2,0,1]=4 6547 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,1,0,0,0,0|1,0,1]=3 6548 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,1,0,0,0,0|1,0,1]=3 6549 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,1,0,0,0,0|1,0,2]=4 6550 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,1,0,0,0,0|1,0,2]=4 6551 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,1,0,0,0,0|1,0,2]=4 6552 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [0,1,0,0,0,0|1,0,2]=4 6553 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [0,1,0,0,0,0|1,0,2]=4 6554 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [0,1,0,0,0,0|1,0,2]=4 6555 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [0,1,0,0,0,0|1,0,2]=4 6556 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [0,1,0,0,0,0|1,0,2]=4 6557 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [0,1,0,0,0,0|1,0,2]=4 6558 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [0,1,0,0,0,0|1,0,2]=4 6559 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [0,1,0,0,0,0|1,0,2]=4 6560 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [0,1,0,0,0,0|1,0,2]=4 6561 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [0,1,0,0,0,0|1,0,2]=4 6562 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [0,1,0,0,0,0|1,0,2]=4 6563 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,1,0,0,0,0|2,0,1]=4 6564 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,0,0,0,0|0,0,2]=3 6565 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,0,0,0,0|0,0,2]=3 6566 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,1,0,0,0,0|1,0,2]=4 6567 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,1,0,0,0,0|1,0,2]=4 6568 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,1,0,0,0,0|1,0,2]=4 6569 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,1,0,0,0,0|1,0,2]=4 6570 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,0,0,0,0|1,0,2]=4 6571 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,0,0,0,0|1,0,1]=3 6572 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,0,0,0,0|1,0,2]=4 6573 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,0,0,0,0|1,0,2]=4 6574 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,0,0,0,0|1,0,2]=4 6575 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,0,0,0,0|1,0,2]=4 6576 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,0,0,0,0|1,0,2]=4 6577 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,0,0,0,0|1,0,1]=3 6578 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,0,0,0,0|1,0,1]=3 6579 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,0,0,0,0|1,0,2]=4 6580 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,0,0,0,0|1,0,2]=4 6581 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,0,0,0,0|1,0,1]=3 6582 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,0,0,0,0|1,0,1]=3 6583 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,0,0,0,0|1,0,2]=4 6584 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,0,0,0,0|1,0,2]=4 6585 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,0,0,0,0|1,0,1]=3 6586 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,0,0,0,0|1,0,1]=3 6587 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,0,0,0,0|1,0,1]=3 6588 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,0,0,0,0|1,0,1]=3 6589 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,1,0,0,0,0|1,0,2]=4 6590 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,1,0,0,0,0|1,0,2]=4 6591 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,1,0,0,0,0|1,0,2]=4 6592 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,0,0,0,0|1,0,1]=3 6593 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,0,0,0,0|1,0,1]=3 6594 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,1,0,0,0,0|1,0,2]=4 6595 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,1,0,0,0,0|1,0,2]=4 6596 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,0,0,0,0|1,0,1]=3 6597 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,0,0,0,0|1,0,1]=3 6598 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,1,0,0,0,0|1,0,2]=4 6599 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,0,0,0,0|1,0,1]=3 6600 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,1,0,0,0,0|2,0,1]=4 6601 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,1,0,0,0,0|2,0,1]=4 6602 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,1,0,0,0,0|2,0,1]=4 6603 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,1,0,0,0,0|2,0,1]=4 6604 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,1,0,0,0,0|2,0,1]=4 6605 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,1,0,0,0,0|2,0,1]=4 6606 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,1,0,0,0,0|2,0,1]=4 6607 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,1,0,0,0,0|2,0,1]=4 6608 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,1,0,0,0,0|2,0,1]=4 6609 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,1,0,0,0,0|2,0,1]=4 6610 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,1,0,0,0,0|2,0,1]=4 6611 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,1,0,0,0,0|2,0,1]=4 6612 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,1,0,0,0,0|2,0,1]=4 6613 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,1,0,0,0,0|2,0,1]=4 6614 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,1,0,0,0,0|2,0,1]=4 6615 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,1,0,0,0,0|2,0,1]=4 6616 B10R0.97 CC(Br)CCOCOC(C)C 34a_100009893172_100000709892 [0,1,0,0,0,0|3,0,0]=4 6617 B10R0.97 CC(Br)COCCOC(C)C 34a_100012180447_100000211751 [0,1,0,0,0,0|3,0,0]=4 6618 B10R0.97 CC(Br)COCCSC(C)C 34a_100012180447_100000730970 [0,1,0,0,0,0|3,0,0]=4 6619 B10R0.97 CC(C)CC=NNCC(C)O 4a_200000730056_100000185833 [0,1,0,0,0,0|2,0,1]=4 6620 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,0,0,0,0|0,0,2]=3 6621 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,1,0,0,0,0|2,0,0]=3 6622 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,1,0,0,0,0|2,0,0]=3 6623 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [0,1,0,0,0,0|2,0,0]=3 6624 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [0,1,0,0,0,0|2,0,0]=3 6625 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [0,1,0,0,0,0|2,0,0]=3 6626 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [0,1,0,0,0,0|2,0,0]=3 6627 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [0,1,0,0,0,0|2,0,0]=3 6628 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [0,1,0,0,0,0|2,0,0]=3 6629 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [0,1,0,0,0,0|2,0,0]=3 6630 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,1,0,0,0,0|2,0,1]=4 6631 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [0,1,0,0,0,0|2,0,0]=3 6632 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [0,1,0,0,0,0|2,0,0]=3 6633 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [0,1,0,0,0,0|2,0,0]=3 6634 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [0,1,0,0,0,0|2,0,0]=3 6635 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [0,1,0,0,0,0|2,0,0]=3 6636 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,1,0,0,0,0|1,0,0]=2 6637 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,1,0,0,0,0|1,0,0]=2 6638 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,1,0,0,0,0|1,0,0]=2 6639 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,1,0,0,0,0|1,0,0]=2 6640 B10R0.97 CC(C)CCCNCC(F)F 2230a_200000737386_100011934356 [0,1,0,0,0,0|3,0,0]=4 6641 B10R0.97 CC(C)CCCNCC(F)F 34a_100000765723_100011214892 [0,1,0,0,0,0|3,0,0]=4 6642 B10R0.97 CC(C)CCCNCC(F)F 34a_200000737386_100011934356 [0,1,0,0,0,0|3,0,0]=4 6643 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,1,0,0,0,0|1,0,0]=2 6644 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,1,0,0,0,0|1,0,0]=2 6645 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [0,1,0,0,0,0|2,0,0]=3 6646 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [0,1,0,0,0,0|2,0,0]=3 6647 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [0,1,0,0,0,0|2,0,0]=3 6648 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [0,1,0,0,0,0|2,0,0]=3 6649 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [0,1,0,0,0,0|2,0,0]=3 6650 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,1,0,0,0,0|1,0,0]=2 6651 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,1,0,0,0,0|1,0,0]=2 6652 B10R0.97 CC(C)CCCOCC(F)F 34a_100000210774_100011934356 [0,1,0,0,0,0|3,0,0]=4 6653 B10R0.97 CC(C)CCCOCC(F)F 34a_100000743014_100011214892 [0,1,0,0,0,0|3,0,0]=4 6654 B10R0.97 CC(C)CCCOCC(F)F 7a_100000210774_100011934356 [0,1,0,0,0,0|3,0,0]=4 6655 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [0,1,0,0,0,0|2,0,0]=3 6656 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [0,1,0,0,0,0|2,0,0]=3 6657 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,1,0,0,0,0|1,0,0]=2 6658 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,1,0,0,0,0|1,0,0]=2 6659 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [0,1,0,0,0,0|2,0,0]=3 6660 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [0,1,0,0,0,0|2,0,0]=3 6661 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,1,0,0,0,0|1,0,0]=2 6662 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,1,0,0,0,0|1,0,0]=2 6663 B10R0.97 CC(C)CCCSCC(F)F 62a_100011214892_100011934356 [0,1,0,0,0,0|3,0,0]=4 6664 B10R0.97 CC(C)CCCSCC(F)F 62a_100011934356_100011214892 [0,1,0,0,0,0|3,0,0]=4 6665 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,1,0,0,0,0|1,0,0]=2 6666 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,1,0,0,0,0|1,0,0]=2 6667 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [0,1,0,0,0,0|2,0,0]=3 6668 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,1,0,0,0,0|1,0,0]=2 6669 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,1,0,0,0,0|1,0,0]=2 6670 B10R0.97 CC(C)CCNCCN(C)C 269862a_100000210585_100000185833 [0,1,0,0,0,0|3,0,0]=4 6671 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [0,1,0,0,0,0|2,0,0]=3 6672 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [0,1,0,0,0,0|2,0,0]=3 6673 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [0,1,0,0,0,0|2,0,0]=3 6674 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,1,0,0,0,0|1,0,0]=2 6675 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,1,0,0,0,0|1,0,0]=2 6676 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [0,1,0,0,0,0|3,0,0]=4 6677 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [0,1,0,0,0,0|3,0,0]=4 6678 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [0,1,0,0,0,0|2,0,0]=3 6679 B10R0.97 CC(C)CCOCOC(C)C 34a_100000210254_100000709892 [0,1,0,0,0,0|3,0,0]=4 6680 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [0,1,0,0,0,0|2,0,0]=3 6681 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,1,0,0,0,0|1,0,0]=2 6682 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,1,0,0,0,0|1,0,0]=2 6683 B10R0.97 CC(C)CCSCCN(C)C 62a_100000210312_100000755713 [0,1,0,0,0,0|3,0,0]=4 6684 B10R0.97 CC(C)CCSCOC(C)C 62a_100000210312_100000709892 [0,1,0,0,0,0|3,0,0]=4 6685 B10R0.97 CC(C)CCSCOC(C)C 62a_100000709892_100000210312 [0,1,0,0,0,0|3,0,0]=4 6686 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,1,0,0,0,0|1,0,0]=2 6687 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,1,0,0,0,0|1,0,0]=2 6688 B10R0.97 CC(C)CNCCCN(C)C 270004a_102531767803_100000210432 [0,1,0,0,0,0|3,0,0]=4 6689 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,1,0,0,0,0|2,0,1]=4 6690 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,1,0,0,0,0|2,0,1]=4 6691 B10R0.97 CC(C)CNCCOC(C)C 2230a_100000210953_100000211751 [0,1,0,0,0,0|3,0,0]=4 6692 B10R0.97 CC(C)CNCCOC(C)C 2230a_100000701111_100000210760 [0,1,0,0,0,0|3,0,0]=4 6693 B10R0.97 CC(C)CNCCOC(C)C 270004a_100000701111_100000210432 [0,1,0,0,0,0|3,0,0]=4 6694 B10R0.97 CC(C)CNCCOC(C)C 34a_100000210953_100000211751 [0,1,0,0,0,0|3,0,0]=4 6695 B10R0.97 CC(C)CNCCOC(C)C 34a_100000701111_100000210624 [0,1,0,0,0,0|3,0,0]=4 6696 B10R0.97 CC(C)CNCCOC(C)C 34a_100015185251_100000210206 [0,1,0,0,0,0|3,0,0]=4 6697 B10R0.97 CC(C)CNCCSC(C)C 2230a_100000210953_100000730970 [0,1,0,0,0,0|3,0,0]=4 6698 B10R0.97 CC(C)CNCCSC(C)C 2230a_100000731138_100000210760 [0,1,0,0,0,0|3,0,0]=4 6699 B10R0.97 CC(C)CNCCSC(C)C 270004a_100000731138_100000210432 [0,1,0,0,0,0|3,0,0]=4 6700 B10R0.97 CC(C)CNCCSC(C)C 34a_100000210953_100000730970 [0,1,0,0,0,0|3,0,0]=4 6701 B10R0.97 CC(C)CNCCSC(C)C 34a_100000731138_100000210624 [0,1,0,0,0,0|3,0,0]=4 6702 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,1,0,0,0,0|1,0,0]=2 6703 B10R0.97 CC(C)COCCNC(C)C 34a_100000224655_100000210624 [0,1,0,0,0,0|3,0,0]=4 6704 B10R0.97 CC(C)COCCOC(C)C 34a_100000210257_100000211751 [0,1,0,0,0,0|3,0,0]=4 6705 B10R0.97 CC(C)COCCOC(C)C 34a_100000211219_100000210624 [0,1,0,0,0,0|3,0,0]=4 6706 B10R0.97 CC(C)COCCOC(C)C 34a_100000703358_100000210206 [0,1,0,0,0,0|3,0,0]=4 6707 B10R0.97 CC(C)COCCOC(C)C 7a_100000211219_100000210760 [0,1,0,0,0,0|3,0,0]=4 6708 B10R0.97 CC(C)COCCOC(C)C 7a_100000703358_100000210206 [0,1,0,0,0,0|3,0,0]=4 6709 B10R0.97 CC(C)COCCSC(C)C 34a_100000210257_100000730970 [0,1,0,0,0,0|3,0,0]=4 6710 B10R0.97 CC(C)COCCSC(C)C 34a_200011212901_100000210624 [0,1,0,0,0,0|3,0,0]=4 6711 B10R0.97 CC(C)COCCSC(C)C 7a_200011212901_100000210760 [0,1,0,0,0,0|3,0,0]=4 6712 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,1,0,0,0,0|1,0,0]=2 6713 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,1,0,0,0,0|1,0,0]=2 6714 B10R0.97 CC(C)CSCCCN(C)C 62a_100000210624_100000757444 [0,1,0,0,0,0|3,0,0]=4 6715 B10R0.97 CC(C)CSCCOC(C)C 34a_200000230437_100000210206 [0,1,0,0,0,0|3,0,0]=4 6716 B10R0.97 CC(C)CSCCOC(C)C 62a_100000210624_100000211751 [0,1,0,0,0,0|3,0,0]=4 6717 B10R0.97 CC(C)CSCCOC(C)C 62a_100000211751_100000210760 [0,1,0,0,0,0|3,0,0]=4 6718 B10R0.97 CC(C)CSCCOC(C)C 7a_200000230437_100000210206 [0,1,0,0,0,0|3,0,0]=4 6719 B10R0.97 CC(C)CSCCSC(C)C 62a_100000210624_100000730970 [0,1,0,0,0,0|3,0,0]=4 6720 B10R0.97 CC(C)CSCCSC(C)C 62a_100000730970_100000210760 [0,1,0,0,0,0|3,0,0]=4 6721 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [0,1,0,0,0,0|3,0,0]=4 6722 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [0,1,0,0,0,0|3,0,0]=4 6723 B10R0.97 CC(C)NCCCOC(C)C 2230a_100000737246_100000210206 [0,1,0,0,0,0|3,0,0]=4 6724 B10R0.97 CC(C)NCCCOC(C)C 34a_100000182298_100000210206 [0,1,0,0,0,0|3,0,0]=4 6725 B10R0.97 CC(C)NCCCOC(C)C 34a_100000737246_100000210206 [0,1,0,0,0,0|3,0,0]=4 6726 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [0,1,0,0,0,0|2,0,0]=3 6727 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [0,1,0,0,0,0|3,0,0]=4 6728 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [0,1,0,0,0,0|2,0,0]=3 6729 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [0,1,0,0,0,0|2,0,0]=3 6730 B10R0.97 CC(C)OCCOC[C@@H](C)Cl 34a_100016084084_100000211751 [0,1,0,0,0,0|3,0,0]=4 6731 B10R0.97 CC(C)OCCOC[C@@H](C)N 34a_100000737577_100000211751 [0,1,0,0,0,0|3,0,0]=4 6732 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,1,0,0,0,0|2,0,0]=3 6733 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,1,0,0,0,0|2,0,0]=3 6734 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [0,1,0,0,0,0|2,0,0]=3 6735 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [0,1,0,0,0,0|2,0,0]=3 6736 B10R0.97 CC(C)OCOCC[C@@H](C)N 34a_100000706166_100000709892 [0,1,0,0,0,0|3,0,0]=4 6737 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [0,1,0,0,0,0|3,0,0]=4 6738 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [0,1,0,0,0,0|3,0,0]=4 6739 B10R0.97 CC(C)SCCCCN(C)C 62a_100000210206_100000690147 [0,1,0,0,0,0|3,0,0]=4 6740 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [0,1,0,0,0,0|2,0,0]=3 6741 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [0,1,0,0,0,0|2,0,0]=3 6742 B10R0.97 CC(C)SCCOC[C@@H](C)Cl 34a_100016084084_100000730970 [0,1,0,0,0,0|3,0,0]=4 6743 B10R0.97 CC(C)SCCOC[C@@H](C)N 34a_100000737577_100000730970 [0,1,0,0,0,0|3,0,0]=4 6744 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [0,1,0,0,0,0|2,0,0]=3 6745 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [0,1,0,0,0,0|2,0,0]=3 6746 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [0,1,0,0,0,0|2,0,0]=3 6747 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [0,1,0,0,0,0|2,0,0]=3 6748 B10R0.97 CC(F)COCCOC(C)C 34a_100015925927_100000211751 [0,1,0,0,0,0|3,0,0]=4 6749 B10R0.97 CC(F)COCCSC(C)C 34a_100015925927_100000730970 [0,1,0,0,0,0|3,0,0]=4 6750 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,1,0,0,0,0|2,0,1]=4 6751 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,1,0,0,0,0|2,0,1]=4 6752 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,1,0,0,0,0|1,0,0]=2 6753 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,1,0,0,0,0|1,0,0]=2 6754 B10R0.97 CC(O)CCCNCC(F)F 34a_100000765723_200000718107 [0,1,0,0,0,0|2,0,0]=3 6755 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [0,1,0,0,0,0|1,0,0]=2 6756 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [0,1,0,0,0,0|1,0,0]=2 6757 B10R0.97 CC(O)CCCOCC(F)F 34a_100000743014_200000718107 [0,1,0,0,0,0|2,0,0]=3 6758 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [0,1,0,0,0,0|1,0,0]=2 6759 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,1,0,0,0,0|1,0,0]=2 6760 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,1,0,0,0,0|2,0,1]=4 6761 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,1,0,0,0,0|2,0,1]=4 6762 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,1,0,0,0,0|2,0,1]=4 6763 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,1,0,0,0,0|2,0,1]=4 6764 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,1,0,0,0,0|1,0,0]=2 6765 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,1,0,0,0,0|1,0,0]=2 6766 B10R0.97 CC(O)CCCSCC(F)F 62a_100011934356_200000718107 [0,1,0,0,0,0|2,0,0]=3 6767 B10R0.97 CC(O)CCCSCC(F)F 62a_200000718107_100011934356 [0,1,0,0,0,0|2,0,0]=3 6768 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,1,0,0,0,0|1,0,0]=2 6769 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,1,0,0,0,0|1,0,0]=2 6770 B10R0.97 CC(O)CCCSC[N+](=O)[O-] 62a_200000718107_100000761209 [0,1,0,0,0,0|3,0,0]=4 6771 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,1,0,0,0,0|2,0,1]=4 6772 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [0,1,0,0,0,0|1,0,0]=2 6773 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [0,1,0,0,0,0|2,0,0]=3 6774 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,1,0,0,0,0|2,0,1]=4 6775 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,1,0,0,0,0|2,0,1]=4 6776 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,1,0,0,0,0|1,0,0]=2 6777 B10R0.97 CC(O)CCOCCC(F)F 34a_100103093639_100012276601 [0,1,0,0,0,0|2,0,0]=3 6778 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,1,0,0,0,0|1,0,0]=2 6779 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,1,0,0,0,0|2,0,1]=4 6780 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,1,0,0,0,0|2,0,1]=4 6781 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,1,0,0,0,0|1,0,0]=2 6782 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [0,1,0,0,0,0|2,0,0]=3 6783 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [0,1,0,0,0,0|2,0,0]=3 6784 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [0,1,0,0,0,0|2,0,0]=3 6785 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,1,0,0,0,0|2,0,1]=4 6786 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,1,0,0,0,0|2,0,1]=4 6787 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,1,0,0,0,0|2,0,0]=3 6788 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [0,1,0,0,0,0|2,0,0]=3 6789 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [0,1,0,0,0,0|2,0,0]=3 6790 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [0,1,0,0,0,0|2,0,0]=3 6791 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [0,1,0,0,0,0|2,0,0]=3 6792 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [0,1,0,0,0,0|2,0,0]=3 6793 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [0,1,0,0,0,0|2,0,0]=3 6794 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [0,1,0,0,0,0|2,0,0]=3 6795 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [0,1,0,0,0,0|2,0,0]=3 6796 B10R0.97 CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218427 [0,1,0,0,0,0|3,0,0]=4 6797 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [0,1,0,0,0,0|2,0,0]=3 6798 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,1,0,0,0,0|2,0,0]=3 6799 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,1,0,0,0,0|2,0,0]=3 6800 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [0,1,0,0,0,0|2,0,0]=3 6801 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [0,1,0,0,0,0|2,0,0]=3 6802 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,1,0,0,0,0|2,0,1]=4 6803 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,1,0,0,0,0|2,0,1]=4 6804 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [0,1,0,0,0,0|2,0,0]=3 6805 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [0,1,0,0,0,0|2,0,0]=3 6806 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [0,1,0,0,0,0|2,0,0]=3 6807 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [0,1,0,0,0,0|2,0,0]=3 6808 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [0,1,0,0,0,0|2,0,0]=3 6809 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,1,0,0,0,0|3,0,0]=4 6810 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,1,0,0,0,0|3,0,0]=4 6811 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,1,0,0,0,0|2,0,1]=4 6812 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,1,0,0,0,0|2,0,0]=3 6813 B10R0.97 C[C@@H](O)COCCC[N+](=O)[O-] 34a_200000037920_100009817552 [0,1,0,0,0,0|3,0,0]=4 6814 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,1,0,0,0,0|2,0,1]=4 6815 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,1,0,0,0,0|2,0,1]=4 6816 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [0,1,0,0,0,0|2,0,0]=3 6817 B10R1.10 C#CCN1CCCC(C1)O 2230a_100000211013_100000038162 [0,0,0,1,0,0|1,0,2]=4 6818 B10R1.10 C=CCN1CCCC(C1)O 2230a_100000211013_100000210623 [0,0,0,1,0,0|1,0,2]=4 6819 B10R1.10 C=CCN1CCCC(C1)O 269982a_100000211013_100000210623 [0,0,0,1,0,0|1,0,2]=4 6820 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,0,0,1,0,0|3,0,0]=4 6821 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,0,0,1,0,0|3,0,0]=4 6822 B10R1.10 CC1CNCC(C1)CO[13CH3] 34a_200012821172_200025704644 [0,0,0,1,0,0|3,0,0]=4 6823 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [0,0,0,1,0,0|2,0,0]=3 6824 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [0,0,0,1,0,0|2,0,0]=3 6825 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [0,0,0,1,0,0|2,0,0]=3 6826 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,0,0,1,0,0|1,0,0]=2 6827 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,0,0,1,0,0|1,0,0]=2 6828 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,0,0,1,0,0|2,0,0]=3 6829 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,0,0,1,0,0|2,0,0]=3 6830 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,0,0,1,0,0|2,0,0]=3 6831 B10R1.10 CCCN1CCOC(C1)C 2230a_100000729577_100000210303 [0,0,0,1,0,0|3,0,0]=4 6832 B10R1.10 CCCN1CCOC(C1)C 269982a_100000729577_100000210303 [0,0,0,1,0,0|3,0,0]=4 6833 B10R1.10 CCCN1CCOC(C1)C 34a_100000729577_100000210303 [0,0,0,1,0,0|3,0,0]=4 6834 B10R1.10 CCCN1CCOC(C1)O 2230a_100000688207_100000210303 [0,0,0,1,0,0|2,0,0]=3 6835 B10R1.10 CCCN1CCOC(C1)O 269982a_100000688207_100000210303 [0,0,0,1,0,0|2,0,0]=3 6836 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,0,0,1,0,0|2,0,0]=3 6837 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,0,0,1,0,0|2,0,0]=3 6838 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,0,0,1,0,0|2,0,0]=3 6839 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,0,0,1,0,0|1,0,0]=2 6840 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,0,0,1,0,0|1,0,0]=2 6841 B10R1.10 CCNC1CCN[C@@H](C1)C 270004a_100015525214_100016994030 [0,0,0,1,0,0|3,0,0]=4 6842 B10R1.10 CCNC1CCOC(C1)C 270004a_100015525214_100000755752 [0,0,0,1,0,0|3,0,0]=4 6843 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,0,0,1,0,0|2,0,1]=4 6844 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|1,0,2]=4 6845 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,0,0,1,0,0|2,0,0]=3 6846 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,0,0,1,0,0|3,0,0]=4 6847 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,0,0,1,0,0|3,0,0]=4 6848 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,0,0,1,0,0|3,0,0]=4 6849 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,0,0,1,0,0|3,0,0]=4 6850 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,0,0,1,0,0|3,0,0]=4 6851 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,0,0,1,0,0|3,0,0]=4 6852 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,0,0,1,0,0|3,0,0]=4 6853 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,0,0,1,0,0|3,0,0]=4 6854 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,0,0,1,0,0|3,0,0]=4 6855 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,0,0,1,0,0|3,0,0]=4 6856 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,0,0,1,0,0|3,0,0]=4 6857 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_100000752043_200025704644 [0,0,0,1,0,0|3,0,0]=4 6858 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_200025704644_100000752043 [0,0,0,1,0,0|3,0,0]=4 6859 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,0,0,1,0,0|1,0,0]=2 6860 B10R1.10 CNCC1CCCN(C1)C 34a_100102657272_100015183302 [0,0,0,1,0,0|3,0,0]=4 6861 B10R1.10 CNCC1CCCN(C1)C 7a_106832991635_100000752043 [0,0,0,1,0,0|3,0,0]=4 6862 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,0,0,1,0,0|3,0,0]=4 6863 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,0,0,1,0,0|3,0,0]=4 6864 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,0,0,1,0,0|3,0,0]=4 6865 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,0,0,1,0,0|3,0,0]=4 6866 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,0,0,1,0,0|3,0,0]=4 6867 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,0,0,1,0,0|3,0,0]=4 6868 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,0,0,1,0,0|3,0,0]=4 6869 B10R1.10 COCC1CNCC(C1)C 34a_200012821172_200000210301 [0,0,0,1,0,0|3,0,0]=4 6870 B10R1.10 COCN1CCCC(C1)F 2230a_100000697950_100000766300 [0,0,0,1,0,0|3,0,0]=4 6871 B10R1.10 COCN1CCCC(C1)F 269982a_100000697950_100000766300 [0,0,0,1,0,0|3,0,0]=4 6872 B10R1.10 COCN1CCCC(C1)O 2230a_100000211013_100000766300 [0,0,0,1,0,0|2,0,0]=3 6873 B10R1.10 COCN1CCCC(C1)O 269982a_100000211013_100000766300 [0,0,0,1,0,0|2,0,0]=3 6874 B10R1.10 COCN1CCC[C@@H](C1)C 2230a_100000717927_100000766300 [0,0,0,1,0,0|3,0,0]=4 6875 B10R1.10 COCN1CCC[C@@H](C1)C 269982a_100000717927_100000766300 [0,0,0,1,0,0|3,0,0]=4 6876 B10R1.10 COCN1CCOC(C1)O 2230a_100000688207_100000766300 [0,0,0,1,0,0|3,0,0]=4 6877 B10R1.10 COCN1CCOC(C1)O 269982a_100000688207_100000766300 [0,0,0,1,0,0|3,0,0]=4 6878 B10R1.10 CSCC1CCCN(C1)C 62a_100000752043_200000210301 [0,0,0,1,0,0|3,0,0]=4 6879 B10R1.10 CSCC1CCCN(C1)C 62a_200000210301_100000752043 [0,0,0,1,0,0|3,0,0]=4 6880 B10R1.10 CSCN1CCCC(C1)F 2230a_100000697950_100011218213 [0,0,0,1,0,0|3,0,0]=4 6881 B10R1.10 CSCN1CCCC(C1)F 269982a_100000697950_100011218213 [0,0,0,1,0,0|3,0,0]=4 6882 B10R1.10 CSCN1CCCC(C1)F 34a_100000697950_100011218213 [0,0,0,1,0,0|3,0,0]=4 6883 B10R1.10 CSCN1CCCC(C1)O 2230a_100000211013_100011218213 [0,0,0,1,0,0|2,0,0]=3 6884 B10R1.10 CSCN1CCCC(C1)O 269982a_100000211013_100011218213 [0,0,0,1,0,0|2,0,0]=3 6885 B10R1.10 CSCN1CCC[C@@H](C1)C 2230a_100000717927_100011218213 [0,0,0,1,0,0|3,0,0]=4 6886 B10R1.10 CSCN1CCC[C@@H](C1)C 269982a_100000717927_100011218213 [0,0,0,1,0,0|3,0,0]=4 6887 B10R1.10 CSCN1CCC[C@@H](C1)C 34a_100000717927_100011218213 [0,0,0,1,0,0|3,0,0]=4 6888 B10R1.10 CSCN1CCOC(C1)O 2230a_100000688207_100011218213 [0,0,0,1,0,0|3,0,0]=4 6889 B10R1.10 CSCN1CCOC(C1)O 269982a_100000688207_100011218213 [0,0,0,1,0,0|3,0,0]=4 6890 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [0,0,0,1,0,0|3,0,0]=4 6891 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [0,0,0,1,0,0|3,0,0]=4 6892 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [0,0,0,1,0,0|3,0,0]=4 6893 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,0,0,1,0,0|3,0,0]=4 6894 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,0,0,1,0,0|3,0,0]=4 6895 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,0,0,1,0,0|3,0,0]=4 6896 B10R1.10 FCCN1CCCC(C1)F 2230a_100000697950_100011217306 [0,0,0,1,0,0|3,0,0]=4 6897 B10R1.10 FCCN1CCCC(C1)F 269982a_100000697950_100011217306 [0,0,0,1,0,0|3,0,0]=4 6898 B10R1.10 FCCN1CCCC(C1)F 34a_100000697950_100011217306 [0,0,0,1,0,0|3,0,0]=4 6899 B10R1.10 N#CCN1CCCC(C1)O 2230a_100000211013_100011215382 [0,0,0,1,0,0|2,0,1]=4 6900 B10R1.10 N#CCN1CCCC(C1)O 269982a_100000211013_100011214920 [0,0,0,1,0,0|2,0,1]=4 6901 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,0,0,1,0,0|2,0,1]=4 6902 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,0,0,1,0,0|2,0,1]=4 6903 B10R1.10 OC1CCCN(C1)CCF 2230a_100000211013_100011217306 [0,0,0,1,0,0|2,0,0]=3 6904 B10R1.10 OC1CCCN(C1)CCF 269982a_100000211013_100011217306 [0,0,0,1,0,0|2,0,0]=3 6905 B10R1.10 OC1CN(CCO1)CCF 2230a_100000688207_100011217306 [0,0,0,1,0,0|3,0,0]=4 6906 B10R1.10 OC1CN(CCO1)CCF 269982a_100000688207_100011217306 [0,0,0,1,0,0|3,0,0]=4 6907 B10R1.10 OCCN1CCCC(C1)F 2230a_100000697950_100000211926 [0,0,0,1,0,0|3,0,0]=4 6908 B10R1.10 OCCN1CCCC(C1)F 269982a_100000697950_100000211926 [0,0,0,1,0,0|3,0,0]=4 6909 B10R1.10 OCCN1CCCC(C1)F 34a_100000697950_100000211926 [0,0,0,1,0,0|3,0,0]=4 6910 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [0,0,0,1,0,0|2,0,0]=3 6911 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [0,0,0,1,0,0|2,0,0]=3 6912 B10R1.10 OCCN1CCOC(C1)O 2230a_100000688207_100000211926 [0,0,0,1,0,0|3,0,0]=4 6913 B10R1.10 OCCN1CCOC(C1)O 269982a_100000688207_100000211926 [0,0,0,1,0,0|3,0,0]=4 6914 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,0,0,1,0,0|3,0,0]=4 6915 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,0,0,1,0,0|3,0,0]=4 6916 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,0,0,1,0,0|3,0,0]=4 6917 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,0,0,1,0,0|1,0,0]=2 6918 B10R1.16 C#CCCN1CCC(C1)O 2230a_100011215560_100000688953 [0,0,0,1,0,0|1,0,2]=4 6919 B10R1.16 C#CCCN1CCC(C1)O 269982a_100011215560_100000730999 [0,0,0,1,0,0|1,0,2]=4 6920 B10R1.16 C#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000038162 [0,0,0,1,0,0|1,0,2]=4 6921 B10R1.16 C/C=C/CN1CCC(C1)O 269982a_100011215560_100102629194 [0,0,0,1,0,0|1,0,2]=4 6922 B10R1.16 C=CCCN1CCC(C1)O 2230a_100011215560_100000754431 [0,0,0,1,0,0|1,0,2]=4 6923 B10R1.16 C=CCCN1CCC(C1)O 269982a_100011215560_100000754431 [0,0,0,1,0,0|1,0,2]=4 6924 B10R1.16 C=CCNC1CCC(C1)O 270004a_100020586998_100012614533 [0,0,0,1,0,0|1,0,2]=4 6925 B10R1.16 C=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210623 [0,0,0,1,0,0|1,0,2]=4 6926 B10R1.16 CC#CCN1CCC(C1)O 2230a_100011215560_100000748600 [0,0,0,1,0,0|1,0,2]=4 6927 B10R1.16 CC1CCC(C1)NCCO 270004a_100000210304_100011215218 [0,0,0,1,0,0|3,0,0]=4 6928 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [0,0,0,1,0,0|3,0,0]=4 6929 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [0,0,0,1,0,0|3,0,0]=4 6930 B10R1.16 CC=CCN1CCC(C1)O 2230a_100011215560_100000070051 [0,0,0,1,0,0|1,0,2]=4 6931 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,0,0,1,0,0|1,0,0]=2 6932 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,0,0,1,0,0|1,0,0]=2 6933 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,0,0,1,0,0|2,0,0]=3 6934 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,0,0,1,0,0|2,0,0]=3 6935 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,0,0,1,0,0|2,0,0]=3 6936 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,0,0,1,0,0|2,0,0]=3 6937 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,0,0,1,0,0|2,0,0]=3 6938 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,0,0,1,0,0|2,0,0]=3 6939 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,0,0,1,0,0|2,0,0]=3 6940 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,0,0,1,0,0|1,0,0]=2 6941 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,0,0,1,0,0|1,0,0]=2 6942 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,0|1,0,2]=4 6943 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,0,0,1,0,0|2,0,0]=3 6944 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,0,0,1,0,0|3,0,0]=4 6945 B10R1.16 CCNN=C1CCC(C1)O 4a_100000756455_100012614533 [0,0,0,1,0,0|2,0,1]=4 6946 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,0,0,1,0,0|3,0,0]=4 6947 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [0,0,0,1,0,0|2,0,0]=3 6948 B10R1.16 CCOCN1CC[C@@H](C1)F 269982a_100015203821_100000739092 [0,0,0,1,0,0|3,0,0]=4 6949 B10R1.16 CCOCN1CC[C@H](C1)C 269982a_100016987628_100000739092 [0,0,0,1,0,0|3,0,0]=4 6950 B10R1.16 CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210202 [0,0,0,1,0,0|3,0,0]=4 6951 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,0,0,1,0,0|3,0,0]=4 6952 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,0,0,1,0,0|3,0,0]=4 6953 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [0,0,0,1,0,0|2,0,0]=3 6954 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [0,0,0,1,0,0|2,0,0]=3 6955 B10R1.16 COCCN1CC[C@@H](C1)F 2230a_100015203821_100011201679 [0,0,0,1,0,0|3,0,0]=4 6956 B10R1.16 COCCN1CC[C@@H](C1)F 269982a_100015203821_100000233755 [0,0,0,1,0,0|3,0,0]=4 6957 B10R1.16 COCCN1CC[C@@H](C1)F 34a_100015203821_100011201679 [0,0,0,1,0,0|3,0,0]=4 6958 B10R1.16 COCCN1CC[C@H](C1)C 2230a_100016987628_100011201679 [0,0,0,1,0,0|3,0,0]=4 6959 B10R1.16 COCCN1CC[C@H](C1)C 269982a_100016987628_100000233755 [0,0,0,1,0,0|3,0,0]=4 6960 B10R1.16 COCCN1CC[C@H](C1)C 34a_100016987628_100011201679 [0,0,0,1,0,0|3,0,0]=4 6961 B10R1.16 COCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766300 [0,0,0,1,0,0|2,0,0]=3 6962 B10R1.16 CSCCN1CCC(C1)O 2230a_100011215560_100000751147 [0,0,0,1,0,0|2,0,0]=3 6963 B10R1.16 CSCCN1CCC(C1)O 269982a_100011215560_100000212216 [0,0,0,1,0,0|2,0,0]=3 6964 B10R1.16 CSCCN1CC[C@@H](C1)F 2230a_100015203821_100000751147 [0,0,0,1,0,0|3,0,0]=4 6965 B10R1.16 CSCCN1CC[C@@H](C1)F 269982a_100015203821_100000212216 [0,0,0,1,0,0|3,0,0]=4 6966 B10R1.16 CSCCN1CC[C@@H](C1)F 34a_100015203821_100000212216 [0,0,0,1,0,0|3,0,0]=4 6967 B10R1.16 CSCCN1CC[C@H](C1)C 2230a_100016987628_100000751147 [0,0,0,1,0,0|3,0,0]=4 6968 B10R1.16 CSCCN1CC[C@H](C1)C 269982a_100016987628_100000212216 [0,0,0,1,0,0|3,0,0]=4 6969 B10R1.16 CSCCN1CC[C@H](C1)C 34a_100016987628_100000212216 [0,0,0,1,0,0|3,0,0]=4 6970 B10R1.16 CSCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218213 [0,0,0,1,0,0|2,0,0]=3 6971 B10R1.16 CSCOC1CCC(C1)C 34a_100000698185_100011218213 [0,0,0,1,0,0|3,0,0]=4 6972 B10R1.16 C[C@@H]1CCN(C1)CCCF 2230a_100016987628_100011934791 [0,0,0,1,0,0|3,0,0]=4 6973 B10R1.16 C[C@@H]1CCN(C1)CCCF 269982a_100016987628_100011934791 [0,0,0,1,0,0|3,0,0]=4 6974 B10R1.16 C[C@@H]1CCN(C1)CCCF 34a_100016987628_100011934791 [0,0,0,1,0,0|3,0,0]=4 6975 B10R1.16 C[C@@H]1CCN(C1)CCCO 2230a_100016987628_100000230001 [0,0,0,1,0,0|3,0,0]=4 6976 B10R1.16 C[C@@H]1CCN(C1)CCCO 269982a_100016987628_100011215043 [0,0,0,1,0,0|3,0,0]=4 6977 B10R1.16 C[C@@H]1CCN(C1)CCCO 34a_100016987628_100000230001 [0,0,0,1,0,0|3,0,0]=4 6978 B10R1.16 FCCCN1CC[C@@H](C1)F 2230a_100015203821_100011934791 [0,0,0,1,0,0|3,0,0]=4 6979 B10R1.16 FCCCN1CC[C@@H](C1)F 269982a_100015203821_100011934791 [0,0,0,1,0,0|3,0,0]=4 6980 B10R1.16 FCCCN1CC[C@@H](C1)F 34a_100015203821_100011934791 [0,0,0,1,0,0|3,0,0]=4 6981 B10R1.16 N#CCCN1CCC(C1)O 2230a_100011215560_100011215226 [0,0,0,1,0,0|2,0,1]=4 6982 B10R1.16 N#CCCN1CCC(C1)O 269982a_100011215560_100011215226 [0,0,0,1,0,0|2,0,1]=4 6983 B10R1.16 N#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215382 [0,0,0,1,0,0|2,0,1]=4 6984 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200015260668 [0,0,0,1,0,0|2,0,1]=4 6985 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [0,0,0,1,0,0|2,0,0]=3 6986 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [0,0,0,1,0,0|2,0,0]=3 6987 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [0,0,0,1,0,0|2,0,0]=3 6988 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [0,0,0,1,0,0|2,0,0]=3 6989 B10R1.16 OCCCN1CC[C@@H](C1)F 2230a_100015203821_100000230001 [0,0,0,1,0,0|3,0,0]=4 6990 B10R1.16 OCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215043 [0,0,0,1,0,0|3,0,0]=4 6991 B10R1.16 OCCCN1CC[C@@H](C1)F 34a_100015203821_100000230001 [0,0,0,1,0,0|3,0,0]=4 6992 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,0,0,1,0,0|2,0,0]=3 6993 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,0,0,1,0,0|2,0,0]=3 6994 B10R1.16 O[C@@H]1CC[C@@H](C1)NCCF 2230a_100015195300_100011217306 [0,0,0,1,0,0|2,0,0]=3 6995 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,0|0,0,2]=3 6996 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,0|0,0,2]=3 6997 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,0|1,0,2]=4 6998 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,0|1,0,2]=4 6999 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,0|1,0,2]=4 7000 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,0|1,0,2]=4 7001 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,1,0,0|1,0,2]=4 7002 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,1,0,0|1,0,2]=4 7003 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,1,0,0|1,0,2]=4 7004 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 7005 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 7006 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 7007 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,0|1,0,2]=4 7008 B10R1.18 CC(C)CN1CCCOC1 2230a_100000131196_100000210760 [0,0,0,1,0,0|3,0,0]=4 7009 B10R1.18 CC(C)CN1CCCOC1 269982a_100000131196_100000210624 [0,0,0,1,0,0|3,0,0]=4 7010 B10R1.18 CC(C)CN1CCCOC1 270004a_100000131196_100000210432 [0,0,0,1,0,0|3,0,0]=4 7011 B10R1.18 CC(C)CN1CCCOC1 34a_100000131196_100000210624 [0,0,0,1,0,0|3,0,0]=4 7012 B10R1.18 CC(C)CN1CCOCC1 2230a_100015191051_100000210760 [0,0,0,1,0,0|3,0,0]=4 7013 B10R1.18 CC(C)CN1CCOCC1 269982a_100015191051_100000210624 [0,0,0,1,0,0|3,0,0]=4 7014 B10R1.18 CC(C)CN1CCOCC1 270004a_100015191051_100000210432 [0,0,0,1,0,0|3,0,0]=4 7015 B10R1.18 CC(C)CN1CCOCC1 34a_100015191051_100000210624 [0,0,0,1,0,0|3,0,0]=4 7016 B10R1.18 CC(C)CN1CCSCC1 2230a_100000737611_100000210760 [0,0,0,1,0,0|3,0,0]=4 7017 B10R1.18 CC(C)CN1CCSCC1 269982a_100000737611_100000210624 [0,0,0,1,0,0|3,0,0]=4 7018 B10R1.18 CC(C)CN1CCSCC1 270004a_100000737611_100000210432 [0,0,0,1,0,0|3,0,0]=4 7019 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,0,0,1,0,0|2,0,0]=3 7020 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,0,0,1,0,0|2,0,0]=3 7021 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,0,0,1,0,0|2,0,0]=3 7022 B10R1.18 CC(C)NC1CCCOC1 2230a_100000719290_100000210206 [0,0,0,1,0,0|3,0,0]=4 7023 B10R1.18 CC(C)NC1CCCOC1 34a_100000719290_100000210206 [0,0,0,1,0,0|3,0,0]=4 7024 B10R1.18 CC(C)NC1CCCOC1 34a_100138425928_100000693364 [0,0,0,1,0,0|3,0,0]=4 7025 B10R1.18 CC(C)NC1CCOCC1 2230a_100000741149_100000210206 [0,0,0,1,0,0|3,0,0]=4 7026 B10R1.18 CC(C)NC1CCOCC1 34a_100000741149_100000210206 [0,0,0,1,0,0|3,0,0]=4 7027 B10R1.18 CC(C)NC1CCSCC1 2230a_100000748639_100000210206 [0,0,0,1,0,0|3,0,0]=4 7028 B10R1.18 CC(C)NC1CCSCC1 34a_100000748639_100000210206 [0,0,0,1,0,0|3,0,0]=4 7029 B10R1.18 CC(C)NC1CCSCC1 34a_100138425928_100000069128 [0,0,0,1,0,0|3,0,0]=4 7030 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,0,0,1,0,0|2,0,0]=3 7031 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,0,0,1,0,0|2,0,0]=3 7032 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,0,0,1,0,0|2,0,0]=3 7033 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [0,0,0,1,0,0|3,0,0]=4 7034 B10R1.18 CC(C)OC1CCCOC1 34a_100000212225_100000693364 [0,0,0,1,0,0|3,0,0]=4 7035 B10R1.18 CC(C)OC1CCCOC1 34a_100000754041_100000210206 [0,0,0,1,0,0|3,0,0]=4 7036 B10R1.18 CC(C)OC1CCCSC1 7a_100015962668_100000210206 [0,0,0,1,0,0|3,0,0]=4 7037 B10R1.18 CC(C)OC1CCOCC1 34a_100000744328_100000210206 [0,0,0,1,0,0|3,0,0]=4 7038 B10R1.18 CC(C)OC1CCSCC1 34a_100000212225_100000069128 [0,0,0,1,0,0|3,0,0]=4 7039 B10R1.18 CC(C)OC1CCSCC1 34a_100000731022_100000210206 [0,0,0,1,0,0|3,0,0]=4 7040 B10R1.18 CC(C)OC1CCSCC1 7a_100000731022_100000210206 [0,0,0,1,0,0|3,0,0]=4 7041 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,0,0,1,0,0|2,0,0]=3 7042 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,0,0,1,0,0|2,0,0]=3 7043 B10R1.18 CC(C)SC1CCCOC1 62a_100000210206_100000693364 [0,0,0,1,0,0|3,0,0]=4 7044 B10R1.18 CC(C)SC1CCOCC1 62a_100000210206_100011324220 [0,0,0,1,0,0|3,0,0]=4 7045 B10R1.18 CC(C)SC1CCSCC1 62a_100000210206_100000069128 [0,0,0,1,0,0|3,0,0]=4 7046 B10R1.18 CC(O)CN1CC=CCC1 2230a_100000698166_100011218427 [0,0,0,1,0,0|1,0,2]=4 7047 B10R1.18 CC(O)CN1CC=CCC1 269982a_100000698166_100011218427 [0,0,0,1,0,0|1,0,2]=4 7048 B10R1.18 CC(O)CN1CC=CCC1 34a_100000698166_100011218427 [0,0,0,1,0,0|1,0,2]=4 7049 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [0,0,0,1,0,0|2,0,0]=3 7050 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [0,0,0,1,0,0|2,0,0]=3 7051 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [0,0,0,1,0,0|2,0,0]=3 7052 B10R1.18 CC(O)CN1CCOCC1 2230a_100015191051_100011218427 [0,0,0,1,0,0|2,0,0]=3 7053 B10R1.18 CC(O)CN1CCOCC1 269982a_100015191051_100011218427 [0,0,0,1,0,0|2,0,0]=3 7054 B10R1.18 CC(O)CN1CCOCC1 34a_100015191051_100011218427 [0,0,0,1,0,0|2,0,0]=3 7055 B10R1.18 CC(O)CN1CCSCC1 2230a_100000737611_100011218427 [0,0,0,1,0,0|2,0,0]=3 7056 B10R1.18 CC(O)CN1CCSCC1 269982a_100000737611_100011218427 [0,0,0,1,0,0|2,0,0]=3 7057 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,0,0,1,0,0|2,0,0]=3 7058 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,0,0,1,0,0|2,0,0]=3 7059 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,0,0,1,0,0|2,0,0]=3 7060 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,0,0,1,0,0|2,0,0]=3 7061 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,0,0,1,0,0|2,0,0]=3 7062 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [0,0,0,1,0,0|3,0,0]=4 7063 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [0,0,0,1,0,0|3,0,0]=4 7064 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [0,0,0,1,0,0|3,0,0]=4 7065 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [0,0,0,1,0,0|3,0,0]=4 7066 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [0,0,0,1,0,0|3,0,0]=4 7067 B10R1.18 CN(C)CC1CCCOC1 2230a_100102631434_100000741521 [0,0,0,1,0,0|3,0,0]=4 7068 B10R1.18 CN(C)CC1CCCOC1 269982a_100102631434_100000741521 [0,0,0,1,0,0|3,0,0]=4 7069 B10R1.18 CN(C)CC1CCOCC1 2230a_100025706683_200000210301 [0,0,0,1,0,0|3,0,0]=4 7070 B10R1.18 CN(C)CC1CCOCC1 2230a_100102631434_100000754603 [0,0,0,1,0,0|3,0,0]=4 7071 B10R1.18 CN(C)CC1CCOCC1 269982a_100025706683_200000210301 [0,0,0,1,0,0|3,0,0]=4 7072 B10R1.18 CN(C)CC1CCOCC1 269982a_100102631434_100000754603 [0,0,0,1,0,0|3,0,0]=4 7073 B10R1.18 CN(C)CC1CCOCC1 34a_100025706683_200000210301 [0,0,0,1,0,0|3,0,0]=4 7074 B10R1.18 CN(C)CC1CCSCC1 2230a_100011935259_200000210301 [0,0,0,1,0,0|3,0,0]=4 7075 B10R1.18 CN(C)CC1CCSCC1 269982a_100011935259_200000210301 [0,0,0,1,0,0|3,0,0]=4 7076 B10R1.18 CN(C)CC1CCSCC1 270004a_100102631434_100000067145 [0,0,0,1,0,0|3,0,0]=4 7077 B10R1.18 CN(C)CC1CCSCC1 34a_100011935259_200000210301 [0,0,0,1,0,0|3,0,0]=4 7078 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,0,0,1,0,0|2,0,0]=3 7079 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,0,0,1,0,0|2,0,0]=3 7080 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,0,0,1,0,0|2,0,0]=3 7081 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [0,0,0,1,0,0|3,0,0]=4 7082 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [0,0,0,1,0,0|3,0,0]=4 7083 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [0,0,0,1,0,0|3,0,0]=4 7084 B10R1.18 CN([13CH3])CC1CCOCC1 2230a_100025706683_200025704644 [0,0,0,1,0,0|3,0,0]=4 7085 B10R1.18 CN([13CH3])CC1CCOCC1 269982a_100025706683_200025704644 [0,0,0,1,0,0|3,0,0]=4 7086 B10R1.18 CN([13CH3])CC1CCOCC1 34a_100025706683_200025704644 [0,0,0,1,0,0|3,0,0]=4 7087 B10R1.18 CN([13CH3])CC1CCSCC1 2230a_100011935259_200025704644 [0,0,0,1,0,0|3,0,0]=4 7088 B10R1.18 CN([13CH3])CC1CCSCC1 269982a_100011935259_200025704644 [0,0,0,1,0,0|3,0,0]=4 7089 B10R1.18 CN([13CH3])CC1CCSCC1 34a_100011935259_200025704644 [0,0,0,1,0,0|3,0,0]=4 7090 B10R1.18 C[C@@H](O)CN1CC=CCC1 2230a_100000698166_100009817552 [0,0,0,1,0,0|1,0,2]=4 7091 B10R1.18 C[C@@H](O)CN1CC=CCC1 269982a_100000698166_100009817552 [0,0,0,1,0,0|1,0,2]=4 7092 B10R1.18 C[C@@H](O)CN1CC=CCC1 34a_100000698166_100009817552 [0,0,0,1,0,0|1,0,2]=4 7093 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [0,0,0,1,0,0|2,0,0]=3 7094 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [0,0,0,1,0,0|2,0,0]=3 7095 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [0,0,0,1,0,0|2,0,0]=3 7096 B10R1.18 C[C@@H](O)CN1CCOCC1 2230a_100015191051_100009817552 [0,0,0,1,0,0|2,0,0]=3 7097 B10R1.18 C[C@@H](O)CN1CCOCC1 269982a_100015191051_100009817552 [0,0,0,1,0,0|2,0,0]=3 7098 B10R1.18 C[C@@H](O)CN1CCOCC1 34a_100015191051_100009817552 [0,0,0,1,0,0|2,0,0]=3 7099 B10R1.18 C[C@@H](O)CN1CCSCC1 2230a_100000737611_100009817552 [0,0,0,1,0,0|2,0,0]=3 7100 B10R1.18 C[C@@H](O)CN1CCSCC1 269982a_100000737611_100009817552 [0,0,0,1,0,0|2,0,0]=3 7101 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,0|0,0,2]=3 7102 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,0|1,0,2]=4 7103 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,0|1,0,2]=4 7104 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,1,0,0|1,0,2]=4 7105 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,1,0,0|1,0,2]=4 7106 B10R1.24 C#CCCCN1CC(C1)O 269982a_100000749847_100011215417 [0,0,0,1,0,0|1,0,2]=4 7107 B10R1.24 C#CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000688953 [0,0,0,1,0,0|1,0,2]=4 7108 B10R1.24 C#CCNCC1CC(C1)O 2230a_100016992100_100000038162 [0,0,0,1,0,0|1,0,2]=4 7109 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,0,0,1,0,0|2,0,1]=4 7110 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,0,0,1,0,0|2,0,1]=4 7111 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,0,0,1,0,0|2,0,1]=4 7112 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,0,0,1,0,0|2,0,1]=4 7113 B10R1.24 C=CCCCN1CC(C1)O 269982a_100000749847_100000757094 [0,0,0,1,0,0|1,0,2]=4 7114 B10R1.24 C=CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000754431 [0,0,0,1,0,0|1,0,2]=4 7115 B10R1.24 C=CCNCC1CC(C1)O 2230a_100016992100_100000210623 [0,0,0,1,0,0|1,0,2]=4 7116 B10R1.24 CC#CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748600 [0,0,0,1,0,0|1,0,2]=4 7117 B10R1.24 CC/C=C\CN1CC(C1)O 269982a_100000749847_100103147603 [0,0,0,1,0,0|1,0,2]=4 7118 B10R1.24 CC1CN(C1)CCCCF 2230a_100000702820_100000729493 [0,0,0,1,0,0|3,0,0]=4 7119 B10R1.24 CC1CN(C1)CCCCF 269982a_100000702820_100000729493 [0,0,0,1,0,0|3,0,0]=4 7120 B10R1.24 CC1CN(C1)CCCCF 34a_100000702820_100000729493 [0,0,0,1,0,0|3,0,0]=4 7121 B10R1.24 CC1CN(C1)CCCCO 2230a_100000702820_100000210776 [0,0,0,1,0,0|3,0,0]=4 7122 B10R1.24 CC1CN(C1)CCCCO 269982a_100000702820_100000210776 [0,0,0,1,0,0|3,0,0]=4 7123 B10R1.24 CC1CN(C1)CCCCO 34a_100000702820_100011216708 [0,0,0,1,0,0|3,0,0]=4 7124 B10R1.24 CC=CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000070051 [0,0,0,1,0,0|1,0,2]=4 7125 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,0,0,1,0,0|2,0,0]=3 7126 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,0,0,1,0,0|2,0,0]=3 7127 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,0,0,1,0,0|2,0,0]=3 7128 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [0,0,0,1,0,0|2,0,0]=3 7129 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [0,0,0,1,0,0|2,0,0]=3 7130 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [0,0,0,1,0,0|2,0,0]=3 7131 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,0,0,1,0,0|1,0,0]=2 7132 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [0,0,0,1,0,0|2,0,0]=3 7133 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,0,0,1,0,0|1,0,0]=2 7134 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,0,0,1,0,0|1,0,2]=4 7135 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,0,0,1,0,0|1,0,0]=2 7136 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,0,1,0,0|1,0,2]=4 7137 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [0,0,0,1,0,0|2,0,0]=3 7138 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,0,1,0,0|1,0,2]=4 7139 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,0,1,0,0|1,0,2]=4 7140 B10R1.24 CCOCCN1CC(C1)C 2230a_100000702820_100011215890 [0,0,0,1,0,0|3,0,0]=4 7141 B10R1.24 CCOCCN1CC(C1)C 269982a_100000702820_100011215890 [0,0,0,1,0,0|3,0,0]=4 7142 B10R1.24 CCOCCN1CC(C1)C 34a_100000702820_100000210147 [0,0,0,1,0,0|3,0,0]=4 7143 B10R1.24 CCOCCN1CC(C1)F 2230a_100000690557_100011215890 [0,0,0,1,0,0|3,0,0]=4 7144 B10R1.24 CCOCCN1CC(C1)F 269982a_100000690557_100011215890 [0,0,0,1,0,0|3,0,0]=4 7145 B10R1.24 CCOCCN1CC(C1)F 34a_100000690557_100000210147 [0,0,0,1,0,0|3,0,0]=4 7146 B10R1.24 CCOCCN1CC(C1)O 269982a_100000749847_100011215890 [0,0,0,1,0,0|2,0,0]=3 7147 B10R1.24 CCSCCN1CC(C1)C 2230a_100000702820_100000757381 [0,0,0,1,0,0|3,0,0]=4 7148 B10R1.24 CCSCCN1CC(C1)C 269982a_100000702820_100000757381 [0,0,0,1,0,0|3,0,0]=4 7149 B10R1.24 CCSCCN1CC(C1)C 34a_100000702820_100000757381 [0,0,0,1,0,0|3,0,0]=4 7150 B10R1.24 CCSCCN1CC(C1)F 2230a_100000690557_100000757381 [0,0,0,1,0,0|3,0,0]=4 7151 B10R1.24 CCSCCN1CC(C1)F 269982a_100000690557_100000757381 [0,0,0,1,0,0|3,0,0]=4 7152 B10R1.24 CCSCCN1CC(C1)F 34a_100000690557_100000757381 [0,0,0,1,0,0|3,0,0]=4 7153 B10R1.24 CCSCCN1CC(C1)O 269982a_100000749847_100000757381 [0,0,0,1,0,0|2,0,0]=3 7154 B10R1.24 COCCCN1CC(C1)C 2230a_100000702820_100000740836 [0,0,0,1,0,0|3,0,0]=4 7155 B10R1.24 COCCCN1CC(C1)C 269982a_100000702820_100000740836 [0,0,0,1,0,0|3,0,0]=4 7156 B10R1.24 COCCCN1CC(C1)C 34a_100000702820_100000740836 [0,0,0,1,0,0|3,0,0]=4 7157 B10R1.24 COCCCN1CC(C1)F 2230a_100000690557_100000740836 [0,0,0,1,0,0|3,0,0]=4 7158 B10R1.24 COCCCN1CC(C1)F 269982a_100000690557_100000740836 [0,0,0,1,0,0|3,0,0]=4 7159 B10R1.24 COCCCN1CC(C1)F 34a_100000690557_100000740836 [0,0,0,1,0,0|3,0,0]=4 7160 B10R1.24 COCCCN1CC(C1)O 269982a_100000749847_100000740836 [0,0,0,1,0,0|2,0,0]=3 7161 B10R1.24 COCCNC1CC(C1)F 2230a_100016993743_100011201679 [0,0,0,1,0,0|3,0,0]=4 7162 B10R1.24 COCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011201679 [0,0,0,1,0,0|2,0,0]=3 7163 B10R1.24 COCNCC1CC(C1)O 2230a_100016992100_100000766300 [0,0,0,1,0,0|2,0,0]=3 7164 B10R1.24 CSCCNC1CC(C1)F 2230a_100016993743_100000751147 [0,0,0,1,0,0|3,0,0]=4 7165 B10R1.24 CSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000751147 [0,0,0,1,0,0|2,0,0]=3 7166 B10R1.24 CSCNCC1CC(C1)O 2230a_100016992100_100011218213 [0,0,0,1,0,0|2,0,0]=3 7167 B10R1.24 CSCOCC1CC(C1)Cl 34a_100009874164_100011218213 [0,0,0,1,0,0|3,0,0]=4 7168 B10R1.24 FCCCCN1CC(C1)F 2230a_100000690557_100000729493 [0,0,0,1,0,0|3,0,0]=4 7169 B10R1.24 FCCCCN1CC(C1)F 269982a_100000690557_100000729493 [0,0,0,1,0,0|3,0,0]=4 7170 B10R1.24 FCCCCN1CC(C1)F 34a_100000690557_100000729493 [0,0,0,1,0,0|3,0,0]=4 7171 B10R1.24 FCCCNC1CC(C1)F 2230a_100016993743_100011934791 [0,0,0,1,0,0|3,0,0]=4 7172 B10R1.24 FCCOCC1CC(C1)Cl 34a_100009874164_100011217306 [0,0,0,1,0,0|3,0,0]=4 7173 B10R1.24 N#CCCCN1CC(C1)O 269982a_100000749847_100000687738 [0,0,0,1,0,0|2,0,1]=4 7174 B10R1.24 N#CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215226 [0,0,0,1,0,0|2,0,1]=4 7175 B10R1.24 N#CCNCC1CC(C1)O 2230a_100016992100_100011215382 [0,0,0,1,0,0|2,0,1]=4 7176 B10R1.24 O=CCCCN1CC(C1)O 269982a_100000749847_200011292268 [0,0,0,1,0,0|2,0,1]=4 7177 B10R1.24 O=CCNCC1CC(C1)O 2230a_100016992100_200015260668 [0,0,0,1,0,0|2,0,1]=4 7178 B10R1.24 OC1CC(C1)CNCCF 2230a_100016992100_100011217306 [0,0,0,1,0,0|2,0,0]=3 7179 B10R1.24 OC1CN(C1)CCCCF 269982a_100000749847_100000729493 [0,0,0,1,0,0|2,0,0]=3 7180 B10R1.24 OCCCCN1CC(C1)F 2230a_100000690557_100000210776 [0,0,0,1,0,0|3,0,0]=4 7181 B10R1.24 OCCCCN1CC(C1)F 269982a_100000690557_100000210776 [0,0,0,1,0,0|3,0,0]=4 7182 B10R1.24 OCCCCN1CC(C1)F 34a_100000690557_100011216708 [0,0,0,1,0,0|3,0,0]=4 7183 B10R1.24 OCCCCN1CC(C1)O 269982a_100000749847_100000210776 [0,0,0,1,0,0|2,0,0]=3 7184 B10R1.24 OCCCNC1CC(C1)F 2230a_100016993743_100000230001 [0,0,0,1,0,0|3,0,0]=4 7185 B10R1.24 OCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000230001 [0,0,0,1,0,0|2,0,0]=3 7186 B10R1.24 OCCNCC1CC(C1)O 2230a_100016992100_100000211926 [0,0,0,1,0,0|2,0,0]=3 7187 B10R1.24 OCCOCC1CC(C1)Cl 34a_100009874164_100000211926 [0,0,0,1,0,0|3,0,0]=4 7188 B10R1.24 O[C@H]1C[C@@H](C1)NCCCF 2230a_100020629032_100011934791 [0,0,0,1,0,0|2,0,0]=3 7189 B10R1.38 CC1(CNCCC1O[13CH3])C 34a_100000709803_200025704644 [0,0,0,1,0,0|3,0,0]=4 7190 B10R1.38 CCN1CCOCC1(C)C 2230a_100000724681_100000210202 [0,0,0,1,0,0|3,0,0]=4 7191 B10R1.38 CCN1CCOCC1(C)C 269982a_100000724681_100000204670 [0,0,0,1,0,0|3,0,0]=4 7192 B10R1.38 CCN1CCOCC1(C)C 34a_100000724681_100000210202 [0,0,0,1,0,0|3,0,0]=4 7193 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [0,0,0,1,0,0|2,0,0]=3 7194 B10R1.38 CNC1CCCCC1(F)F 2230a_100000686509_200000210301 [0,0,0,1,0,0|3,0,0]=4 7195 B10R1.38 CNC1CCCCC1(F)F 34a_100000686509_200000210301 [0,0,0,1,0,0|3,0,0]=4 7196 B10R1.38 CNC1CCCCC1(F)F 34a_100102657272_200009832135 [0,0,0,1,0,0|3,0,0]=4 7197 B10R1.38 CNC1CCNCC1(C)C 269862a_106832991636_100015191249 [0,0,0,1,0,0|3,0,0]=4 7198 B10R1.38 COC1CCCCC1(F)F 34a_100138415774_200009832135 [0,0,0,1,0,0|3,0,0]=4 7199 B10R1.38 COC1CCNCC1(C)C 34a_100000709803_200000210301 [0,0,0,1,0,0|3,0,0]=4 7200 B10R1.38 CSC1CCCCC1(F)F 62a_200000210301_200009832135 [0,0,0,1,0,0|3,0,0]=4 7201 B10R1.38 CSC1CCCCC1(F)F 62a_200009832135_200000210301 [0,0,0,1,0,0|3,0,0]=4 7202 B10R1.38 [13CH3]NC1CCCCC1(F)F 2230a_100000686509_200025704644 [0,0,0,1,0,0|3,0,0]=4 7203 B10R1.38 [13CH3]NC1CCCCC1(F)F 34a_100000686509_200025704644 [0,0,0,1,0,0|3,0,0]=4 7204 B10R1.38 [13CH3]SC1CCCCC1(F)F 62a_200009832135_200025704644 [0,0,0,1,0,0|3,0,0]=4 7205 B10R1.38 [13CH3]SC1CCCCC1(F)F 62a_200025704644_200009832135 [0,0,0,1,0,0|3,0,0]=4 7206 B10R1.39 CC(C)C1CCCN1CF 269982a_100000762757_100015361967 [0,0,0,1,0,0|3,0,0]=4 7207 B10R1.39 CC(C)C1CCCN1CF 34a_100000762757_100015361967 [0,0,0,1,0,0|3,0,0]=4 7208 B10R1.39 CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000210206 [0,0,0,1,0,0|3,0,0]=4 7209 B10R1.39 CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000210206 [0,0,0,1,0,0|3,0,0]=4 7210 B10R1.39 CC(C)N1CCC[C@@H]1CO 34a_100000745186_100000210206 [0,0,0,1,0,0|3,0,0]=4 7211 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,0,0,1,0,0|2,0,0]=3 7212 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 7213 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 7214 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 7215 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|1,0,2]=4 7216 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [0,0,0,1,0,0|2,0,0]=3 7217 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [0,0,0,1,0,0|2,0,0]=3 7218 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [0,0,0,1,0,0|2,0,0]=3 7219 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,1,0,0|1,0,2]=4 7220 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,1,0,0|1,0,2]=4 7221 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [0,0,0,1,0,0|2,0,0]=3 7222 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [0,0,0,1,0,0|2,0,0]=3 7223 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [0,0,0,1,0,0|2,0,0]=3 7224 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,0,1,0,0|2,0,1]=4 7225 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,0,0,1,0,0|3,0,0]=4 7226 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,0,0,1,0,0|3,0,0]=4 7227 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,0,0,1,0,0|3,0,0]=4 7228 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,0,0,1,0,0|3,0,0]=4 7229 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,0,0,1,0,0|2,0,0]=3 7230 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,0,0,1,0,0|2,0,0]=3 7231 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,0,0,1,0,0|2,0,0]=3 7232 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|2,0,0]=3 7233 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|2,0,0]=3 7234 B10R1.56 CCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215890 [0,0,0,1,0,0|3,0,0]=4 7235 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215890 [0,0,0,1,0,0|3,0,0]=4 7236 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210147 [0,0,0,1,0,0|3,0,0]=4 7237 B10R1.56 CCSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000757381 [0,0,0,1,0,0|3,0,0]=4 7238 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000757381 [0,0,0,1,0,0|3,0,0]=4 7239 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757381 [0,0,0,1,0,0|3,0,0]=4 7240 B10R1.56 COCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000740836 [0,0,0,1,0,0|3,0,0]=4 7241 B10R1.56 COCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000740836 [0,0,0,1,0,0|3,0,0]=4 7242 B10R1.56 COCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000740836 [0,0,0,1,0,0|3,0,0]=4 7243 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,0,0,1,0,0|3,0,0]=4 7244 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,0,0,1,0,0|3,0,0]=4 7245 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,0,0,1,0,0|3,0,0]=4 7246 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,0,0,1,0,0|3,0,0]=4 7247 B10R1.56 FCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729493 [0,0,0,1,0,0|3,0,0]=4 7248 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729493 [0,0,0,1,0,0|3,0,0]=4 7249 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729493 [0,0,0,1,0,0|3,0,0]=4 7250 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [0,0,0,1,0,0|3,0,0]=4 7251 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [0,0,0,1,0,0|3,0,0]=4 7252 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [0,0,0,1,0,0|3,0,0]=4 7253 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|0,0,2]=3 7254 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,0|1,0,2]=4 7255 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 7256 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 7257 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 7258 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|1,0,2]=4 7259 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,0,1,0,0|1,0,2]=4 7260 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [0,0,0,1,0,0|2,0,0]=3 7261 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [0,0,0,1,0,0|2,0,0]=3 7262 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [0,0,0,1,0,0|2,0,0]=3 7263 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [0,0,0,1,0,0|2,0,0]=3 7264 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [0,0,0,1,0,0|2,0,0]=3 7265 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [0,0,0,1,0,0|2,0,0]=3 7266 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [0,0,0,1,0,0|2,0,0]=3 7267 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [0,0,0,1,0,0|2,0,0]=3 7268 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [0,0,0,1,0,0|2,0,0]=3 7269 B10R1.61 CC(C)N1CCOC[C@@H]1C 2230a_100009815349_100000210206 [0,0,0,1,0,0|3,0,0]=4 7270 B10R1.61 CC(C)N1CCOC[C@@H]1C 269982a_100009815349_100000210206 [0,0,0,1,0,0|3,0,0]=4 7271 B10R1.61 CC(C)N1CCOC[C@@H]1C 34a_100009815349_100000210206 [0,0,0,1,0,0|3,0,0]=4 7272 B10R1.61 CC(C)[C@H]1COCCN1C 2230a_100025712635_200000210301 [0,0,0,1,0,0|3,0,0]=4 7273 B10R1.61 CC(C)[C@H]1COCCN1C 269982a_100025712635_200000210301 [0,0,0,1,0,0|3,0,0]=4 7274 B10R1.61 CC(C)[C@H]1COCCN1C 34a_100025712635_200000210301 [0,0,0,1,0,0|3,0,0]=4 7275 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 2230a_100025712635_200025704644 [0,0,0,1,0,0|3,0,0]=4 7276 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 269982a_100025712635_200025704644 [0,0,0,1,0,0|3,0,0]=4 7277 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 34a_100025712635_200025704644 [0,0,0,1,0,0|3,0,0]=4 7278 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|0,0,2]=3 7279 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,0,0,1,0,0|2,0,0]=3 7280 B10R1.61 CC1CNCCC1N(C)C 270004a_100102631434_100000703950 [0,0,0,1,0,0|3,0,0]=4 7281 B10R1.61 CC1COCCC1N(C)C 270004a_100102631434_100000755695 [0,0,0,1,0,0|3,0,0]=4 7282 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [0,0,0,1,0,0|3,0,0]=4 7283 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [0,0,0,1,0,0|3,0,0]=4 7284 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [0,0,0,1,0,0|3,0,0]=4 7285 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [0,0,0,1,0,0|3,0,0]=4 7286 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,0|2,0,1]=4 7287 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,0,1,0,0|1,0,2]=4 7288 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,0|1,0,2]=4 7289 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,0|2,0,1]=4 7290 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [0,0,0,1,0,0|2,0,1]=4 7291 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [0,0,0,1,0,0|2,0,1]=4 7292 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [0,0,0,1,0,0|2,0,1]=4 7293 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [0,0,0,1,0,0|2,0,1]=4 7294 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [0,0,0,1,0,0|2,0,1]=4 7295 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,0,0,1,0,0|2,0,0]=3 7296 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,0,0,1,0,0|2,0,0]=3 7297 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,0,0,1,0,0|2,0,0]=3 7298 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,0,0,1,0,0|2,0,0]=3 7299 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,0,0,1,0,0|2,0,0]=3 7300 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,0,0,1,0,0|2,0,0]=3 7301 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [0,0,0,1,0,0|2,0,0]=3 7302 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [0,0,0,1,0,0|2,0,0]=3 7303 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [0,0,0,1,0,0|2,0,0]=3 7304 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [0,0,0,1,0,0|2,0,0]=3 7305 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [0,0,0,1,0,0|2,0,0]=3 7306 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [0,0,0,1,0,0|2,0,0]=3 7307 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [0,0,0,1,0,0|2,0,0]=3 7308 B10R1.64 CC(C)CN1CCSC1C 2230a_200011216479_100000210760 [0,0,0,1,0,0|3,0,0]=4 7309 B10R1.64 CC(C)CN1CCSC1C 269982a_200011216479_100000210624 [0,0,0,1,0,0|3,0,0]=4 7310 B10R1.64 CC(C)CN1CCSC1C 270004a_200011216479_100000210432 [0,0,0,1,0,0|3,0,0]=4 7311 B10R1.64 CC(C)CN1CCSC1C 34a_200011216479_100000210624 [0,0,0,1,0,0|3,0,0]=4 7312 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [0,0,0,1,0,0|2,0,0]=3 7313 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [0,0,0,1,0,0|2,0,0]=3 7314 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210206 [0,0,0,1,0,0|3,0,0]=4 7315 B10R1.64 CC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000210206 [0,0,0,1,0,0|3,0,0]=4 7316 B10R1.64 CC(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100000210206 [0,0,0,1,0,0|3,0,0]=4 7317 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_100000210206_200016002552 [0,0,0,1,0,0|3,0,0]=4 7318 B10R1.64 CC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000210206 [0,0,0,1,0,0|3,0,0]=4 7319 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,0,0,1,0,0|1,0,0]=2 7320 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,0,0,1,0,0|1,0,0]=2 7321 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,0,0,1,0,0|1,0,0]=2 7322 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,0,0,1,0,0|1,0,0]=2 7323 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,0,0,1,0,0|1,0,0]=2 7324 B10R1.64 CC(O)CN1CCSC1C 2230a_200011216479_100011218427 [0,0,0,1,0,0|2,0,0]=3 7325 B10R1.64 CC(O)CN1CCSC1C 269982a_200011216479_100011218427 [0,0,0,1,0,0|2,0,0]=3 7326 B10R1.64 CC(O)CN1CCSC1C 34a_200011216479_100011218427 [0,0,0,1,0,0|2,0,0]=3 7327 B10R1.64 CC1SCCN1C[C@@H](C)O 2230a_200011216479_100009817552 [0,0,0,1,0,0|2,0,0]=3 7328 B10R1.64 CC1SCCN1C[C@@H](C)O 269982a_200011216479_100009817552 [0,0,0,1,0,0|2,0,0]=3 7329 B10R1.64 CC1SCCN1C[C@@H](C)O 34a_200011216479_100009817552 [0,0,0,1,0,0|2,0,0]=3 7330 B10R1.64 CN(C)C[C@H]1CCCN1C 269982a_200020645772_200000210301 [0,0,0,1,0,0|3,0,0]=4 7331 B10R1.64 CN(C)C[C@H]1CCCN1[13CH3] 269982a_200020645772_200025704644 [0,0,0,1,0,0|3,0,0]=4 7332 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,0,0,1,0,0|1,0,0]=2 7333 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,0,0,1,0,0|1,0,0]=2 7334 B10R1.64 C[C@@H]1CCCN1CC(F)F 2230a_100015189458_100011934356 [0,0,0,1,0,0|3,0,0]=4 7335 B10R1.64 C[C@@H]1CCCN1CC(F)F 269982a_100015189458_100011934356 [0,0,0,1,0,0|3,0,0]=4 7336 B10R1.64 C[C@@H]1CCCN1CC(F)F 34a_100015189458_100011934356 [0,0,0,1,0,0|3,0,0]=4 7337 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,0,0,1,0,0|1,0,0]=2 7338 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,0,0,1,0,0|1,0,0]=2 7339 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,0,0,1,0,0|1,0,0]=2 7340 B10R1.64 C[C@H]1CCCN1CC(F)F 2230a_100020605311_100011934356 [0,0,0,1,0,0|3,0,0]=4 7341 B10R1.64 C[C@H]1CCCN1CC(F)F 269982a_100020605311_100011934356 [0,0,0,1,0,0|3,0,0]=4 7342 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,0,0,1,0,0|2,0,1]=4 7343 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,0,0,1,0,0|2,0,1]=4 7344 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,0,0,1,0,0|2,0,1]=4 7345 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,0,0,1,0,0|2,0,1]=4 7346 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,0,0,1,0,0|2,0,1]=4 7347 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,0,0,1,0,0|2,0,1]=4 7348 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,0,0,1,0,0|2,0,1]=4 7349 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,0,0,1,0,0|2,0,1]=4 7350 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,0,0,1,0,0|2,0,1]=4 7351 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|0,0,2]=3 7352 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|0,0,2]=3 7353 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,0|1,0,2]=4 7354 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,1,0,0|1,0,2]=4 7355 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,1,0,0|1,0,2]=4 7356 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,1,0,0|1,0,2]=4 7357 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,1,0,0|1,0,2]=4 7358 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,1,0,0|1,0,2]=4 7359 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 7360 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 7361 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 7362 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,0|1,0,2]=4 7363 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [0,0,0,1,0,0|2,0,0]=3 7364 B10R1.66 CC(Br)COC1CCOC1 34a_100012180447_100000690089 [0,0,0,1,0,0|3,0,0]=4 7365 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [0,0,0,1,0,0|2,0,0]=3 7366 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [0,0,0,1,0,0|2,0,0]=3 7367 B10R1.66 CC(C)CCN1CCSC1 2230a_100011215254_100000210312 [0,0,0,1,0,0|3,0,0]=4 7368 B10R1.66 CC(C)CCN1CCSC1 269982a_100011215254_100000210312 [0,0,0,1,0,0|3,0,0]=4 7369 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [0,0,0,1,0,0|2,0,0]=3 7370 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [0,0,0,1,0,0|2,0,0]=3 7371 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [0,0,0,1,0,0|2,0,0]=3 7372 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [0,0,0,1,0,0|2,0,0]=3 7373 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [0,0,0,1,0,0|2,0,0]=3 7374 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [0,0,0,1,0,0|2,0,0]=3 7375 B10R1.66 CC(C)CNC1CCOC1 2230a_100000210953_100000731011 [0,0,0,1,0,0|3,0,0]=4 7376 B10R1.66 CC(C)CNC1CCOC1 270004a_100000210953_100000752484 [0,0,0,1,0,0|3,0,0]=4 7377 B10R1.66 CC(C)CNC1CCOC1 34a_100000210953_100000690089 [0,0,0,1,0,0|3,0,0]=4 7378 B10R1.66 CC(C)CNC1CCSC1 270004a_100000210953_100000212027 [0,0,0,1,0,0|3,0,0]=4 7379 B10R1.66 CC(C)CN[C@@H]1CCOC1 2230a_200015188469_100000210760 [0,0,0,1,0,0|3,0,0]=4 7380 B10R1.66 CC(C)CN[C@@H]1CCOC1 270004a_200015188469_100000210432 [0,0,0,1,0,0|3,0,0]=4 7381 B10R1.66 CC(C)CN[C@H]1CCOC1 2230a_100015188467_100000210760 [0,0,0,1,0,0|3,0,0]=4 7382 B10R1.66 CC(C)CN[C@H]1CCOC1 270004a_100015188467_100000210432 [0,0,0,1,0,0|3,0,0]=4 7383 B10R1.66 CC(C)CN[C@H]1CCOC1 34a_100015188467_100000210624 [0,0,0,1,0,0|3,0,0]=4 7384 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [0,0,0,1,0,0|2,0,0]=3 7385 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [0,0,0,1,0,0|2,0,0]=3 7386 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [0,0,0,1,0,0|2,0,0]=3 7387 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,0,0,1,0,0|3,0,0]=4 7388 B10R1.66 CC(C)COC1CCOC1 34a_100000210257_100000690089 [0,0,0,1,0,0|3,0,0]=4 7389 B10R1.66 CC(C)COC1CCSC1 7a_100011232664_100000210760 [0,0,0,1,0,0|3,0,0]=4 7390 B10R1.66 CC(C)CO[C@H]1CCOC1 34a_100000717292_100000210624 [0,0,0,1,0,0|3,0,0]=4 7391 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [0,0,0,1,0,0|2,0,0]=3 7392 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [0,0,0,1,0,0|2,0,0]=3 7393 B10R1.66 CC(C)CSC1CCOC1 62a_100000210624_100000690089 [0,0,0,1,0,0|3,0,0]=4 7394 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [0,0,0,1,0,0|2,0,0]=3 7395 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [0,0,0,1,0,0|2,0,0]=3 7396 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [0,0,0,1,0,0|2,0,0]=3 7397 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [0,0,0,1,0,0|2,0,0]=3 7398 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [0,0,0,1,0,0|3,0,0]=4 7399 B10R1.66 CC(C)NCC1CCOC1 2230a_100000737293_100000210206 [0,0,0,1,0,0|3,0,0]=4 7400 B10R1.66 CC(C)NCC1CCOC1 2230a_100138425928_100000702531 [0,0,0,1,0,0|3,0,0]=4 7401 B10R1.66 CC(C)NCC1CCOC1 34a_100000737293_100000210206 [0,0,0,1,0,0|3,0,0]=4 7402 B10R1.66 CC(C)NCC1CCOC1 34a_100138425928_100011261433 [0,0,0,1,0,0|3,0,0]=4 7403 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [0,0,0,1,0,0|3,0,0]=4 7404 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [0,0,0,1,0,0|3,0,0]=4 7405 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [0,0,0,1,0,0|2,0,0]=3 7406 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [0,0,0,1,0,0|2,0,0]=3 7407 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [0,0,0,1,0,0|2,0,0]=3 7408 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [0,0,0,1,0,0|3,0,0]=4 7409 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [0,0,0,1,0,0|3,0,0]=4 7410 B10R1.66 CC(C)OCC1CCNC1 34a_100000748654_100000210206 [0,0,0,1,0,0|3,0,0]=4 7411 B10R1.66 CC(C)OCC1CCOC1 34a_100000212225_100011261433 [0,0,0,1,0,0|3,0,0]=4 7412 B10R1.66 CC(C)OCC1CCOC1 34a_100000740260_100000210206 [0,0,0,1,0,0|3,0,0]=4 7413 B10R1.66 CC(C)OCN1CCCC1 2230a_100000188435_100000709892 [0,0,0,1,0,0|3,0,0]=4 7414 B10R1.66 CC(C)OCN1CCCC1 269982a_100000188435_100000709892 [0,0,0,1,0,0|3,0,0]=4 7415 B10R1.66 CC(C)OC[C@H]1CCCN1 34a_100000745186_100000210206 [0,0,0,1,0,0|3,0,0]=4 7416 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [0,0,0,1,0,0|2,0,0]=3 7417 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [0,0,0,1,0,0|2,0,0]=3 7418 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,0,0,1,0,0|3,0,0]=4 7419 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,0,0,1,0,0|3,0,0]=4 7420 B10R1.66 CC(C)SCC1CCOC1 62a_100000210206_100000702531 [0,0,0,1,0,0|3,0,0]=4 7421 B10R1.66 CC(C)SCC1CCOC1 62a_100000702531_100000210206 [0,0,0,1,0,0|3,0,0]=4 7422 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [0,0,0,1,0,0|2,0,0]=3 7423 B10R1.66 CC(F)COC1CCOC1 34a_100015925927_100000690089 [0,0,0,1,0,0|3,0,0]=4 7424 B10R1.66 CC(O)CCN1CC=CC1 269982a_100015195280_100012276601 [0,0,0,1,0,0|1,0,2]=4 7425 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,0,0,1,0,0|1,0,0]=2 7426 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,0,0,1,0,0|1,0,0]=2 7427 B10R1.66 CC(O)CCN1CCSC1 2230a_100011215254_100012276601 [0,0,0,1,0,0|2,0,0]=3 7428 B10R1.66 CC(O)CCN1CCSC1 269982a_100011215254_100012276601 [0,0,0,1,0,0|2,0,0]=3 7429 B10R1.66 CC(O)CNC1CC=CC1 2230a_100015188752_100011218427 [0,0,0,1,0,0|1,0,2]=4 7430 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,0,0,1,0,0|1,0,0]=2 7431 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,0,0,1,0,0|1,0,0]=2 7432 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,0,0,1,0,0|1,0,0]=2 7433 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,0,0,1,0,0|1,0,0]=2 7434 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,0,0,1,0,0|1,0,0]=2 7435 B10R1.66 CC(O)CNC1CCOC1 2230a_100000210904_100000731011 [0,0,0,1,0,0|2,0,0]=3 7436 B10R1.66 CC(O)CNC1CCOC1 270004a_100000210904_100000752484 [0,0,0,1,0,0|2,0,0]=3 7437 B10R1.66 CC(O)CNC1CCOC1 34a_100000210904_100000690089 [0,0,0,1,0,0|2,0,0]=3 7438 B10R1.66 CC(O)CNC1CCSC1 270004a_100000210904_100000212027 [0,0,0,1,0,0|2,0,0]=3 7439 B10R1.66 CC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218427 [0,0,0,1,0,0|2,0,0]=3 7440 B10R1.66 CC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218427 [0,0,0,1,0,0|2,0,0]=3 7441 B10R1.66 CC(O)CN[C@H]1CCOC1 34a_100015188467_100011218427 [0,0,0,1,0,0|2,0,0]=3 7442 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,0,0,1,0,0|1,0,0]=2 7443 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,0,0,1,0,0|1,0,0]=2 7444 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [0,0,0,1,0,0|2,0,0]=3 7445 B10R1.66 CC(O)COC1CCSC1 7a_100011232664_100011218427 [0,0,0,1,0,0|2,0,0]=3 7446 B10R1.66 CC(O)CO[C@H]1CCOC1 34a_100000717292_100011218427 [0,0,0,1,0,0|2,0,0]=3 7447 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,0,0,1,0,0|1,0,0]=2 7448 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,0,0,1,0,0|1,0,0]=2 7449 B10R1.66 CC(O)CSC1CCOC1 62a_100011218427_100000690089 [0,0,0,1,0,0|2,0,0]=3 7450 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,0,0,1,0,0|2,0,0]=3 7451 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,0,0,1,0,0|2,0,0]=3 7452 B10R1.66 CN(C)CCN1CCCC1 2230a_100000225677_200000210301 [0,0,0,1,0,0|3,0,0]=4 7453 B10R1.66 CN(C)CCN1CCCC1 269982a_100000188435_100000755713 [0,0,0,1,0,0|3,0,0]=4 7454 B10R1.66 CN(C)CCN1CCCC1 269982a_100000225677_200000210301 [0,0,0,1,0,0|3,0,0]=4 7455 B10R1.66 CN(C)CCN1CCCC1 269982a_100102631434_100000004467 [0,0,0,1,0,0|3,0,0]=4 7456 B10R1.66 CN([13CH3])CCN1CCCC1 2230a_100000225677_200025704644 [0,0,0,1,0,0|3,0,0]=4 7457 B10R1.66 CN([13CH3])CCN1CCCC1 269982a_100000225677_200025704644 [0,0,0,1,0,0|3,0,0]=4 7458 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [0,0,0,1,0,0|2,0,0]=3 7459 B10R1.66 C[C@@H](Cl)COC1CCOC1 34a_100016084084_100000690089 [0,0,0,1,0,0|3,0,0]=4 7460 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [0,0,0,1,0,0|2,0,0]=3 7461 B10R1.66 C[C@@H](N)COC1CCOC1 34a_100000737577_100000690089 [0,0,0,1,0,0|3,0,0]=4 7462 B10R1.66 C[C@@H](O)CNC1CC=CC1 2230a_100015188752_100009817552 [0,0,0,1,0,0|1,0,2]=4 7463 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,0,0,1,0,0|1,0,0]=2 7464 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,0,0,1,0,0|1,0,0]=2 7465 B10R1.66 C[C@@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009817552 [0,0,0,1,0,0|2,0,0]=3 7466 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009817552 [0,0,0,1,0,0|2,0,0]=3 7467 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 34a_100015188467_100009817552 [0,0,0,1,0,0|2,0,0]=3 7468 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,0,0,1,0,0|1,0,0]=2 7469 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,0,0,1,0,0|1,0,0]=2 7470 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [0,0,0,1,0,0|2,0,0]=3 7471 B10R1.66 C[C@@H](O)COC1CCSC1 7a_100011232664_100009817552 [0,0,0,1,0,0|2,0,0]=3 7472 B10R1.66 C[C@@H](O)CO[C@H]1CCOC1 34a_100000717292_100009817552 [0,0,0,1,0,0|2,0,0]=3 7473 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,0,0,1,0,0|1,0,0]=2 7474 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,0,0,1,0,0|1,0,0]=2 7475 B10R1.66 C[C@@H](O)CSC1CCOC1 62a_100009817552_100000690089 [0,0,0,1,0,0|2,0,0]=3 7476 B10R1.66 FC(F)CNC1CCCC1 2230a_100000211070_100011934356 [0,0,0,1,0,0|3,0,0]=4 7477 B10R1.66 FC(F)CNC1CCCC1 270004a_100000765723_100000210133 [0,0,0,1,0,0|3,0,0]=4 7478 B10R1.66 FC(F)CNC1CCCC1 34a_100000211070_100011934356 [0,0,0,1,0,0|3,0,0]=4 7479 B10R1.66 FC(F)CNC1CCCC1 34a_100000765723_100000179811 [0,0,0,1,0,0|3,0,0]=4 7480 B10R1.66 FC(F)COC1CCCC1 34a_100000210269_100011934356 [0,0,0,1,0,0|3,0,0]=4 7481 B10R1.66 FC(F)COC1CCCC1 34a_100000743014_100000179811 [0,0,0,1,0,0|3,0,0]=4 7482 B10R1.66 FC(F)COC1CCCC1 7a_100000210269_100011934356 [0,0,0,1,0,0|3,0,0]=4 7483 B10R1.66 FC(F)CSC1CCCC1 62a_100011217020_100011934356 [0,0,0,1,0,0|3,0,0]=4 7484 B10R1.66 FC(F)CSC1CCCC1 62a_100011934356_100000179811 [0,0,0,1,0,0|3,0,0]=4 7485 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,1,0,0|2,0,1]=4 7486 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|0,0,2]=3 7487 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,0|1,0,2]=4 7488 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,1,0,0|1,0,2]=4 7489 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,1,0,0|1,0,2]=4 7490 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,0,0,1,0,0|2,0,1]=4 7491 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,0,0,1,0,0|2,0,1]=4 7492 B10R1.73 CC(C)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210312 [0,0,0,1,0,0|3,0,0]=4 7493 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210312 [0,0,0,1,0,0|3,0,0]=4 7494 B10R1.73 CC(C)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210312 [0,0,0,1,0,0|3,0,0]=4 7495 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [0,0,0,1,0,0|2,0,0]=3 7496 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [0,0,0,1,0,0|2,0,0]=3 7497 B10R1.73 CC(O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012276601 [0,0,0,1,0,0|2,0,0]=3 7498 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100012276601 [0,0,0,1,0,0|2,0,0]=3 7499 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012276601 [0,0,0,1,0,0|2,0,0]=3 7500 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,0,0,1,0,0|1,0,0]=2 7501 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,0,0,1,0,0|1,0,0]=2 7502 B10R1.73 CC1CC1COCC(F)F 34a_100000744939_100011934356 [0,0,0,1,0,0|3,0,0]=4 7503 B10R1.73 CC1CC1COCC(F)F 7a_100000744939_100011934356 [0,0,0,1,0,0|3,0,0]=4 7504 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,0,0,1,0,0|1,0,0]=2 7505 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,0,0,1,0,0|1,0,0]=2 7506 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 7507 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 7508 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 7509 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 7510 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 7511 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 7512 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,0,0,1,0,0|2,0,1]=4 7513 B10R1.86 COCC1CCN1C(C)C 2230a_100015195929_100000210206 [0,0,0,1,0,0|3,0,0]=4 7514 B10R1.86 COCC1CCN1C(C)C 269982a_100015195929_100000210206 [0,0,0,1,0,0|3,0,0]=4 7515 B10R1.86 COCC1CCN1C(C)C 34a_100015195929_100000210206 [0,0,0,1,0,0|3,0,0]=4 7516 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [0,0,0,1,0,0|2,0,1]=4 7517 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [0,0,0,1,0,0|2,0,1]=4 7518 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,0,1,0,0|1,0,2]=4 7519 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [0,0,0,1,0,0|2,0,0]=3 7520 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [0,0,0,1,0,0|2,0,0]=3 7521 B10R1.117 CC(C)OCN1CCC1C 269982a_100000755817_100000709892 [0,0,0,1,0,0|3,0,0]=4 7522 B10R1.117 CC(C)OCN1CCC1C 34a_100000755817_100000709892 [0,0,0,1,0,0|3,0,0]=4 7523 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,0,0,1,0,0|1,0,0]=2 7524 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,0,0,1,0,0|1,0,0]=2 7525 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,0,0,1,0,0|2,0,1]=4 7526 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,0,0,1,0,0|2,0,1]=4 7527 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,0,0,1,0,0|2,0,1]=4 7528 B10R1.117 CC1CCN1CCN(C)C 269982a_100000755817_100000755713 [0,0,0,1,0,0|3,0,0]=4 7529 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,0,0,1,0,0|2,0,1]=4 7530 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,0,0,1,0,0|2,0,1]=4 7531 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,0,0,1,0,0|2,0,1]=4 7532 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,0,0,1,0,0|2,0,1]=4 7533 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,0,0,1,0,0|2,0,1]=4 7534 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,0,0,1,0,0|2,0,1]=4 7535 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,0,0,1,0,0|2,0,1]=4 7536 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,0,0,1,0,0|2,0,1]=4 7537 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,0,0,1,0,0|2,0,1]=4 7538 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,0,0,1,0,0|2,0,1]=4 7539 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,0,0,1,0,0|2,0,1]=4 7540 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,0,0,1,0,0|2,0,1]=4 7541 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,0,0,1,0,0|2,0,1]=4 7542 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,0,0,1,0,0|2,0,1]=4 7543 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,0|1,0,2]=4 7544 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,0|1,0,2]=4 7545 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,0|1,0,2]=4 7546 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,0,1,0,0|1,0,2]=4 7547 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,0,1,0,0|1,0,2]=4 7548 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,0,1,0,0|1,0,2]=4 7549 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,0,1,0,0|1,0,2]=4 7550 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,0,1,0,0|1,0,2]=4 7551 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [0,0,0,1,0,0|2,0,0]=3 7552 B10R1.126 CC(Br)CCOCC1CO1 34a_100009893172_102125554688 [0,0,0,1,0,0|3,0,0]=4 7553 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [0,0,0,1,0,0|2,0,0]=3 7554 B10R1.126 CC(Br)COCCC1CO1 34a_100012180447_100000732470 [0,0,0,1,0,0|3,0,0]=4 7555 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [0,0,0,1,0,0|2,0,0]=3 7556 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [0,0,0,1,0,0|2,0,0]=3 7557 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [0,0,0,1,0,0|2,0,0]=3 7558 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [0,0,0,1,0,0|2,0,0]=3 7559 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [0,0,0,1,0,0|2,0,0]=3 7560 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [0,0,0,1,0,0|2,0,0]=3 7561 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [0,0,0,1,0,0|2,0,0]=3 7562 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [0,0,0,1,0,0|2,0,0]=3 7563 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [0,0,0,1,0,0|2,0,0]=3 7564 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [0,0,0,1,0,0|2,0,0]=3 7565 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,0,0,1,0,0|3,0,0]=4 7566 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,0,0,1,0,0|3,0,0]=4 7567 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [0,0,0,1,0,0|3,0,0]=4 7568 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,0,0,1,0,0|3,0,0]=4 7569 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,0,0,1,0,0|3,0,0]=4 7570 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [0,0,0,1,0,0|2,0,0]=3 7571 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [0,0,0,1,0,0|2,0,0]=3 7572 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [0,0,0,1,0,0|3,0,0]=4 7573 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [0,0,0,1,0,0|3,0,0]=4 7574 B10R1.126 CC(C)CCSCC1CS1 62a_100000031435_100000210312 [0,0,0,1,0,0|3,0,0]=4 7575 B10R1.126 CC(C)CCSCC1CS1 62a_100000210312_100000031435 [0,0,0,1,0,0|3,0,0]=4 7576 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [0,0,0,1,0,0|3,0,0]=4 7577 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [0,0,0,1,0,0|3,0,0]=4 7578 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [0,0,0,1,0,0|2,0,0]=3 7579 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [0,0,0,1,0,0|2,0,0]=3 7580 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [0,0,0,1,0,0|2,0,0]=3 7581 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [0,0,0,1,0,0|2,0,0]=3 7582 B10R1.126 CC(C)CNCCC1CO1 2230a_100000210953_100000732470 [0,0,0,1,0,0|3,0,0]=4 7583 B10R1.126 CC(C)CNCCC1CO1 34a_100000210953_100000732470 [0,0,0,1,0,0|3,0,0]=4 7584 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [0,0,0,1,0,0|2,0,0]=3 7585 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [0,0,0,1,0,0|2,0,0]=3 7586 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [0,0,0,1,0,0|2,0,0]=3 7587 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [0,0,0,1,0,0|3,0,0]=4 7588 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [0,0,0,1,0,0|3,0,0]=4 7589 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [0,0,0,1,0,0|2,0,0]=3 7590 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [0,0,0,1,0,0|2,0,0]=3 7591 B10R1.126 CC(C)CSCCC1CO1 62a_100000210624_100000732470 [0,0,0,1,0,0|3,0,0]=4 7592 B10R1.126 CC(C)CSCCC1CO1 62a_100000732470_100000210760 [0,0,0,1,0,0|3,0,0]=4 7593 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [0,0,0,1,0,0|3,0,0]=4 7594 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [0,0,0,1,0,0|3,0,0]=4 7595 B10R1.126 CC(C)NCCOC1CC1 34a_100000224655_100000211595 [0,0,0,1,0,0|3,0,0]=4 7596 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [0,0,0,1,0,0|3,0,0]=4 7597 B10R1.126 CC(C)OCCNC1CC1 34a_100000212008_100000211751 [0,0,0,1,0,0|3,0,0]=4 7598 B10R1.126 CC(C)OCCNC1CC1 34a_100000701111_100000211595 [0,0,0,1,0,0|3,0,0]=4 7599 B10R1.126 CC(C)OCCNC1CC1 34a_100000738766_100000210206 [0,0,0,1,0,0|3,0,0]=4 7600 B10R1.126 CC(C)OCCOC1CC1 34a_100000211219_100000211595 [0,0,0,1,0,0|3,0,0]=4 7601 B10R1.126 CC(C)OCCSC1CC1 62a_100000211751_100000211595 [0,0,0,1,0,0|3,0,0]=4 7602 B10R1.126 CC(C)OCNCC1CC1 2230a_100000735609_100000709892 [0,0,0,1,0,0|3,0,0]=4 7603 B10R1.126 CC(C)OCNCC1CC1 34a_100000735609_100000709892 [0,0,0,1,0,0|3,0,0]=4 7604 B10R1.126 CC(C)OCOCC1CC1 34a_100000211283_100000709892 [0,0,0,1,0,0|3,0,0]=4 7605 B10R1.126 CC(C)OCSCC1CC1 62a_100000709892_100000742324 [0,0,0,1,0,0|3,0,0]=4 7606 B10R1.126 CC(C)OCSCC1CC1 62a_100000756562_100000709892 [0,0,0,1,0,0|3,0,0]=4 7607 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [0,0,0,1,0,0|3,0,0]=4 7608 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [0,0,0,1,0,0|3,0,0]=4 7609 B10R1.126 CC(C)SCCNC1CC1 34a_100000212008_100000730970 [0,0,0,1,0,0|3,0,0]=4 7610 B10R1.126 CC(C)SCCNC1CC1 34a_100000731138_100000211595 [0,0,0,1,0,0|3,0,0]=4 7611 B10R1.126 CC(C)SCCOC1CC1 34a_200011212901_100000211595 [0,0,0,1,0,0|3,0,0]=4 7612 B10R1.126 CC(C)SCCSC1CC1 62a_100000730970_100000211595 [0,0,0,1,0,0|3,0,0]=4 7613 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [0,0,0,1,0,0|2,0,0]=3 7614 B10R1.126 CC(F)COCCC1CO1 34a_100015925927_100000732470 [0,0,0,1,0,0|3,0,0]=4 7615 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,0,0,1,0,0|1,0,0]=2 7616 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,0,0,1,0,0|1,0,0]=2 7617 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,0,0,1,0,0|1,0,0]=2 7618 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,0,0,1,0,0|1,0,0]=2 7619 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,0,0,1,0,0|1,0,0]=2 7620 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,0,0,1,0,0|1,0,0]=2 7621 B10R1.126 CC(O)CCNCC1CO1 2230a_200000755665_100011216344 [0,0,0,1,0,0|2,0,0]=3 7622 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,0,0,1,0,0|1,0,0]=2 7623 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [0,0,0,1,0,0|2,0,0]=3 7624 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,0,0,1,0,0|1,0,0]=2 7625 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,0,0,1,0,0|1,0,0]=2 7626 B10R1.126 CC(O)CCSCC1CO1 62a_100012276601_102125554688 [0,0,0,1,0,0|2,0,0]=3 7627 B10R1.126 CC(O)CCSCC1CO1 62a_102125554688_100012276601 [0,0,0,1,0,0|2,0,0]=3 7628 B10R1.126 CC(O)CCSCC1CS1 62a_100000031435_100012276601 [0,0,0,1,0,0|2,0,0]=3 7629 B10R1.126 CC(O)CCSCC1CS1 62a_100012276601_100000031435 [0,0,0,1,0,0|2,0,0]=3 7630 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100000745022_100012276601 [0,0,0,1,0,0|2,0,0]=3 7631 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100012276601_100000745022 [0,0,0,1,0,0|2,0,0]=3 7632 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,0,0,1,0,0|1,0,0]=2 7633 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,0,0,1,0,0|1,0,0]=2 7634 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,0,0,1,0,0|1,0,0]=2 7635 B10R1.126 CC(O)CNCCC1CO1 2230a_100000210904_100000732470 [0,0,0,1,0,0|2,0,0]=3 7636 B10R1.126 CC(O)CNCCC1CO1 34a_100000210904_100000732470 [0,0,0,1,0,0|2,0,0]=3 7637 B10R1.126 CC(O)CNN=CC1CC1 4a_200000730056_100000741477 [0,0,0,1,0,0|2,0,1]=4 7638 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,0,0,1,0,0|1,0,0]=2 7639 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,0,0,1,0,0|1,0,0]=2 7640 B10R1.126 CC(O)COCC[C@@H]1CO1 34a_100009820653_100011218427 [0,0,0,1,0,0|2,0,0]=3 7641 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,0,0,1,0,0|1,0,0]=2 7642 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,0,0,1,0,0|1,0,0]=2 7643 B10R1.126 CC(O)CSCCC1CO1 62a_100000732470_100011218427 [0,0,0,1,0,0|2,0,0]=3 7644 B10R1.126 CC(O)CSCCC1CO1 62a_100011218427_100000732470 [0,0,0,1,0,0|2,0,0]=3 7645 B10R1.126 CN(C)CCNCC1CC1 269862a_100000210585_100000741477 [0,0,0,1,0,0|3,0,0]=4 7646 B10R1.126 CN(C)CCSCC1CC1 62a_100000756562_100000755713 [0,0,0,1,0,0|3,0,0]=4 7647 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [0,0,0,1,0,0|2,0,0]=3 7648 B10R1.126 C[C@@H](Cl)COCCC1CO1 34a_100016084084_100000732470 [0,0,0,1,0,0|3,0,0]=4 7649 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [0,0,0,1,0,0|2,0,0]=3 7650 B10R1.126 C[C@@H](N)CCOCC1CO1 34a_100000706166_102125554688 [0,0,0,1,0,0|3,0,0]=4 7651 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [0,0,0,1,0,0|2,0,0]=3 7652 B10R1.126 C[C@@H](N)COCCC1CO1 34a_100000737577_100000732470 [0,0,0,1,0,0|3,0,0]=4 7653 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,0,0,1,0,0|1,0,0]=2 7654 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,0,0,1,0,0|1,0,0]=2 7655 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,0,0,1,0,0|1,0,0]=2 7656 B10R1.126 C[C@@H](O)COCC[C@@H]1CO1 34a_100009820653_100009817552 [0,0,0,1,0,0|2,0,0]=3 7657 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,0,0,1,0,0|1,0,0]=2 7658 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,0,0,1,0,0|1,0,0]=2 7659 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100000732470_100009817552 [0,0,0,1,0,0|2,0,0]=3 7660 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100009817552_100000732470 [0,0,0,1,0,0|2,0,0]=3 7661 B10R1.126 FC(F)CCOCC1CC1 34a_100103093639_100000742324 [0,0,0,1,0,0|3,0,0]=4 7662 B10R1.126 FC(F)CNCCC1CC1 34a_100000764129_100011934356 [0,0,0,1,0,0|3,0,0]=4 7663 B10R1.126 FC(F)CNCCC1CC1 34a_100000765723_100000694398 [0,0,0,1,0,0|3,0,0]=4 7664 B10R1.126 FC(F)COCCC1CC1 34a_100000743014_100000694398 [0,0,0,1,0,0|3,0,0]=4 7665 B10R1.126 FC(F)COCCC1CC1 34a_100000754188_100011934356 [0,0,0,1,0,0|3,0,0]=4 7666 B10R1.126 FC(F)COCCC1CC1 7a_100000754188_100011934356 [0,0,0,1,0,0|3,0,0]=4 7667 B10R1.126 FC(F)CSCCC1CC1 62a_100000764125_100011934356 [0,0,0,1,0,0|3,0,0]=4 7668 B10R1.126 FC(F)CSCCC1CC1 62a_100011934356_100000764125 [0,0,0,1,0,0|3,0,0]=4 7669 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,0,1,0,0|2,0,1]=4 7670 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [0,0,0,1,0,0|2,0,1]=4 7671 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [0,0,0,1,0,0|2,0,1]=4 7672 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,0,0,1,0,0|2,0,1]=4 7673 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,0,0,1,0,0|2,0,1]=4 7674 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [0,0,0,1,0,0|2,0,1]=4 7675 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [0,0,0,1,0,0|2,0,1]=4 7676 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [0,0,0,1,0,0|2,0,1]=4 7677 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,0,0,1,0,0|2,0,1]=4 7678 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,0,0,1,0,0|2,0,1]=4 7679 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [0,0,0,1,0,0|2,0,1]=4 7680 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [0,0,0,1,0,0|2,0,1]=4 7681 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,0,1,0,0|1,0,2]=4 7682 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,0,1,0,0|1,0,2]=4 7683 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,0,1,0,0|1,0,2]=4 7684 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,0,1,0,0|1,0,2]=4 7685 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [0,0,0,1,0,0|2,0,0]=3 7686 B10R1.127 CC(Br)CCOC1COC1 34a_100009893172_100009818527 [0,0,0,1,0,0|3,0,0]=4 7687 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [0,0,0,1,0,0|2,0,0]=3 7688 B10R1.127 CC(Br)COCC1CCO1 34a_100012180447_100000103362 [0,0,0,1,0,0|3,0,0]=4 7689 B10R1.127 CC(Br)COCC1COC1 34a_100012180447_100010264016 [0,0,0,1,0,0|3,0,0]=4 7690 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [0,0,0,1,0,0|2,0,0]=3 7691 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [0,0,0,1,0,0|2,0,0]=3 7692 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [0,0,0,1,0,0|2,0,0]=3 7693 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [0,0,0,1,0,0|2,0,0]=3 7694 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [0,0,0,1,0,0|2,0,0]=3 7695 B10R1.127 CC(C)CCNC1COC1 2230a_100016991112_100000210312 [0,0,0,1,0,0|3,0,0]=4 7696 B10R1.127 CC(C)CCNC1COC1 269862a_100016991112_100000185833 [0,0,0,1,0,0|3,0,0]=4 7697 B10R1.127 CC(C)CCNC1CSC1 269862a_100016994217_100000185833 [0,0,0,1,0,0|3,0,0]=4 7698 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,0,0,1,0,0|2,0,0]=3 7699 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,0,0,1,0,0|2,0,0]=3 7700 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [0,0,0,1,0,0|3,0,0]=4 7701 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [0,0,0,1,0,0|3,0,0]=4 7702 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [0,0,0,1,0,0|3,0,0]=4 7703 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [0,0,0,1,0,0|2,0,0]=3 7704 B10R1.127 CC(C)CCSC1COC1 62a_100000210312_100009818527 [0,0,0,1,0,0|3,0,0]=4 7705 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [0,0,0,1,0,0|2,0,0]=3 7706 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [0,0,0,1,0,0|2,0,0]=3 7707 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [0,0,0,1,0,0|2,0,0]=3 7708 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [0,0,0,1,0,0|2,0,0]=3 7709 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [0,0,0,1,0,0|2,0,0]=3 7710 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [0,0,0,1,0,0|2,0,0]=3 7711 B10R1.127 CC(C)CNCC1CCO1 2230a_100000210953_100000103362 [0,0,0,1,0,0|3,0,0]=4 7712 B10R1.127 CC(C)CNCC1CCO1 34a_100000210953_100000103362 [0,0,0,1,0,0|3,0,0]=4 7713 B10R1.127 CC(C)CNCC1COC1 2230a_100000210953_100010264016 [0,0,0,1,0,0|3,0,0]=4 7714 B10R1.127 CC(C)CNCC1COC1 2230a_100015281925_100000210760 [0,0,0,1,0,0|3,0,0]=4 7715 B10R1.127 CC(C)CNCC1COC1 270004a_100015281925_100000210432 [0,0,0,1,0,0|3,0,0]=4 7716 B10R1.127 CC(C)CNCC1COC1 34a_100000210953_100010264016 [0,0,0,1,0,0|3,0,0]=4 7717 B10R1.127 CC(C)CNCC1COC1 34a_100015281925_100000210624 [0,0,0,1,0,0|3,0,0]=4 7718 B10R1.127 CC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000210760 [0,0,0,1,0,0|3,0,0]=4 7719 B10R1.127 CC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000210432 [0,0,0,1,0,0|3,0,0]=4 7720 B10R1.127 CC(C)CNC[C@@H]1CCO1 34a_100020831831_100000210624 [0,0,0,1,0,0|3,0,0]=4 7721 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [0,0,0,1,0,0|2,0,0]=3 7722 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [0,0,0,1,0,0|2,0,0]=3 7723 B10R1.127 CC(C)COCC1CCO1 34a_100000039022_100000210624 [0,0,0,1,0,0|3,0,0]=4 7724 B10R1.127 CC(C)COCC1CCO1 34a_100000210257_100000103362 [0,0,0,1,0,0|3,0,0]=4 7725 B10R1.127 CC(C)COCC1CNC1 34a_100016987283_100000210624 [0,0,0,1,0,0|3,0,0]=4 7726 B10R1.127 CC(C)COCC1COC1 34a_100000060846_100000210624 [0,0,0,1,0,0|3,0,0]=4 7727 B10R1.127 CC(C)COCC1COC1 34a_100000210257_100010264016 [0,0,0,1,0,0|3,0,0]=4 7728 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [0,0,0,1,0,0|2,0,0]=3 7729 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [0,0,0,1,0,0|2,0,0]=3 7730 B10R1.127 CC(C)CSCC1CCO1 62a_100000103362_100000210760 [0,0,0,1,0,0|3,0,0]=4 7731 B10R1.127 CC(C)CSCC1CCO1 62a_100000210624_100000103362 [0,0,0,1,0,0|3,0,0]=4 7732 B10R1.127 CC(C)CSCC1COC1 62a_100000210624_100010264016 [0,0,0,1,0,0|3,0,0]=4 7733 B10R1.127 CC(C)CSCC1COC1 62a_100010264016_100000210760 [0,0,0,1,0,0|3,0,0]=4 7734 B10R1.127 CC(C)OCCC1COC1 34a_100009855314_100000210206 [0,0,0,1,0,0|3,0,0]=4 7735 B10R1.127 CC(C)OCCN1CCC1 269982a_100000754969_100000211751 [0,0,0,1,0,0|3,0,0]=4 7736 B10R1.127 CC(C)OCNC1CCC1 2230a_100000749019_100000709892 [0,0,0,1,0,0|3,0,0]=4 7737 B10R1.127 CC(C)OCNC1CCC1 34a_100000749019_100000709892 [0,0,0,1,0,0|3,0,0]=4 7738 B10R1.127 CC(C)OCOC1CCC1 34a_100000748187_100000709892 [0,0,0,1,0,0|3,0,0]=4 7739 B10R1.127 CC(C)OCSC1CCC1 62a_100000709892_100000749161 [0,0,0,1,0,0|3,0,0]=4 7740 B10R1.127 CC(C)SCCN1CCC1 269982a_100000754969_100000730970 [0,0,0,1,0,0|3,0,0]=4 7741 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [0,0,0,1,0,0|2,0,0]=3 7742 B10R1.127 CC(F)COCC1CCO1 34a_100015925927_100000103362 [0,0,0,1,0,0|3,0,0]=4 7743 B10R1.127 CC(F)COCC1COC1 34a_100015925927_100010264016 [0,0,0,1,0,0|3,0,0]=4 7744 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,0,0,1,0,0|1,0,0]=2 7745 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,0,0,1,0,0|1,0,0]=2 7746 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,0,0,1,0,0|1,0,0]=2 7747 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,0,0,1,0,0|1,0,0]=2 7748 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [0,0,0,1,0,0|2,0,0]=3 7749 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,0,0,1,0,0|1,0,0]=2 7750 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [0,0,0,1,0,0|2,0,0]=3 7751 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,0,0,1,0,0|1,0,0]=2 7752 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [0,0,0,1,0,0|2,0,0]=3 7753 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,0,0,1,0,0|1,0,0]=2 7754 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,0,0,1,0,0|1,0,0]=2 7755 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,0,0,1,0,0|1,0,0]=2 7756 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,0,0,1,0,0|1,0,0]=2 7757 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,0,0,1,0,0|1,0,0]=2 7758 B10R1.127 CC(O)CNCC1CCO1 2230a_100000210904_100000103362 [0,0,0,1,0,0|2,0,0]=3 7759 B10R1.127 CC(O)CNCC1CCO1 34a_100000210904_100000103362 [0,0,0,1,0,0|2,0,0]=3 7760 B10R1.127 CC(O)CNCC1COC1 2230a_100000210904_100010264016 [0,0,0,1,0,0|2,0,0]=3 7761 B10R1.127 CC(O)CNCC1COC1 2230a_100015281925_100011218427 [0,0,0,1,0,0|2,0,0]=3 7762 B10R1.127 CC(O)CNCC1COC1 34a_100000210904_100010264016 [0,0,0,1,0,0|2,0,0]=3 7763 B10R1.127 CC(O)CNCC1COC1 34a_100015281925_100011218427 [0,0,0,1,0,0|2,0,0]=3 7764 B10R1.127 CC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218427 [0,0,0,1,0,0|2,0,0]=3 7765 B10R1.127 CC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218427 [0,0,0,1,0,0|2,0,0]=3 7766 B10R1.127 CC(O)CNN=C1CCC1 4a_200000730056_100000241760 [0,0,0,1,0,0|2,0,1]=4 7767 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,0,0,1,0,0|1,0,0]=2 7768 B10R1.127 CC(O)COCC1CCO1 34a_100000039022_100011218427 [0,0,0,1,0,0|2,0,0]=3 7769 B10R1.127 CC(O)COCC1CNC1 34a_100016987283_100011218427 [0,0,0,1,0,0|2,0,0]=3 7770 B10R1.127 CC(O)COCC1COC1 34a_100000060846_100011218427 [0,0,0,1,0,0|2,0,0]=3 7771 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,0,0,1,0,0|1,0,0]=2 7772 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,0,0,1,0,0|1,0,0]=2 7773 B10R1.127 CC(O)CSCC1CCO1 62a_100000103362_100011218427 [0,0,0,1,0,0|2,0,0]=3 7774 B10R1.127 CC(O)CSCC1CCO1 62a_100011218427_100000103362 [0,0,0,1,0,0|2,0,0]=3 7775 B10R1.127 CC(O)CSCC1COC1 62a_100010264016_100011218427 [0,0,0,1,0,0|2,0,0]=3 7776 B10R1.127 CC(O)CSCC1COC1 62a_100011218427_100010264016 [0,0,0,1,0,0|2,0,0]=3 7777 B10R1.127 CN(C)CCCN1CCC1 269982a_100000754969_100000757444 [0,0,0,1,0,0|3,0,0]=4 7778 B10R1.127 CN(C)CCNC1CCC1 270004a_100000210585_100000241760 [0,0,0,1,0,0|3,0,0]=4 7779 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [0,0,0,1,0,0|2,0,0]=3 7780 B10R1.127 C[C@@H](Cl)COCC1CCO1 34a_100016084084_100000103362 [0,0,0,1,0,0|3,0,0]=4 7781 B10R1.127 C[C@@H](Cl)COCC1COC1 34a_100016084084_100010264016 [0,0,0,1,0,0|3,0,0]=4 7782 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [0,0,0,1,0,0|2,0,0]=3 7783 B10R1.127 C[C@@H](N)CCOC1COC1 34a_100000706166_100009818527 [0,0,0,1,0,0|3,0,0]=4 7784 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [0,0,0,1,0,0|2,0,0]=3 7785 B10R1.127 C[C@@H](N)COCC1CCO1 34a_100000737577_100000103362 [0,0,0,1,0,0|3,0,0]=4 7786 B10R1.127 C[C@@H](N)COCC1COC1 34a_100000737577_100010264016 [0,0,0,1,0,0|3,0,0]=4 7787 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,0,0,1,0,0|1,0,0]=2 7788 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,0,0,1,0,0|1,0,0]=2 7789 B10R1.127 C[C@@H](O)CNCC1COC1 2230a_100015281925_100009817552 [0,0,0,1,0,0|2,0,0]=3 7790 B10R1.127 C[C@@H](O)CNCC1COC1 34a_100015281925_100009817552 [0,0,0,1,0,0|2,0,0]=3 7791 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009817552 [0,0,0,1,0,0|2,0,0]=3 7792 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009817552 [0,0,0,1,0,0|2,0,0]=3 7793 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,0,0,1,0,0|1,0,0]=2 7794 B10R1.127 C[C@@H](O)COCC1CCO1 34a_100000039022_100009817552 [0,0,0,1,0,0|2,0,0]=3 7795 B10R1.127 C[C@@H](O)COCC1CNC1 34a_100016987283_100009817552 [0,0,0,1,0,0|2,0,0]=3 7796 B10R1.127 C[C@@H](O)COCC1COC1 34a_100000060846_100009817552 [0,0,0,1,0,0|2,0,0]=3 7797 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,0,0,1,0,0|1,0,0]=2 7798 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,0,0,1,0,0|1,0,0]=2 7799 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100000103362_100009817552 [0,0,0,1,0,0|2,0,0]=3 7800 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100009817552_100000103362 [0,0,0,1,0,0|2,0,0]=3 7801 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100009817552_100010264016 [0,0,0,1,0,0|2,0,0]=3 7802 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100010264016_100009817552 [0,0,0,1,0,0|2,0,0]=3 7803 B10R1.127 FC(F)CCOC1CCC1 34a_100103093639_100000749161 [0,0,0,1,0,0|3,0,0]=4 7804 B10R1.127 FC(F)CNCC1CCC1 2230a_100000738700_100011934356 [0,0,0,1,0,0|3,0,0]=4 7805 B10R1.127 FC(F)CNCC1CCC1 34a_100000738700_100011934356 [0,0,0,1,0,0|3,0,0]=4 7806 B10R1.127 FC(F)CNCC1CCC1 34a_100000765723_100000763275 [0,0,0,1,0,0|3,0,0]=4 7807 B10R1.127 FC(F)COCC1CCC1 34a_100000743014_100000763275 [0,0,0,1,0,0|3,0,0]=4 7808 B10R1.127 FC(F)COCC1CCC1 34a_100000760304_100011934356 [0,0,0,1,0,0|3,0,0]=4 7809 B10R1.127 FC(F)CSCC1CCC1 62a_100000763275_100011934356 [0,0,0,1,0,0|3,0,0]=4 7810 B10R1.127 FC(F)CSCC1CCC1 62a_100011934356_100000763275 [0,0,0,1,0,0|3,0,0]=4 7811 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,0,0,1,0,0|2,0,1]=4 7812 B10R1.133 CC1(CCCC1OCF)C 34a_100000726220_100015361967 [0,0,0,1,0,0|3,0,0]=4 7813 B10R1.133 CC1(CCCC1OCF)C 7a_100000726220_100015361967 [0,0,0,1,0,0|3,0,0]=4 7814 B10R1.133 CC1(CCCN1CCF)C 2230a_100000761399_100011217306 [0,0,0,1,0,0|3,0,0]=4 7815 B10R1.133 CC1(CCCN1CCF)C 269982a_100000761399_100011217306 [0,0,0,1,0,0|3,0,0]=4 7816 B10R1.133 CC1(CCCN1CCF)C 34a_100000761399_100011217306 [0,0,0,1,0,0|3,0,0]=4 7817 B10R1.133 CC1(CCCN1CCO)C 2230a_100000761399_100000211926 [0,0,0,1,0,0|3,0,0]=4 7818 B10R1.133 CC1(CCCN1CCO)C 269982a_100000761399_100000211926 [0,0,0,1,0,0|3,0,0]=4 7819 B10R1.133 CC1(CCCN1CCO)C 34a_100000761399_100000211926 [0,0,0,1,0,0|3,0,0]=4 7820 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [0,0,0,1,0,0|2,0,0]=3 7821 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [0,0,0,1,0,0|2,0,0]=3 7822 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [0,0,0,1,0,0|2,0,0]=3 7823 B10R1.133 CCCN1CCSC1(C)C 2230a_100011217261_100000210303 [0,0,0,1,0,0|3,0,0]=4 7824 B10R1.133 CCCN1CCSC1(C)C 269982a_100011217261_100000210303 [0,0,0,1,0,0|3,0,0]=4 7825 B10R1.133 CCCN1CCSC1(C)C 34a_100011217261_100000210303 [0,0,0,1,0,0|3,0,0]=4 7826 B10R1.133 CCCN1COCC1(C)C 2230a_100000043020_100000210303 [0,0,0,1,0,0|3,0,0]=4 7827 B10R1.133 CCCN1COCC1(C)C 269982a_100000043020_100000210303 [0,0,0,1,0,0|3,0,0]=4 7828 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [0,0,0,1,0,0|2,0,0]=3 7829 B10R1.133 CCNC1CCCC1(F)F 2230a_100000767123_100000210202 [0,0,0,1,0,0|3,0,0]=4 7830 B10R1.133 CCNC1CCCC1(F)F 34a_100000767123_100000210202 [0,0,0,1,0,0|3,0,0]=4 7831 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,0,0,1,0,0|1,0,0]=2 7832 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,0,0,1,0,0|1,0,0]=2 7833 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [0,0,0,1,0,0|2,0,0]=3 7834 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [0,0,0,1,0,0|2,0,0]=3 7835 B10R1.133 CCOC1CCCC1(F)F 34a_100121572206_100119073726 [0,0,0,1,0,0|3,0,0]=4 7836 B10R1.133 CCSC1CCCC1(F)F 62a_100000210202_100119073726 [0,0,0,1,0,0|3,0,0]=4 7837 B10R1.133 CCSC1CCCC1(F)F 62a_100119073726_100000210202 [0,0,0,1,0,0|3,0,0]=4 7838 B10R1.133 COCN1CCCC1(C)C 2230a_100000761399_100000766300 [0,0,0,1,0,0|3,0,0]=4 7839 B10R1.133 COCN1CCCC1(C)C 269982a_100000761399_100000766300 [0,0,0,1,0,0|3,0,0]=4 7840 B10R1.133 CSCN1CCCC1(C)C 2230a_100000761399_100011218213 [0,0,0,1,0,0|3,0,0]=4 7841 B10R1.133 CSCN1CCCC1(C)C 269982a_100000761399_100011218213 [0,0,0,1,0,0|3,0,0]=4 7842 B10R1.133 CSCN1CCCC1(C)C 34a_100000761399_100011218213 [0,0,0,1,0,0|3,0,0]=4 7843 B10R1.133 C[C@]1(CCC[C@H]1NCF)O 34a_100015977457_100015361967 [0,0,0,1,0,0|2,0,0]=3 7844 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,0,0,1,0,0|1,0,0]=2 7845 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,0,0,1,0,0|1,0,0]=2 7846 B10R1.162 CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210202 [0,0,0,1,0,0|2,0,0]=3 7847 B10R1.162 CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000204670 [0,0,0,1,0,0|2,0,0]=3 7848 B10R1.162 OC1CCCCN(C1)CF 269982a_100025706797_100015361967 [0,0,0,1,0,0|2,0,0]=3 7849 B10R1.162 O[C@H]1COCCN(C1)CF 269982a_100016073750_100015361967 [0,0,0,1,0,0|3,0,0]=4 7850 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,0,0,1,0,0|3,0,0]=4 7851 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,0,0,1,0,0|3,0,0]=4 7852 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,0,0,1,0,0|2,0,0]=3 7853 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,0,0,1,0,0|3,0,0]=4 7854 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [0,0,0,1,0,0|2,0,0]=3 7855 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [0,0,0,1,0,0|2,0,0]=3 7856 B10R1.177 C#CCCCNCC1CO1 34a_100000718082_102125554688 [0,0,0,1,0,0|1,0,2]=4 7857 B10R1.177 C#CCCCOCC1CO1 34a_100000215630_102125554688 [0,0,0,1,0,0|1,0,2]=4 7858 B10R1.177 C#CCCCOCC1CO1 7a_100000215630_102125554688 [0,0,0,1,0,0|1,0,2]=4 7859 B10R1.177 C#CCCCOC[C@@H]1CO1 34a_100000757423_100000695029 [0,0,0,1,0,0|1,0,2]=4 7860 B10R1.177 C#CCCCOC[C@@H]1CO1 7a_100000215630_100000745022 [0,0,0,1,0,0|1,0,2]=4 7861 B10R1.177 C#CCCCSCC1CO1 62a_100011215417_102125554688 [0,0,0,1,0,0|1,0,2]=4 7862 B10R1.177 C#CCCCSCC1CO1 62a_102125554688_100011215417 [0,0,0,1,0,0|1,0,2]=4 7863 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100000745022_100011215417 [0,0,0,1,0,0|1,0,2]=4 7864 B10R1.177 C#CCCCSC[C@@H]1CO1 62a_100011215417_100000745022 [0,0,0,1,0,0|1,0,2]=4 7865 B10R1.177 C#CCCNCCC1CO1 34a_100000755551_100000732470 [0,0,0,1,0,0|1,0,2]=4 7866 B10R1.177 C#CCCOCCC1CO1 34a_100011215631_100000732470 [0,0,0,1,0,0|1,0,2]=4 7867 B10R1.177 C#CCCOCC[C@@H]1CO1 34a_100009820653_100000688953 [0,0,0,1,0,0|1,0,2]=4 7868 B10R1.177 C#CCCSCCC1CO1 62a_100000688953_100000732470 [0,0,0,1,0,0|1,0,2]=4 7869 B10R1.177 C#CCCSCCC1CO1 62a_100000732470_100000688953 [0,0,0,1,0,0|1,0,2]=4 7870 B10R1.177 C#CCNCCCC1CO1 34a_100000212058_100000733510 [0,0,0,1,0,0|1,0,2]=4 7871 B10R1.177 C#CCOCCCC1CO1 34a_100000210247_100000733510 [0,0,0,1,0,0|1,0,2]=4 7872 B10R1.177 C#CCSCCCC1CO1 62a_100000038162_100000733510 [0,0,0,1,0,0|1,0,2]=4 7873 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,0,0,1,0,0|1,0,2]=4 7874 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,0,0,1,0,0|1,0,2]=4 7875 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,0,0,1,0,0|1,0,2]=4 7876 B10R1.177 C/C=C/CSCCC1CO1 62a_100000732470_100102629194 [0,0,0,1,0,0|1,0,2]=4 7877 B10R1.177 C/C=C/CSCCC1CO1 62a_100102629194_100000732470 [0,0,0,1,0,0|1,0,2]=4 7878 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,0,0,1,0,0|1,0,2]=4 7879 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,0,0,1,0,0|1,0,2]=4 7880 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 7881 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 7882 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,0,0,1,0,0|1,0,2]=4 7883 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,0,0,1,0,0|1,0,2]=4 7884 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,0,0,1,0,0|1,0,2]=4 7885 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,0,0,1,0,0|1,0,2]=4 7886 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,0,0,1,0,0|1,0,2]=4 7887 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,0,0,1,0,0|1,0,2]=4 7888 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,0,0,1,0,0|1,0,2]=4 7889 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,0,0,1,0,0|1,0,2]=4 7890 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,0,0,1,0,0|1,0,2]=4 7891 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,0,0,1,0,0|1,0,2]=4 7892 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,0,0,1,0,0|1,0,2]=4 7893 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,0,0,1,0,0|1,0,2]=4 7894 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,0,0,1,0,0|1,0,2]=4 7895 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,0,0,1,0,0|1,0,2]=4 7896 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,0,0,1,0,0|1,0,2]=4 7897 B10R1.177 CC#CCCOCC1CO1 34a_100000750427_102125554688 [0,0,0,1,0,0|1,0,2]=4 7898 B10R1.177 CC#CCNCCC1CO1 2230a_100000685387_100000732470 [0,0,0,1,0,0|1,0,2]=4 7899 B10R1.177 CC#CCNCCC1CO1 34a_100000685387_100000732470 [0,0,0,1,0,0|1,0,2]=4 7900 B10R1.177 CC#CCOCCC1CO1 34a_100000761923_100000732470 [0,0,0,1,0,0|1,0,2]=4 7901 B10R1.177 CC#CCOCC[C@@H]1CO1 34a_100009820653_100000748600 [0,0,0,1,0,0|1,0,2]=4 7902 B10R1.177 CC#CCSCCC1CO1 62a_100000732470_100000748600 [0,0,0,1,0,0|1,0,2]=4 7903 B10R1.177 CC#CCSCCC1CO1 62a_100000748600_100000732470 [0,0,0,1,0,0|1,0,2]=4 7904 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,0,0,1,0,0|1,0,2]=4 7905 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,0,0,1,0,0|1,0,2]=4 7906 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,0,0,1,0,0|1,0,2]=4 7907 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,0,0,1,0,0|1,0,2]=4 7908 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,0,0,1,0,0|1,0,2]=4 7909 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,0,0,1,0,0|1,0,2]=4 7910 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,0,0,1,0,0|1,0,2]=4 7911 B10R1.177 CC=CCSCCC1CO1 62a_100000070051_100000732470 [0,0,0,1,0,0|1,0,2]=4 7912 B10R1.177 CC=CCSCCC1CO1 62a_100000732470_100000070051 [0,0,0,1,0,0|1,0,2]=4 7913 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,0,0,1,0,0|1,0,2]=4 7914 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,0,0,1,0,0|1,0,2]=4 7915 B10R1.177 CCC#CCSCC1CO1 62a_100009813939_102125554688 [0,0,0,1,0,0|1,0,2]=4 7916 B10R1.177 CCC#CCSCC1CO1 62a_102125554688_100009813939 [0,0,0,1,0,0|1,0,2]=4 7917 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100000745022_100009813939 [0,0,0,1,0,0|1,0,2]=4 7918 B10R1.177 CCC#CCSC[C@@H]1CO1 62a_100009813939_100000745022 [0,0,0,1,0,0|1,0,2]=4 7919 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,0,0,1,0,0|2,0,0]=3 7920 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|2,0,0]=3 7921 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,0,0,1,0,0|2,0,0]=3 7922 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,0,0,1,0,0|2,0,0]=3 7923 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,0,0,1,0,0|2,0,0]=3 7924 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,0,0,1,0,0|2,0,0]=3 7925 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,0,0,1,0,0|2,0,0]=3 7926 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|1,0,0]=2 7927 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,0,0,1,0,0|2,0,0]=3 7928 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,0,0,1,0,0|2,0,0]=3 7929 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,0,0,1,0,0|2,0,0]=3 7930 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|1,0,0]=2 7931 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|1,0,0]=2 7932 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,0,0,1,0,0|1,1,0]=3 7933 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|1,0,0]=2 7934 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|1,0,0]=2 7935 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,0,0,1,0,0|2,0,0]=3 7936 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,0,0,1,0,0|2,0,0]=3 7937 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|1,0,0]=2 7938 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|1,0,0]=2 7939 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,0,0,1,0,0|1,1,0]=3 7940 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,0,0,1,0,0|1,1,0]=3 7941 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|1,0,0]=2 7942 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|1,0,0]=2 7943 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,0,0,1,0,0|2,0,0]=3 7944 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,0,0,1,0,0|2,0,0]=3 7945 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,0,0,1,0,0|2,0,0]=3 7946 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|1,0,0]=2 7947 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|1,0,0]=2 7948 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,0,0,1,0,0|2,0,0]=3 7949 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,0,0,1,0,0|2,0,0]=3 7950 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,0,0,1,0,0|2,0,0]=3 7951 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,0,0,1,0,0|2,0,0]=3 7952 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|1,0,0]=2 7953 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|1,0,0]=2 7954 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|1,0,0]=2 7955 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [0,0,0,1,0,0|3,0,0]=4 7956 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [0,0,0,1,0,0|3,0,0]=4 7957 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,0,0,1,0,0|2,0,0]=3 7958 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,0,0,1,0,0|2,0,0]=3 7959 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|1,0,0]=2 7960 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|1,0,0]=2 7961 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|1,0,0]=2 7962 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [0,0,0,1,0,0|3,0,0]=4 7963 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [0,0,0,1,0,0|3,0,0]=4 7964 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [0,0,0,1,0,0|3,0,0]=4 7965 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,0,0,1,0,0|3,0,0]=4 7966 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [0,0,0,1,0,0|3,0,0]=4 7967 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|1,0,0]=2 7968 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|1,0,0]=2 7969 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [0,0,0,1,0,0|3,0,0]=4 7970 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [0,0,0,1,0,0|3,0,0]=4 7971 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [0,0,0,1,0,0|3,0,0]=4 7972 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [0,0,0,1,0,0|3,0,0]=4 7973 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [0,0,0,1,0,0|3,0,0]=4 7974 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,0,0,1,0,0|3,0,0]=4 7975 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,0,0,1,0,0|3,0,0]=4 7976 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,0,0,1,0,0|3,0,0]=4 7977 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,0,0,1,0,0|3,0,0]=4 7978 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,0,0,1,0,0|3,0,0]=4 7979 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,0,0,1,0,0|2,0,0]=3 7980 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,0,0,1,0,0|2,0,0]=3 7981 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,0,0,1,0,0|3,0,0]=4 7982 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,0,0,1,0,0|3,0,0]=4 7983 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,0,0,1,0,0|3,0,0]=4 7984 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,0,0,1,0,0|2,0,0]=3 7985 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,0,0,1,0,0|2,0,0]=3 7986 B10R1.177 CCOCCOCC1CS1 7a_100000210136_100000031435 [0,0,0,1,0,0|2,1,0]=4 7987 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,0,0,1,0,0|2,0,0]=3 7988 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,0,0,1,0,0|2,0,0]=3 7989 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,0,0,1,0,0|3,0,0]=4 7990 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,0,0,1,0,0|3,0,0]=4 7991 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,0,0,1,0,0|2,0,0]=3 7992 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,0,0,1,0,0|2,0,0]=3 7993 B10R1.177 CCOCCSCC1CS1 62a_100000031435_100011215890 [0,0,0,1,0,0|2,1,0]=4 7994 B10R1.177 CCOCCSCC1CS1 62a_100000210147_100000031435 [0,0,0,1,0,0|2,1,0]=4 7995 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,0,0,1,0,0|2,0,0]=3 7996 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,0,0,1,0,0|2,0,0]=3 7997 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [0,0,0,1,0,0|3,0,0]=4 7998 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [0,0,0,1,0,0|3,0,0]=4 7999 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,0,0,1,0,0|2,0,0]=3 8000 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,0,0,1,0,0|2,0,0]=3 8001 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [0,0,0,1,0,0|3,0,0]=4 8002 B10R1.177 CCSCCNCC1CC1 2230a_100000106463_100000742324 [0,0,0,1,0,0|3,0,0]=4 8003 B10R1.177 CCSCCNCC1CC1 2230a_100000735609_100000757381 [0,0,0,1,0,0|3,0,0]=4 8004 B10R1.177 CCSCCNCC1CC1 269862a_100000106463_100000741477 [0,0,0,1,0,0|3,0,0]=4 8005 B10R1.177 CCSCCNCC1CC1 34a_100000735609_100000757381 [0,0,0,1,0,0|3,0,0]=4 8006 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,0,0,1,0,0|2,0,0]=3 8007 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [0,0,0,1,0,0|3,0,0]=4 8008 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [0,0,0,1,0,0|3,0,0]=4 8009 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [0,0,0,1,0,0|3,0,0]=4 8010 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,0,0,1,0,0|2,0,0]=3 8011 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,0,0,1,0,0|2,0,0]=3 8012 B10R1.177 CCSCCOCC1CS1 7a_100000212035_100000031435 [0,0,0,1,0,0|2,1,0]=4 8013 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,0,0,1,0,0|2,0,0]=3 8014 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,0,0,1,0,0|2,0,0]=3 8015 B10R1.177 CCSCCSCC1CC1 62a_100000756562_100000757381 [0,0,0,1,0,0|3,0,0]=4 8016 B10R1.177 CCSCCSCC1CC1 62a_100000757381_100000742324 [0,0,0,1,0,0|3,0,0]=4 8017 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,0,0,1,0,0|2,0,0]=3 8018 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,0,0,1,0,0|2,0,0]=3 8019 B10R1.177 CCSCCSCC1CS1 62a_100000031435_100000757381 [0,0,0,1,0,0|2,1,0]=4 8020 B10R1.177 CCSCCSCC1CS1 62a_100000757381_100000031435 [0,0,0,1,0,0|2,1,0]=4 8021 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,0,0,1,0,0|2,0,0]=3 8022 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,0,0,1,0,0|2,0,0]=3 8023 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,0,0,1,0,0|3,0,0]=4 8024 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,0,0,1,0,0|2,0,0]=3 8025 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,0,0,1,0,0|3,0,0]=4 8026 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,0,0,1,0,0|3,0,0]=4 8027 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,0,0,1,0,0|3,0,0]=4 8028 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,0,0,1,0,0|3,0,0]=4 8029 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,0,0,1,0,0|3,0,0]=4 8030 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,0,0,1,0,0|3,0,0]=4 8031 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,0,0,1,0,0|3,0,0]=4 8032 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,0,0,1,0,0|2,0,0]=3 8033 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,0,0,1,0,0|3,0,0]=4 8034 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,0,0,1,0,0|3,0,0]=4 8035 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,0,0,1,0,0|2,0,0]=3 8036 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,0,0,1,0,0|2,0,0]=3 8037 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,0,0,1,0,0|3,0,0]=4 8038 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,0,0,1,0,0|3,0,0]=4 8039 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,0,0,1,0,0|2,0,0]=3 8040 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,0,0,1,0,0|2,0,0]=3 8041 B10R1.177 COCCCSCC1CS1 62a_100000031435_100000709357 [0,0,0,1,0,0|2,1,0]=4 8042 B10R1.177 COCCCSCC1CS1 62a_100000709357_100000031435 [0,0,0,1,0,0|2,1,0]=4 8043 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,0,0,1,0,0|2,0,0]=3 8044 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,0,0,1,0,0|2,0,0]=3 8045 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,0,0,1,0,0|3,0,0]=4 8046 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,0,0,1,0,0|3,0,0]=4 8047 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [0,0,0,1,0,0|2,0,0]=3 8048 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,0,0,1,0,0|3,0,0]=4 8049 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,0,0,1,0,0|3,0,0]=4 8050 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,0,0,1,0,0|3,0,0]=4 8051 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [0,0,0,1,0,0|2,0,0]=3 8052 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [0,0,0,1,0,0|2,0,0]=3 8053 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,0,0,1,0,0|3,0,0]=4 8054 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,0,0,1,0,0|3,0,0]=4 8055 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [0,0,0,1,0,0|2,0,0]=3 8056 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [0,0,0,1,0,0|2,0,0]=3 8057 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [0,0,0,1,0,0|2,0,0]=3 8058 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [0,0,0,1,0,0|2,0,0]=3 8059 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,0,0,1,0,0|3,0,0]=4 8060 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,0,0,1,0,0|3,0,0]=4 8061 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,0,0,1,0,0|3,0,0]=4 8062 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,0,0,1,0,0|2,0,0]=3 8063 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,0,0,1,0,0|3,0,0]=4 8064 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,0,0,1,0,0|3,0,0]=4 8065 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,0,0,1,0,0|2,0,0]=3 8066 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,0,0,1,0,0|2,0,0]=3 8067 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,0,0,1,0,0|2,1,0]=4 8068 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,0,0,1,0,0|2,0,0]=3 8069 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,0,0,1,0,0|3,0,0]=4 8070 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,0,0,1,0,0|3,0,0]=4 8071 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [0,0,0,1,0,0|2,0,0]=3 8072 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,0,0,1,0,0|3,0,0]=4 8073 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,0,0,1,0,0|3,0,0]=4 8074 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,0,0,1,0,0|3,0,0]=4 8075 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,0,0,1,0,0|3,0,0]=4 8076 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [0,0,0,1,0,0|2,0,0]=3 8077 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [0,0,0,1,0,0|2,0,0]=3 8078 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [0,0,0,1,0,0|2,0,0]=3 8079 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,0,0,1,0,0|3,0,0]=4 8080 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,0,0,1,0,0|3,0,0]=4 8081 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [0,0,0,1,0,0|2,0,0]=3 8082 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [0,0,0,1,0,0|2,0,0]=3 8083 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [0,0,0,1,0,0|2,0,0]=3 8084 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [0,0,0,1,0,0|2,0,0]=3 8085 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,0,0,1,0,0|3,0,0]=4 8086 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,0,0,1,0,0|3,0,0]=4 8087 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,0,0,1,0,0|3,0,0]=4 8088 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 8089 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 8090 B10R1.177 ClCCCCOCC1CS1 7a_100000210776_100000031435 [0,0,0,1,0,0|2,1,0]=4 8091 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,0,0,1,0,0|2,0,0]=3 8092 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,0,0,1,0,0|3,0,0]=4 8093 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [0,0,0,1,0,0|2,0,0]=3 8094 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,0,0,1,0,0|3,0,0]=4 8095 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,0,0,1,0,0|3,0,0]=4 8096 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,0,0,1,0,0|3,0,0]=4 8097 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,0,0,1,0,0|3,0,0]=4 8098 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,0,0,1,0,0|3,0,0]=4 8099 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,0,0,1,0,0|3,0,0]=4 8100 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,0,0,1,0,0|3,0,0]=4 8101 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,0,0,1,0,0|2,0,0]=3 8102 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,0,0,1,0,0|2,0,0]=3 8103 B10R1.177 FCCCCOCC1CS1 7a_100011995726_100000031435 [0,0,0,1,0,0|2,1,0]=4 8104 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,0,0,1,0,0|2,0,0]=3 8105 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,0,0,1,0,0|2,0,0]=3 8106 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,0,0,1,0,0|3,0,0]=4 8107 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,0,0,1,0,0|3,0,0]=4 8108 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,0,0,1,0,0|2,0,0]=3 8109 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,0,0,1,0,0|2,0,0]=3 8110 B10R1.177 FCCCCSCC1CS1 62a_100000031435_100000729493 [0,0,0,1,0,0|2,1,0]=4 8111 B10R1.177 FCCCCSCC1CS1 62a_100000729493_100000031435 [0,0,0,1,0,0|2,1,0]=4 8112 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,0,0,1,0,0|2,0,0]=3 8113 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,0,0,1,0,0|2,0,0]=3 8114 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,0,0,1,0,0|3,0,0]=4 8115 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,0,0,1,0,0|3,0,0]=4 8116 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,0,0,1,0,0|3,0,0]=4 8117 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [0,0,0,1,0,0|2,0,0]=3 8118 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [0,0,0,1,0,0|2,0,0]=3 8119 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,0,0,1,0,0|3,0,0]=4 8120 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,0,0,1,0,0|3,0,0]=4 8121 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,0,0,1,0,0|3,0,0]=4 8122 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [0,0,0,1,0,0|2,0,0]=3 8123 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [0,0,0,1,0,0|2,0,0]=3 8124 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,0,0,1,0,0|3,0,0]=4 8125 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,0,0,1,0,0|3,0,0]=4 8126 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [0,0,0,1,0,0|2,0,0]=3 8127 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [0,0,0,1,0,0|2,0,0]=3 8128 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [0,0,0,1,0,0|2,0,0]=3 8129 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [0,0,0,1,0,0|2,0,0]=3 8130 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [0,0,0,1,0,0|2,0,0]=3 8131 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,0,0,1,0,0|3,0,0]=4 8132 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,0,0,1,0,0|3,0,0]=4 8133 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,0,0,1,0,0|2,0,0]=3 8134 B10R1.177 N#CCCCSCC1CO1 62a_100000687738_102125554688 [0,0,0,1,0,0|2,0,1]=4 8135 B10R1.177 N#CCCCSCC1CO1 62a_102125554688_100000687738 [0,0,0,1,0,0|2,0,1]=4 8136 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000687738_100000745022 [0,0,0,1,0,0|2,0,1]=4 8137 B10R1.177 N#CCCCSC[C@@H]1CO1 62a_100000745022_100000687738 [0,0,0,1,0,0|2,0,1]=4 8138 B10R1.177 N#CCCSCCC1CO1 62a_100000732470_100011215226 [0,0,0,1,0,0|2,0,1]=4 8139 B10R1.177 N#CCCSCCC1CO1 62a_100011215226_100000732470 [0,0,0,1,0,0|2,0,1]=4 8140 B10R1.177 N#CCSCCCC1CO1 62a_100000733510_100011215382 [0,0,0,1,0,0|2,0,1]=4 8141 B10R1.177 N#CCSCCCC1CO1 62a_100011215382_100000733510 [0,0,0,1,0,0|2,0,1]=4 8142 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|3,0,0]=4 8143 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|3,0,0]=4 8144 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,0]=3 8145 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,0,0,1,0,0|3,0,0]=4 8146 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,0,0,1,0,0|2,0,0]=3 8147 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,0,0,1,0,0|2,0,0]=3 8148 B10R1.177 NOCCOCCC1CO1 34a_100000700252_100000732470 [0,0,0,1,0,0|3,0,0]=4 8149 B10R1.177 O=CCCCSCC1CO1 62a_102125554688_200011292268 [0,0,0,1,0,0|2,0,1]=4 8150 B10R1.177 O=CCCCSCC1CO1 62a_200011292268_102125554688 [0,0,0,1,0,0|2,0,1]=4 8151 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_100000745022_200011292268 [0,0,0,1,0,0|2,0,1]=4 8152 B10R1.177 O=CCCCSC[C@@H]1CO1 62a_200011292268_100000745022 [0,0,0,1,0,0|2,0,1]=4 8153 B10R1.177 O=CCSCCCC1CO1 62a_100000733510_200015260668 [0,0,0,1,0,0|2,0,1]=4 8154 B10R1.177 O=CCSCCCC1CO1 62a_200015260668_100000733510 [0,0,0,1,0,0|2,0,1]=4 8155 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|3,0,0]=4 8156 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|3,0,0]=4 8157 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|3,0,0]=4 8158 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,0,0,1,0,0|3,0,0]=4 8159 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,0,0,1,0,0|3,0,0]=4 8160 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,0,0,1,0,0|3,0,0]=4 8161 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,0,0,1,0,0|3,0,0]=4 8162 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|3,0,0]=4 8163 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,0,0,1,0,0|2,0,0]=3 8164 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,0]=3 8165 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,0,0,1,0,0|3,0,0]=4 8166 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,0,0,1,0,0|2,0,0]=3 8167 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,0,0,1,0,0|3,0,0]=4 8168 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,0,0,1,0,0|3,0,0]=4 8169 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 8170 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,0,0,1,0,0|2,0,0]=3 8171 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [0,0,0,1,0,0|2,1,0]=4 8172 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [0,0,0,1,0,0|2,1,0]=4 8173 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,0,0,1,0,0|2,0,0]=3 8174 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,0,0,1,0,0|2,0,0]=3 8175 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,0,0,1,0,0|3,0,0]=4 8176 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,0,0,1,0,0|3,0,0]=4 8177 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,0,0,1,0,0|3,0,0]=4 8178 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,0,0,1,0,0|2,0,0]=3 8179 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,0,0,1,0,0|3,0,0]=4 8180 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,0,0,1,0,0|3,0,0]=4 8181 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,0,0,1,0,0|2,0,0]=3 8182 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,0,0,1,0,0|2,0,0]=3 8183 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,0,0,1,0,0|2,0,0]=3 8184 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,0,0,1,0,0|2,0,0]=3 8185 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,0,0,1,0,0|2,0,0]=3 8186 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,0,0,1,0,0|2,0,0]=3 8187 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|0,0,2]=3 8188 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|0,0,2]=3 8189 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 8190 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 8191 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 8192 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|1,0,2]=4 8193 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [0,0,0,1,0,0|2,0,0]=3 8194 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [0,0,0,1,0,0|2,0,0]=3 8195 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [0,0,0,1,0,0|2,0,0]=3 8196 B10R1.348 CC(C)N1CCCOCC1 2230a_100000685342_100000210206 [0,0,0,1,0,0|3,0,0]=4 8197 B10R1.348 CC(C)N1CCCOCC1 269982a_100000685342_100000210206 [0,0,0,1,0,0|3,0,0]=4 8198 B10R1.348 CC(C)N1CCCOCC1 34a_100000685342_100000210206 [0,0,0,1,0,0|3,0,0]=4 8199 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,0,0,1,0,0|2,0,0]=3 8200 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,0,0,1,0,0|2,0,0]=3 8201 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,0,0,1,0,0|2,0,0]=3 8202 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,0,0,1,0,0|2,0,0]=3 8203 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,0,0,1,0,0|2,0,0]=3 8204 B10R1.348 CN(C)C1CCCNCC1 270004a_100102631434_100015187895 [0,0,0,1,0,0|3,0,0]=4 8205 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,0,0,1,0,0|2,0,0]=3 8206 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,0,0,1,0,0|2,0,0]=3 8207 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,0,0,1,0,0|2,0,0]=3 8208 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|0,0,2]=3 8209 B10R1.375 CC1(CC1COCCF)C 34a_100000728257_100011217306 [0,0,0,1,0,0|3,0,0]=4 8210 B10R1.375 CC1(CC1COCCF)C 7a_100000728257_100011217306 [0,0,0,1,0,0|3,0,0]=4 8211 B10R1.375 CC1(CC1COCCO)C 34a_100000728257_100000211926 [0,0,0,1,0,0|3,0,0]=4 8212 B10R1.375 CC1(CC1COCCO)C 7a_100000728257_100000211926 [0,0,0,1,0,0|3,0,0]=4 8213 B10R1.375 CCCCNC1CC1(F)F 2230a_100020610826_100000210211 [0,0,0,1,0,0|3,0,0]=4 8214 B10R1.375 CCCCNC1CC1(F)F 34a_100020610826_100000210210 [0,0,0,1,0,0|3,0,0]=4 8215 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [0,0,0,1,0,0|2,0,0]=3 8216 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [0,0,0,1,0,0|2,0,0]=3 8217 B10R1.375 CCCOCC1CC1(F)F 34a_100000056500_100000210303 [0,0,0,1,0,0|3,0,0]=4 8218 B10R1.375 CCCOCC1CC1(F)F 34a_100000210258_100009817841 [0,0,0,1,0,0|3,0,0]=4 8219 B10R1.375 CCCOCC1CC1(F)F 7a_100000056500_100000210303 [0,0,0,1,0,0|3,0,0]=4 8220 B10R1.375 CCCOCC1OC1(C)C 34a_200010283642_100000210303 [0,0,0,1,0,0|3,0,0]=4 8221 B10R1.375 CCCOCC1OC1(C)C 7a_200010283642_100000210303 [0,0,0,1,0,0|3,0,0]=4 8222 B10R1.375 CCCSCC1CC1(F)F 62a_100000210303_100009817841 [0,0,0,1,0,0|3,0,0]=4 8223 B10R1.375 CCCSCC1CC1(F)F 62a_100009817841_100000210303 [0,0,0,1,0,0|3,0,0]=4 8224 B10R1.375 CCOCCC1CC1(F)F 34a_100009864177_100000210202 [0,0,0,1,0,0|3,0,0]=4 8225 B10R1.375 CCOCCC1CC1(F)F 7a_100009864177_100000210202 [0,0,0,1,0,0|3,0,0]=4 8226 B10R1.375 CSCOCC1CC1(C)C 34a_100000728257_100011218213 [0,0,0,1,0,0|3,0,0]=4 8227 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,0]=3 8228 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 8229 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,0]=3 8230 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 8231 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,0]=3 8232 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 8233 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,0]=3 8234 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 8235 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 8236 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 8237 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,0]=3 8238 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,0]=3 8239 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,0]=3 8240 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,0]=3 8241 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 8242 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 8243 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 8244 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 8245 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 8246 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 8247 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 8248 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 8249 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 8250 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 8251 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 8252 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 8253 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 8254 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 8255 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 8256 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 8257 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 8258 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 8259 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 8260 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 8261 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 8262 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 8263 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 8264 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 8265 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 8266 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 8267 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 8268 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 8269 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 8270 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 8271 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 8272 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 8273 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 8274 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 8275 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 8276 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 8277 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 8278 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 8279 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 8280 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,0]=3 8281 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,0]=3 8282 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 8283 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 8284 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,0]=3 8285 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 8286 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|2,0,0]=4 8287 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|2,0,0]=4 8288 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|2,0,0]=4 8289 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|2,0,0]=4 8290 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 8291 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 8292 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 8293 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 8294 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 8295 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 8296 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 8297 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 8298 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 8299 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 8300 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 8301 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 8302 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 8303 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 8304 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 8305 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 8306 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 8307 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|2,0,0]=4 8308 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|2,0,0]=4 8309 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 8310 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|2,0,0]=4 8311 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 8312 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 8313 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 8314 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|2,0,0]=4 8315 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 8316 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|2,0,0]=4 8317 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|2,0,0]=4 8318 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 8319 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|2,0,0]=4 8320 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|2,0,0]=4 8321 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 8322 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 8323 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,0]=3 8324 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,0]=3 8325 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|2,0,0]=4 8326 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|2,0,0]=4 8327 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 8328 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|2,0,0]=4 8329 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|2,0,0]=4 8330 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 8331 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 8332 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 8333 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|2,0,0]=4 8334 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|2,0,0]=4 8335 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 8336 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 8337 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 8338 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 8339 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 8340 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 8341 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 8342 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 8343 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 8344 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 8345 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 8346 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 8347 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 8348 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 8349 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 8350 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 8351 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 8352 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 8353 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 8354 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 8355 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 8356 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 8357 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 8358 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 8359 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 8360 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 8361 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 8362 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 8363 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 8364 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 8365 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 8366 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 8367 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 8368 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 8369 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 8370 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 8371 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 8372 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 8373 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 8374 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 8375 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 8376 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 8377 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 8378 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 8379 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 8380 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 8381 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 8382 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 8383 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 8384 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 8385 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 8386 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 8387 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 8388 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 8389 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 8390 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 8391 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,0]=3 8392 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 8393 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 8394 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 8395 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 8396 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 8397 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 8398 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 8399 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 8400 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 8401 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 8402 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 8403 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 8404 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 8405 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 8406 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 8407 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,0]=3 8408 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 8409 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 8410 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|2,0,0]=4 8411 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 8412 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 8413 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 8414 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 8415 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 8416 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 8417 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|2,0,0]=4 8418 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 8419 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 8420 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 8421 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 8422 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 8423 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 8424 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 8425 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 8426 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 8427 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|2,0,0]=4 8428 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|2,0,0]=4 8429 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|2,0,0]=4 8430 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 8431 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|2,0,0]=4 8432 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|2,0,0]=4 8433 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 8434 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|2,0,0]=4 8435 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|2,0,0]=4 8436 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|2,0,0]=4 8437 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|2,0,0]=4 8438 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|2,0,0]=4 8439 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 8440 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 8441 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|2,0,0]=4 8442 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|2,0,0]=4 8443 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 8444 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 8445 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 8446 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 8447 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,0]=3 8448 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,0]=3 8449 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 8450 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 8451 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|2,0,0]=4 8452 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|2,0,0]=4 8453 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|2,0,0]=4 8454 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 8455 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 8456 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 8457 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 8458 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|2,0,0]=4 8459 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|2,0,0]=4 8460 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [2,0,0,0,0,0|2,0,0]=4 8461 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [2,0,0,0,0,0|2,0,0]=4 8462 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 8463 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 8464 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 8465 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 8466 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|2,0,0]=4 8467 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 8468 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|2,0,0]=4 8469 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|2,0,0]=4 8470 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 8471 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|2,0,0]=4 8472 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|2,0,0]=4 8473 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|2,0,0]=4 8474 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|2,0,0]=4 8475 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 8476 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 8477 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 8478 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 8479 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 8480 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 8481 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 8482 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 8483 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|2,0,0]=4 8484 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 8485 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 8486 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 8487 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 8488 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|2,0,0]=4 8489 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 8490 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 8491 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 8492 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 8493 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 8494 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 8495 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 8496 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 8497 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 8498 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,0]=3 8499 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,0]=3 8500 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 8501 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 8502 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|2,0,0]=4 8503 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|2,0,0]=4 8504 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|2,0,0]=4 8505 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|2,0,0]=4 8506 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|2,0,0]=4 8507 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|2,0,0]=4 8508 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [2,0,0,0,0,0|1,0,0]=3 8509 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [2,0,0,0,0,0|1,0,0]=3 8510 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [2,0,0,0,0,0|2,0,0]=4 8511 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [2,0,0,0,0,0|2,0,0]=4 8512 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 8513 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 8514 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [2,0,0,0,0,0|2,0,0]=4 8515 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 8516 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [2,0,0,0,0,0|2,0,0]=4 8517 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 8518 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [2,0,0,0,0,0|2,0,0]=4 8519 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 8520 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [2,0,0,0,0,0|2,0,0]=4 8521 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [2,0,0,0,0,0|2,0,0]=4 8522 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [2,0,0,0,0,0|2,0,0]=4 8523 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 8524 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [2,0,0,0,0,0|2,0,0]=4 8525 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,2]=4 8526 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,2]=4 8527 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,2]=4 8528 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 8529 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|2,0,0]=4 8530 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 8531 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|2,0,0]=4 8532 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 8533 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 8534 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|2,0,0]=4 8535 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|2,0,0]=4 8536 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|2,0,0]=4 8537 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|2,0,0]=4 8538 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|2,0,0]=4 8539 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|2,0,0]=4 8540 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|2,0,0]=4 8541 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|2,0,0]=4 8542 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|2,0,0]=4 8543 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|2,0,0]=4 8544 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|2,0,0]=4 8545 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|2,0,0]=4 8546 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|1,0,0]=3 8547 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|1,0,0]=3 8548 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 8549 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|2,0,0]=4 8550 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|2,0,0]=4 8551 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|2,0,0]=4 8552 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|1,0,0]=3 8553 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 8554 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 8555 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|1,0,0]=3 8556 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|2,0,0]=4 8557 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|2,0,0]=4 8558 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|1,0,0]=3 8559 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|1,0,0]=3 8560 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|1,0,0]=3 8561 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|1,0,0]=3 8562 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|2,0,0]=4 8563 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|2,0,0]=4 8564 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|1,0,0]=3 8565 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|1,0,0]=3 8566 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|2,0,0]=4 8567 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|2,0,0]=4 8568 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|2,0,0]=4 8569 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|2,0,0]=4 8570 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,0]=3 8571 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|2,0,0]=4 8572 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|2,0,0]=4 8573 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|2,0,0]=4 8574 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,0,0]=3 8575 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,0,0]=3 8576 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|2,0,0]=4 8577 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|2,0,0]=4 8578 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|2,0,0]=4 8579 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|2,0,0]=4 8580 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|2,0,0]=4 8581 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [2,0,0,0,0,0|1,0,0]=3 8582 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [2,0,0,0,0,0|1,0,0]=3 8583 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [2,0,0,0,0,0|1,0,0]=3 8584 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|2,0,0]=4 8585 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|2,0,0]=4 8586 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|2,0,0]=4 8587 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|1,0,0]=3 8588 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [2,0,0,0,0,0|2,0,0]=4 8589 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [2,0,0,0,0,0|2,0,0]=4 8590 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [2,0,0,0,0,0|2,0,0]=4 8591 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [2,0,0,0,0,0|2,0,0]=4 8592 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [2,0,0,0,0,0|2,0,0]=4 8593 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|2,0,0]=4 8594 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|2,0,0]=4 8595 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [2,0,0,0,0,0|1,0,0]=3 8596 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [2,0,0,0,0,0|1,0,0]=3 8597 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [2,0,0,0,0,0|2,0,0]=4 8598 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [2,0,0,0,0,0|2,0,0]=4 8599 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [2,0,0,0,0,0|2,0,0]=4 8600 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [2,0,0,0,0,0|2,0,0]=4 8601 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [2,0,0,0,0,0|2,0,0]=4 8602 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [2,0,0,0,0,0|2,0,0]=4 8603 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [2,0,0,0,0,0|2,0,0]=4 8604 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [2,0,0,0,0,0|2,0,0]=4 8605 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [2,0,0,0,0,0|2,0,0]=4 8606 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 8607 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [2,0,0,0,0,0|2,0,0]=4 8608 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [2,0,0,0,0,0|2,0,0]=4 8609 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [2,0,0,0,0,0|2,0,0]=4 8610 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 8611 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [2,0,0,0,0,0|2,0,0]=4 8612 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [1,1,0,0,0,0|2,0,0]=4 8613 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 8614 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [1,1,0,0,0,0|2,0,0]=4 8615 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [1,1,0,0,0,0|2,0,0]=4 8616 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [1,1,0,0,0,0|2,0,0]=4 8617 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [1,1,0,0,0,0|2,0,0]=4 8618 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [1,1,0,0,0,0|2,0,0]=4 8619 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [1,1,0,0,0,0|2,0,0]=4 8620 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [1,1,0,0,0,0|2,0,0]=4 8621 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [1,1,0,0,0,0|2,0,0]=4 8622 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [1,1,0,0,0,0|2,0,0]=4 8623 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [1,1,0,0,0,0|2,0,0]=4 8624 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 8625 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,1]=3 8626 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,1]=3 8627 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,1]=4 8628 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,1]=4 8629 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,1]=4 8630 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 8631 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 8632 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 8633 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 8634 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,1]=4 8635 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 8636 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,1]=4 8637 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,1]=4 8638 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 8639 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 8640 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,0]=3 8641 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,0]=3 8642 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,0]=3 8643 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,0]=3 8644 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 8645 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 8646 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 8647 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 8648 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,1,0,0,0,0|2,0,0]=4 8649 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,0]=3 8650 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,0]=3 8651 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,0]=3 8652 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|2,0,0]=4 8653 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 8654 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 8655 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|2,0,0]=4 8656 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 8657 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 8658 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [1,1,0,0,0,0|2,0,0]=4 8659 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,1,0,0,0,0|2,0,0]=4 8660 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,1,0,0,0,0|2,0,0]=4 8661 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,0]=3 8662 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,0]=3 8663 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [1,1,0,0,0,0|2,0,0]=4 8664 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [1,1,0,0,0,0|2,0,0]=4 8665 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [1,1,0,0,0,0|2,0,0]=4 8666 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [1,1,0,0,0,0|2,0,0]=4 8667 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,1,0,0,0,0|2,0,0]=4 8668 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 8669 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,1,0,0,0,0|2,0,0]=4 8670 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 8671 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,0]=3 8672 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,0]=3 8673 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [1,1,0,0,0,0|2,0,0]=4 8674 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [1,1,0,0,0,0|2,0,0]=4 8675 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [1,1,0,0,0,0|2,0,0]=4 8676 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [1,1,0,0,0,0|2,0,0]=4 8677 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [1,1,0,0,0,0|2,0,0]=4 8678 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [1,1,0,0,0,0|2,0,0]=4 8679 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,1,0,0,0,0|2,0,0]=4 8680 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,1,0,0,0,0|2,0,0]=4 8681 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,1,0,0,0,0|2,0,0]=4 8682 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 8683 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 8684 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,1,0,0,0,0|2,0,0]=4 8685 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,0]=3 8686 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,0]=3 8687 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,1,0,0,0,0|2,0,0]=4 8688 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,1,0,0,0,0|2,0,0]=4 8689 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,1,0,0,0,0|2,0,0]=4 8690 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,1,0,0,0,0|2,0,0]=4 8691 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,1,0,0,0,0|2,0,0]=4 8692 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,1,0,0,0,0|2,0,0]=4 8693 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,1,0,0,0,0|2,0,0]=4 8694 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,1,0,0,0,0|2,0,0]=4 8695 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,1,0,0,0,0|2,0,0]=4 8696 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,0]=3 8697 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,0]=3 8698 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [1,1,0,0,0,0|2,0,0]=4 8699 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [1,1,0,0,0,0|2,0,0]=4 8700 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [1,1,0,0,0,0|2,0,0]=4 8701 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [1,1,0,0,0,0|2,0,0]=4 8702 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,1,0,0,0,0|2,0,0]=4 8703 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,1,0,0,0,0|2,0,0]=4 8704 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,1]=3 8705 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,1]=3 8706 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 8707 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,1]=3 8708 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,1]=3 8709 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 8710 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,1]=4 8711 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 8712 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 8713 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 8714 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,1]=4 8715 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,1]=4 8716 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,1]=4 8717 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,1]=4 8718 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,1]=4 8719 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 8720 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 8721 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 8722 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,0]=3 8723 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,0]=3 8724 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,0]=3 8725 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 8726 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,0]=3 8727 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 8728 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 8729 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 8730 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,0]=3 8731 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,0]=3 8732 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|2,0,0]=4 8733 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|2,0,0]=4 8734 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,0]=3 8735 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,0]=3 8736 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,0]=3 8737 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,0]=3 8738 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,0]=3 8739 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,0]=3 8740 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 8741 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 8742 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,0]=3 8743 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 8744 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 8745 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,0]=3 8746 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 8747 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 8748 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,1,0,0,0,0|2,0,0]=4 8749 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,1,0,0,0,0|2,0,0]=4 8750 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [1,1,0,0,0,0|2,0,0]=4 8751 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [1,1,0,0,0,0|2,0,0]=4 8752 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,0]=3 8753 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,0]=3 8754 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 8755 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 8756 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 8757 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 8758 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 8759 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 8760 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,1]=4 8761 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|1,0,0]=3 8762 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|1,0,0]=3 8763 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|1,0,0]=3 8764 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|1,0,0]=3 8765 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,0]=3 8766 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,0]=3 8767 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [1,1,0,0,0,0|2,0,0]=4 8768 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [1,1,0,0,0,0|2,0,0]=4 8769 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [1,1,0,0,0,0|2,0,0]=4 8770 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [1,1,0,0,0,0|2,0,0]=4 8771 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,0]=3 8772 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,0]=3 8773 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [1,1,0,0,0,0|2,0,0]=4 8774 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|2,0,0]=4 8775 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,0]=3 8776 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,0]=3 8777 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,0]=3 8778 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,0]=3 8779 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 8780 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 8781 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,1,0,0,0,0|2,0,0]=4 8782 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,1,0,0,0,0|2,0,0]=4 8783 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,1,0,0,0,0|2,0,0]=4 8784 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|1,0,0]=3 8785 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|1,0,0]=3 8786 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,0]=3 8787 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,0]=3 8788 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [1,1,0,0,0,0|2,0,0]=4 8789 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [1,1,0,0,0,0|2,0,0]=4 8790 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 8791 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 8792 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,0]=3 8793 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,0]=3 8794 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,0]=3 8795 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,0]=3 8796 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 8797 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 8798 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 8799 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 8800 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 8801 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 8802 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 8803 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 8804 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,0]=3 8805 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [1,1,0,0,0,0|2,0,0]=4 8806 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [1,1,0,0,0,0|2,0,0]=4 8807 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,1]=4 8808 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,1]=4 8809 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,0]=3 8810 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,0]=3 8811 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,0]=3 8812 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 8813 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [1,1,0,0,0,0|2,0,0]=4 8814 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [1,1,0,0,0,0|2,0,0]=4 8815 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,0]=3 8816 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,1]=4 8817 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,1]=4 8818 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,1]=4 8819 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|1,0,1]=4 8820 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,0]=3 8821 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,0]=3 8822 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [1,1,0,0,0,0|2,0,0]=4 8823 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [1,1,0,0,0,0|2,0,0]=4 8824 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [1,1,0,0,0,0|2,0,0]=4 8825 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,0]=3 8826 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,1,0,0,0,0|2,0,0]=4 8827 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 8828 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,0]=3 8829 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [1,1,0,0,0,0|2,0,0]=4 8830 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [1,1,0,0,0,0|2,0,0]=4 8831 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,1,0,0,0,0|2,0,0]=4 8832 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 8833 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 8834 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,1]=4 8835 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,1]=4 8836 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 8837 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 8838 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,1,0,0,0,0|2,0,0]=4 8839 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,1,0,0,0,0|2,0,0]=4 8840 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,1]=4 8841 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,1]=4 8842 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 8843 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 8844 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 8845 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 8846 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 8847 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 8848 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 8849 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 8850 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 8851 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 8852 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|1,0,1]=4 8853 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [1,1,0,0,0,0|2,0,0]=4 8854 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [1,1,0,0,0,0|2,0,0]=4 8855 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [1,1,0,0,0,0|2,0,0]=4 8856 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|2,0,0]=4 8857 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 8858 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 8859 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [1,1,0,0,0,0|2,0,0]=4 8860 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [1,1,0,0,0,0|2,0,0]=4 8861 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [1,1,0,0,0,0|2,0,0]=4 8862 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|1,0,1]=4 8863 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|1,0,1]=4 8864 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 8865 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 8866 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 8867 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 8868 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [1,1,0,0,0,0|2,0,0]=4 8869 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 8870 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 8871 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [1,1,0,0,0,0|2,0,0]=4 8872 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [1,1,0,0,0,0|2,0,0]=4 8873 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [1,1,0,0,0,0|2,0,0]=4 8874 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [1,1,0,0,0,0|2,0,0]=4 8875 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [1,1,0,0,0,0|2,0,0]=4 8876 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [1,1,0,0,0,0|2,0,0]=4 8877 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [1,1,0,0,0,0|2,0,0]=4 8878 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|2,0,0]=4 8879 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|1,0,1]=4 8880 B9R0.5 CSCC(C)NCCCO 270004a_100000182051_100011216314 [1,1,0,0,0,0|2,0,0]=4 8881 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|1,0,1]=4 8882 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [1,1,0,0,0,0|2,0,0]=4 8883 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [1,1,0,0,0,0|2,0,0]=4 8884 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [1,1,0,0,0,0|2,0,0]=4 8885 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 8886 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 8887 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [1,1,0,0,0,0|2,0,0]=4 8888 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [1,1,0,0,0,0|2,0,0]=4 8889 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [1,1,0,0,0,0|2,0,0]=4 8890 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [1,1,0,0,0,0|2,0,0]=4 8891 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 8892 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 8893 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 8894 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 8895 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,1]=4 8896 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|1,0,1]=4 8897 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,1]=4 8898 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,1]=4 8899 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|2,0,0]=4 8900 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 8901 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 8902 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,1]=3 8903 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 8904 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,1]=3 8905 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,1]=4 8906 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,1]=4 8907 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,1]=4 8908 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,1]=4 8909 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|1,0,1]=4 8910 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|1,0,1]=4 8911 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 8912 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 8913 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 8914 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 8915 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 8916 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 8917 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 8918 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 8919 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 8920 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 8921 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,0]=3 8922 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,0]=3 8923 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [1,1,0,0,0,0|2,0,0]=4 8924 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [1,1,0,0,0,0|2,0,0]=4 8925 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,0]=3 8926 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,0]=3 8927 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,0]=3 8928 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,0]=3 8929 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [1,1,0,0,0,0|2,0,0]=4 8930 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [1,1,0,0,0,0|2,0,0]=4 8931 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|2,0,0]=4 8932 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,0]=3 8933 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,0]=3 8934 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,0]=3 8935 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 8936 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 8937 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|2,0,0]=4 8938 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 8939 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 8940 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,1,0,0,0,0|2,0,0]=4 8941 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,0]=3 8942 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,0]=3 8943 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [1,1,0,0,0,0|2,0,0]=4 8944 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [1,1,0,0,0,0|2,0,0]=4 8945 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,0]=3 8946 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,0]=3 8947 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [1,1,0,0,0,0|2,0,0]=4 8948 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [1,1,0,0,0,0|2,0,0]=4 8949 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [1,1,0,0,0,0|2,0,0]=4 8950 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [1,1,0,0,0,0|2,0,0]=4 8951 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|1,0,0]=3 8952 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|1,0,0]=3 8953 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|1,0,0]=3 8954 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|1,0,0]=3 8955 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 8956 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 8957 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,0]=3 8958 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,0]=3 8959 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,0]=3 8960 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,0]=3 8961 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 8962 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [1,1,0,0,0,0|2,0,0]=4 8963 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 8964 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 8965 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [1,1,0,0,0,0|2,0,0]=4 8966 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 8967 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [1,1,0,0,0,0|2,0,0]=4 8968 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 8969 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [1,1,0,0,0,0|2,0,0]=4 8970 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 8971 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 8972 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|1,0,0]=3 8973 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|1,0,0]=3 8974 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 8975 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 8976 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,0]=3 8977 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [1,1,0,0,0,0|2,0,0]=4 8978 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [1,1,0,0,0,0|2,0,0]=4 8979 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [1,1,0,0,0,0|2,0,0]=4 8980 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [1,1,0,0,0,0|2,0,0]=4 8981 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 8982 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 8983 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 8984 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 8985 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 8986 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 8987 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 8988 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 8989 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 8990 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 8991 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 8992 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 8993 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 8994 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [1,1,0,0,0,0|2,0,0]=4 8995 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [1,1,0,0,0,0|2,0,0]=4 8996 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,1]=4 8997 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [1,1,0,0,0,0|2,0,0]=4 8998 B9R0.18 CN(CCCO)CCCF 2230a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 8999 B9R0.18 CN(CCCO)CCCF 269982a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 9000 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 9001 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [1,1,0,0,0,0|2,0,0]=4 9002 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 9003 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [1,1,0,0,0,0|2,0,0]=4 9004 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 9005 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|1,0,1]=4 9006 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [1,1,0,0,0,0|2,0,0]=4 9007 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [1,1,0,0,0,0|2,0,0]=4 9008 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [1,1,0,0,0,0|2,0,0]=4 9009 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [1,1,0,0,0,0|2,0,0]=4 9010 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [1,1,0,0,0,0|2,0,0]=4 9011 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|1,0,1]=4 9012 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [1,1,0,0,0,0|2,0,0]=4 9013 B9R0.18 CSCCN(C)CCCO 2230a_100000213112_100000751147 [1,1,0,0,0,0|2,0,0]=4 9014 B9R0.18 CSCCN(C)CCCO 2230a_100000686725_100000230001 [1,1,0,0,0,0|2,0,0]=4 9015 B9R0.18 CSCCN(C)CCCO 269982a_100000213112_100000212216 [1,1,0,0,0,0|2,0,0]=4 9016 B9R0.18 CSCCN(C)CCCO 269982a_100000686725_100011215043 [1,1,0,0,0,0|2,0,0]=4 9017 B9R0.18 C[C@H](CCCO)CNCF 34a_100160569302_100015361967 [1,1,0,0,0,0|2,0,0]=4 9018 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 9019 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 9020 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 9021 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,1,0,0,0,0|0,0,2]=4 9022 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,1,0,0,0,0|0,0,2]=4 9023 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,1,0,0,0,0|0,0,2]=4 9024 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,1,0,0,0,0|0,0,2]=4 9025 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,1,0,0,0,0|0,0,2]=4 9026 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,1,0,0,0,0|0,0,2]=4 9027 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,1,0,0,0,0|0,0,2]=4 9028 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,1,0,0,0,0|0,0,2]=4 9029 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,1,0,0,0,0|0,0,2]=4 9030 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,1,0,0,0,0|0,0,2]=4 9031 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,1,0,0,0,0|0,0,2]=4 9032 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,1,0,0,0,0|0,0,2]=4 9033 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,1,0,0,0,0|0,0,2]=4 9034 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,1,0,0,0,0|0,0,2]=4 9035 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,1,0,0,0,0|0,0,2]=4 9036 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,1,0,0,0,0|0,0,2]=4 9037 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,1,0,0,0,0|0,0,2]=4 9038 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,1,0,0,0,0|0,0,2]=4 9039 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,1,0,0,0,0|0,0,2]=4 9040 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,1,0,0,0,0|0,0,2]=4 9041 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [1,1,0,0,0,0|0,0,2]=4 9042 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [1,1,0,0,0,0|0,0,2]=4 9043 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [1,1,0,0,0,0|0,0,2]=4 9044 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [1,1,0,0,0,0|0,0,2]=4 9045 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,1,0,0,0,0|0,0,2]=4 9046 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,1,0,0,0,0|0,0,2]=4 9047 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,1,0,0,0,0|0,0,2]=4 9048 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [1,1,0,0,0,0|0,0,2]=4 9049 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [1,1,0,0,0,0|0,0,2]=4 9050 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,1,0,0,0,0|0,0,2]=4 9051 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,1,0,0,0,0|0,0,2]=4 9052 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [1,1,0,0,0,0|0,0,2]=4 9053 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [1,1,0,0,0,0|0,0,2]=4 9054 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,1,0,0,0,0|0,0,2]=4 9055 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,1,0,0,0,0|0,0,2]=4 9056 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,1,0,0,0,0|0,0,2]=4 9057 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [1,1,0,0,0,0|0,0,2]=4 9058 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,1,0,0,0,0|0,0,2]=4 9059 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,1,0,0,0,0|0,0,2]=4 9060 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,1,0,0,0,0|0,0,2]=4 9061 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,1,0,0,0,0|0,0,2]=4 9062 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [1,1,0,0,0,0|0,0,2]=4 9063 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [1,1,0,0,0,0|0,0,2]=4 9064 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,1,0,0,0,0|0,0,2]=4 9065 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,1,0,0,0,0|0,0,2]=4 9066 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [1,1,0,0,0,0|0,0,2]=4 9067 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [1,1,0,0,0,0|0,0,2]=4 9068 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,1,0,0,0,0|0,0,2]=4 9069 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,1,0,0,0,0|0,0,2]=4 9070 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [1,1,0,0,0,0|0,0,2]=4 9071 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [1,1,0,0,0,0|0,0,2]=4 9072 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [1,1,0,0,0,0|0,0,2]=4 9073 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,1,0,0,0,0|0,0,2]=4 9074 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,1,0,0,0,0|0,0,2]=4 9075 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,1,0,0,0,0|0,0,2]=4 9076 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [1,1,0,0,0,0|0,0,2]=4 9077 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,1,0,0,0,0|0,0,2]=4 9078 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,1,0,0,0,0|0,0,2]=4 9079 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [1,1,0,0,0,0|0,0,2]=4 9080 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [1,1,0,0,0,0|0,0,2]=4 9081 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,1,0,0,0,0|0,0,2]=4 9082 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,1,0,0,0,0|0,0,2]=4 9083 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [1,1,0,0,0,0|0,0,2]=4 9084 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [1,1,0,0,0,0|0,0,2]=4 9085 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [1,1,0,0,0,0|0,0,2]=4 9086 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,1,0,0,0,0|0,0,2]=4 9087 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,1,0,0,0,0|0,0,2]=4 9088 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,1,0,0,0,0|0,0,2]=4 9089 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [1,1,0,0,0,0|0,0,2]=4 9090 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,1,0,0,0,0|0,0,2]=4 9091 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [1,1,0,0,0,0|0,0,2]=4 9092 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,1,0,0,0,0|0,0,2]=4 9093 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,1,0,0,0,0|0,0,2]=4 9094 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,1,0,0,0,0|0,0,2]=4 9095 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,1,0,0,0,0|0,0,2]=4 9096 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,1,0,0,0,0|0,0,2]=4 9097 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,1,0,0,0,0|0,0,2]=4 9098 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,1,0,0,0,0|0,0,2]=4 9099 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,1,0,0,0,0|0,0,2]=4 9100 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,1,0,0,0,0|0,0,2]=4 9101 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,1,0,0,0,0|0,0,2]=4 9102 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,1,0,0,0,0|0,0,2]=4 9103 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,1,0,0,0,0|0,0,2]=4 9104 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,1,0,0,0,0|0,0,2]=4 9105 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,1,0,0,0,0|0,0,2]=4 9106 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,1,0,0,0,0|0,0,2]=4 9107 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,1,0,0,0,0|0,0,2]=4 9108 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,1,0,0,0,0|0,0,2]=4 9109 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,1,0,0,0,0|0,0,2]=4 9110 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,1,0,0,0,0|0,0,2]=4 9111 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,1,0,0,0,0|0,0,2]=4 9112 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,1,0,0,0,0|0,0,2]=4 9113 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,1,0,0,0,0|0,0,2]=4 9114 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,1,0,0,0,0|0,0,2]=4 9115 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,1,0,0,0,0|0,0,2]=4 9116 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|0,0,2]=4 9117 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|0,0,2]=4 9118 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|0,0,2]=4 9119 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,1,0,0,0,0|0,0,2]=4 9120 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,1,0,0,0,0|0,0,2]=4 9121 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,1,0,0,0,0|0,0,2]=4 9122 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,1,0,0,0,0|0,0,2]=4 9123 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,1,0,0,0,0|0,0,2]=4 9124 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,1,0,0,0,0|0,0,2]=4 9125 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,1,0,0,0,0|0,0,2]=4 9126 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,1,0,0,0,0|0,0,2]=4 9127 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,1,0,0,0,0|0,0,2]=4 9128 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,1,0,0,0,0|0,0,2]=4 9129 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,1,0,0,0,0|0,0,2]=4 9130 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,1,0,0,0,0|0,0,2]=4 9131 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,1,0,0,0,0|0,0,2]=4 9132 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,1,0,0,0,0|0,0,2]=4 9133 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,1,0,0,0,0|0,0,2]=4 9134 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,1,0,0,0,0|0,0,2]=4 9135 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,1,0,0,0,0|0,0,2]=4 9136 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,1,0,0,0,0|0,0,2]=4 9137 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,1,0,0,0,0|0,0,2]=4 9138 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,1,0,0,0,0|0,0,2]=4 9139 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,1,0,0,0,0|0,0,2]=4 9140 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,1,0,0,0,0|0,0,2]=4 9141 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,1,0,0,0,0|0,0,2]=4 9142 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,1,0,0,0,0|0,0,2]=4 9143 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,1,0,0,0,0|0,0,2]=4 9144 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,1,0,0,0,0|0,0,2]=4 9145 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,1,0,0,0,0|0,0,2]=4 9146 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,1,0,0,0,0|0,0,2]=4 9147 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,1,0,0,0,0|0,0,2]=4 9148 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,1,0,0,0,0|0,0,2]=4 9149 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,1,0,0,0,0|0,0,2]=4 9150 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,1,0,0,0,0|0,0,2]=4 9151 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,1,0,0,0,0|0,0,2]=4 9152 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,1,0,0,0,0|0,0,2]=4 9153 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,1,0,0,0,0|0,0,2]=4 9154 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,1,0,0,0,0|0,0,2]=4 9155 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,1,0,0,0,0|0,0,2]=4 9156 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,1,0,0,0,0|0,0,2]=4 9157 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,1,0,0,0,0|0,0,2]=4 9158 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,1,0,0,0,0|0,0,2]=4 9159 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,1,0,0,0,0|0,0,2]=4 9160 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,1,0,0,0,0|0,0,2]=4 9161 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,1,0,0,0,0|0,0,2]=4 9162 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,1,0,0,0,0|0,0,2]=4 9163 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,1,0,0,0,0|0,0,2]=4 9164 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,1,0,0,0,0|0,0,2]=4 9165 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,1,0,0,0,0|0,0,2]=4 9166 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,1,0,0,0,0|0,0,2]=4 9167 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,1,0,0,0,0|0,0,2]=4 9168 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,1,0,0,0,0|0,0,2]=4 9169 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,1,0,0,0,0|0,0,2]=4 9170 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|0,0,2]=4 9171 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|0,0,2]=4 9172 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|0,0,2]=4 9173 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,1,0,0,0,0|0,0,2]=4 9174 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,1,0,0,0,0|0,0,2]=4 9175 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,1,0,0,0,0|0,0,2]=4 9176 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,1,0,0,0,0|0,0,2]=4 9177 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,1,0,0,0,0|0,0,2]=4 9178 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,1,0,0,0,0|0,0,2]=4 9179 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [1,1,0,0,0,0|0,0,2]=4 9180 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,1,0,0,0,0|0,0,2]=4 9181 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,1,0,0,0,0|0,0,2]=4 9182 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,1,0,0,0,0|0,0,2]=4 9183 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [1,1,0,0,0,0|0,0,2]=4 9184 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [1,1,0,0,0,0|0,0,2]=4 9185 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [1,1,0,0,0,0|0,0,2]=4 9186 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [1,1,0,0,0,0|0,0,2]=4 9187 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,1,0,0,0,0|0,0,2]=4 9188 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,1,0,0,0,0|0,0,2]=4 9189 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,1,0,0,0,0|0,0,2]=4 9190 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [1,1,0,0,0,0|0,0,2]=4 9191 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,1,0,0,0,0|0,0,2]=4 9192 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,1,0,0,0,0|0,0,2]=4 9193 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [1,1,0,0,0,0|0,0,2]=4 9194 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [1,1,0,0,0,0|0,0,2]=4 9195 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,1,0,0,0,0|0,0,2]=4 9196 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,1,0,0,0,0|0,0,2]=4 9197 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|0,0,2]=4 9198 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|0,0,2]=4 9199 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|0,0,2]=4 9200 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|0,0,2]=4 9201 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,1,0,0,0,0|0,0,2]=4 9202 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,1,0,0,0,0|0,0,2]=4 9203 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,1,0,0,0,0|0,0,2]=4 9204 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,1,0,0,0,0|0,0,2]=4 9205 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,1,0,0,0,0|0,0,2]=4 9206 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,1,0,0,0,0|0,0,2]=4 9207 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,1,0,0,0,0|0,0,2]=4 9208 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,1,0,0,0,0|0,0,2]=4 9209 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,1,0,0,0,0|0,0,2]=4 9210 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,1,0,0,0,0|0,0,2]=4 9211 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,1,0,0,0,0|0,0,2]=4 9212 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,1,0,0,0,0|0,0,2]=4 9213 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,1,0,0,0,0|0,0,2]=4 9214 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,1,0,0,0,0|0,0,2]=4 9215 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,1,0,0,0,0|0,0,2]=4 9216 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,1,0,0,0,0|0,0,2]=4 9217 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,1,0,0,0,0|0,0,2]=4 9218 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,1,0,0,0,0|0,0,2]=4 9219 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,1,0,0,0,0|0,0,2]=4 9220 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,1,0,0,0,0|0,0,2]=4 9221 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,1,0,0,0,0|0,0,2]=4 9222 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,1,0,0,0,0|0,0,2]=4 9223 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,1,0,0,0,0|0,0,2]=4 9224 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,1,0,0,0,0|0,0,2]=4 9225 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,1,0,0,0,0|0,0,2]=4 9226 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,1,0,0,0,0|0,0,2]=4 9227 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,1,0,0,0,0|0,0,2]=4 9228 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,1,0,0,0,0|0,0,2]=4 9229 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,1,0,0,0,0|0,0,2]=4 9230 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,1,0,0,0,0|0,0,2]=4 9231 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,1,0,0,0,0|0,0,2]=4 9232 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,1,0,0,0,0|0,0,2]=4 9233 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,1,0,0,0,0|0,0,2]=4 9234 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,1,0,0,0,0|0,0,2]=4 9235 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [1,1,0,0,0,0|0,0,2]=4 9236 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [1,1,0,0,0,0|0,0,2]=4 9237 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,1,0,0,0,0|0,0,2]=4 9238 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,1,0,0,0,0|0,0,2]=4 9239 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,1,0,0,0,0|0,0,2]=4 9240 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,1,0,0,0,0|0,0,2]=4 9241 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,1,0,0,0,0|0,0,2]=4 9242 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [1,1,0,0,0,0|0,0,2]=4 9243 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,1,0,0,0,0|0,0,2]=4 9244 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,1,0,0,0,0|0,0,2]=4 9245 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [1,1,0,0,0,0|0,0,2]=4 9246 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [1,1,0,0,0,0|0,0,2]=4 9247 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,1,0,0,0,0|0,0,2]=4 9248 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,1,0,0,0,0|0,0,2]=4 9249 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [1,1,0,0,0,0|0,0,2]=4 9250 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [1,1,0,0,0,0|0,0,2]=4 9251 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,1,0,0,0,0|1,0,1]=4 9252 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,1,0,0,0,0|0,0,2]=4 9253 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,1,0,0,0,0|0,0,2]=4 9254 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [1,1,0,0,0,0|0,0,2]=4 9255 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [1,1,0,0,0,0|0,0,2]=4 9256 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [1,1,0,0,0,0|0,0,2]=4 9257 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [1,1,0,0,0,0|0,0,2]=4 9258 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,1,0,0,0,0|0,0,2]=4 9259 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,1,0,0,0,0|0,0,2]=4 9260 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,1,0,0,0,0|0,0,2]=4 9261 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,1,0,0,0,0|0,0,2]=4 9262 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,1,0,0,0,0|0,0,2]=4 9263 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,1,0,0,0,0|0,0,2]=4 9264 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,1,0,0,0,0|1,0,1]=4 9265 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [1,1,0,0,0,0|0,0,2]=4 9266 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [1,1,0,0,0,0|0,0,2]=4 9267 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [1,1,0,0,0,0|0,0,2]=4 9268 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [1,1,0,0,0,0|0,0,2]=4 9269 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,1,0,0,0,0|0,0,2]=4 9270 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,1,0,0,0,0|0,0,2]=4 9271 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|0,0,2]=4 9272 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|0,0,2]=4 9273 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|0,0,2]=4 9274 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|0,0,2]=4 9275 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [1,1,0,0,0,0|1,0,1]=4 9276 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [1,1,0,0,0,0|1,0,1]=4 9277 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,1,0,0,0,0|0,0,2]=4 9278 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,1,0,0,0,0|0,0,2]=4 9279 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,1,0,0,0,0|0,0,2]=4 9280 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,1,0,0,0,0|0,0,2]=4 9281 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,1,0,0,0,0|0,0,2]=4 9282 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,1,0,0,0,0|0,0,2]=4 9283 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,1,0,0,0,0|0,0,2]=4 9284 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,1,0,0,0,0|0,0,2]=4 9285 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,1,0,0,0,0|0,0,2]=4 9286 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,1,0,0,0,0|0,0,2]=4 9287 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,1,0,0,0,0|0,0,2]=4 9288 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,1,0,0,0,0|0,0,2]=4 9289 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,1,0,0,0,0|1,0,1]=4 9290 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,1,0,0,0,0|0,0,0]=2 9291 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,1,0,0,0,0|0,0,0]=2 9292 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,1,0,0,0,0|0,0,0]=2 9293 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,1,0,0,0,0|0,0,0]=2 9294 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,1,0,0,0,0|0,0,0]=2 9295 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,1,0,0,0,0|0,0,0]=2 9296 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,1,0,0,0,0|0,0,0]=2 9297 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,1,0,0,0,0|0,0,0]=2 9298 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,1,0,0,0,0|0,0,0]=2 9299 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,1,0,0,0,0|0,0,0]=2 9300 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,1,0,0,0,0|0,0,0]=2 9301 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,1,0,0,0,0|0,0,0]=2 9302 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,1,0,0,0,0|0,0,0]=2 9303 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,1,0,0,0,0|0,0,0]=2 9304 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,1,0,0,0,0|0,0,0]=2 9305 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,1,0,0,0,0|0,0,0]=2 9306 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,1,0,0,0,0|0,0,0]=2 9307 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,1,0,0,0,0|0,0,0]=2 9308 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,1,0,0,0,0|0,0,0]=2 9309 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,1,0,0,0,0|0,0,0]=2 9310 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,1,0,0,0,0|0,0,0]=2 9311 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,1,0,0,0,0|1,0,0]=3 9312 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,1,0,0,0,0|1,0,0]=3 9313 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,1,0,0,0,0|0,0,0]=2 9314 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,1,0,0,0,0|0,0,0]=2 9315 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,1,0,0,0,0|1,0,0]=3 9316 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,1,0,0,0,0|1,0,0]=3 9317 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,1,0,0,0,0|1,0,1]=4 9318 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,1,0,0,0,0|0,0,2]=4 9319 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,1,0,0,0,0|0,0,0]=2 9320 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,1,0,0,0,0|1,0,0]=3 9321 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,1,0,0,0,0|1,0,0]=3 9322 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,1,0,0,0,0|0,0,0]=2 9323 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,1,0,0,0,0|0,0,0]=2 9324 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,1,0,0,0,0|0,0,0]=2 9325 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,1,0,0,0,0|1,0,0]=3 9326 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,1,0,0,0,0|1,0,0]=3 9327 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,1,0,0,0,0|1,0,1]=4 9328 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 9329 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 9330 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,1,0,0,0,0|1,0,0]=3 9331 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,1,0,0,0,0|0,0,0]=2 9332 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,1,0,0,0,0|0,0,0]=2 9333 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,1,0,0,0,0|0,0,0]=2 9334 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,1,0,0,0,0|1,0,0]=3 9335 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,1,0,0,0,0|1,0,0]=3 9336 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,1,0,0,0,0|1,0,0]=3 9337 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,1,0,0,0,0|0,0,0]=2 9338 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,1,0,0,0,0|0,0,0]=2 9339 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,1,0,0,0,0|1,0,0]=3 9340 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,1,0,0,0,0|1,0,1]=4 9341 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,1,0,0,0,0|1,0,1]=4 9342 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,1,0,0,0,0|0,0,2]=4 9343 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,1,0,0,0,0|0,0,2]=4 9344 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,1,0,0,0,0|0,0,0]=2 9345 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,1,0,0,0,0|0,0,0]=2 9346 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,1,0,0,0,0|1,0,0]=3 9347 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,1,0,0,0,0|1,0,0]=3 9348 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,1,0,0,0,0|0,0,0]=2 9349 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,1,0,0,0,0|0,0,0]=2 9350 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,1,0,0,0,0|1,0,0]=3 9351 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,1,0,0,0,0|1,0,0]=3 9352 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,1,0,0,0,0|1,0,0]=3 9353 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,1,0,0,0,0|1,0,0]=3 9354 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,1,0,0,0,0|1,0,1]=4 9355 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,1,0,0,0,0|0,0,0]=2 9356 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,1,0,0,0,0|0,0,0]=2 9357 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,1,0,0,0,0|0,0,0]=2 9358 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,1,0,0,0,0|1,0,0]=3 9359 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,1,0,0,0,0|1,0,0]=3 9360 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,1,0,0,0,0|1,0,0]=3 9361 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,1,0,0,0,0|0,0,0]=2 9362 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,1,0,0,0,0|1,0,0]=3 9363 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,1,0,0,0,0|1,0,0]=3 9364 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 9365 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 9366 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,1,0,0,0,0|1,0,0]=3 9367 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,1,0,0,0,0|1,0,0]=3 9368 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,1,0,0,0,0|1,0,1]=4 9369 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,1,0,0,0,0|1,0,0]=3 9370 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,1,0,0,0,0|0,0,0]=2 9371 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,1,0,0,0,0|0,0,0]=2 9372 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,1,0,0,0,0|0,0,0]=2 9373 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,1,0,0,0,0|0,0,0]=2 9374 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,1,0,0,0,0|1,0,0]=3 9375 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,1,0,0,0,0|1,0,0]=3 9376 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,1,0,0,0,0|1,0,0]=3 9377 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,1,0,0,0,0|1,0,0]=3 9378 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,1,0,0,0,0|1,0,0]=3 9379 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,1,0,0,0,0|0,0,0]=2 9380 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,1,0,0,0,0|0,0,0]=2 9381 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,1,0,0,0,0|1,0,0]=3 9382 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,1,0,0,0,0|1,0,0]=3 9383 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,1,0,0,0,0|1,0,0]=3 9384 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,1,0,0,0,0|1,0,0]=3 9385 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,1,0,0,0,0|1,0,0]=3 9386 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,1,0,0,0,0|1,0,0]=3 9387 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,1,0,0,0,0|1,0,0]=3 9388 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,1,0,0,0,0|1,0,0]=3 9389 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,1,0,0,0,0|1,0,0]=3 9390 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,1,0,0,0,0|1,0,0]=3 9391 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,1,0,0,0,0|1,0,0]=3 9392 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,1,0,0,0,0|1,0,0]=3 9393 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,1,0,0,0,0|1,0,1]=4 9394 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,1,0,0,0,0|1,0,1]=4 9395 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,1,0,0,0,0|0,0,0]=2 9396 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,1,0,0,0,0|0,0,0]=2 9397 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,1,0,0,0,0|1,0,0]=3 9398 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,1,0,0,0,0|1,0,0]=3 9399 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,1,0,0,0,0|0,0,0]=2 9400 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,1,0,0,0,0|0,0,0]=2 9401 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,1,0,0,0,0|1,0,0]=3 9402 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,1,0,0,0,0|1,0,0]=3 9403 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,1,0,0,0,0|1,0,0]=3 9404 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,1,0,0,0,0|1,0,0]=3 9405 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,1,0,0,0,0|1,0,0]=3 9406 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,1,0,0,0,0|1,0,0]=3 9407 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [1,1,0,0,0,0|0,0,2]=4 9408 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [1,1,0,0,0,0|0,0,2]=4 9409 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,1,0,0,0,0|1,0,1]=4 9410 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,1,0,0,0,0|1,0,1]=4 9411 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,1,0,0,0,0|0,0,2]=4 9412 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,1,0,0,0,0|0,0,2]=4 9413 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,1,0,0,0,0|1,0,0]=3 9414 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,1,0,0,0,0|1,0,0]=3 9415 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,1,0,0,0,0|0,0,0]=2 9416 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,1,0,0,0,0|0,0,0]=2 9417 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,1,0,0,0,0|0,0,0]=2 9418 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,1,0,0,0,0|0,0,0]=2 9419 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,1,0,0,0,0|1,0,0]=3 9420 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,1,0,0,0,0|1,0,0]=3 9421 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,1,0,0,0,0|1,0,0]=3 9422 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,1,0,0,0,0|1,0,0]=3 9423 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,1,0,0,0,0|1,0,0]=3 9424 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,1,0,0,0,0|1,0,0]=3 9425 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,1,0,0,0,0|1,0,0]=3 9426 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,1,0,0,0,0|1,0,0]=3 9427 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,1,0,0,0,0|1,0,0]=3 9428 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,1,0,0,0,0|1,0,0]=3 9429 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,1,0,0,0,0|1,0,0]=3 9430 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [1,1,0,0,0,0|0,0,2]=4 9431 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [1,1,0,0,0,0|0,0,2]=4 9432 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,1,0,0,0,0|1,0,1]=4 9433 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,1,0,0,0,0|0,0,2]=4 9434 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,1,0,0,0,0|1,0,0]=3 9435 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,1,0,0,0,0|1,0,0]=3 9436 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,1,0,0,0,0|1,0,0]=3 9437 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,1,0,0,0,0|1,0,0]=3 9438 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,1,0,0,0,0|1,0,0]=3 9439 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,1,0,0,0,0|1,0,0]=3 9440 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,1,0,0,0,0|1,0,0]=3 9441 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,1,0,0,0,0|1,0,0]=3 9442 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,1,0,0,0,0|1,0,0]=3 9443 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,1,0,0,0,0|0,0,0]=2 9444 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,1,0,0,0,0|0,0,0]=2 9445 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,1,0,0,0,0|1,0,0]=3 9446 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,1,0,0,0,0|1,0,0]=3 9447 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,1,0,0,0,0|1,0,0]=3 9448 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,1,0,0,0,0|1,0,0]=3 9449 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,1,0,0,0,0|1,0,0]=3 9450 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,1,0,0,0,0|1,0,0]=3 9451 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,1,0,0,0,0|1,0,0]=3 9452 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,1,0,0,0,0|1,0,0]=3 9453 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,1,0,0,0,0|1,0,0]=3 9454 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,1,0,0,0,0|1,0,0]=3 9455 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,1,0,0,0,0|1,0,0]=3 9456 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,1,0,0,0,0|1,0,0]=3 9457 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,1,0,0,0,0|1,0,0]=3 9458 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,1,0,0,0,0|1,0,0]=3 9459 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,1,0,0,0,0|1,0,0]=3 9460 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,1,0,0,0,0|1,0,0]=3 9461 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,1,0,0,0,0|1,0,0]=3 9462 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,1,0,0,0,0|1,0,0]=3 9463 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,1,0,0,0,0|1,0,0]=3 9464 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,1,0,0,0,0|1,0,0]=3 9465 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,1,0,0,0,0|1,0,0]=3 9466 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,1,0,0,0,0|1,0,0]=3 9467 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,1,0,0,0,0|2,0,0]=4 9468 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,1,0,0,0,0|2,0,0]=4 9469 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,1,0,0,0,0|1,0,0]=3 9470 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,1,0,0,0,0|1,0,0]=3 9471 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,1,0,0,0,0|1,0,0]=3 9472 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,1,0,0,0,0|1,0,0]=3 9473 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,1,0,0,0,0|1,0,0]=3 9474 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,1,0,0,0,0|1,0,0]=3 9475 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,1,0,0,0,0|2,0,0]=4 9476 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,1,0,0,0,0|2,0,0]=4 9477 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,1,0,0,0,0|2,0,0]=4 9478 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,1,0,0,0,0|1,0,0]=3 9479 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,1,0,0,0,0|1,0,0]=3 9480 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,1,0,0,0,0|2,0,0]=4 9481 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,1,0,0,0,0|1,0,0]=3 9482 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,1,0,0,0,0|2,0,0]=4 9483 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,1,0,0,0,0|1,0,0]=3 9484 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,1,0,0,0,0|1,0,0]=3 9485 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,1,0,0,0,0|2,0,0]=4 9486 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,1,0,0,0,0|2,0,0]=4 9487 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,1,0,0,0,0|1,0,0]=3 9488 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,1,0,0,0,0|1,0,0]=3 9489 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,1,0,0,0,0|2,0,0]=4 9490 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,1,0,0,0,0|2,0,0]=4 9491 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [1,1,0,0,0,0|2,0,0]=4 9492 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [1,1,0,0,0,0|2,0,0]=4 9493 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [1,1,0,0,0,0|0,0,2]=4 9494 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [1,1,0,0,0,0|0,0,2]=4 9495 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,1,0,0,0,0|1,0,1]=4 9496 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,1,0,0,0,0|1,0,1]=4 9497 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,1,0,0,0,0|0,0,2]=4 9498 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,1,0,0,0,0|0,0,2]=4 9499 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,1,0,0,0,0|1,0,0]=3 9500 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,1,0,0,0,0|1,0,0]=3 9501 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,1,0,0,0,0|0,0,0]=2 9502 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,1,0,0,0,0|0,0,0]=2 9503 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,1,0,0,0,0|1,0,0]=3 9504 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,1,0,0,0,0|1,0,0]=3 9505 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,1,0,0,0,0|1,0,0]=3 9506 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,1,0,0,0,0|1,0,0]=3 9507 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,1,0,0,0,0|1,0,0]=3 9508 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,1,0,0,0,0|1,0,0]=3 9509 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,1,0,0,0,0|1,0,0]=3 9510 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,1,0,0,0,0|2,0,0]=4 9511 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,1,0,0,0,0|2,0,0]=4 9512 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,1,0,0,0,0|1,0,0]=3 9513 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,1,0,0,0,0|1,0,0]=3 9514 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,1,0,0,0,0|0,0,0]=2 9515 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,1,0,0,0,0|0,0,0]=2 9516 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,1,0,0,0,0|1,0,0]=3 9517 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,1,0,0,0,0|1,0,0]=3 9518 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,1,0,0,0,0|1,0,0]=3 9519 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,1,0,0,0,0|1,0,0]=3 9520 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,1,0,0,0,0|1,0,0]=3 9521 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,1,0,0,0,0|1,0,0]=3 9522 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,1,0,0,0,0|1,0,0]=3 9523 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,1,0,0,0,0|1,0,0]=3 9524 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,1,0,0,0,0|1,0,0]=3 9525 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,1,0,0,0,0|1,0,0]=3 9526 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,1,0,0,0,0|1,0,0]=3 9527 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,1,0,0,0,0|1,0,0]=3 9528 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,1,0,0,0,0|1,0,0]=3 9529 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,1,0,0,0,0|1,0,0]=3 9530 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,1,0,0,0,0|1,0,0]=3 9531 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,1,0,0,0,0|1,0,0]=3 9532 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,1,0,0,0,0|0,0,0]=2 9533 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,1,0,0,0,0|1,0,0]=3 9534 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,1,0,0,0,0|1,0,0]=3 9535 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,1,0,0,0,0|1,0,0]=3 9536 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,1,0,0,0,0|1,0,0]=3 9537 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,1,0,0,0,0|1,0,0]=3 9538 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,1,0,0,0,0|1,0,0]=3 9539 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,1,0,0,0,0|2,0,0]=4 9540 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,1,0,0,0,0|1,0,0]=3 9541 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,1,0,0,0,0|1,0,0]=3 9542 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,1,0,0,0,0|1,0,0]=3 9543 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,1,0,0,0,0|1,0,0]=3 9544 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,1,0,0,0,0|1,0,0]=3 9545 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,1,0,0,0,0|2,0,0]=4 9546 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,1,0,0,0,0|2,0,0]=4 9547 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,1,0,0,0,0|2,0,0]=4 9548 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,1,0,0,0,0|1,0,0]=3 9549 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,1,0,0,0,0|1,0,0]=3 9550 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,1,0,0,0,0|1,0,0]=3 9551 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,1,0,0,0,0|1,0,0]=3 9552 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,1,0,0,0,0|2,0,0]=4 9553 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [1,1,0,0,0,0|2,0,0]=4 9554 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [1,1,0,0,0,0|2,0,0]=4 9555 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,1,0,0,0,0|2,0,0]=4 9556 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,1,0,0,0,0|2,0,0]=4 9557 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,1,0,0,0,0|2,0,0]=4 9558 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,1,0,0,0,0|1,0,0]=3 9559 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,1,0,0,0,0|1,0,0]=3 9560 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,1,0,0,0,0|1,0,0]=3 9561 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 9562 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 9563 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,1,0,0,0,0|2,0,0]=4 9564 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,1,0,0,0,0|2,0,0]=4 9565 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,1,0,0,0,0|2,0,0]=4 9566 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,1,0,0,0,0|2,0,0]=4 9567 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,1,0,0,0,0|2,0,0]=4 9568 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,1,0,0,0,0|2,0,0]=4 9569 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,1,0,0,0,0|2,0,0]=4 9570 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,1,0,0,0,0|2,0,0]=4 9571 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,1,0,0,0,0|1,0,0]=3 9572 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,1,0,0,0,0|1,0,0]=3 9573 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,1,0,0,0,0|1,0,0]=3 9574 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,1,0,0,0,0|2,0,0]=4 9575 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,1,0,0,0,0|1,0,0]=3 9576 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,1,0,0,0,0|1,0,0]=3 9577 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,1,0,0,0,0|1,0,0]=3 9578 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,1,0,0,0,0|1,0,0]=3 9579 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,1,0,0,0,0|2,0,0]=4 9580 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,1,0,0,0,0|2,0,0]=4 9581 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,1,0,0,0,0|1,0,0]=3 9582 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,1,0,0,0,0|1,0,0]=3 9583 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,1,0,0,0,0|2,0,0]=4 9584 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,1,0,0,0,0|2,0,0]=4 9585 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [1,1,0,0,0,0|2,0,0]=4 9586 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [1,1,0,0,0,0|2,0,0]=4 9587 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,1,0,0,0,0|1,0,1]=4 9588 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,1,0,0,0,0|1,0,1]=4 9589 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,1,0,0,0,0|0,0,2]=4 9590 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,1,0,0,0,0|0,0,2]=4 9591 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,1,0,0,0,0|1,0,0]=3 9592 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,1,0,0,0,0|1,0,0]=3 9593 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,1,0,0,0,0|0,0,0]=2 9594 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,1,0,0,0,0|0,0,0]=2 9595 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,1,0,0,0,0|1,0,0]=3 9596 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,1,0,0,0,0|1,0,0]=3 9597 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,1,0,0,0,0|1,0,0]=3 9598 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,1,0,0,0,0|1,0,0]=3 9599 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [1,1,0,0,0,0|2,0,0]=4 9600 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,1,0,0,0,0|1,0,0]=3 9601 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [1,1,0,0,0,0|2,0,0]=4 9602 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [1,1,0,0,0,0|2,0,0]=4 9603 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,1,0,0,0,0|2,0,0]=4 9604 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,1,0,0,0,0|2,0,0]=4 9605 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,1,0,0,0,0|1,0,0]=3 9606 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,1,0,0,0,0|1,0,0]=3 9607 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,1,0,0,0,0|1,0,0]=3 9608 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,1,0,0,0,0|1,0,0]=3 9609 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [1,1,0,0,0,0|2,0,0]=4 9610 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [1,1,0,0,0,0|2,0,0]=4 9611 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [1,1,0,0,0,0|2,0,0]=4 9612 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,1,0,0,0,0|1,0,1]=4 9613 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,1,0,0,0,0|0,0,2]=4 9614 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,1,0,0,0,0|1,0,0]=3 9615 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,1,0,0,0,0|0,0,0]=2 9616 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,1,0,0,0,0|0,0,0]=2 9617 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,1,0,0,0,0|0,0,0]=2 9618 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,1,0,0,0,0|1,0,0]=3 9619 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,1,0,0,0,0|1,0,0]=3 9620 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,1,0,0,0,0|2,0,0]=4 9621 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,1,0,0,0,0|2,0,0]=4 9622 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,1,0,0,0,0|2,0,0]=4 9623 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [1,1,0,0,0,0|1,0,1]=4 9624 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,1,0,0,0,0|1,0,0]=3 9625 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,1,0,0,0,0|1,0,0]=3 9626 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 9627 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 9628 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,1,0,0,0,0|1,0,0]=3 9629 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,1,0,0,0,0|1,0,0]=3 9630 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,1,0,0,0,0|1,0,0]=3 9631 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,1,0,0,0,0|1,0,0]=3 9632 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,1,0,0,0,0|0,0,0]=2 9633 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,1,0,0,0,0|1,0,0]=3 9634 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,1,0,0,0,0|2,0,0]=4 9635 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,1,0,0,0,0|2,0,0]=4 9636 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,1,0,0,0,0|2,0,0]=4 9637 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,1,0,0,0,0|1,0,0]=3 9638 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,1,0,0,0,0|1,0,0]=3 9639 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,1,0,0,0,0|1,0,0]=3 9640 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,1,0,0,0,0|1,0,0]=3 9641 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,1,0,0,0,0|2,0,0]=4 9642 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,1,0,0,0,0|2,0,0]=4 9643 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,1,0,0,0,0|2,0,0]=4 9644 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,1,0,0,0,0|2,0,0]=4 9645 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,1,0,0,0,0|2,0,0]=4 9646 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,1,0,0,0,0|2,0,0]=4 9647 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,1,0,0,0,0|2,0,0]=4 9648 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,1,0,0,0,0|1,0,0]=3 9649 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,1,0,0,0,0|1,0,0]=3 9650 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,1,0,0,0,0|2,0,0]=4 9651 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,1,0,0,0,0|2,0,0]=4 9652 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,1,0,0,0,0|2,0,0]=4 9653 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,1,0,0,0,0|1,0,0]=3 9654 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,1,0,0,0,0|1,0,0]=3 9655 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,1,0,0,0,0|2,0,0]=4 9656 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,1,0,0,0,0|2,0,0]=4 9657 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,1,0,0,0,0|2,0,0]=4 9658 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,1,0,0,0,0|2,0,0]=4 9659 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,1,0,0,0,0|2,0,0]=4 9660 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,1,0,0,0,0|2,0,0]=4 9661 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,1,0,0,0,0|2,0,0]=4 9662 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,1,0,0,0,0|2,0,0]=4 9663 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,1,0,0,0,0|1,0,0]=3 9664 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,1,0,0,0,0|1,0,0]=3 9665 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,1,0,0,0,0|2,0,0]=4 9666 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,1,0,0,0,0|2,0,0]=4 9667 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,1,0,0,0,0|2,0,0]=4 9668 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,1,0,0,0,0|2,0,0]=4 9669 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,1,0,0,0,0|2,0,0]=4 9670 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,1,0,0,0,0|2,0,0]=4 9671 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,1,0,0,0,0|2,0,0]=4 9672 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,1,0,0,0,0|2,0,0]=4 9673 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,1,0,0,0,0|2,0,0]=4 9674 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,1,0,0,0,0|2,0,0]=4 9675 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,1,0,0,0,0|2,0,0]=4 9676 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,1,0,0,0,0|2,0,0]=4 9677 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,1,0,0,0,0|1,0,0]=3 9678 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,1,0,0,0,0|1,0,0]=3 9679 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,1,0,0,0,0|2,0,0]=4 9680 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,1,0,0,0,0|2,0,0]=4 9681 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 9682 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,1,0,0,0,0|2,0,0]=4 9683 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,1,0,0,0,0|2,0,0]=4 9684 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,1,0,0,0,0|2,0,0]=4 9685 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,1,0,0,0,0|2,0,0]=4 9686 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,1,0,0,0,0|2,0,0]=4 9687 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,1,0,0,0,0|2,0,0]=4 9688 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,1,0,0,0,0|2,0,0]=4 9689 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,1,0,0,0,0|2,0,0]=4 9690 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,1,0,0,0,0|2,0,0]=4 9691 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,1,0,0,0,0|2,0,0]=4 9692 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,1,0,0,0,0|2,0,0]=4 9693 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,1,0,0,0,0|2,0,0]=4 9694 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,1,0,0,0,0|2,0,0]=4 9695 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,1,0,0,0,0|2,0,0]=4 9696 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [1,1,0,0,0,0|2,0,0]=4 9697 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,1,0,0,0,0|2,0,0]=4 9698 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,1,0,0,0,0|2,0,0]=4 9699 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,1,0,0,0,0|2,0,0]=4 9700 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,1,0,0,0,0|2,0,0]=4 9701 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,1,0,0,0,0|2,0,0]=4 9702 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,1,0,0,0,0|2,0,0]=4 9703 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,1,0,0,0,0|2,0,0]=4 9704 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,1,0,0,0,0|2,0,0]=4 9705 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,1,0,0,0,0|2,0,0]=4 9706 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,1,0,0,0,0|2,0,0]=4 9707 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,1,0,0,0,0|2,0,0]=4 9708 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,1,0,0,0,0|2,0,0]=4 9709 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,1,0,0,0,0|1,0,0]=3 9710 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,1,0,0,0,0|1,0,0]=3 9711 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,1,0,0,0,0|2,0,0]=4 9712 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,1,0,0,0,0|2,0,0]=4 9713 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,1,0,0,0,0|2,0,0]=4 9714 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,1,0,0,0,0|2,0,0]=4 9715 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,1,0,0,0,0|2,0,0]=4 9716 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,1,0,0,0,0|2,0,0]=4 9717 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,1,0,0,0,0|2,0,0]=4 9718 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,1,0,0,0,0|2,0,0]=4 9719 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,1,0,0,0,0|1,0,0]=3 9720 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,1,0,0,0,0|1,0,0]=3 9721 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,1,0,0,0,0|2,0,0]=4 9722 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,1,0,0,0,0|2,0,0]=4 9723 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,1,0,0,0,0|2,0,0]=4 9724 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,1,0,0,0,0|2,0,0]=4 9725 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,1,0,0,0,0|1,0,1]=4 9726 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,1,0,0,0,0|1,0,1]=4 9727 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,1,0,0,0,0|0,0,2]=4 9728 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,1,0,0,0,0|0,0,2]=4 9729 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,1,0,0,0,0|1,0,0]=3 9730 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,1,0,0,0,0|1,0,0]=3 9731 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,1,0,0,0,0|0,0,0]=2 9732 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,1,0,0,0,0|0,0,0]=2 9733 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,1,0,0,0,0|2,0,0]=4 9734 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,1,0,0,0,0|2,0,0]=4 9735 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,1,0,0,0,0|1,0,0]=3 9736 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,1,0,0,0,0|1,0,0]=3 9737 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,1,0,0,0,0|2,0,0]=4 9738 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,1,0,0,0,0|2,0,0]=4 9739 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,1,0,0,0,0|2,0,0]=4 9740 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,1,0,0,0,0|2,0,0]=4 9741 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,1,0,0,0,0|1,0,0]=3 9742 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,1,0,0,0,0|2,0,0]=4 9743 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,1,0,0,0,0|2,0,0]=4 9744 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [1,1,0,0,0,0|2,0,0]=4 9745 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [1,1,0,0,0,0|2,0,0]=4 9746 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,1,0,0,0,0|2,0,0]=4 9747 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,1,0,0,0,0|2,0,0]=4 9748 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,1,0,0,0,0|2,0,0]=4 9749 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,1,0,0,0,0|2,0,0]=4 9750 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,1,0,0,0,0|2,0,0]=4 9751 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,1,0,0,0,0|2,0,0]=4 9752 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,1,0,0,0,0|1,0,0]=3 9753 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,1,0,0,0,0|1,0,0]=3 9754 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,1,0,0,0,0|2,0,0]=4 9755 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,1,0,0,0,0|2,0,0]=4 9756 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,1,0,0,0,0|2,0,0]=4 9757 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,1,0,0,0,0|2,0,0]=4 9758 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,1,0,0,0,0|2,0,0]=4 9759 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [1,1,0,0,0,0|2,0,0]=4 9760 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [1,1,0,0,0,0|2,0,0]=4 9761 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [1,1,0,0,0,0|2,0,0]=4 9762 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [1,1,0,0,0,0|2,0,0]=4 9763 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [1,1,0,0,0,0|2,0,0]=4 9764 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,1,0,0,0,0|2,0,0]=4 9765 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,1,0,0,0,0|2,0,0]=4 9766 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,1,0,0,0,0|1,0,0]=3 9767 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,1,0,0,0,0|1,0,0]=3 9768 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,1,0,0,0,0|2,0,0]=4 9769 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,1,0,0,0,0|2,0,0]=4 9770 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [1,1,0,0,0,0|2,0,0]=4 9771 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [1,1,0,0,0,0|2,0,0]=4 9772 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,1,0,0,0,0|1,0,1]=4 9773 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,1,0,0,0,0|1,0,1]=4 9774 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,1,0,0,0,0|0,0,0]=2 9775 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,1,0,0,0,0|0,0,0]=2 9776 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,1,0,0,0,0|0,0,0]=2 9777 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,1,0,0,0,0|0,0,0]=2 9778 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,1,0,0,0,0|0,0,0]=2 9779 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,1,0,0,0,0|1,0,0]=3 9780 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,1,0,0,0,0|1,0,0]=3 9781 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,1,0,0,0,0|1,0,0]=3 9782 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,1,0,0,0,0|2,0,0]=4 9783 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 9784 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,1,0,0,0,0|1,0,0]=3 9785 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,1,0,0,0,0|1,0,0]=3 9786 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,1,0,0,0,0|1,0,0]=3 9787 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [1,1,0,0,0,0|2,0,0]=4 9788 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [1,1,0,0,0,0|2,0,0]=4 9789 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [1,1,0,0,0,0|2,0,0]=4 9790 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [1,1,0,0,0,0|2,0,0]=4 9791 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [1,1,0,0,0,0|2,0,0]=4 9792 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [1,1,0,0,0,0|2,0,0]=4 9793 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [1,1,0,0,0,0|2,0,0]=4 9794 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,1,0,0,0,0|1,0,0]=3 9795 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,1,0,0,0,0|1,0,0]=3 9796 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,1,0,0,0,0|1,0,0]=3 9797 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,1,0,0,0,0|0,0,0]=2 9798 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,1,0,0,0,0|1,0,0]=3 9799 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,1,0,0,0,0|1,0,0]=3 9800 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,1,0,0,0,0|1,0,0]=3 9801 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,1,0,0,0,0|1,0,0]=3 9802 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,1,0,0,0,0|1,0,0]=3 9803 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,1,0,0,0,0|1,0,0]=3 9804 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,1,0,0,0,0|1,0,0]=3 9805 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,1,0,0,0,0|1,0,0]=3 9806 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,1,0,0,0,0|1,0,0]=3 9807 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,1,0,0,0,0|2,0,0]=4 9808 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,1,0,0,0,0|2,0,0]=4 9809 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,1,0,0,0,0|1,0,0]=3 9810 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,1,0,0,0,0|1,0,0]=3 9811 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,1,0,0,0,0|2,0,0]=4 9812 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,1,0,0,0,0|2,0,0]=4 9813 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,1,0,0,0,0|2,0,0]=4 9814 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,1,0,0,0,0|1,0,0]=3 9815 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,1,0,0,0,0|2,0,0]=4 9816 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,1,0,0,0,0|2,0,0]=4 9817 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,1,0,0,0,0|2,0,0]=4 9818 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,1,0,0,0,0|1,0,0]=3 9819 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,1,0,0,0,0|1,0,0]=3 9820 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [1,1,0,0,0,0|2,0,0]=4 9821 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [1,1,0,0,0,0|2,0,0]=4 9822 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,1,0,0,0,0|2,0,0]=4 9823 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,1,0,0,0,0|2,0,0]=4 9824 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,1,0,0,0,0|2,0,0]=4 9825 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,1,0,0,0,0|2,0,0]=4 9826 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,1,0,0,0,0|2,0,0]=4 9827 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,1,0,0,0,0|1,0,0]=3 9828 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [1,1,0,0,0,0|2,0,0]=4 9829 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [1,1,0,0,0,0|2,0,0]=4 9830 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [1,1,0,0,0,0|2,0,0]=4 9831 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [1,1,0,0,0,0|2,0,0]=4 9832 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,1,0,0,0,0|2,0,0]=4 9833 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,1,0,0,0,0|2,0,0]=4 9834 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,1,0,0,0,0|2,0,0]=4 9835 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,1,0,0,0,0|2,0,0]=4 9836 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,1,0,0,0,0|2,0,0]=4 9837 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,1,0,0,0,0|2,0,0]=4 9838 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,1,0,0,0,0|1,0,0]=3 9839 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [1,1,0,0,0,0|2,0,0]=4 9840 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [1,1,0,0,0,0|2,0,0]=4 9841 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [1,1,0,0,0,0|2,0,0]=4 9842 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [1,1,0,0,0,0|2,0,0]=4 9843 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,1,0,0,0,0|2,0,0]=4 9844 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,1,0,0,0,0|2,0,0]=4 9845 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,1,0,0,0,0|2,0,0]=4 9846 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,1,0,0,0,0|2,0,0]=4 9847 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,1,0,0,0,0|2,0,0]=4 9848 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,1,0,0,0,0|1,0,0]=3 9849 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,1,0,0,0,0|1,0,0]=3 9850 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [1,1,0,0,0,0|2,0,0]=4 9851 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [1,1,0,0,0,0|2,0,0]=4 9852 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [1,1,0,0,0,0|2,0,0]=4 9853 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [1,1,0,0,0,0|2,0,0]=4 9854 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,1,0,0,0,0|2,0,0]=4 9855 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,1,0,0,0,0|1,0,0]=3 9856 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,1,0,0,0,0|1,0,0]=3 9857 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,1,0,0,0,0|1,0,0]=3 9858 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [1,1,0,0,0,0|2,0,0]=4 9859 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,1,0,0,0,0|2,0,0]=4 9860 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,1,0,0,0,0|2,0,0]=4 9861 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,1,0,0,0,0|2,0,0]=4 9862 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,1,0,0,0,0|2,0,0]=4 9863 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,1,0,0,0,0|2,0,0]=4 9864 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,1,0,0,0,0|2,0,0]=4 9865 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,1,0,0,0,0|2,0,0]=4 9866 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,1,0,0,0,0|2,0,0]=4 9867 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,1,0,0,0,0|1,0,0]=3 9868 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [1,1,0,0,0,0|2,0,0]=4 9869 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [1,1,0,0,0,0|2,0,0]=4 9870 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,1,0,0,0,0|2,0,0]=4 9871 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,1,0,0,0,0|2,0,0]=4 9872 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,1,0,0,0,0|2,0,0]=4 9873 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,1,0,0,0,0|2,0,0]=4 9874 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,1,0,0,0,0|2,0,0]=4 9875 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,1,0,0,0,0|2,0,0]=4 9876 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [1,1,0,0,0,0|2,0,0]=4 9877 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [1,1,0,0,0,0|2,0,0]=4 9878 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [1,1,0,0,0,0|2,0,0]=4 9879 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,1,0,0,0,0|2,0,0]=4 9880 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,1,0,0,0,0|2,0,0]=4 9881 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,1,0,0,0,0|1,0,0]=3 9882 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,1,0,0,0,0|1,0,0]=3 9883 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,1,0,0,0,0|1,0,0]=3 9884 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [1,1,0,0,0,0|2,0,0]=4 9885 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [1,1,0,0,0,0|2,0,0]=4 9886 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,1,0,0,0,0|2,0,0]=4 9887 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,1,0,0,0,0|2,0,0]=4 9888 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,1,0,0,0,0|1,0,0]=3 9889 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,1,0,0,0,0|1,0,0]=3 9890 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [1,1,0,0,0,0|2,0,0]=4 9891 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [1,1,0,0,0,0|2,0,0]=4 9892 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,1,0,0,0,0|1,0,1]=4 9893 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,1,0,0,0,0|1,0,1]=4 9894 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,1,0,0,0,0|0,0,0]=2 9895 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,1,0,0,0,0|0,0,0]=2 9896 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,1,0,0,0,0|2,0,0]=4 9897 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,1,0,0,0,0|2,0,0]=4 9898 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,1,0,0,0,0|1,0,0]=3 9899 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,1,0,0,0,0|1,0,0]=3 9900 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,1,0,0,0,0|2,0,0]=4 9901 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,1,0,0,0,0|2,0,0]=4 9902 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,1,0,0,0,0|1,0,0]=3 9903 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [1,1,0,0,0,0|2,0,0]=4 9904 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,1,0,0,0,0|2,0,0]=4 9905 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,1,0,0,0,0|2,0,0]=4 9906 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,1,0,0,0,0|1,0,0]=3 9907 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,1,0,0,0,0|1,0,0]=3 9908 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [1,1,0,0,0,0|2,0,0]=4 9909 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [1,1,0,0,0,0|2,0,0]=4 9910 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,1,0,0,0,0|2,0,0]=4 9911 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,1,0,0,0,0|1,0,0]=3 9912 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,1,0,0,0,0|1,0,0]=3 9913 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,1,0,0,0,0|1,0,0]=3 9914 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,1,0,0,0,0|2,0,0]=4 9915 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,1,0,0,0,0|2,0,0]=4 9916 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,1,0,0,0,0|2,0,0]=4 9917 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,1,0,0,0,0|2,0,0]=4 9918 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,1,0,0,0,0|2,0,0]=4 9919 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,1,0,0,0,0|2,0,0]=4 9920 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,1,0,0,0,0|2,0,0]=4 9921 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,1,0,0,0,0|2,0,0]=4 9922 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,1,0,0,0,0|2,0,0]=4 9923 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,1,0,0,0,0|1,0,0]=3 9924 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,1,0,0,0,0|1,0,0]=3 9925 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,1,0,0,0,0|2,0,0]=4 9926 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,1,0,0,0,0|2,0,0]=4 9927 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,1,0,0,0,0|1,0,0]=3 9928 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,1,0,0,0,0|1,0,0]=3 9929 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,1,0,0,0,0|1,0,0]=3 9930 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,1,0,0,0,0|1,0,0]=3 9931 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [1,1,0,0,0,0|2,0,0]=4 9932 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [1,1,0,0,0,0|2,0,0]=4 9933 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [1,1,0,0,0,0|2,0,0]=4 9934 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,1,0,0,0,0|2,0,0]=4 9935 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,1,0,0,0,0|2,0,0]=4 9936 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,1,0,0,0,0|2,0,0]=4 9937 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,1,0,0,0,0|2,0,0]=4 9938 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,1,0,0,0,0|2,0,0]=4 9939 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,1,0,0,0,0|2,0,0]=4 9940 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,1,0,0,0,0|1,0,0]=3 9941 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,1,0,0,0,0|1,0,0]=3 9942 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [1,1,0,0,0,0|2,0,0]=4 9943 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [1,1,0,0,0,0|2,0,0]=4 9944 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,1,0,0,0,0|2,0,0]=4 9945 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,1,0,0,0,0|2,0,0]=4 9946 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,1,0,0,0,0|2,0,0]=4 9947 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,1,0,0,0,0|2,0,0]=4 9948 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [1,1,0,0,0,0|2,0,0]=4 9949 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,1,0,0,0,0|2,0,0]=4 9950 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [1,1,0,0,0,0|2,0,0]=4 9951 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [1,1,0,0,0,0|2,0,0]=4 9952 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [1,1,0,0,0,0|2,0,0]=4 9953 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [1,1,0,0,0,0|2,0,0]=4 9954 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [1,1,0,0,0,0|2,0,0]=4 9955 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [1,1,0,0,0,0|2,0,0]=4 9956 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [1,1,0,0,0,0|2,0,0]=4 9957 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [1,1,0,0,0,0|2,0,0]=4 9958 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [1,1,0,0,0,0|2,0,0]=4 9959 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [1,1,0,0,0,0|2,0,0]=4 9960 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [1,1,0,0,0,0|2,0,0]=4 9961 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [1,1,0,0,0,0|2,0,0]=4 9962 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [1,1,0,0,0,0|2,0,0]=4 9963 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [1,1,0,0,0,0|2,0,0]=4 9964 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [1,1,0,0,0,0|2,0,0]=4 9965 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,1,0,0,0,0|2,0,0]=4 9966 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,1,0,0,0,0|2,0,0]=4 9967 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 9968 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 9969 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,1,0,0,0,0|2,0,0]=4 9970 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,1,0,0,0,0|2,0,0]=4 9971 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,1,0,0,0,0|2,0,0]=4 9972 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,1,0,0,0,0|2,0,0]=4 9973 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 9974 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 9975 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [1,1,0,0,0,0|1,0,1]=4 9976 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [1,1,0,0,0,0|1,0,1]=4 9977 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [1,1,0,0,0,0|1,0,1]=4 9978 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [1,1,0,0,0,0|1,0,1]=4 9979 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [1,1,0,0,0,0|1,0,1]=4 9980 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [1,1,0,0,0,0|1,0,1]=4 9981 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [1,1,0,0,0,0|1,0,1]=4 9982 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [1,1,0,0,0,0|1,0,1]=4 9983 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [1,1,0,0,0,0|1,0,1]=4 9984 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [1,1,0,0,0,0|1,0,1]=4 9985 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [1,1,0,0,0,0|1,0,1]=4 9986 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,1,0,0,0,0|2,0,0]=4 9987 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|2,0,0]=4 9988 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,0]=3 9989 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,1,0,0,0,0|2,0,0]=4 9990 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,1,0,0,0,0|1,0,0]=3 9991 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,1,0,0,0,0|2,0,0]=4 9992 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,1,0,0,0,0|1,0,0]=3 9993 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,1,0,0,0,0|2,0,0]=4 9994 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,1,0,0,0,0|1,0,0]=3 9995 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [1,1,0,0,0,0|2,0,0]=4 9996 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [1,1,0,0,0,0|2,0,0]=4 9997 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [1,1,0,0,0,0|2,0,0]=4 9998 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [1,1,0,0,0,0|2,0,0]=4 9999 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,1,0,0,0,0|1,0,1]=4 10000 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,1,0,0,0,0|1,0,1]=4 10001 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,1,0,0,0,0|1,0,1]=4 10002 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,1,0,0,0,0|1,0,1]=4 10003 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,1,0,0,0,0|1,0,1]=4 10004 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,1,0,0,0,0|1,0,1]=4 10005 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,1]=4 10006 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,1,0,0,0,0|1,0,1]=4 10007 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,1,0,0,0,0|1,0,1]=4 10008 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,1,0,0,0,0|1,0,0]=3 10009 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,1,0,0,0,0|1,0,0]=3 10010 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,1,0,0,0,0|1,0,0]=3 10011 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,1,0,0,0,0|1,0,0]=3 10012 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,1,0,0,0,0|1,0,0]=3 10013 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|1,0,0]=3 10014 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,1,0,0,0,0|1,0,0]=3 10015 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,1,0,0,0,0|1,0,0]=3 10016 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,0]=3 10017 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,1,0,0,0,0|1,0,0]=3 10018 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,1,0,0,0,0|1,0,0]=3 10019 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,1,0,0,0,0|1,0,0]=3 10020 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,1,0,0,0,0|1,0,0]=3 10021 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,1,0,0,0,0|1,0,0]=3 10022 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,1,0,0,0,0|1,0,0]=3 10023 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,1,0,0,0,0|1,0,0]=3 10024 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,1,0,0,0,0|1,0,0]=3 10025 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,1,0,0,0,0|1,0,0]=3 10026 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,1,0,0,0,0|1,0,0]=3 10027 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,1,0,0,0,0|1,0,0]=3 10028 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,1,0,0,0,0|1,0,0]=3 10029 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,1,0,0,0,0|1,0,0]=3 10030 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,1,0,0,0,0|1,0,0]=3 10031 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,1,0,0,0,0|1,0,0]=3 10032 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,1,0,0,0,0|1,0,0]=3 10033 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,1,0,0,0,0|1,0,0]=3 10034 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,1,0,0,0,0|1,0,0]=3 10035 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,1,0,0,0,0|1,0,0]=3 10036 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,1,0,0,0,0|1,0,0]=3 10037 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,1,0,0,0,0|1,0,0]=3 10038 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,1,0,0,0,0|1,0,0]=3 10039 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,1,0,0,0,0|1,0,0]=3 10040 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,1,0,0,0,0|1,0,0]=3 10041 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,1,0,0,0,0|1,0,0]=3 10042 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,1,0,0,0,0|1,0,0]=3 10043 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,1,0,0,0,0|1,0,0]=3 10044 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,1,0,0,0,0|1,0,0]=3 10045 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,1,0,0,0,0|1,0,0]=3 10046 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [1,1,0,0,0,0|2,0,0]=4 10047 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [1,1,0,0,0,0|2,0,0]=4 10048 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [1,1,0,0,0,0|2,0,0]=4 10049 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [1,1,0,0,0,0|2,0,0]=4 10050 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [1,1,0,0,0,0|2,0,0]=4 10051 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,1,0,0,0,0|1,0,0]=3 10052 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,1,0,0,0,0|1,0,0]=3 10053 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,1,0,0,0,0|1,0,0]=3 10054 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,1,0,0,0,0|1,0,0]=3 10055 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,1,0,0,0,0|1,0,0]=3 10056 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,1,0,0,0,0|1,0,0]=3 10057 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [1,1,0,0,0,0|2,0,0]=4 10058 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [1,1,0,0,0,0|2,0,0]=4 10059 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [1,1,0,0,0,0|2,0,0]=4 10060 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [1,1,0,0,0,0|2,0,0]=4 10061 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [1,1,0,0,0,0|2,0,0]=4 10062 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [1,1,0,0,0,0|2,0,0]=4 10063 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [1,1,0,0,0,0|2,0,0]=4 10064 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [1,1,0,0,0,0|2,0,0]=4 10065 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [1,1,0,0,0,0|2,0,0]=4 10066 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [1,1,0,0,0,0|2,0,0]=4 10067 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [1,1,0,0,0,0|2,0,0]=4 10068 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [1,1,0,0,0,0|2,0,0]=4 10069 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [1,1,0,0,0,0|2,0,0]=4 10070 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [1,1,0,0,0,0|2,0,0]=4 10071 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [1,1,0,0,0,0|2,0,0]=4 10072 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [1,1,0,0,0,0|2,0,0]=4 10073 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,1,0,0,0,0|1,0,0]=3 10074 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,1,0,0,0,0|1,0,0]=3 10075 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [1,1,0,0,0,0|2,0,0]=4 10076 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,1,0,0,0,0|0,0,0]=2 10077 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,1,0,0,0,0|0,0,0]=2 10078 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,1,0,0,0,0|1,0,0]=3 10079 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,1,0,0,0,0|1,0,0]=3 10080 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,1,0,0,0,0|1,0,0]=3 10081 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,1,0,0,0,0|1,0,0]=3 10082 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,1,0,0,0,0|1,0,0]=3 10083 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,1,0,0,0,0|2,0,0]=4 10084 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,1,0,0,0,0|1,0,1]=4 10085 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,1,0,0,0,0|1,0,1]=4 10086 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,1,0,0,0,0|0,0,0]=2 10087 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,1,0,0,0,0|0,0,0]=2 10088 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [1,1,0,0,0,0|2,0,0]=4 10089 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [1,1,0,0,0,0|2,0,0]=4 10090 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|2,0,0]=4 10091 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|2,0,0]=4 10092 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 10093 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 10094 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 10095 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 10096 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [1,1,0,0,0,0|2,0,0]=4 10097 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|2,0,0]=4 10098 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 10099 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 10100 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|2,0,0]=4 10101 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 10102 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 10103 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 10104 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 10105 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|2,0,0]=4 10106 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 10107 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 10108 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [1,1,0,0,0,0|2,0,0]=4 10109 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,1]=4 10110 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,1]=3 10111 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,1]=3 10112 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,1]=4 10113 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,1]=4 10114 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,1]=4 10115 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,1]=4 10116 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,1,0,0,0,0|1,0,1]=4 10117 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,1,0,0,0,0|1,0,1]=4 10118 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 10119 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 10120 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|2,0,0]=4 10121 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,1,0,0,0,0|2,0,0]=4 10122 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,0]=3 10123 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [1,1,0,0,0,0|2,0,0]=4 10124 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [1,1,0,0,0,0|2,0,0]=4 10125 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|2,0,0]=4 10126 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,0]=3 10127 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 10128 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [1,1,0,0,0,0|2,0,0]=4 10129 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [1,1,0,0,0,0|2,0,0]=4 10130 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 10131 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|1,0,0]=3 10132 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|1,0,0]=3 10133 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [1,1,0,0,0,0|2,0,0]=4 10134 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [1,1,0,0,0,0|2,0,0]=4 10135 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [1,1,0,0,0,0|2,0,0]=4 10136 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [1,1,0,0,0,0|2,0,0]=4 10137 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [1,1,0,0,0,0|2,0,0]=4 10138 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [1,1,0,0,0,0|2,0,0]=4 10139 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [1,1,0,0,0,0|2,0,0]=4 10140 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [1,1,0,0,0,0|2,0,0]=4 10141 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [1,1,0,0,0,0|2,0,0]=4 10142 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [1,1,0,0,0,0|2,0,0]=4 10143 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [1,1,0,0,0,0|2,0,0]=4 10144 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [1,1,0,0,0,0|2,0,0]=4 10145 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [1,1,0,0,0,0|2,0,0]=4 10146 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [1,1,0,0,0,0|2,0,0]=4 10147 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [1,1,0,0,0,0|2,0,0]=4 10148 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,0,0]=3 10149 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,0,0]=3 10150 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [1,1,0,0,0,0|2,0,0]=4 10151 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [1,1,0,0,0,0|2,0,0]=4 10152 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [1,1,0,0,0,0|2,0,0]=4 10153 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [1,1,0,0,0,0|2,0,0]=4 10154 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [1,1,0,0,0,0|2,0,0]=4 10155 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|1,0,0]=3 10156 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|1,0,0]=3 10157 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,0]=3 10158 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [1,1,0,0,0,0|2,0,0]=4 10159 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [1,1,0,0,0,0|2,0,0]=4 10160 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [1,1,0,0,0,0|2,0,0]=4 10161 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|2,0,0]=4 10162 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|2,0,0]=4 10163 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|2,0,0]=4 10164 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|2,0,0]=4 10165 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|2,0,0]=4 10166 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|2,0,0]=4 10167 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|2,0,0]=4 10168 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|2,0,0]=4 10169 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,0]=3 10170 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,1,0,0,0,0|2,0,0]=4 10171 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,1,0,0,0,0|2,0,0]=4 10172 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,1,0,0,0,0|2,0,0]=4 10173 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,1,0,0,0,0|2,0,0]=4 10174 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,1,0,0,0,0|2,0,0]=4 10175 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [1,1,0,0,0,0|2,0,0]=4 10176 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [1,1,0,0,0,0|2,0,0]=4 10177 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,0,0]=3 10178 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,0,0]=3 10179 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [1,1,0,0,0,0|2,0,0]=4 10180 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [1,1,0,0,0,0|2,0,0]=4 10181 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [1,1,0,0,0,0|2,0,0]=4 10182 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 10183 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 10184 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|1,0,0]=3 10185 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [1,1,0,0,0,0|2,0,0]=4 10186 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [1,1,0,0,0,0|2,0,0]=4 10187 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [1,1,0,0,0,0|2,0,0]=4 10188 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [1,1,0,0,0,0|2,0,0]=4 10189 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [1,1,0,0,0,0|2,0,0]=4 10190 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [1,1,0,0,0,0|2,0,0]=4 10191 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [1,1,0,0,0,0|2,0,0]=4 10192 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [1,1,0,0,0,0|2,0,0]=4 10193 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [1,1,0,0,0,0|2,0,0]=4 10194 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [1,1,0,0,0,0|2,0,0]=4 10195 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [1,1,0,0,0,0|2,0,0]=4 10196 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [1,1,0,0,0,0|2,0,0]=4 10197 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [1,1,0,0,0,0|2,0,0]=4 10198 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,0,0]=3 10199 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,0,0]=3 10200 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [1,1,0,0,0,0|2,0,0]=4 10201 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [1,1,0,0,0,0|2,0,0]=4 10202 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [1,1,0,0,0,0|2,0,0]=4 10203 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [1,1,0,0,0,0|2,0,0]=4 10204 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,1]=3 10205 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,1]=3 10206 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 10207 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,1]=3 10208 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|1,0,1]=4 10209 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 10210 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 10211 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 10212 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|1,0,0]=3 10213 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|1,0,0]=3 10214 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|1,0,0]=3 10215 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|1,0,0]=3 10216 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|1,0,0]=3 10217 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|1,0,0]=3 10218 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|1,0,0]=3 10219 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|1,0,0]=3 10220 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|1,0,0]=3 10221 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|1,0,0]=3 10222 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|1,0,0]=3 10223 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|1,0,0]=3 10224 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|1,0,0]=3 10225 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|1,0,0]=3 10226 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|1,0,0]=3 10227 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|1,0,0]=3 10228 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|1,0,0]=3 10229 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,0]=3 10230 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,0]=3 10231 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,0]=3 10232 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,0]=3 10233 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,1,0,0,0,0|2,0,0]=4 10234 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 10235 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 10236 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 10237 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 10238 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|1,0,1]=4 10239 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|1,0,1]=4 10240 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,0]=3 10241 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,0]=3 10242 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|1,0,0]=3 10243 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|1,0,0]=3 10244 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,0]=3 10245 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,0]=3 10246 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,0]=3 10247 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|2,0,0]=4 10248 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|2,0,0]=4 10249 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 10250 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 10251 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 10252 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,0]=3 10253 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,0]=3 10254 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,0,0]=3 10255 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,1,0,0,0,0|2,0,0]=4 10256 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,1,0,0,0,0|2,0,0]=4 10257 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,0,0]=3 10258 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,0,0]=3 10259 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,1]=4 10260 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,1,0,0,0,0|1,0,0]=3 10261 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,1,0,0,0,0|1,0,0]=3 10262 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,1,0,0,0,0|1,0,0]=3 10263 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,1,0,0,0,0|1,0,0]=3 10264 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,0]=3 10265 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,1,0,0,0,0|1,0,0]=3 10266 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,1,0,0,0,0|1,0,0]=3 10267 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,1,0,0,0,0|1,0,0]=3 10268 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,0]=3 10269 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,0]=3 10270 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,1,0,0,0,0|1,0,0]=3 10271 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,1,0,0,0,0|1,0,0]=3 10272 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|1,0,0]=3 10273 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|1,0,0]=3 10274 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,1,0,0,0,0|2,0,0]=4 10275 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,0]=3 10276 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [1,1,0,0,0,0|2,0,0]=4 10277 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [1,1,0,0,0,0|2,0,0]=4 10278 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,0]=3 10279 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,0]=3 10280 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,0]=3 10281 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|1,0,1]=4 10282 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|1,0,1]=4 10283 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|1,0,1]=4 10284 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|1,0,1]=4 10285 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,1,0,0,0,0|1,0,1]=4 10286 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|1,0,0]=3 10287 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|1,0,0]=3 10288 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [1,1,0,0,0,0|2,0,0]=4 10289 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,1,0,0,0,0|2,0,0]=4 10290 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,1,0,0,0,0|2,0,0]=4 10291 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,1,0,0,0,0|2,0,0]=4 10292 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,1,0,0,0,0|2,0,0]=4 10293 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,1,0,0,0,0|2,0,0]=4 10294 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [1,1,0,0,0,0|2,0,0]=4 10295 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,1,0,0,0,0|1,0,0]=3 10296 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,1,0,0,0,0|1,0,0]=3 10297 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,0]=3 10298 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,0]=3 10299 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 10300 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,1,0,0,0,0|2,0,0]=4 10301 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|1,0,0]=3 10302 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|1,0,0]=3 10303 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|1,0,0]=3 10304 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,0]=3 10305 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,0]=3 10306 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,1,0,0,0,0|2,0,0]=4 10307 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,1,0,0,0,0|2,0,0]=4 10308 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,0]=3 10309 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,0]=3 10310 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [1,1,0,0,0,0|2,0,0]=4 10311 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|1,0,1]=4 10312 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|1,0,1]=4 10313 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|1,0,1]=4 10314 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,1,0,0,0,0|1,0,0]=3 10315 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,1,0,0,0,0|1,0,0]=3 10316 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,1,0,0,0,0|1,0,0]=3 10317 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,1,0,0,0,0|1,0,0]=3 10318 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,0]=3 10319 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,0]=3 10320 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,1,0,0,0,0|1,0,0]=3 10321 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,1,0,0,0,0|1,0,0]=3 10322 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,0]=3 10323 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,0]=3 10324 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [1,1,0,0,0,0|2,0,0]=4 10325 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [1,1,0,0,0,0|2,0,0]=4 10326 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,0]=3 10327 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,0]=3 10328 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,0]=3 10329 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|1,0,0]=3 10330 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,0]=3 10331 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|1,0,1]=4 10332 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|1,0,1]=4 10333 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|1,0,0]=3 10334 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,1,0,0,0,0|2,0,0]=4 10335 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,1,0,0,0,0|2,0,0]=4 10336 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,1,0,0,0,0|2,0,0]=4 10337 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 10338 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 10339 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|1,0,0]=3 10340 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|1,0,0]=3 10341 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|1,0,0]=3 10342 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|1,0,0]=3 10343 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [1,1,0,0,0,0|2,0,0]=4 10344 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [1,1,0,0,0,0|2,0,0]=4 10345 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 10346 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 10347 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 10348 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|2,0,0]=4 10349 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [1,1,0,0,0,0|2,0,0]=4 10350 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,1]=4 10351 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|1,0,1]=4 10352 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,0]=3 10353 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,1,0,0,0,0|2,0,0]=4 10354 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,1,0,0,0,0|2,0,0]=4 10355 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 10356 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|2,0,0]=4 10357 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|2,0,0]=4 10358 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|2,0,0]=4 10359 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 10360 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 10361 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|2,0,0]=4 10362 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|2,0,0]=4 10363 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|2,0,0]=4 10364 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|2,0,0]=4 10365 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 10366 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 10367 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|2,0,0]=4 10368 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|2,0,0]=4 10369 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|2,0,0]=4 10370 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|2,0,0]=4 10371 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|2,0,0]=4 10372 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,1,0,0,0,0|2,0,0]=4 10373 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,1,0,0,0,0|2,0,0]=4 10374 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [1,1,0,0,0,0|2,0,0]=4 10375 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [1,1,0,0,0,0|2,0,0]=4 10376 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [1,1,0,0,0,0|2,0,0]=4 10377 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [1,1,0,0,0,0|2,0,0]=4 10378 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,1,0,0,0,0|2,0,0]=4 10379 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,1,0,0,0,0|2,0,0]=4 10380 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|2,0,0]=4 10381 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|2,0,0]=4 10382 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [1,1,0,0,0,0|2,0,0]=4 10383 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [1,1,0,0,0,0|2,0,0]=4 10384 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [1,1,0,0,0,0|2,0,0]=4 10385 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [1,1,0,0,0,0|2,0,0]=4 10386 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [1,1,0,0,0,0|2,0,0]=4 10387 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [1,1,0,0,0,0|2,0,0]=4 10388 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [1,1,0,0,0,0|2,0,0]=4 10389 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|2,0,0]=4 10390 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|2,0,0]=4 10391 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|2,0,0]=4 10392 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 10393 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 10394 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [1,1,0,0,0,0|2,0,0]=4 10395 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [1,1,0,0,0,0|2,0,0]=4 10396 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [1,1,0,0,0,0|2,0,0]=4 10397 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [1,1,0,0,0,0|2,0,0]=4 10398 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [1,1,0,0,0,0|2,0,0]=4 10399 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 10400 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 10401 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [1,1,0,0,0,0|2,0,0]=4 10402 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [1,1,0,0,0,0|2,0,0]=4 10403 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [1,1,0,0,0,0|2,0,0]=4 10404 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [1,1,0,0,0,0|2,0,0]=4 10405 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [1,1,0,0,0,0|2,0,0]=4 10406 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [1,1,0,0,0,0|2,0,0]=4 10407 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [1,1,0,0,0,0|2,0,0]=4 10408 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,0]=3 10409 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [1,1,0,0,0,0|2,0,0]=4 10410 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [1,1,0,0,0,0|2,0,0]=4 10411 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [1,1,0,0,0,0|2,0,0]=4 10412 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [1,1,0,0,0,0|2,0,0]=4 10413 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [1,1,0,0,0,0|2,0,0]=4 10414 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [1,1,0,0,0,0|2,0,0]=4 10415 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [1,1,0,0,0,0|2,0,0]=4 10416 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,0,0]=3 10417 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,0,0]=3 10418 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [1,1,0,0,0,0|2,0,0]=4 10419 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [1,1,0,0,0,0|2,0,0]=4 10420 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [1,1,0,0,0,0|2,0,0]=4 10421 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [1,1,0,0,0,0|2,0,0]=4 10422 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [1,1,0,0,0,0|2,0,0]=4 10423 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|1,0,1]=4 10424 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|2,0,0]=4 10425 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [1,1,0,0,0,0|2,0,0]=4 10426 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [1,1,0,0,0,0|2,0,0]=4 10427 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [1,1,0,0,0,0|2,0,0]=4 10428 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [1,1,0,0,0,0|2,0,0]=4 10429 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,1,0,0,0,0|1,0,1]=4 10430 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [1,1,0,0,0,0|2,0,0]=4 10431 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [1,1,0,0,0,0|2,0,0]=4 10432 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|2,0,0]=4 10433 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [1,1,0,0,0,0|2,0,0]=4 10434 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [1,1,0,0,0,0|2,0,0]=4 10435 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [1,1,0,0,0,0|2,0,0]=4 10436 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [1,1,0,0,0,0|2,0,0]=4 10437 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [1,1,0,0,0,0|2,0,0]=4 10438 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [1,1,0,0,0,0|2,0,0]=4 10439 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [1,1,0,0,0,0|2,0,0]=4 10440 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [1,1,0,0,0,0|2,0,0]=4 10441 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [1,1,0,0,0,0|2,0,0]=4 10442 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [1,1,0,0,0,0|2,0,0]=4 10443 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [1,1,0,0,0,0|2,0,0]=4 10444 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [1,1,0,0,0,0|2,0,0]=4 10445 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [1,1,0,0,0,0|2,0,0]=4 10446 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [1,1,0,0,0,0|2,0,0]=4 10447 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [1,1,0,0,0,0|2,0,0]=4 10448 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [1,1,0,0,0,0|2,0,0]=4 10449 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [1,1,0,0,0,0|2,0,0]=4 10450 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [1,1,0,0,0,0|2,0,0]=4 10451 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [1,1,0,0,0,0|2,0,0]=4 10452 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [1,1,0,0,0,0|2,0,0]=4 10453 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [1,1,0,0,0,0|2,0,0]=4 10454 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 10455 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 10456 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [1,1,0,0,0,0|2,0,0]=4 10457 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [1,1,0,0,0,0|2,0,0]=4 10458 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [1,1,0,0,0,0|2,0,0]=4 10459 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [1,1,0,0,0,0|2,0,0]=4 10460 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [1,1,0,0,0,0|2,0,0]=4 10461 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [1,1,0,0,0,0|2,0,0]=4 10462 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [1,1,0,0,0,0|2,0,0]=4 10463 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [1,1,0,0,0,0|2,0,0]=4 10464 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [1,1,0,0,0,0|2,0,0]=4 10465 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [1,1,0,0,0,0|2,0,0]=4 10466 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [1,1,0,0,0,0|2,0,0]=4 10467 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [1,1,0,0,0,0|2,0,0]=4 10468 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [1,1,0,0,0,0|2,0,0]=4 10469 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [1,1,0,0,0,0|2,0,0]=4 10470 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [1,1,0,0,0,0|2,0,0]=4 10471 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [1,1,0,0,0,0|2,0,0]=4 10472 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [1,1,0,0,0,0|2,0,0]=4 10473 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [1,1,0,0,0,0|2,0,0]=4 10474 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [1,1,0,0,0,0|2,0,0]=4 10475 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [1,1,0,0,0,0|2,0,0]=4 10476 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [1,1,0,0,0,0|2,0,0]=4 10477 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [1,1,0,0,0,0|2,0,0]=4 10478 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [1,1,0,0,0,0|2,0,0]=4 10479 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [1,1,0,0,0,0|2,0,0]=4 10480 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [1,1,0,0,0,0|2,0,0]=4 10481 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,1,0,0,0,0|2,0,0]=4 10482 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [1,1,0,0,0,0|2,0,0]=4 10483 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [1,1,0,0,0,0|2,0,0]=4 10484 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,1,0,0,0,0|2,0,0]=4 10485 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,1,0,0,0,0|2,0,0]=4 10486 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 10487 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [1,1,0,0,0,0|2,0,0]=4 10488 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [1,1,0,0,0,0|2,0,0]=4 10489 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 10490 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [1,1,0,0,0,0|2,0,0]=4 10491 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [1,1,0,0,0,0|2,0,0]=4 10492 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [1,1,0,0,0,0|2,0,0]=4 10493 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [1,1,0,0,0,0|2,0,0]=4 10494 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [1,1,0,0,0,0|2,0,0]=4 10495 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,1,0,0,0,0|1,0,1]=4 10496 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|1,0,1]=4 10497 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|1,0,1]=4 10498 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [1,1,0,0,0,0|2,0,0]=4 10499 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [1,1,0,0,0,0|2,0,0]=4 10500 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [1,1,0,0,0,0|2,0,0]=4 10501 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [1,1,0,0,0,0|2,0,0]=4 10502 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [1,1,0,0,0,0|2,0,0]=4 10503 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [1,1,0,0,0,0|2,0,0]=4 10504 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [1,1,0,0,0,0|2,0,0]=4 10505 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [1,1,0,0,0,0|2,0,0]=4 10506 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,1,0,0,0,0|2,0,0]=4 10507 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [1,1,0,0,0,0|2,0,0]=4 10508 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,1,0,0,0,0|2,0,0]=4 10509 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,1,0,0,0,0|2,0,0]=4 10510 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [1,1,0,0,0,0|2,0,0]=4 10511 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [1,1,0,0,0,0|2,0,0]=4 10512 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,1,0,0,0,0|2,0,0]=4 10513 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,1,0,0,0,0|2,0,0]=4 10514 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [1,1,0,0,0,0|2,0,0]=4 10515 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [1,1,0,0,0,0|2,0,0]=4 10516 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [1,1,0,0,0,0|2,0,0]=4 10517 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [1,1,0,0,0,0|2,0,0]=4 10518 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [1,1,0,0,0,0|2,0,0]=4 10519 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [1,1,0,0,0,0|2,0,0]=4 10520 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [1,1,0,0,0,0|2,0,0]=4 10521 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [1,1,0,0,0,0|2,0,0]=4 10522 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [1,1,0,0,0,0|2,0,0]=4 10523 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,1,0,0,0,0|2,0,0]=4 10524 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,1,0,0,0,0|2,0,0]=4 10525 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,1,0,0,0,0|2,0,0]=4 10526 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 10527 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 10528 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,1]=4 10529 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [1,1,0,0,0,0|2,0,0]=4 10530 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [1,1,0,0,0,0|2,0,0]=4 10531 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [1,1,0,0,0,0|2,0,0]=4 10532 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [1,1,0,0,0,0|2,0,0]=4 10533 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [1,1,0,0,0,0|2,0,0]=4 10534 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [1,1,0,0,0,0|2,0,0]=4 10535 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [1,1,0,0,0,0|2,0,0]=4 10536 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [1,1,0,0,0,0|2,0,0]=4 10537 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 10538 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [1,1,0,0,0,0|2,0,0]=4 10539 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [1,1,0,0,0,0|2,0,0]=4 10540 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 10541 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 10542 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [1,1,0,0,0,0|2,0,0]=4 10543 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [1,1,0,0,0,0|2,0,0]=4 10544 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [1,1,0,0,0,0|2,0,0]=4 10545 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [1,1,0,0,0,0|2,0,0]=4 10546 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [1,1,0,0,0,0|2,0,0]=4 10547 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [1,1,0,0,0,0|2,0,0]=4 10548 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 10549 B9R0.1 CC(O)COCC(Cl)CCl 34a_100000033668_100011218427 [1,1,0,0,0,0|2,0,0]=4 10550 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [1,1,0,0,0,0|2,0,0]=4 10551 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [1,1,0,0,0,0|2,0,0]=4 10552 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [1,1,0,0,0,0|2,0,0]=4 10553 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,1,0,0,0,0|2,0,0]=4 10554 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,1,0,0,0,0|2,0,0]=4 10555 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [1,1,0,0,0,0|2,0,0]=4 10556 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [1,1,0,0,0,0|2,0,0]=4 10557 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [1,1,0,0,0,0|2,0,0]=4 10558 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [1,1,0,0,0,0|2,0,0]=4 10559 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|1,0,1]=4 10560 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|1,0,1]=4 10561 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,1,0,0,0,0|0,0,1]=3 10562 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,1,0,0,0,0|1,0,1]=4 10563 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,1,0,0,0,0|1,0,1]=4 10564 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,1,0,0,0,0|1,0,1]=4 10565 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,1,0,0,0,0|1,0,1]=4 10566 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,1,0,0,0,0|1,0,1]=4 10567 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,1,0,0,0,0|1,0,1]=4 10568 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [1,1,0,0,0,0|1,0,1]=4 10569 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [1,1,0,0,0,0|1,0,1]=4 10570 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,1,0,0,0,0|2,0,0]=4 10571 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,1,0,0,0,0|2,0,0]=4 10572 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,1,0,0,0,0|2,0,0]=4 10573 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,1,0,0,0,0|2,0,0]=4 10574 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,1,0,0,0,0|2,0,0]=4 10575 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,1,0,0,0,0|2,0,0]=4 10576 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,1,0,0,0,0|2,0,0]=4 10577 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [1,1,0,0,0,0|1,0,0]=3 10578 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [1,1,0,0,0,0|1,0,0]=3 10579 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [1,1,0,0,0,0|1,0,0]=3 10580 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [1,1,0,0,0,0|1,0,0]=3 10581 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [1,1,0,0,0,0|1,0,0]=3 10582 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [1,1,0,0,0,0|2,0,0]=4 10583 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,1,0,0,0,0|2,0,0]=4 10584 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [1,1,0,0,0,0|2,0,0]=4 10585 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [1,1,0,0,0,0|2,0,0]=4 10586 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [1,1,0,0,0,0|2,0,0]=4 10587 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,1,0,0,0,0|2,0,0]=4 10588 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,1,0,0,0,0|2,0,0]=4 10589 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,1,0,0,0,0|1,0,0]=3 10590 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,1,0,0,0,0|1,0,0]=3 10591 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,1,0,0,0,0|1,0,0]=3 10592 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,1,0,0,0,0|1,0,0]=3 10593 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,1,0,0,0,0|2,0,0]=4 10594 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,1,0,0,0,0|2,0,0]=4 10595 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [1,1,0,0,0,0|1,0,0]=3 10596 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [1,1,0,0,0,0|1,0,0]=3 10597 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [1,1,0,0,0,0|2,0,0]=4 10598 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,1,0,0,0,0|2,0,0]=4 10599 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,1,0,0,0,0|2,0,0]=4 10600 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,1,0,0,0,0|2,0,0]=4 10601 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [1,1,0,0,0,0|1,0,0]=3 10602 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [1,1,0,0,0,0|2,0,0]=4 10603 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,1,0,0,0,0|2,0,0]=4 10604 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,1,0,0,0,0|2,0,0]=4 10605 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [1,1,0,0,0,0|1,0,0]=3 10606 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [1,1,0,0,0,0|1,0,0]=3 10607 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 10608 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [1,1,0,0,0,0|2,0,0]=4 10609 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [1,1,0,0,0,0|2,0,0]=4 10610 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 10611 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [1,1,0,0,0,0|1,0,0]=3 10612 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [1,1,0,0,0,0|1,0,0]=3 10613 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [1,1,0,0,0,0|1,0,0]=3 10614 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [1,1,0,0,0,0|1,0,0]=3 10615 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [1,1,0,0,0,0|2,0,0]=4 10616 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [1,1,0,0,0,0|2,0,0]=4 10617 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [1,1,0,0,0,0|2,0,0]=4 10618 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [1,1,0,0,0,0|2,0,0]=4 10619 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [1,1,0,0,0,0|2,0,0]=4 10620 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [1,1,0,0,0,0|2,0,0]=4 10621 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [1,1,0,0,0,0|2,0,0]=4 10622 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [1,1,0,0,0,0|1,0,0]=3 10623 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [1,1,0,0,0,0|1,0,0]=3 10624 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [1,1,0,0,0,0|1,0,0]=3 10625 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [1,1,0,0,0,0|1,0,0]=3 10626 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,1,0,0,0,0|2,0,0]=4 10627 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,1,0,0,0,0|2,0,0]=4 10628 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [1,1,0,0,0,0|1,0,0]=3 10629 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [1,1,0,0,0,0|1,0,0]=3 10630 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,1,0,0,0,0|2,0,0]=4 10631 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,1,0,0,0,0|2,0,0]=4 10632 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [1,1,0,0,0,0|1,0,0]=3 10633 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [1,1,0,0,0,0|1,0,0]=3 10634 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [1,1,0,0,0,0|2,0,0]=4 10635 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,1,0,0,0,0|2,0,0]=4 10636 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,1,0,0,0,0|2,0,0]=4 10637 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [1,1,0,0,0,0|2,0,0]=4 10638 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,1,0,0,0,0|1,0,0]=3 10639 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [1,1,0,0,0,0|2,0,0]=4 10640 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [1,1,0,0,0,0|2,0,0]=4 10641 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,1,0,0,0,0|1,0,0]=3 10642 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,1,0,0,0,0|2,0,0]=4 10643 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,1,0,0,0,0|2,0,0]=4 10644 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,1,0,0,0,0|1,0,0]=3 10645 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,1,0,0,0,0|1,0,0]=3 10646 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,1,0,0,0,0|1,0,0]=3 10647 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,1,0,0,0,0|1,0,0]=3 10648 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,1,0,0,0,0|1,0,1]=4 10649 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,1,0,0,0,0|1,0,1]=4 10650 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,1,0,0,0,0|2,0,0]=4 10651 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,1,0,0,0,0|2,0,0]=4 10652 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,1,0,0,0,0|2,0,0]=4 10653 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,1,0,0,0,0|2,0,0]=4 10654 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [1,1,0,0,0,0|2,0,0]=4 10655 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [1,1,0,0,0,0|2,0,0]=4 10656 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [1,1,0,0,0,0|2,0,0]=4 10657 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [1,1,0,0,0,0|2,0,0]=4 10658 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [1,1,0,0,0,0|2,0,0]=4 10659 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [1,1,0,0,0,0|2,0,0]=4 10660 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,1,0,0,0,0|2,0,0]=4 10661 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,1,0,0,0,0|2,0,0]=4 10662 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [1,1,0,0,0,0|2,0,0]=4 10663 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [1,1,0,0,0,0|2,0,0]=4 10664 B9R0.1 C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100009817552 [1,1,0,0,0,0|2,0,0]=4 10665 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [1,1,0,0,0,0|2,0,0]=4 10666 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [1,1,0,0,0,0|2,0,0]=4 10667 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [1,1,0,0,0,0|2,0,0]=4 10668 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [1,1,0,0,0,0|2,0,0]=4 10669 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [1,1,0,0,0,0|2,0,0]=4 10670 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [1,1,0,0,0,0|2,0,0]=4 10671 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [1,1,0,0,0,0|2,0,0]=4 10672 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [1,1,0,0,0,0|2,0,0]=4 10673 B9R0.4 CC(O)CN(C)CCCF 2230a_100000227577_100011934791 [1,1,0,0,0,0|2,0,0]=4 10674 B9R0.4 CC(O)CN(C)CCCF 269982a_100000227577_100011934791 [1,1,0,0,0,0|2,0,0]=4 10675 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 10676 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [1,1,0,0,0,0|2,0,0]=4 10677 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 10678 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [1,1,0,0,0,0|2,0,0]=4 10679 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,1]=4 10680 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,1]=4 10681 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|0,0,1]=3 10682 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|0,0,1]=3 10683 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [1,1,0,0,0,0|2,0,0]=4 10684 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [1,1,0,0,0,0|2,0,0]=4 10685 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [1,1,0,0,0,0|2,0,0]=4 10686 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,1,0,0,0,0|2,0,0]=4 10687 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,1,0,0,0,0|2,0,0]=4 10688 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,1,0,0,0,0|2,0,0]=4 10689 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [1,1,0,0,0,0|2,0,0]=4 10690 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [1,1,0,0,0,0|2,0,0]=4 10691 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [1,1,0,0,0,0|2,0,0]=4 10692 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 10693 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [1,1,0,0,0,0|2,0,0]=4 10694 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 10695 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [1,1,0,0,0,0|2,0,0]=4 10696 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [1,1,0,0,0,0|1,0,0]=3 10697 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [1,1,0,0,0,0|1,0,0]=3 10698 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [1,1,0,0,0,0|1,0,0]=3 10699 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [1,1,0,0,0,0|1,0,0]=3 10700 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [1,1,0,0,0,0|1,0,0]=3 10701 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [1,1,0,0,0,0|1,0,0]=3 10702 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|1,0,1]=4 10703 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,1,0,0,0,0|2,0,0]=4 10704 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,1,0,0,0,0|2,0,0]=4 10705 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,1,0,0,0,0|2,0,0]=4 10706 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,1,0,0,0,0|2,0,0]=4 10707 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,1,0,0,0,0|2,0,0]=4 10708 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,1,0,0,0,0|2,0,0]=4 10709 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|1,0,1]=4 10710 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [1,1,0,0,0,0|2,0,0]=4 10711 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|2,0,0]=4 10712 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|1,0,1]=4 10713 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|1,0,1]=4 10714 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|1,0,1]=4 10715 B9R0.4 COCCN(C)CC(C)O 2230a_100000227577_100011201679 [1,1,0,0,0,0|2,0,0]=4 10716 B9R0.4 COCCN(C)CC(C)O 2230a_100000743101_100011218427 [1,1,0,0,0,0|2,0,0]=4 10717 B9R0.4 COCCN(C)CC(C)O 269982a_100000227577_100000233755 [1,1,0,0,0,0|2,0,0]=4 10718 B9R0.4 COCCN(C)CC(C)O 269982a_100000743101_100011218427 [1,1,0,0,0,0|2,0,0]=4 10719 B9R0.4 COCCN(C)C[C@@H](C)O 2230a_100000743101_100009817552 [1,1,0,0,0,0|2,0,0]=4 10720 B9R0.4 COCCN(C)C[C@@H](C)O 269982a_100000743101_100009817552 [1,1,0,0,0,0|2,0,0]=4 10721 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [1,1,0,0,0,0|2,0,0]=4 10722 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|1,0,1]=4 10723 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|1,0,1]=4 10724 B9R0.4 CSCCN(C)CC(C)O 2230a_100000227577_100000751147 [1,1,0,0,0,0|2,0,0]=4 10725 B9R0.4 CSCCN(C)CC(C)O 2230a_100000686725_100011218427 [1,1,0,0,0,0|2,0,0]=4 10726 B9R0.4 CSCCN(C)CC(C)O 269982a_100000227577_100000212216 [1,1,0,0,0,0|2,0,0]=4 10727 B9R0.4 CSCCN(C)CC(C)O 269982a_100000686725_100011218427 [1,1,0,0,0,0|2,0,0]=4 10728 B9R0.4 CSCCN(C)C[C@@H](C)O 2230a_100000686725_100009817552 [1,1,0,0,0,0|2,0,0]=4 10729 B9R0.4 CSCCN(C)C[C@@H](C)O 269982a_100000686725_100009817552 [1,1,0,0,0,0|2,0,0]=4 10730 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|1,0,1]=4 10731 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|1,0,1]=4 10732 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 10733 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 10734 B9R0.38 CC(C)(O)CCCSCF 62a_100009888830_100015361967 [1,1,0,0,0,0|2,0,0]=4 10735 B9R0.38 CC(C)(O)CCCSCF 62a_100015361967_100009888830 [1,1,0,0,0,0|2,0,0]=4 10736 B9R0.38 CC(C)(O)CCNCCF 34a_100000724931_100000702414 [1,1,0,0,0,0|2,0,0]=4 10737 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [1,1,0,0,0,0|2,0,0]=4 10738 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [1,1,0,0,0,0|2,0,0]=4 10739 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [1,1,0,0,0,0|2,0,0]=4 10740 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [1,1,0,0,0,0|2,0,0]=4 10741 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [1,1,0,0,0,0|2,0,0]=4 10742 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [1,1,0,0,0,0|2,0,0]=4 10743 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [1,1,0,0,0,0|2,0,0]=4 10744 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [1,1,0,0,0,0|2,0,0]=4 10745 B9R0.38 CC(C)(O)CNCCCF 2230a_100000751335_100011934791 [1,1,0,0,0,0|2,0,0]=4 10746 B9R0.38 CC(C)(O)CNCCCF 34a_100015189416_100000764493 [1,1,0,0,0,0|2,0,0]=4 10747 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [1,1,0,0,0,0|2,0,0]=4 10748 B9R0.38 CC(C)(O)COCCCBr 34a_100011217188_100000764493 [1,1,0,0,0,0|2,0,0]=4 10749 B9R0.38 CC(C)(O)COCCCCl 34a_100000230001_100000764493 [1,1,0,0,0,0|2,0,0]=4 10750 B9R0.38 CC(C)(O)COCCCF 34a_100000759539_100000764493 [1,1,0,0,0,0|2,0,0]=4 10751 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [1,1,0,0,0,0|2,0,0]=4 10752 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [1,1,0,0,0,0|2,0,0]=4 10753 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [1,1,0,0,0,0|2,0,0]=4 10754 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [1,1,0,0,0,0|2,0,0]=4 10755 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [1,1,0,0,0,0|2,0,0]=4 10756 B9R0.38 CCCCCNC(C)(C)C 2230a_100000715429_100000210326 [1,1,0,0,0,0|2,0,0]=4 10757 B9R0.38 CCCCCOC(C)(C)C 34a_100000210253_100000210625 [1,1,0,0,0,0|2,0,0]=4 10758 B9R0.38 CCCCCOC(C)(C)C 34a_100015890283_100000718602 [1,1,0,0,0,0|2,0,0]=4 10759 B9R0.38 CCCCCOC(C)(C)C 7a_100015890283_100000210326 [1,1,0,0,0,0|2,0,0]=4 10760 B9R0.38 CCCCCSC(C)(C)C 62a_100000210326_100000211941 [1,1,0,0,0,0|2,0,0]=4 10761 B9R0.38 CCCCCSC(C)(C)C 62a_100000211941_100000210326 [1,1,0,0,0,0|2,0,0]=4 10762 B9R0.38 CCCCNCC(C)(C)C 2230a_100000743828_100000210211 [1,1,0,0,0,0|2,0,0]=4 10763 B9R0.38 CCCCNCC(C)(C)C 270004a_100000102301_100011204126 [1,1,0,0,0,0|2,0,0]=4 10764 B9R0.38 CCCCNCC(C)(C)F 2230a_100020643315_100000210211 [1,1,0,0,0,0|2,0,0]=4 10765 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [1,1,0,0,0,0|1,0,0]=3 10766 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [1,1,0,0,0,0|1,0,0]=3 10767 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [1,1,0,0,0,0|2,0,0]=4 10768 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [1,1,0,0,0,0|2,0,0]=4 10769 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [1,1,0,0,0,0|2,0,0]=4 10770 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [1,1,0,0,0,0|1,0,0]=3 10771 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [1,1,0,0,0,0|1,0,0]=3 10772 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [1,1,0,0,0,0|2,0,0]=4 10773 B9R0.38 CCCCSCC(C)(C)C 62a_100000210211_100011219605 [1,1,0,0,0,0|2,0,0]=4 10774 B9R0.38 CCCCSCC(C)(C)C 62a_100011219605_100000210210 [1,1,0,0,0,0|2,0,0]=4 10775 B9R0.38 CCCCSCC(C)(C)F 62a_100000210211_100011997219 [1,1,0,0,0,0|2,0,0]=4 10776 B9R0.38 CCCCSCC(C)(C)F 62a_100011997219_100000210210 [1,1,0,0,0,0|2,0,0]=4 10777 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [1,1,0,0,0,0|1,0,0]=3 10778 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [1,1,0,0,0,0|1,0,0]=3 10779 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [1,1,0,0,0,0|2,0,0]=4 10780 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [1,1,0,0,0,0|2,0,0]=4 10781 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [1,1,0,0,0,0|2,0,0]=4 10782 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [1,1,0,0,0,0|2,0,0]=4 10783 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [1,1,0,0,0,0|1,0,0]=3 10784 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [1,1,0,0,0,0|2,0,0]=4 10785 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [1,1,0,0,0,0|2,0,0]=4 10786 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [1,1,0,0,0,0|1,0,0]=3 10787 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [1,1,0,0,0,0|1,0,0]=3 10788 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [1,1,0,0,0,0|1,0,0]=3 10789 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [1,1,0,0,0,0|1,0,0]=3 10790 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [1,1,0,0,0,0|2,0,0]=4 10791 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [1,1,0,0,0,0|2,0,0]=4 10792 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [1,1,0,0,0,0|1,0,0]=3 10793 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [1,1,0,0,0,0|1,0,0]=3 10794 B9R0.38 COCCNCC(C)(C)O 2230a_100000751335_100011201679 [1,1,0,0,0,0|2,0,0]=4 10795 B9R0.38 COCCOCC(C)(C)O 34a_100000210237_100000764493 [1,1,0,0,0,0|2,0,0]=4 10796 B9R0.38 COCCSCC(C)(C)O 62a_100000233755_100000764493 [1,1,0,0,0,0|2,0,0]=4 10797 B9R0.38 COCCSCC(C)(C)O 62a_100000764493_100000233755 [1,1,0,0,0,0|2,0,0]=4 10798 B9R0.38 COCSCCC(C)(C)O 62a_100000702414_100000766300 [1,1,0,0,0,0|2,0,0]=4 10799 B9R0.38 COCSCCC(C)(C)O 62a_100000766300_100000702414 [1,1,0,0,0,0|2,0,0]=4 10800 B9R0.38 CSCCNCC(C)(C)O 2230a_100000751335_100000751147 [1,1,0,0,0,0|2,0,0]=4 10801 B9R0.38 CSCCOCC(C)(C)O 34a_100000230434_100000764493 [1,1,0,0,0,0|2,0,0]=4 10802 B9R0.38 CSCCOCC(C)(C)O 7a_100000230434_100000764493 [1,1,0,0,0,0|2,0,0]=4 10803 B9R0.38 CSCCSCC(C)(C)O 62a_100000212216_100000764493 [1,1,0,0,0,0|2,0,0]=4 10804 B9R0.38 CSCCSCC(C)(C)O 62a_100000764493_100000751147 [1,1,0,0,0,0|2,0,0]=4 10805 B9R0.38 CSCSCCC(C)(C)O 62a_100000702414_100011218213 [1,1,0,0,0,0|2,0,0]=4 10806 B9R0.38 CSCSCCC(C)(C)O 62a_100011218213_100000702414 [1,1,0,0,0,0|2,0,0]=4 10807 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [1,1,0,0,0,0|1,0,1]=4 10808 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [1,1,0,0,0,0|1,0,1]=4 10809 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [1,1,0,0,0,0|1,0,1]=4 10810 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,1,0,0,0,0|1,0,1]=4 10811 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|0,0,1]=3 10812 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|0,0,1]=3 10813 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|0,0,2]=4 10814 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|0,0,2]=4 10815 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|0,0,2]=4 10816 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [1,1,0,0,0,0|2,0,0]=4 10817 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [1,1,0,0,0,0|2,0,0]=4 10818 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [1,1,0,0,0,0|2,0,0]=4 10819 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [1,1,0,0,0,0|2,0,0]=4 10820 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [1,1,0,0,0,0|2,0,0]=4 10821 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [1,1,0,0,0,0|2,0,0]=4 10822 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [1,1,0,0,0,0|2,0,0]=4 10823 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [1,1,0,0,0,0|2,0,0]=4 10824 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [1,1,0,0,0,0|2,0,0]=4 10825 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [1,1,0,0,0,0|2,0,0]=4 10826 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [1,1,0,0,0,0|1,0,1]=4 10827 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [1,1,0,0,0,0|1,0,1]=4 10828 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [1,1,0,0,0,0|1,0,1]=4 10829 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [1,1,0,0,0,0|2,0,0]=4 10830 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [1,1,0,0,0,0|2,0,0]=4 10831 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [1,1,0,0,0,0|2,0,0]=4 10832 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [1,1,0,0,0,0|2,0,0]=4 10833 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [1,1,0,0,0,0|2,0,0]=4 10834 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [1,1,0,0,0,0|1,0,1]=4 10835 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [1,1,0,0,0,0|1,0,1]=4 10836 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [1,1,0,0,0,0|2,0,0]=4 10837 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [1,1,0,0,0,0|1,0,1]=4 10838 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [1,1,0,0,0,0|1,0,1]=4 10839 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [1,1,0,0,0,0|1,0,1]=4 10840 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [1,1,0,0,0,0|1,0,1]=4 10841 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [1,1,0,0,0,0|1,0,1]=4 10842 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [1,1,0,0,0,0|1,0,1]=4 10843 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [1,1,0,0,0,0|1,0,1]=4 10844 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [1,1,0,0,0,0|1,0,1]=4 10845 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [1,1,0,0,0,0|2,0,0]=4 10846 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [1,1,0,0,0,0|2,0,0]=4 10847 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [1,1,0,0,0,0|2,0,0]=4 10848 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,1,0,0,0,0|1,0,1]=4 10849 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [1,1,0,0,0,0|2,0,0]=4 10850 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [1,1,0,0,0,0|2,0,0]=4 10851 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [1,1,0,0,0,0|2,0,0]=4 10852 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [1,1,0,0,0,0|2,0,0]=4 10853 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [1,1,0,0,0,0|2,0,0]=4 10854 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [1,1,0,0,0,0|2,0,0]=4 10855 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [1,1,0,0,0,0|2,0,0]=4 10856 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [1,1,0,0,0,0|2,0,0]=4 10857 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [1,1,0,0,0,0|2,0,0]=4 10858 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,1]=4 10859 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,1]=4 10860 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|0,0,1]=3 10861 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,1,0,0,0,0|1,0,1]=4 10862 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,1,0,0,0,0|1,0,1]=4 10863 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,1,0,0,0,0|1,0,1]=4 10864 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [1,1,0,0,0,0|2,0,0]=4 10865 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [1,1,0,0,0,0|2,0,0]=4 10866 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [1,1,0,0,0,0|2,0,0]=4 10867 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [1,1,0,0,0,0|2,0,0]=4 10868 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [1,1,0,0,0,0|2,0,0]=4 10869 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [1,1,0,0,0,0|2,0,0]=4 10870 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [1,1,0,0,0,0|2,0,0]=4 10871 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [1,1,0,0,0,0|2,0,0]=4 10872 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [1,1,0,0,0,0|2,0,0]=4 10873 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [1,1,0,0,0,0|2,0,0]=4 10874 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [1,1,0,0,0,0|2,0,0]=4 10875 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [1,1,0,0,0,0|2,0,0]=4 10876 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [1,1,0,0,0,0|1,0,0]=3 10877 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [1,1,0,0,0,0|1,0,0]=3 10878 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [1,1,0,0,0,0|1,0,0]=3 10879 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [1,1,0,0,0,0|1,0,0]=3 10880 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [1,1,0,0,0,0|1,0,0]=3 10881 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [1,1,0,0,0,0|2,0,0]=4 10882 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,1,0,0,0,0|2,0,0]=4 10883 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,1,0,0,0,0|2,0,0]=4 10884 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,1,0,0,0,0|2,0,0]=4 10885 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [1,1,0,0,0,0|2,0,0]=4 10886 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [1,1,0,0,0,0|1,0,0]=3 10887 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [1,1,0,0,0,0|1,0,0]=3 10888 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [1,1,0,0,0,0|2,0,0]=4 10889 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [1,1,0,0,0,0|2,0,0]=4 10890 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [1,1,0,0,0,0|1,0,0]=3 10891 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [1,1,0,0,0,0|1,0,0]=3 10892 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [1,1,0,0,0,0|2,0,0]=4 10893 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [1,1,0,0,0,0|2,0,0]=4 10894 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [1,1,0,0,0,0|1,0,0]=3 10895 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [1,1,0,0,0,0|1,0,0]=3 10896 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [1,1,0,0,0,0|1,0,0]=3 10897 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [1,1,0,0,0,0|1,0,0]=3 10898 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [1,1,0,0,0,0|2,0,0]=4 10899 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [1,1,0,0,0,0|2,0,0]=4 10900 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [1,1,0,0,0,0|2,0,0]=4 10901 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [1,1,0,0,0,0|2,0,0]=4 10902 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [1,1,0,0,0,0|1,0,0]=3 10903 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [1,1,0,0,0,0|1,0,0]=3 10904 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [1,1,0,0,0,0|2,0,0]=4 10905 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [1,1,0,0,0,0|2,0,0]=4 10906 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [1,1,0,0,0,0|2,0,0]=4 10907 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [1,1,0,0,0,0|2,0,0]=4 10908 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [1,1,0,0,0,0|2,0,0]=4 10909 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [1,1,0,0,0,0|2,0,0]=4 10910 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [1,1,0,0,0,0|2,0,0]=4 10911 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [1,1,0,0,0,0|2,0,0]=4 10912 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [1,1,0,0,0,0|2,0,0]=4 10913 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,1,0,0,0,0|1,0,1]=4 10914 B9R0.48 COCC(C)NCC(C)O 2230a_100000210904_100000765312 [1,1,0,0,0,0|2,0,0]=4 10915 B9R0.48 COCC(C)NCC(C)O 270004a_100000210904_100000749346 [1,1,0,0,0,0|2,0,0]=4 10916 B9R0.48 COCC(C)NCC(C)O 34a_100000210904_100000765312 [1,1,0,0,0,0|2,0,0]=4 10917 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [1,1,0,0,0,0|2,0,0]=4 10918 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [1,1,0,0,0,0|2,0,0]=4 10919 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [1,1,0,0,0,0|2,0,0]=4 10920 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [1,1,0,0,0,0|2,0,0]=4 10921 B9R0.48 COC[C@@H](C)NCC(C)O 2230a_100000764878_100011218427 [1,1,0,0,0,0|2,0,0]=4 10922 B9R0.48 COC[C@@H](C)NC[C@@H](C)O 2230a_100000764878_100009817552 [1,1,0,0,0,0|2,0,0]=4 10923 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [1,1,0,0,0,0|2,0,0]=4 10924 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [1,1,0,0,0,0|2,0,0]=4 10925 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,1,0,0,0,0|1,0,1]=4 10926 B9R0.48 CSCC(C)NCC(C)O 270004a_100000210904_100011216314 [1,1,0,0,0,0|2,0,0]=4 10927 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [1,1,0,0,0,0|2,0,0]=4 10928 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [1,1,0,0,0,0|2,0,0]=4 10929 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [1,1,0,0,0,0|1,0,1]=4 10930 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [1,1,0,0,0,0|1,0,1]=4 10931 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [1,1,0,0,0,0|1,0,1]=4 10932 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [1,1,0,0,0,0|1,0,1]=4 10933 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [1,1,0,0,0,0|1,0,1]=4 10934 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [1,1,0,0,0,0|1,0,1]=4 10935 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [1,1,0,0,0,0|1,0,1]=4 10936 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [1,1,0,0,0,0|1,0,1]=4 10937 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [1,1,0,0,0,0|1,0,1]=4 10938 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [1,1,0,0,0,0|1,0,1]=4 10939 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [1,1,0,0,0,0|1,0,1]=4 10940 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [1,1,0,0,0,0|1,0,1]=4 10941 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,2]=4 10942 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,2]=4 10943 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 10944 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 10945 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 10946 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 10947 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|1,0,1]=4 10948 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|1,0,1]=4 10949 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|1,0,1]=4 10950 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|1,0,1]=4 10951 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|1,0,1]=4 10952 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [1,1,0,0,0,0|1,0,0]=3 10953 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,2]=4 10954 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [1,1,0,0,0,0|2,0,0]=4 10955 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [1,1,0,0,0,0|2,0,0]=4 10956 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [1,1,0,0,0,0|2,0,0]=4 10957 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [1,1,0,0,0,0|2,0,0]=4 10958 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [1,1,0,0,0,0|2,0,0]=4 10959 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [1,1,0,0,0,0|2,0,0]=4 10960 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [1,1,0,0,0,0|2,0,0]=4 10961 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [1,1,0,0,0,0|2,0,0]=4 10962 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [1,1,0,0,0,0|2,0,0]=4 10963 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [1,1,0,0,0,0|2,0,0]=4 10964 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [1,1,0,0,0,0|2,0,0]=4 10965 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [1,1,0,0,0,0|2,0,0]=4 10966 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [1,1,0,0,0,0|2,0,0]=4 10967 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [1,1,0,0,0,0|2,0,0]=4 10968 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [1,1,0,0,0,0|2,0,0]=4 10969 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,1,0,0,0,0|1,0,0]=3 10970 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,1,0,0,0,0|1,0,0]=3 10971 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,1,0,0,0,0|1,0,0]=3 10972 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,1,0,0,0,0|2,0,0]=4 10973 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,1,0,0,0,0|2,0,0]=4 10974 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,1,0,0,0,0|2,0,0]=4 10975 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,1,0,0,0,0|2,0,0]=4 10976 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,1,0,0,0,0|2,0,0]=4 10977 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,1,0,0,0,0|1,0,0]=3 10978 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,1,0,0,0,0|1,0,0]=3 10979 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,1,0,0,0,0|2,0,0]=4 10980 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,1,0,0,0,0|2,0,0]=4 10981 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,1,0,0,0,0|1,0,0]=3 10982 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,1,0,0,0,0|1,0,0]=3 10983 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,1,0,0,0,0|2,0,0]=4 10984 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,1,0,0,0,0|2,0,0]=4 10985 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,1,0,0,0,0|1,0,0]=3 10986 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,1,0,0,0,0|1,0,0]=3 10987 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,1,0,0,0,0|1,0,0]=3 10988 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,1,0,0,0,0|1,0,0]=3 10989 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [1,1,0,0,0,0|1,0,0]=3 10990 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [1,1,0,0,0,0|1,0,0]=3 10991 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [1,1,0,0,0,0|1,0,0]=3 10992 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [1,1,0,0,0,0|1,0,0]=3 10993 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,1,0,0,0,0|2,0,0]=4 10994 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,1,0,0,0,0|1,0,0]=3 10995 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,1,0,0,0,0|2,0,0]=4 10996 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [1,1,0,0,0,0|1,0,0]=3 10997 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [1,1,0,0,0,0|1,0,0]=3 10998 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [1,1,0,0,0,0|2,0,0]=4 10999 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [1,1,0,0,0,0|2,0,0]=4 11000 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [1,1,0,0,0,0|1,0,0]=3 11001 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [1,1,0,0,0,0|1,0,0]=3 11002 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [1,1,0,0,0,0|1,0,0]=3 11003 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [1,1,0,0,0,0|1,0,0]=3 11004 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [1,1,0,0,0,0|1,0,0]=3 11005 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [1,1,0,0,0,0|1,0,0]=3 11006 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [1,1,0,0,0,0|1,0,0]=3 11007 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [1,1,0,0,0,0|1,0,0]=3 11008 B9R0.55 CC(O)CCNCC(F)F 2230a_200000755665_100011934356 [1,1,0,0,0,0|2,0,0]=4 11009 B9R0.55 CC(O)CCNCC(F)F 34a_100000765723_100012276601 [1,1,0,0,0,0|2,0,0]=4 11010 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [1,1,0,0,0,0|1,0,0]=3 11011 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [1,1,0,0,0,0|1,0,0]=3 11012 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [1,1,0,0,0,0|1,0,0]=3 11013 B9R0.55 CC(O)CCOCC(F)F 34a_100000743014_100012276601 [1,1,0,0,0,0|2,0,0]=4 11014 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [1,1,0,0,0,0|1,0,0]=3 11015 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [1,1,0,0,0,0|1,0,0]=3 11016 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [1,1,0,0,0,0|1,0,0]=3 11017 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [1,1,0,0,0,0|1,0,0]=3 11018 B9R0.55 CC(O)CCSCC(F)F 62a_100011934356_100012276601 [1,1,0,0,0,0|2,0,0]=4 11019 B9R0.55 CC(O)CCSCC(F)F 62a_100012276601_100011934356 [1,1,0,0,0,0|2,0,0]=4 11020 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [1,1,0,0,0,0|1,0,0]=3 11021 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [1,1,0,0,0,0|1,0,0]=3 11022 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [1,1,0,0,0,0|2,0,0]=4 11023 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [1,1,0,0,0,0|2,0,0]=4 11024 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [1,1,0,0,0,0|1,0,0]=3 11025 B9R0.55 CC(O)COCCC(F)F 34a_100103093639_100011218427 [1,1,0,0,0,0|2,0,0]=4 11026 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [1,1,0,0,0,0|1,0,0]=3 11027 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [1,1,0,0,0,0|2,0,0]=4 11028 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [1,1,0,0,0,0|2,0,0]=4 11029 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [1,1,0,0,0,0|2,0,0]=4 11030 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [1,1,0,0,0,0|1,0,0]=3 11031 B9R0.55 C[C@@H](O)COCCC(F)F 34a_100103093639_100009817552 [1,1,0,0,0,0|2,0,0]=4 11032 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [1,1,0,0,0,0|2,0,0]=4 11033 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,2,0,0,0,0|0,0,2]=4 11034 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,2,0,0,0,0|0,0,2]=4 11035 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,2,0,0,0,0|1,0,1]=4 11036 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,2,0,0,0,0|1,0,1]=4 11037 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,2,0,0,0,0|1,0,1]=4 11038 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,2,0,0,0,0|1,0,1]=4 11039 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,2,0,0,0,0|0,0,1]=3 11040 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,2,0,0,0,0|0,0,1]=3 11041 B11R0.1 CCCC(C)CN(C)CC(C)C 2230a_100000747067_100011216630 [0,2,0,0,0,0|2,0,0]=4 11042 B11R0.1 CCCC(C)CN(C)CC(C)C 269982a_100000747067_100011216630 [0,2,0,0,0,0|2,0,0]=4 11043 B11R0.1 CCCC(C)CN(C)CC(C)C 270004a_100000747067_100000243154 [0,2,0,0,0,0|2,0,0]=4 11044 B11R0.1 CCCC(C)CN(C)CC(C)O 2230a_100000227577_100011216630 [0,2,0,0,0,0|1,0,0]=3 11045 B11R0.1 CCCC(C)CN(C)CC(C)O 269982a_100000227577_100011216630 [0,2,0,0,0,0|1,0,0]=3 11046 B11R0.1 CCCC(C)CN(C)CC(C)O 270004a_100000227577_100000243154 [0,2,0,0,0,0|1,0,0]=3 11047 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,2,0,0,0,0|1,0,1]=4 11048 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000692259_100000766640 [0,2,0,0,0,0|2,0,0]=4 11049 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000741246_100000731052 [0,2,0,0,0,0|2,0,0]=4 11050 B11R0.1 CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000211909 [0,2,0,0,0,0|2,0,0]=4 11051 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000211805_100000766640 [0,2,0,0,0,0|2,0,0]=4 11052 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000764384_100000731052 [0,2,0,0,0,0|2,0,0]=4 11053 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000211805_100000766640 [0,2,0,0,0,0|2,0,0]=4 11054 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000764384_100000731052 [0,2,0,0,0,0|2,0,0]=4 11055 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000731052_100000766640 [0,2,0,0,0,0|2,0,0]=4 11056 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000766640_100000731052 [0,2,0,0,0,0|2,0,0]=4 11057 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,2,0,0,0,0|1,0,1]=4 11058 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,2,0,0,0,0|1,0,1]=4 11059 B11R0.1 COCC(O)CN(C)CC(C)O 2230a_100000739405_100011218427 [0,2,0,0,0,0|2,0,0]=4 11060 B11R0.1 COCC(O)CN(C)CC(C)O 269982a_100000739405_100011218427 [0,2,0,0,0,0|2,0,0]=4 11061 B11R0.1 COCC(O)CN(C)C[C@@H](C)O 2230a_100000739405_100009817552 [0,2,0,0,0,0|2,0,0]=4 11062 B11R0.1 COCC(O)CN(C)C[C@@H](C)O 269982a_100000739405_100009817552 [0,2,0,0,0,0|2,0,0]=4 11063 B11R0.6 C=C(C)CN(C)CCCC(C)O 2230a_100000225649_200000718107 [0,2,0,0,0,0|1,0,1]=4 11064 B11R0.6 C=C(C)CN(C)CCCC(C)O 269982a_100000225649_200000718107 [0,2,0,0,0,0|1,0,1]=4 11065 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|0,0,2]=4 11066 B11R0.6 CC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011215641 [0,2,0,0,0,0|1,0,1]=4 11067 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,2,0,0,0,0|0,0,1]=3 11068 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,2,0,0,0,0|1,0,1]=4 11069 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,2,0,0,0,0|1,0,1]=4 11070 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_100000692259_100012276601 [0,2,0,0,0,0|1,0,0]=3 11071 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_200000755665_100000731052 [0,2,0,0,0,0|1,0,0]=3 11072 B11R0.6 CC(C)CC(C)OCCC(C)Br 34a_100009893172_100000731052 [0,2,0,0,0,0|2,0,0]=4 11073 B11R0.6 CC(C)CC(C)OCCC(C)O 34a_100000211805_100012276601 [0,2,0,0,0,0|1,0,0]=3 11074 B11R0.6 CC(C)CC(C)OCCC(C)O 7a_100000211805_100012276601 [0,2,0,0,0,0|1,0,0]=3 11075 B11R0.6 CC(C)CC(C)OCC[C@@H](C)N 34a_100000706166_100000731052 [0,2,0,0,0,0|2,0,0]=4 11076 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100000731052_100012276601 [0,2,0,0,0,0|1,0,0]=3 11077 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100012276601_100000731052 [0,2,0,0,0,0|1,0,0]=3 11078 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,2,0,0,0,0|1,0,1]=4 11079 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,2,0,0,0,0|1,0,1]=4 11080 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,2,0,0,0,0|0,0,1]=3 11081 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,2,0,0,0,0|0,0,1]=3 11082 B11R0.6 CC(C)CCCC(C)NC(C)C 2230a_100000210607_100000210206 [0,2,0,0,0,0|2,0,0]=4 11083 B11R0.6 CC(C)CCCC(C)OC(C)C 34a_200011218570_100000210206 [0,2,0,0,0,0|2,0,0]=4 11084 B11R0.6 CC(C)CCCC(C)OC(C)C 7a_200011218570_100000210206 [0,2,0,0,0,0|2,0,0]=4 11085 B11R0.6 CC(C)CCCN(C)CC(C)C 2230a_100000747067_100011214892 [0,2,0,0,0,0|2,0,0]=4 11086 B11R0.6 CC(C)CCCN(C)CC(C)C 269982a_100000747067_100011214892 [0,2,0,0,0,0|2,0,0]=4 11087 B11R0.6 CC(C)CCCN(C)CC(C)O 2230a_100000227577_100011214892 [0,2,0,0,0,0|1,0,0]=3 11088 B11R0.6 CC(C)CCCN(C)CC(C)O 269982a_100000227577_100011214892 [0,2,0,0,0,0|1,0,0]=3 11089 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,2,0,0,0,0|1,0,1]=4 11090 B11R0.6 CC(C)CCNC(C)CC(C)C 2230a_100000692259_100000210312 [0,2,0,0,0,0|2,0,0]=4 11091 B11R0.6 CC(C)CCNC(C)CC(C)C 269862a_100000692259_100000185833 [0,2,0,0,0,0|2,0,0]=4 11092 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,2,0,0,0,0|2,0,0]=4 11093 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,2,0,0,0,0|2,0,0]=4 11094 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,2,0,0,0,0|2,0,0]=4 11095 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,2,0,0,0,0|2,0,0]=4 11096 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,2,0,0,0,0|2,0,0]=4 11097 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,2,0,0,0,0|2,0,0]=4 11098 B11R0.6 CC(C)CN(C)CCCC(C)O 2230a_100000747067_200000718107 [0,2,0,0,0,0|1,0,0]=3 11099 B11R0.6 CC(C)CN(C)CCCC(C)O 269982a_100000747067_200000718107 [0,2,0,0,0,0|1,0,0]=3 11100 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,2,0,0,0,0|1,0,1]=4 11101 B11R0.6 CC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000210624 [0,2,0,0,0,0|2,0,0]=4 11102 B11R0.6 CC(C)C[C@H](N)CCOC(C)C 34a_100161151251_100000210206 [0,2,0,0,0,0|2,0,0]=4 11103 B11R0.6 CC(C)C[C@H](N)COCC(C)O 34a_100011830311_100011218427 [0,2,0,0,0,0|1,0,0]=3 11104 B11R0.6 CC(C)C[C@H](N)COC[C@@H](C)O 34a_100011830311_100009817552 [0,2,0,0,0,0|1,0,0]=3 11105 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,2,0,0,0,0|1,0,1]=4 11106 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,2,0,0,0,0|1,0,1]=4 11107 B11R0.6 CC(CSC[C@@H](C)O)CN(C)C 62a_100009817552_100015348159 [0,2,0,0,0,0|2,0,0]=4 11108 B11R0.6 CC(CSC[C@@H](C)O)CN(C)C 62a_100015348159_100009817552 [0,2,0,0,0,0|2,0,0]=4 11109 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,2,0,0,0,0|1,0,1]=4 11110 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,2,0,0,0,0|0,0,1]=3 11111 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,2,0,0,0,0|1,0,1]=4 11112 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,2,0,0,0,0|1,0,1]=4 11113 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,2,0,0,0,0|1,0,1]=4 11114 B11R0.6 CC(O)CCCN(C)CC(C)O 2230a_100000227577_200000718107 [0,2,0,0,0,0|1,0,0]=3 11115 B11R0.6 CC(O)CCCN(C)CC(C)O 269982a_100000227577_200000718107 [0,2,0,0,0,0|1,0,0]=3 11116 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,2,0,0,0,0|1,0,1]=4 11117 B11R0.6 CC(O)CCSC(C)CN(C)C 62a_100012276601_100020606517 [0,2,0,0,0,0|2,0,0]=4 11118 B11R0.6 CC(O)CCSC(C)CN(C)C 62a_100020606517_100012276601 [0,2,0,0,0,0|2,0,0]=4 11119 B11R0.6 CC(O)CN(C)CCCN(C)C 269982a_100000225831_100011218427 [0,2,0,0,0,0|2,0,0]=4 11120 B11R0.6 CC(O)CN(C)CCCN(C)C 269982a_100000227577_100000757444 [0,2,0,0,0,0|2,0,0]=4 11121 B11R0.6 CC(O)CN(C)CCOC(C)C 2230a_100000227577_100000211751 [0,2,0,0,0,0|2,0,0]=4 11122 B11R0.6 CC(O)CN(C)CCOC(C)C 269982a_100000227577_100000211751 [0,2,0,0,0,0|2,0,0]=4 11123 B11R0.6 CC(O)CN(C)CCSC(C)C 2230a_100000227577_100000730970 [0,2,0,0,0,0|2,0,0]=4 11124 B11R0.6 CC(O)CN(C)CCSC(C)C 269982a_100000227577_100000730970 [0,2,0,0,0,0|2,0,0]=4 11125 B11R0.6 CC(O)CNCC(C)CN(C)C 2230a_100000210904_100015348159 [0,2,0,0,0,0|2,0,0]=4 11126 B11R0.6 CC(O)CSCC(C)CN(C)C 62a_100011218427_100015348159 [0,2,0,0,0,0|2,0,0]=4 11127 B11R0.6 CC(O)CSCC(C)CN(C)C 62a_100015348159_100011218427 [0,2,0,0,0,0|2,0,0]=4 11128 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,2,0,0,0,0|1,0,1]=4 11129 B11R0.6 C[C@@H](O)CN(C)CCCN(C)C 269982a_100000225831_100009817552 [0,2,0,0,0,0|2,0,0]=4 11130 B11R0.45 C#CC(CCC)OCCC(C)C 34a_200011217317_100000210312 [0,2,0,0,0,0|2,0,0]=4 11131 B11R0.45 C#CC(CCC)OCCC(C)C 7a_200011217317_100000210626 [0,2,0,0,0,0|2,0,0]=4 11132 B11R0.45 C#CC(CCC)OCCC(C)O 34a_200011217317_100012276601 [0,2,0,0,0,0|1,0,0]=3 11133 B11R0.45 C#CC(CCC)OCCC(C)O 7a_200011217317_100012276601 [0,2,0,0,0,0|1,0,0]=3 11134 B11R0.45 C=CC(CCC)OCCC(C)C 34a_100011216692_100000210312 [0,2,0,0,0,0|2,0,0]=4 11135 B11R0.45 C=CC(CCC)OCCC(C)C 7a_100011216692_100000210626 [0,2,0,0,0,0|2,0,0]=4 11136 B11R0.45 C=CC(CCC)OCCC(C)O 34a_100011216692_100012276601 [0,2,0,0,0,0|1,0,0]=3 11137 B11R0.45 C=CC(CCC)OCCC(C)O 7a_100011216692_100012276601 [0,2,0,0,0,0|1,0,0]=3 11138 B11R0.45 CCC(COC)NCCC(C)O 2230a_100000757820_100012276601 [0,2,0,0,0,0|2,0,0]=4 11139 B11R0.45 CCC(COC)NCCC(C)O 270004a_200000755665_100000757811 [0,2,0,0,0,0|2,0,0]=4 11140 B11R0.45 CCC(COC)OCCC(C)O 7a_200011214946_100012276601 [0,2,0,0,0,0|2,0,0]=4 11141 B11R0.45 CCCC(C#N)OCCC(C)C 34a_100000686963_100000210312 [0,2,0,0,0,0|2,0,0]=4 11142 B11R0.45 CCCC(C#N)OCCC(C)C 7a_100000686963_100000210626 [0,2,0,0,0,0|2,0,0]=4 11143 B11R0.45 CCCC(C#N)OCCC(C)O 34a_100000686963_100012276601 [0,2,0,0,0,0|1,0,0]=3 11144 B11R0.45 CCCC(C#N)OCCC(C)O 7a_100000686963_100012276601 [0,2,0,0,0,0|1,0,0]=3 11145 B11R0.45 CCCC(CC)NCCC(C)C 2230a_100000747048_100000210312 [0,2,0,0,0,0|2,0,0]=4 11146 B11R0.45 CCCC(CC)NCCC(C)C 269862a_100000747048_100000185833 [0,2,0,0,0,0|2,0,0]=4 11147 B11R0.45 CCCC(CC)NCCC(C)C 270004a_100000210545_100000687865 [0,2,0,0,0,0|2,0,0]=4 11148 B11R0.45 CCCC(CC)NCCC(C)O 2230a_100000747048_100012276601 [0,2,0,0,0,0|1,0,0]=3 11149 B11R0.45 CCCC(CC)NCCC(C)O 270004a_200000755665_100000687865 [0,2,0,0,0,0|1,0,0]=3 11150 B11R0.45 CCCC(CC)OCCC(C)C 34a_100000687864_100000210312 [0,2,0,0,0,0|2,0,0]=4 11151 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000210254_100011219200 [0,2,0,0,0,0|2,0,0]=4 11152 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000687864_100000210626 [0,2,0,0,0,0|2,0,0]=4 11153 B11R0.45 CCCC(CC)OCCC(C)O 34a_100000687864_100012276601 [0,2,0,0,0,0|1,0,0]=3 11154 B11R0.45 CCCC(CC)OCCC(C)O 7a_100000687864_100012276601 [0,2,0,0,0,0|1,0,0]=3 11155 B11R0.45 CCCC(CC)SCCC(C)C 62a_100000210312_100011219200 [0,2,0,0,0,0|2,0,0]=4 11156 B11R0.45 CCCC(CC)SCCC(C)C 62a_100011219200_100000210312 [0,2,0,0,0,0|2,0,0]=4 11157 B11R0.45 CCCC(CC)SCCC(C)O 62a_100011219200_100012276601 [0,2,0,0,0,0|1,0,0]=3 11158 B11R0.45 CCCC(CC)SCCC(C)O 62a_100012276601_100011219200 [0,2,0,0,0,0|1,0,0]=3 11159 B11R0.45 CCCC(CCOC(C)C)SC 34a_100000032865_100000210206 [0,2,0,0,0,0|2,0,0]=4 11160 B11R0.45 CCCC(CCOC(C)C)SC 7a_100000032865_100000210206 [0,2,0,0,0,0|2,0,0]=4 11161 B11R0.45 CCCN(CC)CCCC(C)C 2230a_100000226822_100011214892 [0,2,0,0,0,0|2,0,0]=4 11162 B11R0.45 CCCN(CC)CCCC(C)C 269982a_100000226822_100011214892 [0,2,0,0,0,0|2,0,0]=4 11163 B11R0.45 CCCN(CC)CCCC(C)O 2230a_100000226822_200000718107 [0,2,0,0,0,0|1,0,0]=3 11164 B11R0.45 CCCN(CC)CCCC(C)O 269982a_100000226822_200000718107 [0,2,0,0,0,0|1,0,0]=3 11165 B11R0.45 CCC[C@@H](CO)NCCC(C)C 2230a_100000732646_100000210312 [0,2,0,0,0,0|2,0,0]=4 11166 B11R0.45 CCC[C@@H](CO)NCCC(C)C 269862a_100000732646_100000185833 [0,2,0,0,0,0|2,0,0]=4 11167 B11R0.45 CCC[C@@H](CO)NCCC(C)C 34a_100000732646_100000210312 [0,2,0,0,0,0|2,0,0]=4 11168 B11R0.45 CCC[C@@H](CO)NCCC(C)O 2230a_100000732646_100012276601 [0,2,0,0,0,0|1,0,0]=3 11169 B11R0.45 CCC[C@@H](CO)NCCC(C)O 34a_100000732646_100012276601 [0,2,0,0,0,0|1,0,0]=3 11170 B11R0.45 CCN(CCO)CCCC(C)O 2230a_100000210973_200000718107 [0,2,0,0,0,0|2,0,0]=4 11171 B11R0.45 CCN(CCO)CCCC(C)O 269982a_100000210973_200000718107 [0,2,0,0,0,0|2,0,0]=4 11172 B11R0.45 CCOC(CC)CNCC(C)O 2230a_100015183923_100011218427 [0,2,0,0,0,0|2,0,0]=4 11173 B11R0.45 CCOC(CC)CNCC(C)O 34a_100015183923_100011218427 [0,2,0,0,0,0|2,0,0]=4 11174 B11R0.45 CCOC(CC)CNC[C@@H](C)O 2230a_100015183923_100009817552 [0,2,0,0,0,0|2,0,0]=4 11175 B11R0.45 CCOC(CC)CNC[C@@H](C)O 34a_100015183923_100009817552 [0,2,0,0,0,0|2,0,0]=4 11176 B11R0.45 COCC(CCl)OCCC(C)O 34a_100011215053_100012276601 [0,2,0,0,0,0|2,0,0]=4 11177 B11R0.45 COCC(CN)OCCC(C)O 34a_100000756049_100012276601 [0,2,0,0,0,0|2,0,0]=4 11178 B11R0.45 COCC(CO)NCCC(C)O 2230a_100000724102_100012276601 [0,2,0,0,0,0|2,0,0]=4 11179 B11R0.45 COCC(CO)NCCC(C)O 34a_100000724102_100012276601 [0,2,0,0,0,0|2,0,0]=4 11180 B11R0.59 CC(O)CCN(C)C(C)CCO 2230a_100000731037_100012276601 [0,2,0,0,0,0|2,0,0]=4 11181 B11R0.59 CC(O)CCN(C)C(C)CCO 269982a_100000731037_100012276601 [0,2,0,0,0,0|2,0,0]=4 11182 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,2,0,0,0,0|1,0,1]=4 11183 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000181311_100000766640 [0,2,0,0,0,0|1,0,1]=4 11184 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000210906_100000210312 [0,2,0,0,0,0|1,0,1]=4 11185 B11R0.59 CCCC(C)C(=O)CCC(C)O 1458a_100000210906_100012276601 [0,2,0,0,0,0|0,0,1]=3 11186 B11R0.59 CCCC(C)C(=O)NCC(C)O 11a_100000210904_100000210906 [0,2,0,0,0,0|1,0,1]=4 11187 B11R0.59 CCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000210906 [0,2,0,0,0,0|1,0,1]=4 11188 B11R0.59 CCCC(C)C(=O)NCC(C)O 527a_100000210904_100000210906 [0,2,0,0,0,0|1,0,1]=4 11189 B11R0.59 CCCC(C)C(C)NCC(C)C 270004a_100000210953_100011216282 [0,2,0,0,0,0|2,0,0]=4 11190 B11R0.59 CCCC(C)C(C)NCC(C)O 270004a_100000210904_100011216282 [0,2,0,0,0,0|1,0,0]=3 11191 B11R0.59 CCCC(C)C(C)OCC(C)C 34a_100000708338_100000210624 [0,2,0,0,0,0|2,0,0]=4 11192 B11R0.59 CCCC(C)C(C)OCC(C)C 7a_100000708338_100000210760 [0,2,0,0,0,0|2,0,0]=4 11193 B11R0.59 CCCC(C)C(C)OCC(C)O 34a_100000708338_100011218427 [0,2,0,0,0,0|1,0,0]=3 11194 B11R0.59 CCCC(C)C(C)OCC(C)O 7a_100000708338_100011218427 [0,2,0,0,0,0|1,0,0]=3 11195 B11R0.59 CCCC(C)C(C)OC[C@@H](C)O 34a_100000708338_100009817552 [0,2,0,0,0,0|1,0,0]=3 11196 B11R0.59 CCCC(C)C(C)OC[C@@H](C)O 7a_100000708338_100009817552 [0,2,0,0,0,0|1,0,0]=3 11197 B11R0.59 CCCC(C)N(C)CCC(C)C 2230a_100000742789_100000766640 [0,2,0,0,0,0|2,0,0]=4 11198 B11R0.59 CCCC(C)N(C)CCC(C)C 269982a_100000742789_100000766640 [0,2,0,0,0,0|2,0,0]=4 11199 B11R0.59 CCCC(C)N(C)CCC(C)C 270004a_100000742789_100000211909 [0,2,0,0,0,0|2,0,0]=4 11200 B11R0.59 CCCN(C)C(=O)CCC(C)O 1626a_100000747261_100000718519 [0,2,0,0,0,0|1,0,1]=4 11201 B11R0.59 CCCN(C)C(C)CCC(C)C 2230a_100000747261_100011261404 [0,2,0,0,0,0|2,0,0]=4 11202 B11R0.59 CCCN(C)C(C)CCC(C)C 269982a_100000747261_100011261404 [0,2,0,0,0,0|2,0,0]=4 11203 B11R0.59 CCCN(C)C(C)CCC(C)C 270004a_100000747261_100000210476 [0,2,0,0,0,0|2,0,0]=4 11204 B11R0.59 CCC[C@H](O)C(=O)CCC(C)C 1458a_100009822183_100000210312 [0,2,0,0,0,0|1,0,1]=4 11205 B11R0.59 CCC[C@H](O)C(=O)CCC(C)O 1458a_100009822183_100012276601 [0,2,0,0,0,0|0,0,1]=3 11206 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O 240690a_100000210904_100009822183 [0,2,0,0,0,0|1,0,1]=4 11207 B11R0.59 CCOC(C)C(=O)CCC(C)O 1458a_100000739345_100012276601 [0,2,0,0,0,0|1,0,1]=4 11208 B11R0.59 CCSC(C)C(=O)CCC(C)O 1458a_100000230601_100012276601 [0,2,0,0,0,0|1,0,1]=4 11209 B11R0.59 COCC(C)C(=O)CCC(C)O 1458a_100000751857_100012276601 [0,2,0,0,0,0|1,0,1]=4 11210 B11R0.59 CSCC(C)C(=O)CCC(C)O 1458a_100000753918_100012276601 [0,2,0,0,0,0|1,0,1]=4 11211 B11R0.104 CC(O)CCOC(C)(C)CCBr 7a_100000702414_100012276601 [0,2,0,0,0,0|2,0,0]=4 11212 B11R0.104 CCCC(C)(C)COCC(C)C 7a_100011995695_100000210760 [0,2,0,0,0,0|2,0,0]=4 11213 B11R0.104 CCCC(C)(C)COCC(C)O 7a_100011995695_100011218427 [0,2,0,0,0,0|1,0,0]=3 11214 B11R0.104 CCCC(C)(C)COC[C@@H](C)O 7a_100011995695_100009817552 [0,2,0,0,0,0|1,0,0]=3 11215 B11R0.104 CCCC(C)(C)OCCC(C)C 7a_100000748436_100000210626 [0,2,0,0,0,0|2,0,0]=4 11216 B11R0.104 CCCC(C)(C)OCCC(C)O 7a_100000748436_100012276601 [0,2,0,0,0,0|1,0,0]=3 11217 B11R0.104 CCCS(=O)(=O)NCCC(C)O 270084a_200000755665_100000211391 [0,2,0,0,0,0|2,0,0]=4 11218 B11R0.104 CCCS(=O)(=O)NCCC(C)O 274078a_200000755665_100000211391 [0,2,0,0,0,0|2,0,0]=4 11219 B11R0.104 CCCS(=O)(=O)NCCC(C)O 40a_200000755665_100000054278 [0,2,0,0,0,0|2,0,0]=4 11220 B11R0.104 CCNC(C)(C)COCC(C)O 7a_100000747347_100011218427 [0,2,0,0,0,0|2,0,0]=4 11221 B11R0.104 CCNC(C)(C)COC[C@@H](C)O 7a_100000747347_100009817552 [0,2,0,0,0,0|2,0,0]=4 11222 B11R0.104 CCOC(C)(C)CCCC(C)C 7a_100011215742_100000210202 [0,2,0,0,0,0|2,0,0]=4 11223 B11R0.104 COCC(C)(C)CNCC(C)O 2230a_100000734190_100011218427 [0,2,0,0,0,0|2,0,0]=4 11224 B11R0.104 COCC(C)(C)CNC[C@@H](C)O 2230a_100000734190_100009817552 [0,2,0,0,0,0|2,0,0]=4 11225 B11R0.104 COCC(C)(C)NCCC(C)O 2230a_100000752728_100012276601 [0,2,0,0,0,0|2,0,0]=4 11226 B11R0.104 CSCC(C)(C)NCCC(C)O 2230a_100000759623_100012276601 [0,2,0,0,0,0|2,0,0]=4 11227 B11R0.104 CSCC(C)(C)NCCC(C)O 7a_100000759623_100012276601 [0,2,0,0,0,0|2,0,0]=4 11228 B11R0.141 CCCC(C)CCC(C)N(C)C 270004a_100102631434_200011216527 [0,2,0,0,0,0|2,0,0]=4 11229 B11R0.141 CCCC(C)CNC(C)C(C)C 2230a_100000211541_100011216630 [0,2,0,0,0,0|2,0,0]=4 11230 B11R0.141 CCCC(C)CNC(C)C(C)C 270004a_100000211541_100000243154 [0,2,0,0,0,0|2,0,0]=4 11231 B11R0.141 CCCC(C)COC(C)C(C)C 7a_100000748068_100011216630 [0,2,0,0,0,0|2,0,0]=4 11232 B11R0.141 CCCC(C)NCC(O)C(C)C 2230a_100000759067_100000766640 [0,2,0,0,0,0|2,0,0]=4 11233 B11R0.141 CCCC(C)NCC(O)C(C)C 270004a_100000759067_100000211909 [0,2,0,0,0,0|2,0,0]=4 11234 B11R0.141 CCCC(C)NCC(O)C(C)C 34a_100000759067_100000766640 [0,2,0,0,0,0|2,0,0]=4 11235 B11R0.141 CCCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000766640 [0,2,0,0,0,0|2,0,0]=4 11236 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,2,0,0,0,0|1,0,1]=4 11237 B11R0.145 CC(O)CCCN(C)C(C)CO 2230a_100000693034_200000718107 [0,2,0,0,0,0|2,0,0]=4 11238 B11R0.145 CC(O)CCCN(C)C(C)CO 269982a_100000693034_200000718107 [0,2,0,0,0,0|2,0,0]=4 11239 B11R0.145 CCC(=O)C(C)NCCC(C)O 2230a_200000755665_100000742827 [0,2,0,0,0,0|1,0,1]=4 11240 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100000742827_100012276601 [0,2,0,0,0,0|1,0,1]=4 11241 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100012276601_100000742827 [0,2,0,0,0,0|1,0,1]=4 11242 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,2,0,0,0,0|1,0,1]=4 11243 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,2,0,0,0,0|1,0,1]=4 11244 B11R0.145 CCC(C)C(=O)CCCC(C)O 1458a_100011192722_200000718107 [0,2,0,0,0,0|0,0,1]=3 11245 B11R0.145 CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011192722 [0,2,0,0,0,0|1,0,1]=4 11246 B11R0.145 CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011192722 [0,2,0,0,0,0|1,0,1]=4 11247 B11R0.145 CCC(C)C(C)NCCC(C)C 269862a_100000210545_100000210599 [0,2,0,0,0,0|2,0,0]=4 11248 B11R0.145 CCC(C)C(C)NCCC(C)C 270004a_100000210545_100000210599 [0,2,0,0,0,0|2,0,0]=4 11249 B11R0.145 CCC(C)C(C)NCCC(C)O 269862a_200000755665_100000210599 [0,2,0,0,0,0|1,0,0]=3 11250 B11R0.145 CCC(C)C(C)NCCC(C)O 270004a_200000755665_100000210599 [0,2,0,0,0,0|1,0,0]=3 11251 B11R0.145 CCC(C)C(C)OCCC(C)C 7a_100011215189_100000210626 [0,2,0,0,0,0|2,0,0]=4 11252 B11R0.145 CCC(C)C(C)OCCC(C)O 7a_100011215189_100012276601 [0,2,0,0,0,0|1,0,0]=3 11253 B11R0.145 CCC(C)N(C)CCCC(C)C 2230a_100000741768_100011214892 [0,2,0,0,0,0|2,0,0]=4 11254 B11R0.145 CCC(C)N(C)CCCC(C)C 269982a_100000741768_100011214892 [0,2,0,0,0,0|2,0,0]=4 11255 B11R0.145 CCC(C)N(C)CCCC(C)O 2230a_100000741768_200000718107 [0,2,0,0,0,0|1,0,0]=3 11256 B11R0.145 CCC(C)N(C)CCCC(C)O 269982a_100000741768_200000718107 [0,2,0,0,0,0|1,0,0]=3 11257 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,2,0,0,0,0|1,0,1]=4 11258 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,2,0,0,0,0|0,0,1]=3 11259 B11R0.145 CCC(O)C(=O)NCCC(C)O 240690a_200000755665_100011196387 [0,2,0,0,0,0|1,0,1]=4 11260 B11R0.145 CCN(C)C(=O)CCCC(C)O 1626a_100000225621_100000761597 [0,2,0,0,0,0|1,0,1]=4 11261 B11R0.145 CCN(C)C(=O)CCCC(C)O 527a_100000225621_100000761597 [0,2,0,0,0,0|1,0,1]=4 11262 B11R0.145 CCN(C)C(C)COCC(C)O 7a_100000732741_100011218427 [0,2,0,0,0,0|2,0,0]=4 11263 B11R0.145 CCN(C)C(C)COC[C@@H](C)O 7a_100000732741_100009817552 [0,2,0,0,0,0|2,0,0]=4 11264 B11R0.145 COC(C)C(=O)CCCC(C)O 1458a_100000743197_200000718107 [0,2,0,0,0,0|1,0,1]=4 11265 B11R0.145 CSC(C)C(=O)CCCC(C)O 1458a_100000149566_200000718107 [0,2,0,0,0,0|1,0,1]=4 11266 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,2,0,0,0,0|0,0,2]=4 11267 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [0,2,0,0,0,0|1,0,1]=4 11268 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [0,2,0,0,0,0|1,0,1]=4 11269 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [0,2,0,0,0,0|1,0,1]=4 11270 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [0,2,0,0,0,0|1,0,1]=4 11271 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [0,2,0,0,0,0|1,0,1]=4 11272 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [0,2,0,0,0,0|1,0,1]=4 11273 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [0,2,0,0,0,0|1,0,1]=4 11274 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [0,2,0,0,0,0|1,0,1]=4 11275 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [0,2,0,0,0,0|1,0,1]=4 11276 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,2,0,0,0,0|0,0,2]=4 11277 B11R0.147 C=CCCC(C)NCCC(C)O 270004a_200000755665_100000762624 [0,2,0,0,0,0|0,0,2]=4 11278 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [0,2,0,0,0,0|0,0,2]=4 11279 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [0,2,0,0,0,0|0,0,2]=4 11280 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [0,2,0,0,0,0|0,0,2]=4 11281 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [0,2,0,0,0,0|0,0,2]=4 11282 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,2,0,0,0,0|1,0,1]=4 11283 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,2,0,0,0,0|1,0,1]=4 11284 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,2,0,0,0,0|1,0,0]=3 11285 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,2,0,0,0,0|1,0,0]=3 11286 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,2,0,0,0,0|1,0,0]=3 11287 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,2,0,0,0,0|1,0,0]=3 11288 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,2,0,0,0,0|1,0,0]=3 11289 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [0,2,0,0,0,0|2,0,0]=4 11290 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [0,2,0,0,0,0|2,0,0]=4 11291 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [0,2,0,0,0,0|2,0,0]=4 11292 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,2,0,0,0,0|2,0,0]=4 11293 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,2,0,0,0,0|2,0,0]=4 11294 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,2,0,0,0,0|2,0,0]=4 11295 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,2,0,0,0,0|2,0,0]=4 11296 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,2,0,0,0,0|2,0,0]=4 11297 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,2,0,0,0,0|2,0,0]=4 11298 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [0,2,0,0,0,0|2,0,0]=4 11299 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [0,2,0,0,0,0|2,0,0]=4 11300 B11R0.147 CC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000210760 [0,2,0,0,0,0|2,0,0]=4 11301 B11R0.147 CC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000210432 [0,2,0,0,0,0|2,0,0]=4 11302 B11R0.147 CC(C)CNC[C@H](C)CCCO 34a_100160569302_100000210624 [0,2,0,0,0,0|2,0,0]=4 11303 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,2,0,0,0,0|0,0,2]=4 11304 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,2,0,0,0,0|1,0,1]=4 11305 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,2,0,0,0,0|1,0,1]=4 11306 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,2,0,0,0,0|1,0,1]=4 11307 B11R0.147 CC(O)CCCN(C)CCC#N 2230a_100000184479_200000718107 [0,2,0,0,0,0|1,0,1]=4 11308 B11R0.147 CC(O)CCCN(C)CCCO 2230a_100000213112_200000718107 [0,2,0,0,0,0|1,0,0]=3 11309 B11R0.147 CC(O)CCCN(C)CCCO 269982a_100000213112_200000718107 [0,2,0,0,0,0|1,0,0]=3 11310 B11R0.147 CC(O)CCOC(C)CCCCl 34a_200000718107_100012276601 [0,2,0,0,0,0|1,0,0]=3 11311 B11R0.147 CC(O)CCOC(C)CCCCl 7a_200000718107_100012276601 [0,2,0,0,0,0|1,0,0]=3 11312 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [0,2,0,0,0,0|1,0,0]=3 11313 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [0,2,0,0,0,0|1,0,0]=3 11314 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,2,0,0,0,0|0,0,2]=4 11315 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,2,0,0,0,0|0,0,2]=4 11316 B11R0.147 CCC#CC(C)OCCC(C)O 34a_100000033903_100012276601 [0,2,0,0,0,0|0,0,2]=4 11317 B11R0.147 CCC#CC(C)OCCC(C)O 7a_100000033903_100012276601 [0,2,0,0,0,0|0,0,2]=4 11318 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,2,0,0,0,0|0,0,2]=4 11319 B11R0.147 CCCCC(=NNCC(C)O)C 4a_200000730056_100000210087 [0,2,0,0,0,0|1,0,1]=4 11320 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|0,0,2]=4 11321 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,2,0,0,0,0|1,0,0]=3 11322 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,2,0,0,0,0|1,0,0]=3 11323 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|0,0,0]=2 11324 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,2,0,0,0,0|2,0,0]=4 11325 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,2,0,0,0,0|1,0,1]=4 11326 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,2,0,0,0,0|1,0,1]=4 11327 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,2,0,0,0,0|1,0,1]=4 11328 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 11329 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 11330 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 11331 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 11332 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,2,0,0,0,0|0,0,1]=3 11333 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,2,0,0,0,0|0,0,1]=3 11334 B11R0.147 CCCCC(=O)NNCC(C)O 22a_200000730056_100000210183 [0,2,0,0,0,0|1,0,1]=4 11335 B11R0.147 CCCCC(C)COCC(C)C 34a_100011995851_100000210624 [0,2,0,0,0,0|1,0,0]=3 11336 B11R0.147 CCCCC(C)COCC(C)C 7a_100011995851_100000210760 [0,2,0,0,0,0|1,0,0]=3 11337 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,2,0,0,0,0|0,0,0]=2 11338 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,2,0,0,0,0|0,0,0]=2 11339 B11R0.147 CCCCC(C)COCC(F)F 34a_100011995851_100011934356 [0,2,0,0,0,0|2,0,0]=4 11340 B11R0.147 CCCCC(C)COCC(F)F 7a_100011995851_100011934356 [0,2,0,0,0,0|2,0,0]=4 11341 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,2,0,0,0,0|0,0,0]=2 11342 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,2,0,0,0,0|0,0,0]=2 11343 B11R0.147 CCCCC(C)NCCC(C)C 2230a_100000126638_100000210312 [0,2,0,0,0,0|1,0,0]=3 11344 B11R0.147 CCCCC(C)NCCC(C)C 269862a_100000126638_100000185833 [0,2,0,0,0,0|1,0,0]=3 11345 B11R0.147 CCCCC(C)NCCC(C)C 270004a_100000210545_100000210087 [0,2,0,0,0,0|1,0,0]=3 11346 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,2,0,0,0,0|0,0,0]=2 11347 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,2,0,0,0,0|0,0,0]=2 11348 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,2,0,0,0,0|0,0,0]=2 11349 B11R0.147 CCCCC(C)NCCN(C)C 270004a_100000210585_100000210087 [0,2,0,0,0,0|2,0,0]=4 11350 B11R0.147 CCCCC(C)NCOC(C)C 2230a_100000126638_100000709892 [0,2,0,0,0,0|2,0,0]=4 11351 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,2,0,0,0,0|0,0,2]=4 11352 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,2,0,0,0,0|0,0,2]=4 11353 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,2,0,0,0,0|0,0,2]=4 11354 B11R0.147 CCCCC(C)OCCC(C)Br 34a_100009893172_200011215066 [0,2,0,0,0,0|1,0,0]=3 11355 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [0,2,0,0,0,0|1,0,0]=3 11356 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [0,2,0,0,0,0|1,0,0]=3 11357 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [0,2,0,0,0,0|1,0,0]=3 11358 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [0,2,0,0,0,0|1,0,0]=3 11359 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,2,0,0,0,0|0,0,0]=2 11360 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,2,0,0,0,0|0,0,0]=2 11361 B11R0.147 CCCCC(C)OCCC(F)F 34a_100103093639_200011215066 [0,2,0,0,0,0|2,0,0]=4 11362 B11R0.147 CCCCC(C)OCCN(C)C 7a_100000687866_100000755713 [0,2,0,0,0,0|2,0,0]=4 11363 B11R0.147 CCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011215066 [0,2,0,0,0,0|1,0,0]=3 11364 B11R0.147 CCCCC(C)OCOC(C)C 34a_100000687866_100000709892 [0,2,0,0,0,0|2,0,0]=4 11365 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,2,0,0,0,0|0,0,2]=4 11366 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,2,0,0,0,0|0,0,2]=4 11367 B11R0.147 CCCCC(C)SCCC(C)C 62a_100000210312_200011215066 [0,2,0,0,0,0|1,0,0]=3 11368 B11R0.147 CCCCC(C)SCCC(C)C 62a_200011215066_100000210312 [0,2,0,0,0,0|1,0,0]=3 11369 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,2,0,0,0,0|0,0,0]=2 11370 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,2,0,0,0,0|0,0,0]=2 11371 B11R0.147 CCCCC(C)SCCN(C)C 62a_200011215066_100000755713 [0,2,0,0,0,0|2,0,0]=4 11372 B11R0.147 CCCCC(C)SCOC(C)C 62a_100000709892_200011215066 [0,2,0,0,0,0|2,0,0]=4 11373 B11R0.147 CCCCC(C)SCOC(C)C 62a_200011215066_100000709892 [0,2,0,0,0,0|2,0,0]=4 11374 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,2,0,0,0,0|0,0,2]=4 11375 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,2,0,0,0,0|1,0,1]=4 11376 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [0,2,0,0,0,0|1,0,0]=3 11377 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [0,2,0,0,0,0|1,0,0]=3 11378 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,2,0,0,0,0|0,0,0]=2 11379 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,2,0,0,0,0|0,0,0]=2 11380 B11R0.147 CCCCN(C)CCCN(C)C 269982a_100000207549_100000757444 [0,2,0,0,0,0|2,0,0]=4 11381 B11R0.147 CCCCN(C)CCCN(C)C 269982a_100000225831_100000210211 [0,2,0,0,0,0|2,0,0]=4 11382 B11R0.147 CCCCN(C)CCOC(C)C 2230a_100000207549_100000211751 [0,2,0,0,0,0|2,0,0]=4 11383 B11R0.147 CCCCN(C)CCOC(C)C 269982a_100000207549_100000211751 [0,2,0,0,0,0|2,0,0]=4 11384 B11R0.147 CCCCN(C)CCSC(C)C 2230a_100000207549_100000730970 [0,2,0,0,0,0|2,0,0]=4 11385 B11R0.147 CCCCN(C)CCSC(C)C 269982a_100000207549_100000730970 [0,2,0,0,0,0|2,0,0]=4 11386 B11R0.147 CCCC[C@H](N)COCC(C)C 34a_100011934283_100000210624 [0,2,0,0,0,0|1,0,0]=3 11387 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|0,0,0]=2 11388 B11R0.147 CCCC[C@H](N)COCC(F)F 34a_100011934283_100011934356 [0,2,0,0,0,0|2,0,0]=4 11389 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|0,0,0]=2 11390 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,2,0,0,0,0|1,0,1]=4 11391 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,2,0,0,0,0|1,0,1]=4 11392 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,2,0,0,0,0|1,0,1]=4 11393 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,2,0,0,0,0|1,0,1]=4 11394 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,2,0,0,0,0|0,0,1]=3 11395 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,2,0,0,0,0|0,0,1]=3 11396 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [0,2,0,0,0,0|1,0,1]=4 11397 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [0,2,0,0,0,0|1,0,1]=4 11398 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [0,2,0,0,0,0|1,0,1]=4 11399 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [0,2,0,0,0,0|1,0,1]=4 11400 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [0,2,0,0,0,0|1,0,1]=4 11401 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [0,2,0,0,0,0|1,0,1]=4 11402 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [0,2,0,0,0,0|1,0,1]=4 11403 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [0,2,0,0,0,0|1,0,1]=4 11404 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,2,0,0,0,0|1,0,1]=4 11405 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,2,0,0,0,0|1,0,1]=4 11406 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,2,0,0,0,0|1,0,1]=4 11407 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,2,0,0,0,0|1,0,1]=4 11408 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,2,0,0,0,0|1,0,0]=3 11409 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,2,0,0,0,0|1,0,0]=3 11410 B11R0.147 CCCNC(C)CCOC(C)C 270004a_100020643023_200011219172 [0,2,0,0,0,0|2,0,0]=4 11411 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,2,0,0,0,0|1,0,1]=4 11412 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,2,0,0,0,0|1,0,1]=4 11413 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,2,0,0,0,0|1,0,1]=4 11414 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,2,0,0,0,0|1,0,1]=4 11415 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,2,0,0,0,0|1,0,1]=4 11416 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,2,0,0,0,0|1,0,1]=4 11417 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,2,0,0,0,0|1,0,0]=3 11418 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,2,0,0,0,0|1,0,0]=3 11419 B11R0.147 CCCOC(C)CNCC(C)C 2230a_100015185124_100000210760 [0,2,0,0,0,0|2,0,0]=4 11420 B11R0.147 CCCOC(C)CNCC(C)C 270004a_100015185124_100000210432 [0,2,0,0,0,0|2,0,0]=4 11421 B11R0.147 CCCOC(C)CNCC(C)C 34a_100015185124_100000210624 [0,2,0,0,0,0|2,0,0]=4 11422 B11R0.147 CCCOC(C)CNCC(C)O 2230a_100015185124_100011218427 [0,2,0,0,0,0|1,0,0]=3 11423 B11R0.147 CCCOC(C)CNCC(C)O 34a_100015185124_100011218427 [0,2,0,0,0,0|1,0,0]=3 11424 B11R0.147 CCCOC(C)CNC[C@@H](C)O 2230a_100015185124_100009817552 [0,2,0,0,0,0|1,0,0]=3 11425 B11R0.147 CCCOC(C)CNC[C@@H](C)O 34a_100015185124_100009817552 [0,2,0,0,0,0|1,0,0]=3 11426 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,2,0,0,0,0|1,0,1]=4 11427 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,2,0,0,0,0|1,0,1]=4 11428 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|0,0,1]=3 11429 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,2,0,0,0,0|1,0,1]=4 11430 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,2,0,0,0,0|1,0,1]=4 11431 B11R0.147 CCOCC(C)OCCC(C)C 34a_100000718985_100000210312 [0,2,0,0,0,0|2,0,0]=4 11432 B11R0.147 CCOCC(C)OCCC(C)C 7a_100000718985_100000210626 [0,2,0,0,0,0|2,0,0]=4 11433 B11R0.147 CCOCC(C)OCCC(C)O 34a_100000718985_100012276601 [0,2,0,0,0,0|1,0,0]=3 11434 B11R0.147 CCOCC(C)OCCC(C)O 7a_100000718985_100012276601 [0,2,0,0,0,0|1,0,0]=3 11435 B11R0.147 CCOCC(O)CNCC(C)C 2230a_102515437182_100000210760 [0,2,0,0,0,0|2,0,0]=4 11436 B11R0.147 CCOCC(O)CNCC(C)C 270004a_102515437182_100000210432 [0,2,0,0,0,0|2,0,0]=4 11437 B11R0.147 CCOCC(O)CNCC(C)C 34a_102515437182_100000210624 [0,2,0,0,0,0|2,0,0]=4 11438 B11R0.147 CCOCC(O)CNCC(C)O 2230a_102515437182_100011218427 [0,2,0,0,0,0|1,0,0]=3 11439 B11R0.147 CCOCC(O)CNCC(C)O 34a_102515437182_100011218427 [0,2,0,0,0,0|1,0,0]=3 11440 B11R0.147 CCOCC(O)CNC[C@@H](C)O 2230a_102515437182_100009817552 [0,2,0,0,0,0|1,0,0]=3 11441 B11R0.147 CCOCC(O)CNC[C@@H](C)O 34a_102515437182_100009817552 [0,2,0,0,0,0|1,0,0]=3 11442 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,2,0,0,0,0|1,0,1]=4 11443 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,2,0,0,0,0|0,0,1]=3 11444 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,2,0,0,0,0|1,0,1]=4 11445 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,2,0,0,0,0|1,0,1]=4 11446 B11R0.147 CCSCC(C)NCCC(C)C 270004a_100000210545_200011216171 [0,2,0,0,0,0|2,0,0]=4 11447 B11R0.147 CCSCC(C)NCCC(C)O 270004a_200000755665_200011216171 [0,2,0,0,0,0|1,0,0]=3 11448 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,2,0,0,0,0|1,0,0]=3 11449 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,2,0,0,0,0|1,0,0]=3 11450 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,2,0,0,0,0|1,0,0]=3 11451 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,2,0,0,0,0|1,0,0]=3 11452 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,2,0,0,0,0|1,0,1]=4 11453 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,2,0,0,0,0|1,0,1]=4 11454 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,2,0,0,0,0|0,0,1]=3 11455 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,2,0,0,0,0|1,0,1]=4 11456 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,2,0,0,0,0|1,0,1]=4 11457 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,2,0,0,0,0|1,0,0]=3 11458 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,2,0,0,0,0|1,0,0]=3 11459 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,2,0,0,0,0|1,0,0]=3 11460 B11R0.147 COCCC(C)NCCC(C)C 270004a_100000210545_100000742357 [0,2,0,0,0,0|2,0,0]=4 11461 B11R0.147 COCCC(C)NCCC(C)O 270004a_200000755665_100000742357 [0,2,0,0,0,0|1,0,0]=3 11462 B11R0.147 COCCN(C)CCCC(C)C 2230a_100000743101_100011214892 [0,2,0,0,0,0|2,0,0]=4 11463 B11R0.147 COCCN(C)CCCC(C)C 269982a_100000743101_100011214892 [0,2,0,0,0,0|2,0,0]=4 11464 B11R0.147 COCCN(C)CCCC(C)O 2230a_100000743101_200000718107 [0,2,0,0,0,0|1,0,0]=3 11465 B11R0.147 COCCN(C)CCCC(C)O 269982a_100000743101_200000718107 [0,2,0,0,0,0|1,0,0]=3 11466 B11R0.147 COCNC(C)CCCC(C)C 2230a_100000210607_100000766300 [0,2,0,0,0,0|2,0,0]=4 11467 B11R0.147 COCO[C@H](C)COCC(C)O 34a_100016172286_100011218427 [0,2,0,0,0,0|2,0,0]=4 11468 B11R0.147 COCO[C@H](C)COCC(C)O 7a_100016172286_100011218427 [0,2,0,0,0,0|2,0,0]=4 11469 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 34a_100016172286_100009817552 [0,2,0,0,0,0|2,0,0]=4 11470 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 7a_100016172286_100009817552 [0,2,0,0,0,0|2,0,0]=4 11471 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,2,0,0,0,0|1,0,1]=4 11472 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,2,0,0,0,0|1,0,1]=4 11473 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,2,0,0,0,0|0,0,1]=3 11474 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,2,0,0,0,0|1,0,1]=4 11475 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,2,0,0,0,0|1,0,1]=4 11476 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,2,0,0,0,0|1,0,0]=3 11477 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,2,0,0,0,0|1,0,0]=3 11478 B11R0.147 CSCCC(C)NCCC(C)C 270004a_100000210545_100011217047 [0,2,0,0,0,0|2,0,0]=4 11479 B11R0.147 CSCCC(C)NCCC(C)O 270004a_200000755665_100011217047 [0,2,0,0,0,0|1,0,0]=3 11480 B11R0.147 CSCCN(C)CCCC(C)C 2230a_100000686725_100011214892 [0,2,0,0,0,0|2,0,0]=4 11481 B11R0.147 CSCCN(C)CCCC(C)C 269982a_100000686725_100011214892 [0,2,0,0,0,0|2,0,0]=4 11482 B11R0.147 CSCCN(C)CCCC(C)O 2230a_100000686725_200000718107 [0,2,0,0,0,0|1,0,0]=3 11483 B11R0.147 CSCCN(C)CCCC(C)O 269982a_100000686725_200000718107 [0,2,0,0,0,0|1,0,0]=3 11484 B11R0.147 CSCC[C@H](N)COCC(C)C 34a_100011827619_100000210624 [0,2,0,0,0,0|2,0,0]=4 11485 B11R0.147 CSCC[C@H](N)COCC(C)O 34a_100011827619_100011218427 [0,2,0,0,0,0|1,0,0]=3 11486 B11R0.147 CSCC[C@H](N)COC[C@@H](C)O 34a_100011827619_100009817552 [0,2,0,0,0,0|1,0,0]=3 11487 B11R0.147 CSCNC(C)CCCC(C)C 2230a_100000210607_100011218213 [0,2,0,0,0,0|2,0,0]=4 11488 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [0,2,0,0,0,0|2,0,0]=4 11489 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [0,2,0,0,0,0|1,0,0]=3 11490 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|1,0,0]=3 11491 B11R0.174 C#CC(C)OCCC(C)CCC 34a_100011217855_200000035995 [0,2,0,0,0,0|2,0,0]=4 11492 B11R0.174 C#CC(C)OCC[C@@H](N)CCC 34a_100015193777_200000035995 [0,2,0,0,0,0|2,0,0]=4 11493 B11R0.174 C=CC(C)COCC(C)CCC 34a_100011215527_100011216630 [0,2,0,0,0,0|2,0,0]=4 11494 B11R0.174 C=CC(C)COCC(C)CCC 7a_100011215527_100011216630 [0,2,0,0,0,0|2,0,0]=4 11495 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [0,2,0,0,0,0|1,0,1]=4 11496 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [0,2,0,0,0,0|1,0,1]=4 11497 B11R0.174 C=CC(O)COC[C@@H](N)CCC 34a_100000732646_100000730141 [0,2,0,0,0,0|1,0,1]=4 11498 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100000730141_100011216630 [0,2,0,0,0,0|1,0,1]=4 11499 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100011216630_100000730141 [0,2,0,0,0,0|1,0,1]=4 11500 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 11501 B11R0.174 CC(CCN)COC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 11502 B11R0.174 CC(CCN)COC[C@@H](O)CF 34a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 11503 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 11504 B11R0.174 CC(CO)CCNC(C)CCO 2230a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 11505 B11R0.174 CC(CO)CCNC(C)CCO 34a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 11506 B11R0.174 CCC(O)CNCC(O)COC 2230a_100000756049_100011218378 [0,2,0,0,0,0|2,0,0]=4 11507 B11R0.174 CCC(O)CNCC(O)COC 34a_100000756049_100011218378 [0,2,0,0,0,0|2,0,0]=4 11508 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [0,2,0,0,0,0|2,0,0]=4 11509 B11R0.174 CCC(O)COCC(N)COC 34a_100000724102_100011218378 [0,2,0,0,0,0|2,0,0]=4 11510 B11R0.174 CCC(O)CSCC(O)COC 62a_100011215053_100011218378 [0,2,0,0,0,0|2,0,0]=4 11511 B11R0.174 CCC(O)CSCC(O)COC 62a_100011218378_100011215053 [0,2,0,0,0,0|2,0,0]=4 11512 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,2,0,0,0,0|1,0,1]=4 11513 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,2,0,0,0,0|1,0,1]=4 11514 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,2,0,0,0,0|1,0,1]=4 11515 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,2,0,0,0,0|1,0,1]=4 11516 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,2,0,0,0,0|1,0,1]=4 11517 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,2,0,0,0,0|1,0,1]=4 11518 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,2,0,0,0,0|1,0,1]=4 11519 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|1,0,1]=4 11520 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|1,0,1]=4 11521 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,2,0,0,0,0|1,0,1]=4 11522 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,2,0,0,0,0|1,0,1]=4 11523 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,2,0,0,0,0|1,0,1]=4 11524 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,2,0,0,0,0|1,0,1]=4 11525 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 11526 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 11527 B11R0.174 CCCC(C)CCOC(C)C#N 7a_100011217855_100000703298 [0,2,0,0,0,0|2,0,0]=4 11528 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,2,0,0,0,0|2,0,0]=4 11529 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,2,0,0,0,0|2,0,0]=4 11530 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,2,0,0,0,0|1,0,0]=3 11531 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,2,0,0,0,0|1,0,0]=3 11532 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,2,0,0,0,0|2,0,0]=4 11533 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,2,0,0,0,0|2,0,0]=4 11534 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,2,0,0,0,0|1,0,0]=3 11535 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,2,0,0,0,0|1,0,0]=3 11536 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,2,0,0,0,0|1,0,0]=3 11537 B11R0.174 CCCC(C)CNC[C@@H](C)OC 2230a_100020591295_100011216630 [0,2,0,0,0,0|1,0,0]=3 11538 B11R0.174 CCCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243154 [0,2,0,0,0,0|1,0,0]=3 11539 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,2,0,0,0,0|2,0,0]=4 11540 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,2,0,0,0,0|2,0,0]=4 11541 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,2,0,0,0,0|1,0,0]=3 11542 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,2,0,0,0,0|2,0,0]=4 11543 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,2,0,0,0,0|2,0,0]=4 11544 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [0,2,0,0,0,0|2,0,0]=4 11545 B11R0.174 CCCC(C)COCC(C)OC 34a_100000690652_100011216630 [0,2,0,0,0,0|1,0,0]=3 11546 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [0,2,0,0,0,0|2,0,0]=4 11547 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,2,0,0,0,0|1,0,0]=3 11548 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,2,0,0,0,0|1,0,0]=3 11549 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,2,0,0,0,0|1,0,0]=3 11550 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,2,0,0,0,0|1,0,0]=3 11551 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,2,0,0,0,0|2,0,0]=4 11552 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,2,0,0,0,0|2,0,0]=4 11553 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,2,0,0,0,0|2,0,0]=4 11554 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 11555 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 11556 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,2,0,0,0,0|1,0,0]=3 11557 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,2,0,0,0,0|1,0,0]=3 11558 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,2,0,0,0,0|1,0,0]=3 11559 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,2,0,0,0,0|1,0,0]=3 11560 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [0,2,0,0,0,0|2,0,0]=4 11561 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,2,0,0,0,0|2,0,0]=4 11562 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,2,0,0,0,0|2,0,0]=4 11563 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,2,0,0,0,0|1,0,0]=3 11564 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,2,0,0,0,0|1,0,0]=3 11565 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,2,0,0,0,0|1,0,0]=3 11566 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,2,0,0,0,0|1,0,0]=3 11567 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,2,0,0,0,0|2,0,0]=4 11568 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,2,0,0,0,0|2,0,0]=4 11569 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,2,0,0,0,0|1,0,0]=3 11570 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,2,0,0,0,0|1,0,0]=3 11571 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,2,0,0,0,0|1,0,0]=3 11572 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,2,0,0,0,0|1,0,0]=3 11573 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,2,0,0,0,0|1,0,0]=3 11574 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,2,0,0,0,0|1,0,0]=3 11575 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,2,0,0,0,0|2,0,0]=4 11576 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,2,0,0,0,0|2,0,0]=4 11577 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 11578 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,2,0,0,0,0|1,0,0]=3 11579 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 11580 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,2,0,0,0,0|2,0,0]=4 11581 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,2,0,0,0,0|1,0,0]=3 11582 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,2,0,0,0,0|2,0,0]=4 11583 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,2,0,0,0,0|1,0,0]=3 11584 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,2,0,0,0,0|2,0,0]=4 11585 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,2,0,0,0,0|1,0,0]=3 11586 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,2,0,0,0,0|1,0,0]=3 11587 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,2,0,0,0,0|2,0,0]=4 11588 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,2,0,0,0,0|1,0,0]=3 11589 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [0,2,0,0,0,0|1,0,0]=3 11590 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,2,0,0,0,0|1,0,0]=3 11591 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,2,0,0,0,0|2,0,0]=4 11592 B11R0.174 COCC(C)NCCC(C)CO 2230a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 11593 B11R0.174 COCC(C)NCCC(C)CO 270004a_106354213184_100000749346 [0,2,0,0,0,0|2,0,0]=4 11594 B11R0.174 COCC(C)NCCC(C)CO 34a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 11595 B11R0.174 COCC(C)OCCC(C)OC 7a_100000764861_100000765312 [0,2,0,0,0,0|2,0,0]=4 11596 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.174 COCC(N)COC[C@@H](C)CO 34a_100000724102_100000059175 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.174 COCC(N)COC[C@@H](O)CF 34a_100000724102_100015614560 [0,2,0,0,0,0|2,0,0]=4 11599 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [0,2,0,0,0,0|2,0,0]=4 11600 B11R0.174 COCC(O)CNCC(C)CO 34a_100000744482_100011215053 [0,2,0,0,0,0|2,0,0]=4 11601 B11R0.174 COCC(O)CNCC(O)CO 2230a_100000756049_100011219619 [0,2,0,0,0,0|2,0,0]=4 11602 B11R0.174 COCC(O)CNCC(O)CO 34a_100000756049_100011219619 [0,2,0,0,0,0|2,0,0]=4 11603 B11R0.174 COCC(O)CNC[C@@H](C)CO 2230a_100000756049_100000059175 [0,2,0,0,0,0|2,0,0]=4 11604 B11R0.174 COCC(O)CNC[C@@H](C)CO 34a_100000756049_100000059175 [0,2,0,0,0,0|2,0,0]=4 11605 B11R0.174 COCC(O)CNC[C@@H](O)CF 2230a_100000756049_100015614560 [0,2,0,0,0,0|2,0,0]=4 11606 B11R0.174 COCC(O)CNC[C@@H](O)CF 34a_100000756049_100015614560 [0,2,0,0,0,0|2,0,0]=4 11607 B11R0.174 COCC(O)CNC[C@@H](O)CO 2230a_100000756049_100009815848 [0,2,0,0,0,0|2,0,0]=4 11608 B11R0.174 COCC(O)CNC[C@@H](O)CO 34a_100000756049_100009815848 [0,2,0,0,0,0|2,0,0]=4 11609 B11R0.174 COCC(O)COCC(C)OC 34a_100000690652_100011215053 [0,2,0,0,0,0|2,0,0]=4 11610 B11R0.174 COCC(O)CSCC(O)CO 62a_100011215053_100011219619 [0,2,0,0,0,0|2,0,0]=4 11611 B11R0.174 COCC(O)CSCC(O)CO 62a_100011219619_100011215053 [0,2,0,0,0,0|2,0,0]=4 11612 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100000059175_100011215053 [0,2,0,0,0,0|2,0,0]=4 11613 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100011215053_100000059175 [0,2,0,0,0,0|2,0,0]=4 11614 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100011215053_100015614560 [0,2,0,0,0,0|2,0,0]=4 11615 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100015614560_100011215053 [0,2,0,0,0,0|2,0,0]=4 11616 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100009815848_100011215053 [0,2,0,0,0,0|2,0,0]=4 11617 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100011215053_100009815848 [0,2,0,0,0,0|2,0,0]=4 11618 B11R0.174 CSCC(C)NCCC(C)CO 270004a_106354213184_100011216314 [0,2,0,0,0,0|2,0,0]=4 11619 B11R0.180 CC(CCBr)OCCC(C)(C)O 34a_100012276601_100000702414 [0,2,0,0,0,0|2,0,0]=4 11620 B11R0.180 CC(CCN)COCC(C)(C)O 34a_106354213184_100000764493 [0,2,0,0,0,0|2,0,0]=4 11621 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100000702414_100009893172 [0,2,0,0,0,0|2,0,0]=4 11622 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100009893172_100000702414 [0,2,0,0,0,0|2,0,0]=4 11623 B11R0.180 CCCC(=O)CNCC(C)(C)O 2230a_100000751335_100000747444 [0,2,0,0,0,0|1,0,1]=4 11624 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000747444_100000764493 [0,2,0,0,0,0|1,0,1]=4 11625 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000764493_100000747444 [0,2,0,0,0,0|1,0,1]=4 11626 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [0,2,0,0,0,0|1,0,1]=4 11627 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [0,2,0,0,0,0|1,0,1]=4 11628 B11R0.180 CCCC(C)CCOC(C)(C)C 34a_100011217855_100000210625 [0,2,0,0,0,0|2,0,0]=4 11629 B11R0.180 CCCC(C)CNCC(C)(C)C 2230a_100000743828_100011216630 [0,2,0,0,0,0|2,0,0]=4 11630 B11R0.180 CCCC(C)CNCC(C)(C)C 270004a_100000743828_100000243154 [0,2,0,0,0,0|2,0,0]=4 11631 B11R0.180 CCCC(C)CNCC(C)(C)F 2230a_100020643315_100011216630 [0,2,0,0,0,0|2,0,0]=4 11632 B11R0.180 CCCC(C)CNCC(C)(C)F 270004a_100020643315_100000243154 [0,2,0,0,0,0|2,0,0]=4 11633 B11R0.180 CCCC(C)CNCC(C)(C)O 2230a_100000751335_100011216630 [0,2,0,0,0,0|1,0,0]=3 11634 B11R0.180 CCCC(C)CNCC(C)(C)O 270004a_100000751335_100000243154 [0,2,0,0,0,0|1,0,0]=3 11635 B11R0.180 CCCC(C)CNCC(C)(F)F 270004a_100000731000_100000243154 [0,2,0,0,0,0|2,0,0]=4 11636 B11R0.180 CCCC(C)COCC(C)(C)C 34a_100000688023_100011219605 [0,2,0,0,0,0|2,0,0]=4 11637 B11R0.180 CCCC(C)COCC(C)(C)F 34a_100000688023_100011997219 [0,2,0,0,0,0|2,0,0]=4 11638 B11R0.180 CCCC(C)COCC(C)(C)F 34a_100000716592_100011216630 [0,2,0,0,0,0|2,0,0]=4 11639 B11R0.180 CCCC(C)COCC(C)(C)O 34a_100000688023_100000764493 [0,2,0,0,0,0|1,0,0]=3 11640 B11R0.180 CCCC(C)COCC(C)(C)O 7a_100000688023_100000764493 [0,2,0,0,0,0|1,0,0]=3 11641 B11R0.180 CCCC(C)COCC(C)(F)F 34a_100000068830_100011216630 [0,2,0,0,0,0|2,0,0]=4 11642 B11R0.180 CCCC(C)CSCC(C)(C)C 62a_100011216630_100011219605 [0,2,0,0,0,0|2,0,0]=4 11643 B11R0.180 CCCC(C)CSCC(C)(C)C 62a_100011219605_100011216630 [0,2,0,0,0,0|2,0,0]=4 11644 B11R0.180 CCCC(C)CSCC(C)(C)F 62a_100011216630_100011997219 [0,2,0,0,0,0|2,0,0]=4 11645 B11R0.180 CCCC(C)CSCC(C)(C)F 62a_100011997219_100011216630 [0,2,0,0,0,0|2,0,0]=4 11646 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100000764493_100011216630 [0,2,0,0,0,0|1,0,0]=3 11647 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100011216630_100000764493 [0,2,0,0,0,0|1,0,0]=3 11648 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000738805_100000766640 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000741246_100000755188 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.180 CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000211909 [0,2,0,0,0,0|2,0,0]=4 11651 B11R0.180 CCCC(C)NCCC(C)(C)F 2230a_100016253952_100000766640 [0,2,0,0,0,0|2,0,0]=4 11652 B11R0.180 CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000211909 [0,2,0,0,0,0|2,0,0]=4 11653 B11R0.180 CCCC(C)NCCC(C)(C)O 2230a_100000741246_100000702414 [0,2,0,0,0,0|1,0,0]=3 11654 B11R0.180 CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000211909 [0,2,0,0,0,0|1,0,0]=3 11655 B11R0.180 CCCC(C)OCCC(C)(C)C 34a_100000764384_100000755188 [0,2,0,0,0,0|2,0,0]=4 11656 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000764384_100000755188 [0,2,0,0,0,0|2,0,0]=4 11657 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000765024_100000766640 [0,2,0,0,0,0|2,0,0]=4 11658 B11R0.180 CCCC(C)OCCC(C)(C)O 34a_100000764384_100000702414 [0,2,0,0,0,0|1,0,0]=3 11659 B11R0.180 CCCC(C)OCCC(C)(C)O 7a_100000764384_100000702414 [0,2,0,0,0,0|1,0,0]=3 11660 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000755188_100000766640 [0,2,0,0,0,0|2,0,0]=4 11661 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000766640_100000755188 [0,2,0,0,0,0|2,0,0]=4 11662 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000702414_100000766640 [0,2,0,0,0,0|1,0,0]=3 11663 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000766640_100000702414 [0,2,0,0,0,0|1,0,0]=3 11664 B11R0.180 CCCN(C)CCCC(C)(C)O 2230a_100000747261_100009888830 [0,2,0,0,0,0|1,0,0]=3 11665 B11R0.180 CCCN(C)CCCC(C)(C)O 269982a_100000747261_100009888830 [0,2,0,0,0,0|1,0,0]=3 11666 B11R0.180 CCC[C@H](N)CCOC(C)(C)C 34a_100015193777_100000210625 [0,2,0,0,0,0|2,0,0]=4 11667 B11R0.180 CCC[C@H](N)COCC(C)(C)C 34a_100000732646_100011219605 [0,2,0,0,0,0|2,0,0]=4 11668 B11R0.180 CCC[C@H](N)COCC(C)(C)F 34a_100000732646_100011997219 [0,2,0,0,0,0|2,0,0]=4 11669 B11R0.180 CCC[C@H](N)COCC(C)(C)O 34a_100000732646_100000764493 [0,2,0,0,0,0|1,0,0]=3 11670 B11R0.180 CN(CCO)CCCC(C)(C)O 2230a_100000210263_100009888830 [0,2,0,0,0,0|2,0,0]=4 11671 B11R0.180 CN(CCO)CCCC(C)(C)O 269982a_100000210263_100009888830 [0,2,0,0,0,0|2,0,0]=4 11672 B11R0.180 COCC(C)NCCC(C)(C)O 270004a_100000707701_100000749346 [0,2,0,0,0,0|2,0,0]=4 11673 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000702414_100000765312 [0,2,0,0,0,0|2,0,0]=4 11674 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000765312_100000702414 [0,2,0,0,0,0|2,0,0]=4 11675 B11R0.180 COCC(N)COCC(C)(C)O 34a_100000724102_100000764493 [0,2,0,0,0,0|2,0,0]=4 11676 B11R0.180 COCC(O)CNCC(C)(C)O 34a_100000756049_100000764493 [0,2,0,0,0,0|2,0,0]=4 11677 B11R0.180 COCC(O)CSCC(C)(C)O 62a_100000764493_100011215053 [0,2,0,0,0,0|2,0,0]=4 11678 B11R0.180 COCC(O)CSCC(C)(C)O 62a_100011215053_100000764493 [0,2,0,0,0,0|2,0,0]=4 11679 B11R0.180 COC[C@@H](C)NCCC(C)(C)O 2230a_100000764878_100000702414 [0,2,0,0,0,0|2,0,0]=4 11680 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 34a_100011934205_100000702414 [0,2,0,0,0,0|2,0,0]=4 11681 B11R0.180 CSCC(C)NCCC(C)(C)O 270004a_100000707701_100011216314 [0,2,0,0,0,0|2,0,0]=4 11682 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 2230a_100000706166_100000702414 [0,2,0,0,0,0|2,0,0]=4 11683 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 34a_100000706166_100000702414 [0,2,0,0,0,0|2,0,0]=4 11684 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,2,0,0,0,0|0,0,2]=4 11685 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,2,0,0,0,0|0,0,2]=4 11686 B11R0.2 C#CCCCCN(C)CC(C)O 2230a_100000227577_100010269958 [0,2,0,0,0,0|0,0,2]=4 11687 B11R0.2 C#CCCCCN(C)CC(C)O 269982a_100000227577_100010269958 [0,2,0,0,0,0|0,0,2]=4 11688 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,2,0,0,0,0|1,0,1]=4 11689 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,2,0,0,0,0|1,0,1]=4 11690 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,2,0,0,0,0|1,0,1]=4 11691 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,2,0,0,0,0|1,0,1]=4 11692 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,2,0,0,0,0|1,0,1]=4 11693 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|0,0,2]=4 11694 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|0,0,2]=4 11695 B11R0.2 C=CCCCCN(C)CC(C)O 2230a_100000227577_100011215482 [0,2,0,0,0,0|0,0,2]=4 11696 B11R0.2 C=CCCCCN(C)CC(C)O 2230a_100012000471_100011218427 [0,2,0,0,0,0|0,0,2]=4 11697 B11R0.2 C=CCCCCN(C)CC(C)O 269982a_100000227577_100011215482 [0,2,0,0,0,0|0,0,2]=4 11698 B11R0.2 C=CCCCCN(C)CC(C)O 269982a_100012000471_100011218427 [0,2,0,0,0,0|0,0,2]=4 11699 B11R0.2 C=CCCCCN(C)C[C@@H](C)O 2230a_100012000471_100009817552 [0,2,0,0,0,0|0,0,2]=4 11700 B11R0.2 C=CCCCCN(C)C[C@@H](C)O 269982a_100012000471_100009817552 [0,2,0,0,0,0|0,0,2]=4 11701 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,2,0,0,0,0|1,0,1]=4 11702 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,2,0,0,0,0|1,0,1]=4 11703 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,2,0,0,0,0|1,0,1]=4 11704 B11R0.2 CC(C)CC(C)NCCCCF 2230a_100000692259_100000729493 [0,2,0,0,0,0|2,0,0]=4 11705 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000692259_100000210776 [0,2,0,0,0,0|2,0,0]=4 11706 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000750430_100000731052 [0,2,0,0,0,0|2,0,0]=4 11707 B11R0.2 CC(C)CC(C)NCCCCO 34a_100000750430_100000731052 [0,2,0,0,0,0|2,0,0]=4 11708 B11R0.2 CC(C)CC(C)OCCCCBr 34a_100011216708_100000731052 [0,2,0,0,0,0|2,0,0]=4 11709 B11R0.2 CC(C)CC(C)OCCCCCl 34a_100000210776_100000731052 [0,2,0,0,0,0|2,0,0]=4 11710 B11R0.2 CC(C)CC(C)OCCCCCl 7a_100000210776_100000731052 [0,2,0,0,0,0|2,0,0]=4 11711 B11R0.2 CC(C)CC(C)OCCCCF 34a_100000211805_100000729493 [0,2,0,0,0,0|2,0,0]=4 11712 B11R0.2 CC(C)CC(C)OCCCCF 34a_100011995726_100000731052 [0,2,0,0,0,0|2,0,0]=4 11713 B11R0.2 CC(C)CC(C)OCCCCF 7a_100000211805_100000729493 [0,2,0,0,0,0|2,0,0]=4 11714 B11R0.2 CC(C)CC(C)OCCCCF 7a_100011995726_100000731052 [0,2,0,0,0,0|2,0,0]=4 11715 B11R0.2 CC(C)CC(C)OCCCCI 34a_200012148704_100000731052 [0,2,0,0,0,0|2,0,0]=4 11716 B11R0.2 CC(C)CC(C)OCCCCN 34a_100000750430_100000731052 [0,2,0,0,0,0|2,0,0]=4 11717 B11R0.2 CC(C)CC(C)OCCCCO 34a_100000211805_100011216708 [0,2,0,0,0,0|2,0,0]=4 11718 B11R0.2 CC(C)CC(C)OCCCCO 7a_100000211805_100000210776 [0,2,0,0,0,0|2,0,0]=4 11719 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000729493_100000731052 [0,2,0,0,0,0|2,0,0]=4 11720 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000731052_100000729493 [0,2,0,0,0,0|2,0,0]=4 11721 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000210776_100000731052 [0,2,0,0,0,0|2,0,0]=4 11722 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000731052_100000210776 [0,2,0,0,0,0|2,0,0]=4 11723 B11R0.2 CC(C)CN(C)CCCCCF 2230a_100000747067_100000729378 [0,2,0,0,0,0|2,0,0]=4 11724 B11R0.2 CC(C)CN(C)CCCCCF 269982a_100000747067_100000729378 [0,2,0,0,0,0|2,0,0]=4 11725 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000722520_100000210760 [0,2,0,0,0,0|2,0,0]=4 11726 B11R0.2 CC(C)CN(C)CCCCCO 2230a_100000747067_100000746330 [0,2,0,0,0,0|2,0,0]=4 11727 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000722520_100000210624 [0,2,0,0,0,0|2,0,0]=4 11728 B11R0.2 CC(C)CN(C)CCCCCO 269982a_100000747067_100000746330 [0,2,0,0,0,0|2,0,0]=4 11729 B11R0.2 CC(C)CN(C)CCCCCO 270004a_100000722520_100000210432 [0,2,0,0,0,0|2,0,0]=4 11730 B11R0.2 CC(C)C[C@H](N)CCOCCF 34a_100161151251_100011217306 [0,2,0,0,0,0|2,0,0]=4 11731 B11R0.2 CC(C)C[C@H](N)CCOCCO 34a_100161151251_100000211926 [0,2,0,0,0,0|2,0,0]=4 11732 B11R0.2 CC(C)C[C@H](N)COCCCF 34a_100011830311_100011934791 [0,2,0,0,0,0|2,0,0]=4 11733 B11R0.2 CC(C)C[C@H](N)COCCCO 34a_100011830311_100000230001 [0,2,0,0,0,0|2,0,0]=4 11734 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|0,0,1]=3 11735 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,2,0,0,0,0|1,0,1]=4 11736 B11R0.2 CC(O)CN(C)CCCCC#N 2230a_100000227577_100000211819 [0,2,0,0,0,0|1,0,1]=4 11737 B11R0.2 CC(O)CN(C)CCCCC#N 269982a_100000227577_100011219923 [0,2,0,0,0,0|1,0,1]=4 11738 B11R0.2 CC(O)CN(C)CCCCC=O 2230a_100000227577_100000139335 [0,2,0,0,0,0|1,0,1]=4 11739 B11R0.2 CC(O)CN(C)CCCCC=O 269982a_100000227577_100000139335 [0,2,0,0,0,0|1,0,1]=4 11740 B11R0.2 CC(O)CN(C)CCCCCF 2230a_100000227577_100000729378 [0,2,0,0,0,0|1,0,0]=3 11741 B11R0.2 CC(O)CN(C)CCCCCF 269982a_100000227577_100000729378 [0,2,0,0,0,0|1,0,0]=3 11742 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000227577_100000746330 [0,2,0,0,0,0|1,0,0]=3 11743 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000722520_100011218427 [0,2,0,0,0,0|1,0,0]=3 11744 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000227577_100000746330 [0,2,0,0,0,0|1,0,0]=3 11745 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000722520_100011218427 [0,2,0,0,0,0|1,0,0]=3 11746 B11R0.2 CC(O)CN(C)CCOCCO 2230a_100000227577_100011215305 [0,2,0,0,0,0|2,0,0]=4 11747 B11R0.2 CC(O)CN(C)CCOCCO 2230a_100000228057_100011218427 [0,2,0,0,0,0|2,0,0]=4 11748 B11R0.2 CC(O)CN(C)CCOCCO 269982a_100000227577_100011215305 [0,2,0,0,0,0|2,0,0]=4 11749 B11R0.2 CC(O)CN(C)CCOCCO 269982a_100000228057_100011218427 [0,2,0,0,0,0|2,0,0]=4 11750 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,2,0,0,0,0|0,0,2]=4 11751 B11R0.2 CC/C=C\CCN(C)CC(C)O 2230a_100000227577_100015370543 [0,2,0,0,0,0|0,0,2]=4 11752 B11R0.2 CC/C=C\CCN(C)CC(C)O 269982a_100000227577_100015370543 [0,2,0,0,0,0|0,0,2]=4 11753 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,2,0,0,0,0|0,0,2]=4 11754 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,2,0,0,0,0|0,0,2]=4 11755 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|1,0,0]=3 11756 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|1,0,0]=3 11757 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|0,0,0]=2 11758 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,2,0,0,0,0|2,0,0]=4 11759 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,2,0,0,0,0|2,0,0]=4 11760 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|0,0,0]=2 11761 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,2,0,0,0,0|2,0,0]=4 11762 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,2,0,0,0,0|1,0,1]=4 11763 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,2,0,0,0,0|1,0,1]=4 11764 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,2,0,0,0,0|1,0,1]=4 11765 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,2,0,0,0,0|1,0,1]=4 11766 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,2,0,0,0,0|0,0,2]=4 11767 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,2,0,0,0,0|0,0,2]=4 11768 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,2,0,0,0,0|0,0,2]=4 11769 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,2,0,0,0,0|0,0,2]=4 11770 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,2,0,0,0,0|1,0,0]=3 11771 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,2,0,0,0,0|1,0,0]=3 11772 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,2,0,0,0,0|1,0,0]=3 11773 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,2,0,0,0,0|1,0,0]=3 11774 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,2,0,0,0,0|1,0,0]=3 11775 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,2,0,0,0,0|1,0,0]=3 11776 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,2,0,0,0,0|1,0,0]=3 11777 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,2,0,0,0,0|1,0,0]=3 11778 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,2,0,0,0,0|1,0,0]=3 11779 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|1,0,1]=4 11780 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,2,0,0,0,0|1,0,0]=3 11781 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,2,0,0,0,0|1,0,0]=3 11782 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,2,0,0,0,0|1,0,0]=3 11783 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,2,0,0,0,0|1,0,0]=3 11784 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,2,0,0,0,0|1,0,0]=3 11785 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|0,0,0]=2 11786 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|0,0,0]=2 11787 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|0,0,0]=2 11788 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|0,0,0]=2 11789 B11R0.2 CCCCCCN(C)CC(F)F 2230a_106256046315_100011934356 [0,2,0,0,0,0|2,0,0]=4 11790 B11R0.2 CCCCCCN(C)CC(F)F 269982a_106256046315_100011934356 [0,2,0,0,0,0|2,0,0]=4 11791 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|0,0,0]=2 11792 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|0,0,0]=2 11793 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11794 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11795 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11796 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11797 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,2,0,0,0,0|0,0,1]=3 11798 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000209983_100000731052 [0,2,0,0,0,0|1,0,0]=3 11799 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000692259_100000210326 [0,2,0,0,0,0|1,0,0]=3 11800 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000210253_100000731052 [0,2,0,0,0,0|1,0,0]=3 11801 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000211805_100000718602 [0,2,0,0,0,0|1,0,0]=3 11802 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000210253_100000731052 [0,2,0,0,0,0|1,0,0]=3 11803 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000211805_100000210326 [0,2,0,0,0,0|1,0,0]=3 11804 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000210326_100000731052 [0,2,0,0,0,0|1,0,0]=3 11805 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000731052_100000210326 [0,2,0,0,0,0|1,0,0]=3 11806 B11R0.2 CCCCCSC(C)CN(C)C 62a_100000210326_100020606517 [0,2,0,0,0,0|2,0,0]=4 11807 B11R0.2 CCCCCSC(C)CN(C)C 62a_100020606517_100000210326 [0,2,0,0,0,0|2,0,0]=4 11808 B11R0.2 CCCCNCC(C)CN(C)C 2230a_100000102301_100015348159 [0,2,0,0,0,0|2,0,0]=4 11809 B11R0.2 CCCCNCC(C)CN(C)C 7a_106832991798_100015348159 [0,2,0,0,0,0|2,0,0]=4 11810 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|1,0,1]=4 11811 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,2,0,0,0,0|1,0,1]=4 11812 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,2,0,0,0,0|1,0,1]=4 11813 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,2,0,0,0,0|1,0,1]=4 11814 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,2,0,0,0,0|0,0,1]=3 11815 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,2,0,0,0,0|0,0,1]=3 11816 B11R0.2 CCCCOCC(C)CN(C)C 7a_100000210227_100015348159 [0,2,0,0,0,0|2,0,0]=4 11817 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [0,2,0,0,0,0|2,0,0]=4 11818 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [0,2,0,0,0,0|2,0,0]=4 11819 B11R0.2 CCCCOCN(C)CC(C)C 2230a_100000747067_100011995733 [0,2,0,0,0,0|2,0,0]=4 11820 B11R0.2 CCCCOCN(C)CC(C)C 269982a_100000747067_100011995733 [0,2,0,0,0,0|2,0,0]=4 11821 B11R0.2 CCCCOCN(C)CC(C)O 2230a_100000227577_100011995733 [0,2,0,0,0,0|1,0,0]=3 11822 B11R0.2 CCCCOCN(C)CC(C)O 269982a_100000227577_100011995733 [0,2,0,0,0,0|1,0,0]=3 11823 B11R0.2 CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210210 [0,2,0,0,0,0|1,0,0]=3 11824 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,2,0,0,0,0|1,0,1]=4 11825 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,2,0,0,0,0|0,0,1]=3 11826 B11R0.2 CCCCSCC(C)CN(C)C 62a_100000210211_100015348159 [0,2,0,0,0,0|2,0,0]=4 11827 B11R0.2 CCCCSCC(C)CN(C)C 62a_100015348159_100000210210 [0,2,0,0,0,0|2,0,0]=4 11828 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,2,0,0,0,0|1,0,1]=4 11829 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,2,0,0,0,0|0,0,1]=3 11830 B11R0.2 CCCOCCN(C)CC(C)C 2230a_100000747067_100011215938 [0,2,0,0,0,0|2,0,0]=4 11831 B11R0.2 CCCOCCN(C)CC(C)C 269982a_100000747067_100011215938 [0,2,0,0,0,0|2,0,0]=4 11832 B11R0.2 CCCOCCN(C)CC(C)O 2230a_100000227577_100011215938 [0,2,0,0,0,0|1,0,0]=3 11833 B11R0.2 CCCOCCN(C)CC(C)O 269982a_100000227577_100011215938 [0,2,0,0,0,0|1,0,0]=3 11834 B11R0.2 CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210303 [0,2,0,0,0,0|1,0,0]=3 11835 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,2,0,0,0,0|1,0,1]=4 11836 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,2,0,0,0,0|0,0,1]=3 11837 B11R0.2 CCOCCCN(C)CC(C)C 2230a_100000747067_100012232248 [0,2,0,0,0,0|2,0,0]=4 11838 B11R0.2 CCOCCCN(C)CC(C)C 269982a_100000747067_100012232248 [0,2,0,0,0,0|2,0,0]=4 11839 B11R0.2 CCOCCCN(C)CC(C)O 2230a_100000227577_100012232248 [0,2,0,0,0,0|1,0,0]=3 11840 B11R0.2 CCOCCCN(C)CC(C)O 269982a_100000227577_100012232248 [0,2,0,0,0,0|1,0,0]=3 11841 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,2,0,0,0,0|1,0,1]=4 11842 B11R0.2 CCOCCNC(C)CC(C)C 2230a_100000692259_100011215890 [0,2,0,0,0,0|2,0,0]=4 11843 B11R0.2 CCOCCNC(C)CC(C)C 2230a_102516460346_100000731052 [0,2,0,0,0,0|2,0,0]=4 11844 B11R0.2 CCOCCNC(C)CC(C)C 34a_102516460346_100000731052 [0,2,0,0,0,0|2,0,0]=4 11845 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000210136_100000731052 [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000211805_100000210147 [0,2,0,0,0,0|2,0,0]=4 11847 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000210136_100000731052 [0,2,0,0,0,0|2,0,0]=4 11848 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000211805_100011215890 [0,2,0,0,0,0|2,0,0]=4 11849 B11R0.2 CCOCCSC(C)CC(C)C 62a_100000210147_100000731052 [0,2,0,0,0,0|2,0,0]=4 11850 B11R0.2 CCOCCSC(C)CC(C)C 62a_100000731052_100011215890 [0,2,0,0,0,0|2,0,0]=4 11851 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,2,0,0,0,0|1,0,1]=4 11852 B11R0.2 CCSCCNC(C)CC(C)C 2230a_100000106463_100000731052 [0,2,0,0,0,0|2,0,0]=4 11853 B11R0.2 CCSCCNC(C)CC(C)C 2230a_100000692259_100000757381 [0,2,0,0,0,0|2,0,0]=4 11854 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000211805_100000757381 [0,2,0,0,0,0|2,0,0]=4 11855 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000212035_100000731052 [0,2,0,0,0,0|2,0,0]=4 11856 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000211805_100000757381 [0,2,0,0,0,0|2,0,0]=4 11857 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000212035_100000731052 [0,2,0,0,0,0|2,0,0]=4 11858 B11R0.2 CCSCCSC(C)CC(C)C 62a_100000731052_100000757381 [0,2,0,0,0,0|2,0,0]=4 11859 B11R0.2 CCSCCSC(C)CC(C)C 62a_100000757381_100000731052 [0,2,0,0,0,0|2,0,0]=4 11860 B11R0.2 CNCCCOC(C)CC(C)C 34a_100000213112_100000731052 [0,2,0,0,0,0|2,0,0]=4 11861 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,2,0,0,0,0|1,0,1]=4 11862 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,2,0,0,0,0|0,0,1]=3 11863 B11R0.2 COCCCCN(C)CC(C)C 2230a_100000747067_100000730899 [0,2,0,0,0,0|2,0,0]=4 11864 B11R0.2 COCCCCN(C)CC(C)C 269982a_100000747067_100000730899 [0,2,0,0,0,0|2,0,0]=4 11865 B11R0.2 COCCCCN(C)CC(C)O 2230a_100000227577_100000730899 [0,2,0,0,0,0|1,0,0]=3 11866 B11R0.2 COCCCCN(C)CC(C)O 269982a_100000227577_100000730899 [0,2,0,0,0,0|1,0,0]=3 11867 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,2,0,0,0,0|1,0,1]=4 11868 B11R0.2 COCCCNC(C)CC(C)C 2230a_100000692259_100000740836 [0,2,0,0,0,0|2,0,0]=4 11869 B11R0.2 COCCCNC(C)CC(C)C 34a_100150723488_100000731052 [0,2,0,0,0,0|2,0,0]=4 11870 B11R0.2 COCCCOC(C)CC(C)C 34a_100000211805_100000740836 [0,2,0,0,0,0|2,0,0]=4 11871 B11R0.2 COCCCOC(C)CC(C)C 34a_100000740835_100000731052 [0,2,0,0,0,0|2,0,0]=4 11872 B11R0.2 COCCCOC(C)CC(C)C 7a_100000211805_100000740836 [0,2,0,0,0,0|2,0,0]=4 11873 B11R0.2 COCCCSC(C)CC(C)C 62a_100000709357_100000731052 [0,2,0,0,0,0|2,0,0]=4 11874 B11R0.2 COCCCSC(C)CC(C)C 62a_100000731052_100000709357 [0,2,0,0,0,0|2,0,0]=4 11875 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,2,0,0,0,0|1,0,1]=4 11876 B11R0.2 COCCOCN(C)CC(C)O 2230a_100000227577_100000231047 [0,2,0,0,0,0|2,0,0]=4 11877 B11R0.2 COCCOCN(C)CC(C)O 269982a_100000227577_100000231047 [0,2,0,0,0,0|2,0,0]=4 11878 B11R0.2 COCCOC[C@@H](N)CC(C)C 34a_100011830311_100011201679 [0,2,0,0,0,0|2,0,0]=4 11879 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,2,0,0,0,0|1,0,1]=4 11880 B11R0.2 CSCCCNC(C)CC(C)C 2230a_100000749238_100000731052 [0,2,0,0,0,0|2,0,0]=4 11881 B11R0.2 CSCCCOC(C)CC(C)C 34a_100000690336_100000731052 [0,2,0,0,0,0|2,0,0]=4 11882 B11R0.2 CSCCCOC(C)CC(C)C 7a_100000690336_100000731052 [0,2,0,0,0,0|2,0,0]=4 11883 B11R0.2 CSCCOC[C@@H](N)CC(C)C 34a_100011830311_100000212216 [0,2,0,0,0,0|2,0,0]=4 11884 B11R0.2 CSCOCC[C@@H](N)CC(C)C 34a_100161151251_100011218213 [0,2,0,0,0,0|2,0,0]=4 11885 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,2,0,0,0,0|0,0,2]=4 11886 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,2,0,0,0,0|0,0,1]=3 11887 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|0,0,1]=3 11888 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,2,0,0,0,0|1,0,1]=4 11889 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,2,0,0,0,0|1,0,1]=4 11890 B11R0.2 C[C@@H](O)CN(C)CCCCCO 2230a_100000722520_100009817552 [0,2,0,0,0,0|1,0,0]=3 11891 B11R0.2 C[C@@H](O)CN(C)CCCCCO 269982a_100000722520_100009817552 [0,2,0,0,0,0|1,0,0]=3 11892 B11R0.2 C[C@@H](O)CN(C)CCOCCO 2230a_100000228057_100009817552 [0,2,0,0,0,0|2,0,0]=4 11893 B11R0.2 C[C@@H](O)CN(C)CCOCCO 269982a_100000228057_100009817552 [0,2,0,0,0,0|2,0,0]=4 11894 B11R0.30 C=C(Br)CCOCCCC(C)O 34a_100009813270_200000718107 [0,2,0,0,0,0|0,0,2]=4 11895 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,2,0,0,0,0|1,0,1]=4 11896 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,2,0,0,0,0|1,0,1]=4 11897 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,2,0,0,0,0|1,0,1]=4 11898 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,2,0,0,0,0|1,0,1]=4 11899 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,2,0,0,0,0|1,0,1]=4 11900 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,2,0,0,0,0|0,0,1]=3 11901 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,2,0,0,0,0|1,0,1]=4 11902 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,2,0,0,0,0|1,0,1]=4 11903 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,2,0,0,0,0|0,0,1]=3 11904 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,2,0,0,0,0|0,0,1]=3 11905 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,2,0,0,0,0|1,0,1]=4 11906 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,2,0,0,0,0|1,0,1]=4 11907 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,2,0,0,0,0|1,0,1]=4 11908 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,2,0,0,0,0|1,0,1]=4 11909 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,2,0,0,0,0|1,0,1]=4 11910 B11R0.30 CC(=CCCNCCC(C)O)C 2230a_200000755665_100011217483 [0,2,0,0,0,0|0,0,2]=4 11911 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100011217483_100012276601 [0,2,0,0,0,0|0,0,2]=4 11912 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100012276601_100011217483 [0,2,0,0,0,0|0,0,2]=4 11913 B11R0.30 CC(=CCNCCCC(C)O)C 34a_100000718196_200000718107 [0,2,0,0,0,0|0,0,2]=4 11914 B11R0.30 CC(=CCOCCCC(C)O)C 34a_100000753907_200000718107 [0,2,0,0,0,0|0,0,2]=4 11915 B11R0.30 CC(=CCSCCCC(C)O)C 62a_100000761012_200000718107 [0,2,0,0,0,0|0,0,2]=4 11916 B11R0.30 CC(=CCSCCCC(C)O)C 62a_200000718107_100000761012 [0,2,0,0,0,0|0,0,2]=4 11917 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,2,0,0,0,0|2,0,0]=4 11918 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|1,0,0]=3 11919 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,2,0,0,0,0|0,0,2]=4 11920 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|0,0,1]=3 11921 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,2,0,0,0,0|0,0,2]=4 11922 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,2,0,0,0,0|0,0,2]=4 11923 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,2,0,0,0,0|0,0,2]=4 11924 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,2,0,0,0,0|0,0,2]=4 11925 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,2,0,0,0,0|0,0,2]=4 11926 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,2,0,0,0,0|0,0,2]=4 11927 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,2,0,0,0,0|0,0,2]=4 11928 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|0,0,1]=3 11929 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|0,0,1]=3 11930 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|0,0,1]=3 11931 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|0,0,1]=3 11932 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,2,0,0,0,0|0,0,2]=4 11933 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,2,0,0,0,0|0,0,2]=4 11934 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,2,0,0,0,0|0,0,2]=4 11935 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,2,0,0,0,0|0,0,2]=4 11936 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,2,0,0,0,0|0,0,2]=4 11937 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|0,0,1]=3 11938 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|0,0,1]=3 11939 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,2,0,0,0,0|0,0,2]=4 11940 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,2,0,0,0,0|0,0,2]=4 11941 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,2,0,0,0,0|0,0,2]=4 11942 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|0,0,1]=3 11943 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|0,0,1]=3 11944 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,2,0,0,0,0|0,0,2]=4 11945 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,2,0,0,0,0|0,0,2]=4 11946 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,2,0,0,0,0|0,0,2]=4 11947 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|0,0,1]=3 11948 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|0,0,1]=3 11949 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,2,0,0,0,0|0,0,2]=4 11950 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,2,0,0,0,0|0,0,2]=4 11951 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|0,0,1]=3 11952 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|0,0,1]=3 11953 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|0,0,2]=4 11954 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,2,0,0,0,0|0,0,2]=4 11955 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,2,0,0,0,0|0,0,2]=4 11956 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,2,0,0,0,0|0,0,2]=4 11957 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,2,0,0,0,0|1,0,1]=4 11958 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,2,0,0,0,0|1,0,1]=4 11959 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,2,0,0,0,0|1,0,1]=4 11960 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,2,0,0,0,0|1,0,1]=4 11961 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,2,0,0,0,0|1,0,1]=4 11962 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,2,0,0,0,0|1,0,1]=4 11963 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,2,0,0,0,0|1,0,1]=4 11964 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,2,0,0,0,0|1,0,1]=4 11965 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,2,0,0,0,0|1,0,1]=4 11966 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,2,0,0,0,0|1,0,1]=4 11967 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,2,0,0,0,0|1,0,1]=4 11968 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,2,0,0,0,0|1,0,1]=4 11969 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,2,0,0,0,0|1,0,1]=4 11970 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,2,0,0,0,0|1,0,1]=4 11971 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,2,0,0,0,0|1,0,1]=4 11972 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,2,0,0,0,0|1,0,1]=4 11973 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,2,0,0,0,0|1,0,1]=4 11974 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,2,0,0,0,0|1,0,1]=4 11975 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,2,0,0,0,0|1,0,1]=4 11976 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,2,0,0,0,0|1,0,1]=4 11977 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,2,0,0,0,0|1,0,1]=4 11978 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,2,0,0,0,0|1,0,1]=4 11979 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,2,0,0,0,0|1,0,1]=4 11980 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,2,0,0,0,0|1,0,1]=4 11981 B11R0.30 CC(=S)OCCCNCC(C)O 2230a_100000210904_200135323944 [0,2,0,0,0,0|1,0,1]=4 11982 B11R0.30 CC(=S)OCCCNCC(C)O 34a_100000210904_200135323944 [0,2,0,0,0,0|1,0,1]=4 11983 B11R0.30 CC(=S)OCCCSCC(C)O 62a_100011218427_200135323944 [0,2,0,0,0,0|1,0,1]=4 11984 B11R0.30 CC(=S)OCCCSCC(C)O 62a_200135323944_100011218427 [0,2,0,0,0,0|1,0,1]=4 11985 B11R0.30 CC(=S)OCCCSC[C@@H](C)O 62a_100009817552_200135323944 [0,2,0,0,0,0|1,0,1]=4 11986 B11R0.30 CC(=S)OCCCSC[C@@H](C)O 62a_200135323944_100009817552 [0,2,0,0,0,0|1,0,1]=4 11987 B11R0.30 CC(Br)CCOCCOC(C)C 34a_100009893172_100000211751 [0,2,0,0,0,0|2,0,0]=4 11988 B11R0.30 CC(Br)CCOCCSC(C)C 34a_100009893172_100000730970 [0,2,0,0,0,0|2,0,0]=4 11989 B11R0.30 CC(Br)COCCCCB(O)O 34a_100012180447_200009817182 [0,2,0,0,0,0|2,0,0]=4 11990 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|1,0,0]=3 11991 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100011290863_100000210206 [0,2,0,0,0,0|1,0,0]=3 11992 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100138425928_100000210682 [0,2,0,0,0,0|1,0,0]=3 11993 B11R0.30 CC(C)CCCCCNC(C)C 34a_100011290863_100000210206 [0,2,0,0,0,0|1,0,0]=3 11994 B11R0.30 CC(C)CCCCCNC(C)C 34a_100138425928_100000210682 [0,2,0,0,0,0|1,0,0]=3 11995 B11R0.30 CC(C)CCCCCOC(C)C 34a_100000212225_100000210682 [0,2,0,0,0,0|1,0,0]=3 11996 B11R0.30 CC(C)CCCCCOC(C)C 34a_100011995859_100000210206 [0,2,0,0,0,0|1,0,0]=3 11997 B11R0.30 CC(C)CCCCCOC(C)C 7a_100011995859_100000210206 [0,2,0,0,0,0|1,0,0]=3 11998 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210206_100000210682 [0,2,0,0,0,0|1,0,0]=3 11999 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210682_100000210206 [0,2,0,0,0,0|1,0,0]=3 12000 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,2,0,0,0,0|1,0,1]=4 12001 B11R0.30 CC(C)CCCCNCC(C)C 2230a_100000210953_100011216152 [0,2,0,0,0,0|1,0,0]=3 12002 B11R0.30 CC(C)CCCCNCC(C)C 34a_100000210953_100011216152 [0,2,0,0,0,0|1,0,0]=3 12003 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [0,2,0,0,0,0|0,0,0]=2 12004 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [0,2,0,0,0,0|0,0,0]=2 12005 B11R0.30 CC(C)CCCCNCC(F)F 34a_100000765723_100011216152 [0,2,0,0,0,0|2,0,0]=4 12006 B11R0.30 CC(C)CCCCOCC(C)Br 34a_100012180447_100011216152 [0,2,0,0,0,0|1,0,0]=3 12007 B11R0.30 CC(C)CCCCOCC(C)C 34a_100000210257_100011216152 [0,2,0,0,0,0|1,0,0]=3 12008 B11R0.30 CC(C)CCCCOCC(C)C 34a_100011214890_100000210624 [0,2,0,0,0,0|1,0,0]=3 12009 B11R0.30 CC(C)CCCCOCC(C)C 7a_100011214890_100000210760 [0,2,0,0,0,0|1,0,0]=3 12010 B11R0.30 CC(C)CCCCOCC(C)F 34a_100015925927_100011216152 [0,2,0,0,0,0|1,0,0]=3 12011 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,2,0,0,0,0|0,0,0]=2 12012 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,2,0,0,0,0|0,0,0]=2 12013 B11R0.30 CC(C)CCCCOCC(F)F 34a_100000743014_100011216152 [0,2,0,0,0,0|2,0,0]=4 12014 B11R0.30 CC(C)CCCCOCC(F)F 34a_100011214890_100011934356 [0,2,0,0,0,0|2,0,0]=4 12015 B11R0.30 CC(C)CCCCOCC(F)F 7a_100011214890_100011934356 [0,2,0,0,0,0|2,0,0]=4 12016 B11R0.30 CC(C)CCCCOC[C@@H](C)Cl 34a_100016084084_100011216152 [0,2,0,0,0,0|1,0,0]=3 12017 B11R0.30 CC(C)CCCCOC[C@@H](C)N 34a_100000737577_100011216152 [0,2,0,0,0,0|1,0,0]=3 12018 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,2,0,0,0,0|0,0,0]=2 12019 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,2,0,0,0,0|0,0,0]=2 12020 B11R0.30 CC(C)CCCCSCC(C)C 62a_100000210624_100011216152 [0,2,0,0,0,0|1,0,0]=3 12021 B11R0.30 CC(C)CCCCSCC(C)C 62a_100011216152_100000210760 [0,2,0,0,0,0|1,0,0]=3 12022 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [0,2,0,0,0,0|0,0,0]=2 12023 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [0,2,0,0,0,0|0,0,0]=2 12024 B11R0.30 CC(C)CCCCSCC(F)F 62a_100011216152_100011934356 [0,2,0,0,0,0|2,0,0]=4 12025 B11R0.30 CC(C)CCCCSCC(F)F 62a_100011934356_100011216152 [0,2,0,0,0,0|2,0,0]=4 12026 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [0,2,0,0,0,0|0,0,0]=2 12027 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [0,2,0,0,0,0|0,0,0]=2 12028 B11R0.30 CC(C)CCCNCCC(C)C 2230a_200000737386_100000210312 [0,2,0,0,0,0|1,0,0]=3 12029 B11R0.30 CC(C)CCCNCCC(C)C 269862a_200000737386_100000185833 [0,2,0,0,0,0|1,0,0]=3 12030 B11R0.30 CC(C)CCCNCCC(C)C 34a_200000737386_100000210312 [0,2,0,0,0,0|1,0,0]=3 12031 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [0,2,0,0,0,0|0,0,0]=2 12032 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [0,2,0,0,0,0|0,0,0]=2 12033 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [0,2,0,0,0,0|0,0,0]=2 12034 B11R0.30 CC(C)CCCNCOC(C)C 2230a_200000737386_100000709892 [0,2,0,0,0,0|2,0,0]=4 12035 B11R0.30 CC(C)CCCNCOC(C)C 34a_200000737386_100000709892 [0,2,0,0,0,0|2,0,0]=4 12036 B11R0.30 CC(C)CCCOCCC(C)Br 34a_100009893172_100011214892 [0,2,0,0,0,0|1,0,0]=3 12037 B11R0.30 CC(C)CCCOCCC(C)C 34a_100000210254_100011214892 [0,2,0,0,0,0|1,0,0]=3 12038 B11R0.30 CC(C)CCCOCCC(C)C 34a_100000210774_100000210312 [0,2,0,0,0,0|1,0,0]=3 12039 B11R0.30 CC(C)CCCOCCC(C)C 7a_100000210254_100011214892 [0,2,0,0,0,0|1,0,0]=3 12040 B11R0.30 CC(C)CCCOCCC(C)C 7a_100000210774_100000210626 [0,2,0,0,0,0|1,0,0]=3 12041 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [0,2,0,0,0,0|0,0,0]=2 12042 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [0,2,0,0,0,0|0,0,0]=2 12043 B11R0.30 CC(C)CCCOCCC(F)F 34a_100103093639_100011214892 [0,2,0,0,0,0|2,0,0]=4 12044 B11R0.30 CC(C)CCCOCCN(C)C 7a_100000210774_100000755713 [0,2,0,0,0,0|2,0,0]=4 12045 B11R0.30 CC(C)CCCOCC[C@@H](C)N 34a_100000706166_100011214892 [0,2,0,0,0,0|1,0,0]=3 12046 B11R0.30 CC(C)CCCOCOC(C)C 34a_100000210774_100000709892 [0,2,0,0,0,0|2,0,0]=4 12047 B11R0.30 CC(C)CCCSCCC(C)C 62a_100000210312_100011214892 [0,2,0,0,0,0|1,0,0]=3 12048 B11R0.30 CC(C)CCCSCCC(C)C 62a_100011214892_100000210312 [0,2,0,0,0,0|1,0,0]=3 12049 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [0,2,0,0,0,0|0,0,0]=2 12050 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [0,2,0,0,0,0|0,0,0]=2 12051 B11R0.30 CC(C)CCCSCCN(C)C 62a_100011214892_100000755713 [0,2,0,0,0,0|2,0,0]=4 12052 B11R0.30 CC(C)CCCSCOC(C)C 62a_100000709892_100011214892 [0,2,0,0,0,0|2,0,0]=4 12053 B11R0.30 CC(C)CCCSCOC(C)C 62a_100011214892_100000709892 [0,2,0,0,0,0|2,0,0]=4 12054 B11R0.30 CC(C)CCNCCCN(C)C 269862a_102531767803_100000185833 [0,2,0,0,0,0|2,0,0]=4 12055 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [0,2,0,0,0,0|1,0,1]=4 12056 B11R0.30 CC(C)CCNCCOC(C)C 2230a_100000701111_100000210312 [0,2,0,0,0,0|2,0,0]=4 12057 B11R0.30 CC(C)CCNCCOC(C)C 269862a_100000701111_100000185833 [0,2,0,0,0,0|2,0,0]=4 12058 B11R0.30 CC(C)CCNCCOC(C)C 34a_100000701111_100000210312 [0,2,0,0,0,0|2,0,0]=4 12059 B11R0.30 CC(C)CCNCCSC(C)C 2230a_100000731138_100000210312 [0,2,0,0,0,0|2,0,0]=4 12060 B11R0.30 CC(C)CCNCCSC(C)C 269862a_100000731138_100000185833 [0,2,0,0,0,0|2,0,0]=4 12061 B11R0.30 CC(C)CCNCCSC(C)C 34a_100000731138_100000210312 [0,2,0,0,0,0|2,0,0]=4 12062 B11R0.30 CC(C)CCOCCCC(C)O 34a_100000210254_200000718107 [0,2,0,0,0,0|0,0,0]=2 12063 B11R0.30 CC(C)CCOCCCC(C)O 7a_100000210254_200000718107 [0,2,0,0,0,0|0,0,0]=2 12064 B11R0.30 CC(C)CCOCCCN(C)C 7a_100000210254_100000757444 [0,2,0,0,0,0|2,0,0]=4 12065 B11R0.30 CC(C)CCOCCNC(C)C 34a_100000224655_100000210312 [0,2,0,0,0,0|2,0,0]=4 12066 B11R0.30 CC(C)CCOCCOC(C)C 34a_100000210254_100000211751 [0,2,0,0,0,0|2,0,0]=4 12067 B11R0.30 CC(C)CCOCCOC(C)C 34a_100000211219_100000210312 [0,2,0,0,0,0|2,0,0]=4 12068 B11R0.30 CC(C)CCOCCOC(C)C 7a_100000210254_100000211751 [0,2,0,0,0,0|2,0,0]=4 12069 B11R0.30 CC(C)CCOCCOC(C)C 7a_100000211219_100000210626 [0,2,0,0,0,0|2,0,0]=4 12070 B11R0.30 CC(C)CCOCCSC(C)C 34a_100000210254_100000730970 [0,2,0,0,0,0|2,0,0]=4 12071 B11R0.30 CC(C)CCOCCSC(C)C 34a_200011212901_100000210312 [0,2,0,0,0,0|2,0,0]=4 12072 B11R0.30 CC(C)CCOCCSC(C)C 7a_100000210254_100000730970 [0,2,0,0,0,0|2,0,0]=4 12073 B11R0.30 CC(C)CCOCCSC(C)C 7a_200011212901_100000210626 [0,2,0,0,0,0|2,0,0]=4 12074 B11R0.30 CC(C)CCSCCCC(C)O 62a_100000210312_200000718107 [0,2,0,0,0,0|0,0,0]=2 12075 B11R0.30 CC(C)CCSCCCC(C)O 62a_200000718107_100000210312 [0,2,0,0,0,0|0,0,0]=2 12076 B11R0.30 CC(C)CCSCCCN(C)C 62a_100000210312_100000757444 [0,2,0,0,0,0|2,0,0]=4 12077 B11R0.30 CC(C)CCSCCOC(C)C 62a_100000210312_100000211751 [0,2,0,0,0,0|2,0,0]=4 12078 B11R0.30 CC(C)CCSCCOC(C)C 62a_100000211751_100000210312 [0,2,0,0,0,0|2,0,0]=4 12079 B11R0.30 CC(C)CCSCCSC(C)C 62a_100000210312_100000730970 [0,2,0,0,0,0|2,0,0]=4 12080 B11R0.30 CC(C)CCSCCSC(C)C 62a_100000730970_100000210312 [0,2,0,0,0,0|2,0,0]=4 12081 B11R0.30 CC(C)CNCCCCB(O)O 2230a_100000210953_200009817182 [0,2,0,0,0,0|2,0,0]=4 12082 B11R0.30 CC(C)CNCCCCB(O)O 34a_100000210953_200009817182 [0,2,0,0,0,0|2,0,0]=4 12083 B11R0.30 CC(C)CNCCCOC(C)C 2230a_100000737246_100000210760 [0,2,0,0,0,0|2,0,0]=4 12084 B11R0.30 CC(C)CNCCCOC(C)C 270004a_100000737246_100000210432 [0,2,0,0,0,0|2,0,0]=4 12085 B11R0.30 CC(C)CNCCCOC(C)C 34a_100000737246_100000210624 [0,2,0,0,0,0|2,0,0]=4 12086 B11R0.30 CC(C)CNCCOCC(C)C 34a_100015185251_100000210624 [0,2,0,0,0,0|2,0,0]=4 12087 B11R0.30 CC(C)CNCCOCC(C)O 34a_100015185251_100011218427 [0,2,0,0,0,0|1,0,0]=3 12088 B11R0.30 CC(C)CNCCOC[C@@H](C)O 34a_100015185251_100009817552 [0,2,0,0,0,0|1,0,0]=3 12089 B11R0.30 CC(C)COCCCCB(O)O 34a_100000210257_200009817182 [0,2,0,0,0,0|2,0,0]=4 12090 B11R0.30 CC(C)COCCCNC(C)C 2230a_100000205972_100000210206 [0,2,0,0,0,0|2,0,0]=4 12091 B11R0.30 CC(C)COCCCNC(C)C 34a_100000182298_100000210624 [0,2,0,0,0,0|2,0,0]=4 12092 B11R0.30 CC(C)COCCCNC(C)C 34a_100000205972_100000210206 [0,2,0,0,0,0|2,0,0]=4 12093 B11R0.30 CC(C)COCCOCC(C)C 34a_100000703358_100000210624 [0,2,0,0,0,0|2,0,0]=4 12094 B11R0.30 CC(C)COCCOCC(C)C 7a_100000703358_100000210760 [0,2,0,0,0,0|2,0,0]=4 12095 B11R0.30 CC(C)COCCOCC(C)O 34a_100000703358_100011218427 [0,2,0,0,0,0|1,0,0]=3 12096 B11R0.30 CC(C)COCCOCC(C)O 7a_100000703358_100011218427 [0,2,0,0,0,0|1,0,0]=3 12097 B11R0.30 CC(C)COCCOC[C@@H](C)O 34a_100000703358_100009817552 [0,2,0,0,0,0|1,0,0]=3 12098 B11R0.30 CC(C)COCCOC[C@@H](C)O 7a_100000703358_100009817552 [0,2,0,0,0,0|1,0,0]=3 12099 B11R0.30 CC(C)COCCSCC(C)C 34a_200000230437_100000210624 [0,2,0,0,0,0|2,0,0]=4 12100 B11R0.30 CC(C)COCCSCC(C)C 7a_200000230437_100000210760 [0,2,0,0,0,0|2,0,0]=4 12101 B11R0.30 CC(C)CSCCCCB(O)O 62a_100000210624_200009817182 [0,2,0,0,0,0|2,0,0]=4 12102 B11R0.30 CC(C)CSCCCCB(O)O 62a_200009817182_100000210760 [0,2,0,0,0,0|2,0,0]=4 12103 B11R0.30 CC(C)CSCCCCN(C)C 62a_100000210624_100000690147 [0,2,0,0,0,0|2,0,0]=4 12104 B11R0.30 CC(C)CSCCOCC(C)O 34a_200000230437_100011218427 [0,2,0,0,0,0|1,0,0]=3 12105 B11R0.30 CC(C)CSCCOCC(C)O 7a_200000230437_100011218427 [0,2,0,0,0,0|1,0,0]=3 12106 B11R0.30 CC(C)CSCCOC[C@@H](C)O 34a_200000230437_100009817552 [0,2,0,0,0,0|1,0,0]=3 12107 B11R0.30 CC(C)CSCCOC[C@@H](C)O 7a_200000230437_100009817552 [0,2,0,0,0,0|1,0,0]=3 12108 B11R0.30 CC(C)NCCCCCB(O)O 2230a_100138425928_200009817188 [0,2,0,0,0,0|2,0,0]=4 12109 B11R0.30 CC(C)NCCCCCB(O)O 34a_100138425928_200009817188 [0,2,0,0,0,0|2,0,0]=4 12110 B11R0.30 CC(C)NCCCCOC(C)C 34a_100011521146_100000210206 [0,2,0,0,0,0|2,0,0]=4 12111 B11R0.30 CC(C)NCCCOC[C@@H](C)O 34a_100000182298_100009817552 [0,2,0,0,0,0|1,0,0]=3 12112 B11R0.30 CC(C)OCCCCCB(O)O 34a_100000212225_200009817188 [0,2,0,0,0,0|2,0,0]=4 12113 B11R0.30 CC(C)OCCCNC[C@@H](C)O 2230a_100000737246_100009817552 [0,2,0,0,0,0|1,0,0]=3 12114 B11R0.30 CC(C)OCCCNC[C@@H](C)O 34a_100000737246_100009817552 [0,2,0,0,0,0|1,0,0]=3 12115 B11R0.30 CC(C)OCCOCC[C@@H](C)N 34a_100000706166_100000211751 [0,2,0,0,0,0|2,0,0]=4 12116 B11R0.30 CC(C)SCCCCCB(O)O 62a_100000210206_200009817188 [0,2,0,0,0,0|2,0,0]=4 12117 B11R0.30 CC(C)SCCCCCB(O)O 62a_200009817188_100000210206 [0,2,0,0,0,0|2,0,0]=4 12118 B11R0.30 CC(C)SCCOCC[C@@H](C)N 34a_100000706166_100000730970 [0,2,0,0,0,0|2,0,0]=4 12119 B11R0.30 CC(F)COCCCCB(O)O 34a_100015925927_200009817182 [0,2,0,0,0,0|2,0,0]=4 12120 B11R0.30 CC(O)CCCNCCC(C)O 2230a_200000755665_200000718107 [0,2,0,0,0,0|0,0,0]=2 12121 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,2,0,0,0,0|1,0,1]=4 12122 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,2,0,0,0,0|1,0,1]=4 12123 B11R0.30 CC(O)CCCOCCC(C)Br 34a_100009893172_200000718107 [0,2,0,0,0,0|0,0,0]=2 12124 B11R0.30 CC(O)CCCOCCC(F)F 34a_100103093639_200000718107 [0,2,0,0,0,0|1,0,0]=3 12125 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [0,2,0,0,0,0|0,0,0]=2 12126 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,2,0,0,0,0|1,0,1]=4 12127 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,2,0,0,0,0|1,0,1]=4 12128 B11R0.30 CC(O)CCCSCCC(C)O 62a_100012276601_200000718107 [0,2,0,0,0,0|0,0,0]=2 12129 B11R0.30 CC(O)CCCSCCC(C)O 62a_200000718107_100012276601 [0,2,0,0,0,0|0,0,0]=2 12130 B11R0.30 CC(O)CCCSCCN(C)C 62a_200000718107_100000755713 [0,2,0,0,0,0|1,0,0]=3 12131 B11R0.30 CC(O)CCCSCOC(C)C 62a_100000709892_200000718107 [0,2,0,0,0,0|1,0,0]=3 12132 B11R0.30 CC(O)CCCSCOC(C)C 62a_200000718107_100000709892 [0,2,0,0,0,0|1,0,0]=3 12133 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,2,0,0,0,0|1,0,1]=4 12134 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,2,0,0,0,0|1,0,0]=3 12135 B11R0.30 CC(O)CCNCCOC(C)C 2230a_100000701111_100012276601 [0,2,0,0,0,0|1,0,0]=3 12136 B11R0.30 CC(O)CCNCCOC(C)C 2230a_200000755665_100000211751 [0,2,0,0,0,0|1,0,0]=3 12137 B11R0.30 CC(O)CCNCCOC(C)C 34a_100000701111_100012276601 [0,2,0,0,0,0|1,0,0]=3 12138 B11R0.30 CC(O)CCNCCSC(C)C 2230a_100000731138_100012276601 [0,2,0,0,0,0|1,0,0]=3 12139 B11R0.30 CC(O)CCNCCSC(C)C 2230a_200000755665_100000730970 [0,2,0,0,0,0|1,0,0]=3 12140 B11R0.30 CC(O)CCNCCSC(C)C 34a_100000731138_100012276601 [0,2,0,0,0,0|1,0,0]=3 12141 B11R0.30 CC(O)CCOCCC[N+](=O)[O-] 34a_200000037920_100012276601 [0,2,0,0,0,0|2,0,0]=4 12142 B11R0.30 CC(O)CCOCCNC(C)C 34a_100000224655_100012276601 [0,2,0,0,0,0|1,0,0]=3 12143 B11R0.30 CC(O)CCOCCOC(C)C 34a_100000211219_100012276601 [0,2,0,0,0,0|1,0,0]=3 12144 B11R0.30 CC(O)CCOCCOC(C)C 7a_100000211219_100012276601 [0,2,0,0,0,0|1,0,0]=3 12145 B11R0.30 CC(O)CCOCCSC(C)C 34a_200011212901_100012276601 [0,2,0,0,0,0|1,0,0]=3 12146 B11R0.30 CC(O)CCOCCSC(C)C 7a_200011212901_100012276601 [0,2,0,0,0,0|1,0,0]=3 12147 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,2,0,0,0,0|1,0,1]=4 12148 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,2,0,0,0,0|1,0,1]=4 12149 B11R0.30 CC(O)CCSCCCN(C)C 62a_100012276601_100000757444 [0,2,0,0,0,0|1,0,0]=3 12150 B11R0.30 CC(O)CCSCCOC(C)C 62a_100000211751_100012276601 [0,2,0,0,0,0|1,0,0]=3 12151 B11R0.30 CC(O)CCSCCOC(C)C 62a_100012276601_100000211751 [0,2,0,0,0,0|1,0,0]=3 12152 B11R0.30 CC(O)CCSCCSC(C)C 62a_100000730970_100012276601 [0,2,0,0,0,0|1,0,0]=3 12153 B11R0.30 CC(O)CCSCCSC(C)C 62a_100012276601_100000730970 [0,2,0,0,0,0|1,0,0]=3 12154 B11R0.30 CC(O)CNCCCCB(O)O 2230a_100000210904_200009817182 [0,2,0,0,0,0|2,0,0]=4 12155 B11R0.30 CC(O)CNCCCCB(O)O 34a_100000210904_200009817182 [0,2,0,0,0,0|2,0,0]=4 12156 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,2,0,0,0,0|1,0,1]=4 12157 B11R0.30 CC(O)CNCCCOC(C)C 2230a_100000737246_100011218427 [0,2,0,0,0,0|1,0,0]=3 12158 B11R0.30 CC(O)CNCCCOC(C)C 34a_100000737246_100011218427 [0,2,0,0,0,0|1,0,0]=3 12159 B11R0.30 CC(O)CNCCOCC(F)F 2230a_100000210904_200012177212 [0,2,0,0,0,0|2,0,0]=4 12160 B11R0.30 CC(O)CNCCOCC(F)F 34a_100000210904_200012177212 [0,2,0,0,0,0|2,0,0]=4 12161 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,2,0,0,0,0|1,0,1]=4 12162 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,2,0,0,0,0|1,0,1]=4 12163 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218427 [0,2,0,0,0,0|2,0,0]=4 12164 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218427 [0,2,0,0,0,0|2,0,0]=4 12165 B11R0.30 CC(O)COCCCNC(C)C 34a_100000182298_100011218427 [0,2,0,0,0,0|1,0,0]=3 12166 B11R0.30 CC(O)COCCOCC(F)F 34a_100000704375_100011218427 [0,2,0,0,0,0|2,0,0]=4 12167 B11R0.30 CC(O)COCCOCC(F)F 7a_100000704375_100011218427 [0,2,0,0,0,0|2,0,0]=4 12168 B11R0.30 CC(O)CSCCCCB(O)O 62a_100011218427_200009817182 [0,2,0,0,0,0|2,0,0]=4 12169 B11R0.30 CC(O)CSCCCCB(O)O 62a_200009817182_100011218427 [0,2,0,0,0,0|2,0,0]=4 12170 B11R0.30 CC(O)CSCCCCN(C)C 62a_100011218427_100000690147 [0,2,0,0,0,0|1,0,0]=3 12171 B11R0.30 CC(O)CSCCOCC(F)F 62a_100011218427_200012177212 [0,2,0,0,0,0|2,0,0]=4 12172 B11R0.30 CC(O)CSCCOCC(F)F 62a_200012177212_100011218427 [0,2,0,0,0,0|2,0,0]=4 12173 B11R0.30 CN(C)CCCCCCB(O)O 2230a_100102631434_100009817187 [0,2,0,0,0,0|2,0,0]=4 12174 B11R0.30 CN(C)CCCCCCB(O)O 269982a_100102631434_100009817187 [0,2,0,0,0,0|2,0,0]=4 12175 B11R0.30 C[C@@H](Cl)COCCCCB(O)O 34a_100016084084_200009817182 [0,2,0,0,0,0|2,0,0]=4 12176 B11R0.30 C[C@@H](N)COCCCCB(O)O 34a_100000737577_200009817182 [0,2,0,0,0,0|2,0,0]=4 12177 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,2,0,0,0,0|1,0,1]=4 12178 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,2,0,0,0,0|1,0,1]=4 12179 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,2,0,0,0,0|1,0,1]=4 12180 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 34a_200015379883_100009817552 [0,2,0,0,0,0|2,0,0]=4 12181 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 7a_200015379883_100009817552 [0,2,0,0,0,0|2,0,0]=4 12182 B11R0.30 C[C@@H](O)COCCOCC(F)F 34a_100000704375_100009817552 [0,2,0,0,0,0|2,0,0]=4 12183 B11R0.30 C[C@@H](O)COCCOCC(F)F 7a_100000704375_100009817552 [0,2,0,0,0,0|2,0,0]=4 12184 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_100009817552_200009817182 [0,2,0,0,0,0|2,0,0]=4 12185 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_200009817182_100009817552 [0,2,0,0,0,0|2,0,0]=4 12186 B11R0.30 C[C@@H](O)CSCCCCN(C)C 62a_100009817552_100000690147 [0,2,0,0,0,0|1,0,0]=3 12187 B11R0.30 C[C@@H](O)CSCCOCC(F)F 62a_100009817552_200012177212 [0,2,0,0,0,0|2,0,0]=4 12188 B11R0.30 C[C@@H](O)CSCCOCC(F)F 62a_200012177212_100009817552 [0,2,0,0,0,0|2,0,0]=4 12189 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,2,0,0,0,0|1,0,0]=3 12190 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,2,0,0,0,0|1,0,0]=3 12191 B11R0.40 C#CC(C)NCCCCCCF 2230a_100000707721_100015922095 [0,2,0,0,0,0|2,0,0]=4 12192 B11R0.40 C#CC(C)NCCCCCCF 34a_100000707721_100015922095 [0,2,0,0,0,0|2,0,0]=4 12193 B11R0.40 C#CC(C)NCCCCCCO 2230a_100000707721_100000766143 [0,2,0,0,0,0|2,0,0]=4 12194 B11R0.40 C#CC(C)NCCCCCCO 34a_100000686447_200000035995 [0,2,0,0,0,0|2,0,0]=4 12195 B11R0.40 C#CC(C)NCCCCCCO 34a_100000707721_100000766143 [0,2,0,0,0,0|2,0,0]=4 12196 B11R0.40 C#CC(C)NCCCCCOC 34a_100000747528_200000035995 [0,2,0,0,0,0|2,0,0]=4 12197 B11R0.40 C#CC(C)NCCCOCCC 34a_100011217757_200000035995 [0,2,0,0,0,0|2,0,0]=4 12198 B11R0.40 C#CC(C)NCCOCCCC 2230a_100000707721_100000743108 [0,2,0,0,0,0|2,0,0]=4 12199 B11R0.40 C#CC(C)NCCOCCCC 34a_100000707721_100000743108 [0,2,0,0,0,0|2,0,0]=4 12200 B11R0.40 C#CC(C)OCCCCCCBr 34a_100011215345_200000035995 [0,2,0,0,0,0|2,0,0]=4 12201 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,2,0,0,0,0|1,0,0]=3 12202 B11R0.40 C#CC(C)OCCCCCCCl 34a_100000766143_200000035995 [0,2,0,0,0,0|2,0,0]=4 12203 B11R0.40 C#CC(C)OCCCCCCF 34a_100000732779_200000035995 [0,2,0,0,0,0|2,0,0]=4 12204 B11R0.40 C#CC(C)OCCCCCCN 34a_100000686447_200000035995 [0,2,0,0,0,0|2,0,0]=4 12205 B11R0.40 C#CC(C)OCCCCCNC 34a_100000722520_200000035995 [0,2,0,0,0,0|2,0,0]=4 12206 B11R0.40 C#CC(C)OCCOCCCC 34a_100000210238_200000035995 [0,2,0,0,0,0|2,0,0]=4 12207 B11R0.40 C#CC(C)OCCSCCCC 34a_200000230436_200000035995 [0,2,0,0,0,0|2,0,0]=4 12208 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,2,0,0,0,0|1,0,0]=3 12209 B11R0.40 C#CC(C)SCCCCCCF 62a_200000035995_100015922095 [0,2,0,0,0,0|2,0,0]=4 12210 B11R0.40 C#CC(C)SCCCCCCO 62a_200000035995_100000766143 [0,2,0,0,0,0|2,0,0]=4 12211 B11R0.40 C#CC(C)SCCOCCCC 62a_200000035995_100000743108 [0,2,0,0,0,0|2,0,0]=4 12212 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,2,0,0,0,0|0,0,1]=3 12213 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,2,0,0,0,0|0,0,1]=3 12214 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,2,0,0,0,0|0,0,1]=3 12215 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,2,0,0,0,0|0,0,1]=3 12216 B11R0.40 C#CC(O)CCCCCSCF 62a_100015361967_200010408556 [0,2,0,0,0,0|1,0,1]=4 12217 B11R0.40 C#CC(O)CCCCCSCF 62a_200010408556_100015361967 [0,2,0,0,0,0|1,0,1]=4 12218 B11R0.40 C#CCCCCCN[C@H](C)CO 2230a_100000737577_100012094781 [0,2,0,0,0,0|0,0,2]=4 12219 B11R0.40 C#CCCCCCOC(C)CO 34a_100000766912_100012180447 [0,2,0,0,0,0|0,0,2]=4 12220 B11R0.40 C#CCCCCCOC(C)CO 7a_100000766912_100012180447 [0,2,0,0,0,0|0,0,2]=4 12221 B11R0.40 C#CCCCCCSC(C)CO 62a_100012180447_100012094781 [0,2,0,0,0,0|0,0,2]=4 12222 B11R0.40 C#CCCCCCSC(C)OC 62a_100009879195_100012094781 [0,2,0,0,0,0|0,0,2]=4 12223 B11R0.40 C#CCCCCCSC(C)OC 62a_100012094781_100009879195 [0,2,0,0,0,0|0,0,2]=4 12224 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100012094781_100016084084 [0,2,0,0,0,0|0,0,2]=4 12225 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100016084084_100012094781 [0,2,0,0,0,0|0,0,2]=4 12226 B11R0.40 C#CCCCCNCC(C)CO 34a_100000744482_100010269958 [0,2,0,0,0,0|0,0,2]=4 12227 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,2,0,0,0,0|0,0,2]=4 12228 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,2,0,0,0,0|0,0,2]=4 12229 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,2,0,0,0,0|0,0,2]=4 12230 B11R0.40 C#CCCCCNCC(O)CO 2230a_100000706060_100011219619 [0,2,0,0,0,0|0,0,2]=4 12231 B11R0.40 C#CCCCCNCC(O)CO 34a_100000706060_100011219619 [0,2,0,0,0,0|0,0,2]=4 12232 B11R0.40 C#CCCCCNC[C@@H](C)CO 2230a_100000706060_100000059175 [0,2,0,0,0,0|0,0,2]=4 12233 B11R0.40 C#CCCCCNC[C@@H](C)CO 34a_100000706060_100000059175 [0,2,0,0,0,0|0,0,2]=4 12234 B11R0.40 C#CCCCCNC[C@@H](C)OC 2230a_100020591295_100010269958 [0,2,0,0,0,0|0,0,2]=4 12235 B11R0.40 C#CCCCCNC[C@@H](O)CF 2230a_100000706060_100015614560 [0,2,0,0,0,0|0,0,2]=4 12236 B11R0.40 C#CCCCCNC[C@@H](O)CF 34a_100000706060_100015614560 [0,2,0,0,0,0|0,0,2]=4 12237 B11R0.40 C#CCCCCNC[C@@H](O)CO 2230a_100000706060_100009815848 [0,2,0,0,0,0|0,0,2]=4 12238 B11R0.40 C#CCCCCNC[C@@H](O)CO 34a_100000706060_100009815848 [0,2,0,0,0,0|0,0,2]=4 12239 B11R0.40 C#CCCCCNC[C@H](O)CO 2230a_100020644852_100010269958 [0,2,0,0,0,0|0,0,2]=4 12240 B11R0.40 C#CCCCCOCC(C)OC 34a_100000690652_100010269958 [0,2,0,0,0,0|0,0,2]=4 12241 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,2,0,0,0,0|0,0,2]=4 12242 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,2,0,0,0,0|0,0,2]=4 12243 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [0,2,0,0,0,0|0,0,2]=4 12244 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [0,2,0,0,0,0|0,0,2]=4 12245 B11R0.40 C#CCCCCOC[C@@H](C)CO 34a_100000766709_100000059175 [0,2,0,0,0,0|0,0,2]=4 12246 B11R0.40 C#CCCCCOC[C@@H](C)CO 7a_100000766709_100000059175 [0,2,0,0,0,0|0,0,2]=4 12247 B11R0.40 C#CCCCCOC[C@@H](O)CF 34a_100000766709_100015614560 [0,2,0,0,0,0|0,0,2]=4 12248 B11R0.40 C#CCCCCOC[C@@H](O)CF 7a_100000766709_100015614560 [0,2,0,0,0,0|0,0,2]=4 12249 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [0,2,0,0,0,0|0,0,2]=4 12250 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [0,2,0,0,0,0|0,0,2]=4 12251 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,2,0,0,0,0|0,0,2]=4 12252 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,2,0,0,0,0|0,0,2]=4 12253 B11R0.40 C#CCCCCSCC(O)CO 62a_100010269958_100011219619 [0,2,0,0,0,0|0,0,2]=4 12254 B11R0.40 C#CCCCCSCC(O)CO 62a_100011219619_100010269958 [0,2,0,0,0,0|0,0,2]=4 12255 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100000059175_100010269958 [0,2,0,0,0,0|0,0,2]=4 12256 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100010269958_100000059175 [0,2,0,0,0,0|0,0,2]=4 12257 B11R0.40 C#CCCCCSC[C@@H](O)CF 62a_100010269958_100015614560 [0,2,0,0,0,0|0,0,2]=4 12258 B11R0.40 C#CCCCCSC[C@@H](O)CF 62a_100015614560_100010269958 [0,2,0,0,0,0|0,0,2]=4 12259 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100009815848_100010269958 [0,2,0,0,0,0|0,0,2]=4 12260 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100010269958_100009815848 [0,2,0,0,0,0|0,0,2]=4 12261 B11R0.40 C#CCCCNCCC(C)CO 2230a_106354213184_100000731252 [0,2,0,0,0,0|0,0,2]=4 12262 B11R0.40 C#CCCCNCCC(C)CO 34a_106354213184_100000695029 [0,2,0,0,0,0|0,0,2]=4 12263 B11R0.40 C#CCCCOCCC(C)OC 7a_100000764861_100011215417 [0,2,0,0,0,0|0,0,2]=4 12264 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,2,0,0,0,0|1,0,0]=3 12265 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,2,0,0,0,0|1,0,0]=3 12266 B11R0.40 C#C[C@@H](C)OCCCCCCF 34a_100009815206_100015922095 [0,2,0,0,0,0|2,0,0]=4 12267 B11R0.40 C#C[C@@H](C)OCCCCCCF 7a_100009815206_100015922095 [0,2,0,0,0,0|2,0,0]=4 12268 B11R0.40 C#C[C@@H](C)OCCCCCCO 34a_100009815206_100000766143 [0,2,0,0,0,0|2,0,0]=4 12269 B11R0.40 C#C[C@@H](C)OCCCCCCO 7a_100009815206_100000766143 [0,2,0,0,0,0|2,0,0]=4 12270 B11R0.40 C#C[C@@H](C)OCCOCCCC 34a_100009815206_100000743108 [0,2,0,0,0,0|2,0,0]=4 12271 B11R0.40 C#C[C@@H](C)OCCOCCCC 7a_100009815206_100000743108 [0,2,0,0,0,0|2,0,0]=4 12272 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,2,0,0,0,0|1,0,0]=3 12273 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,2,0,0,0,0|1,0,0]=3 12274 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [0,2,0,0,0,0|2,0,0]=4 12275 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [0,2,0,0,0,0|2,0,0]=4 12276 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,2,0,0,0,0|2,0,0]=4 12277 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,2,0,0,0,0|2,0,0]=4 12278 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [0,2,0,0,0,0|2,0,0]=4 12279 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [0,2,0,0,0,0|2,0,0]=4 12280 B11R0.40 C=CC(C)COCCCOCC 34a_100011215527_100012232248 [0,2,0,0,0,0|2,0,0]=4 12281 B11R0.40 C=CC(C)COCCCOCC 7a_100011215527_100012232248 [0,2,0,0,0,0|2,0,0]=4 12282 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [0,2,0,0,0,0|2,0,0]=4 12284 B11R0.40 C=CC(C)COCOCCCC 34a_100011215527_100011995733 [0,2,0,0,0,0|2,0,0]=4 12285 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,2,0,0,0,0|1,0,0]=3 12286 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [0,2,0,0,0,0|2,0,0]=4 12287 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,2,0,0,0,0|2,0,0]=4 12288 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [0,2,0,0,0,0|2,0,0]=4 12289 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,2,0,0,0,0|1,0,0]=3 12290 B11R0.40 C=CC(C)SCCCCCCF 62a_100011215867_100015922095 [0,2,0,0,0,0|2,0,0]=4 12291 B11R0.40 C=CC(C)SCCCCCCO 62a_100011215867_100000766143 [0,2,0,0,0,0|2,0,0]=4 12292 B11R0.40 C=CC(C)SCCOCCCC 62a_100011215867_100000743108 [0,2,0,0,0,0|2,0,0]=4 12293 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|0,0,1]=3 12294 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,2,0,0,0,0|1,0,1]=4 12295 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,2,0,0,0,0|1,0,1]=4 12296 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,2,0,0,0,0|1,0,1]=4 12297 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,2,0,0,0,0|1,0,1]=4 12298 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,2,0,0,0,0|1,0,1]=4 12299 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,2,0,0,0,0|1,0,1]=4 12300 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,2,0,0,0,0|1,0,1]=4 12301 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,2,0,0,0,0|1,0,1]=4 12302 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,2,0,0,0,0|1,0,1]=4 12303 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|0,0,1]=3 12304 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|0,0,1]=3 12305 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,2,0,0,0,0|1,0,1]=4 12306 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,2,0,0,0,0|1,0,1]=4 12307 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,2,0,0,0,0|1,0,1]=4 12308 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,2,0,0,0,0|1,0,1]=4 12309 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,2,0,0,0,0|1,0,1]=4 12310 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,2,0,0,0,0|1,0,1]=4 12311 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,2,0,0,0,0|1,0,1]=4 12312 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,2,0,0,0,0|1,0,1]=4 12313 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,2,0,0,0,0|1,0,1]=4 12314 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,2,0,0,0,0|1,0,1]=4 12315 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,2,0,0,0,0|1,0,1]=4 12316 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,2,0,0,0,0|1,0,1]=4 12317 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,2,0,0,0,0|1,0,1]=4 12318 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,2,0,0,0,0|1,0,1]=4 12319 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,2,0,0,0,0|1,0,1]=4 12320 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,2,0,0,0,0|1,0,1]=4 12321 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|0,0,1]=3 12322 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|0,0,1]=3 12323 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,2,0,0,0,0|1,0,1]=4 12324 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,2,0,0,0,0|1,0,1]=4 12325 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,2,0,0,0,0|1,0,1]=4 12326 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,2,0,0,0,0|1,0,1]=4 12327 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,2,0,0,0,0|1,0,1]=4 12328 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,2,0,0,0,0|1,0,1]=4 12329 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,2,0,0,0,0|1,0,1]=4 12330 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,2,0,0,0,0|1,0,1]=4 12331 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,2,0,0,0,0|1,0,1]=4 12332 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,2,0,0,0,0|1,0,1]=4 12333 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,2,0,0,0,0|1,0,1]=4 12334 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,2,0,0,0,0|1,0,1]=4 12335 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,2,0,0,0,0|0,0,2]=4 12336 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,2,0,0,0,0|0,0,2]=4 12337 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,2,0,0,0,0|0,0,2]=4 12338 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,2,0,0,0,0|0,0,2]=4 12339 B11R0.40 C=CCCCCCSC(C)OC 62a_100000700193_100009879195 [0,2,0,0,0,0|0,0,2]=4 12340 B11R0.40 C=CCCCCCSC(C)OC 62a_100009879195_100000700193 [0,2,0,0,0,0|0,0,2]=4 12341 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,2,0,0,0,0|0,0,2]=4 12342 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,2,0,0,0,0|0,0,2]=4 12343 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,2,0,0,0,0|0,0,2]=4 12344 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|0,0,2]=4 12345 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|0,0,2]=4 12346 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|0,0,2]=4 12347 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,2,0,0,0,0|0,0,2]=4 12348 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,2,0,0,0,0|0,0,2]=4 12349 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,2,0,0,0,0|0,0,2]=4 12350 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,2,0,0,0,0|0,0,2]=4 12351 B11R0.40 C=CCCCCNC[C@@H](C)OC 2230a_100020591295_100011215482 [0,2,0,0,0,0|0,0,2]=4 12352 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [0,2,0,0,0,0|0,0,2]=4 12353 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [0,2,0,0,0,0|0,0,2]=4 12354 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,2,0,0,0,0|0,0,2]=4 12355 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,2,0,0,0,0|0,0,2]=4 12356 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,2,0,0,0,0|0,0,2]=4 12357 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [0,2,0,0,0,0|0,0,2]=4 12358 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|0,0,2]=4 12359 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|0,0,2]=4 12360 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,2,0,0,0,0|0,0,2]=4 12361 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,2,0,0,0,0|0,0,2]=4 12362 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,2,0,0,0,0|0,0,2]=4 12363 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,2,0,0,0,0|0,0,2]=4 12364 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,2,0,0,0,0|0,0,2]=4 12365 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,2,0,0,0,0|0,0,2]=4 12366 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,2,0,0,0,0|0,0,2]=4 12367 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,2,0,0,0,0|0,0,2]=4 12368 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|0,0,2]=4 12369 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|0,0,2]=4 12370 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,2,0,0,0,0|0,0,2]=4 12371 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,2,0,0,0,0|0,0,2]=4 12372 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,2,0,0,0,0|0,0,2]=4 12373 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,2,0,0,0,0|0,0,2]=4 12374 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [0,2,0,0,0,0|0,0,2]=4 12375 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [0,2,0,0,0,0|0,0,2]=4 12376 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,2,0,0,0,0|0,0,2]=4 12377 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,2,0,0,0,0|0,0,2]=4 12378 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,2,0,0,0,0|0,0,2]=4 12379 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,2,0,0,0,0|0,0,2]=4 12380 B11R0.40 C=CCCCOCCC(C)OC 7a_100000764861_100000757094 [0,2,0,0,0,0|0,0,2]=4 12381 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,1]=4 12382 B11R0.40 CC(C#N)NCCCCCCF 2230a_100000737613_100015922095 [0,2,0,0,0,0|2,0,0]=4 12383 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000686447_100000184139 [0,2,0,0,0,0|2,0,0]=4 12384 B11R0.40 CC(C#N)NCCCCCCO 2230a_100000737613_100000766143 [0,2,0,0,0,0|2,0,0]=4 12385 B11R0.40 CC(C#N)OCCCCCCBr 7a_100011215345_100000703298 [0,2,0,0,0,0|2,0,0]=4 12386 B11R0.40 CC(C#N)OCCCCCCCl 7a_100000766143_100000703298 [0,2,0,0,0,0|2,0,0]=4 12387 B11R0.40 CC(C#N)OCCCCCCF 34a_100011218135_100015922095 [0,2,0,0,0,0|2,0,0]=4 12388 B11R0.40 CC(C#N)OCCCCCCF 7a_100000732779_100000703298 [0,2,0,0,0,0|2,0,0]=4 12389 B11R0.40 CC(C#N)OCCCCCCO 34a_100011218135_100000766143 [0,2,0,0,0,0|2,0,0]=4 12390 B11R0.40 CC(C#N)SCCCCCCF 62a_100000703298_100015922095 [0,2,0,0,0,0|2,0,0]=4 12391 B11R0.40 CC(C#N)SCCCCCCF 62a_100015922095_100000703298 [0,2,0,0,0,0|2,0,0]=4 12392 B11R0.40 CC(C#N)SCCCCCCO 62a_100000703298_100000766143 [0,2,0,0,0,0|2,0,0]=4 12393 B11R0.40 CC(C#N)SCCCCCCO 62a_100000766143_100000703298 [0,2,0,0,0,0|2,0,0]=4 12394 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [0,2,0,0,0,0|2,0,0]=4 12395 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [0,2,0,0,0,0|2,0,0]=4 12396 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,2,0,0,0,0|2,0,0]=4 12397 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,2,0,0,0,0|2,0,0]=4 12398 B11R0.40 CC(CN)COCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|2,0,0]=4 12399 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|2,0,0]=4 12400 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|2,0,0]=4 12401 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 12402 B11R0.40 CC(CO)CCNCCCC#N 2230a_106354213184_100000687738 [0,2,0,0,0,0|1,0,1]=4 12403 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,2,0,0,0,0|1,0,1]=4 12404 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 12405 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 12406 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,2,0,0,0,0|1,0,0]=3 12407 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|1,0,0]=3 12408 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|1,0,0]=3 12409 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,0]=3 12410 B11R0.40 CC(CO)CNCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|2,0,0]=4 12411 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 12412 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 12413 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,2,0,0,0,0|1,0,0]=3 12414 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,2,0,0,0,0|1,0,0]=3 12415 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,2,0,0,0,0|1,0,0]=3 12416 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,2,0,0,0,0|1,0,0]=3 12417 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,2,0,0,0,0|1,0,0]=3 12418 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,2,0,0,0,0|1,0,0]=3 12419 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 12420 B11R0.40 CC(CO)SCCCCCC#N 62a_100012180447_100009813376 [0,2,0,0,0,0|1,0,1]=4 12421 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,2,0,0,0,0|1,0,1]=4 12422 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [0,2,0,0,0,0|1,0,0]=3 12423 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,2,0,0,0,0|1,0,0]=3 12424 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 12425 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 12426 B11R0.40 CC/C=C\CCNCC(C)CO 34a_100000744482_100015370543 [0,2,0,0,0,0|0,0,2]=4 12427 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,2,0,0,0,0|0,0,2]=4 12428 B11R0.40 CC/C=C\CCNC[C@@H](C)OC 2230a_100020591295_100015370543 [0,2,0,0,0,0|0,0,2]=4 12429 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,2,0,0,0,0|0,0,2]=4 12430 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [0,2,0,0,0,0|0,0,2]=4 12431 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,2,0,0,0,0|0,0,2]=4 12432 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,2,0,0,0,0|0,0,2]=4 12433 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 12434 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 12435 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 12436 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 12437 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,2,0,0,0,0|0,0,2]=4 12438 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,2,0,0,0,0|0,0,2]=4 12439 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 12440 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 12441 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,2,0,0,0,0|0,0,2]=4 12442 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,2,0,0,0,0|0,0,2]=4 12443 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,2,0,0,0,0|0,0,2]=4 12444 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,2,0,0,0,0|0,0,2]=4 12445 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100000059175_100015370543 [0,2,0,0,0,0|0,0,2]=4 12446 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100015370543_100000059175 [0,2,0,0,0,0|0,0,2]=4 12447 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015370543_100015614560 [0,2,0,0,0,0|0,0,2]=4 12448 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015614560_100015370543 [0,2,0,0,0,0|0,0,2]=4 12449 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,2,0,0,0,0|0,0,2]=4 12450 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,2,0,0,0,0|0,0,2]=4 12451 B11R0.40 CC/C=C\CNCCC(C)CO 2230a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 12452 B11R0.40 CC/C=C\CNCCC(C)CO 34a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 12453 B11R0.40 CC/C=C\COCCC(C)OC 7a_100000764861_100103147603 [0,2,0,0,0,0|0,0,2]=4 12454 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,2,0,0,0,0|0,0,2]=4 12455 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,2,0,0,0,0|0,0,2]=4 12456 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [0,2,0,0,0,0|0,0,2]=4 12457 B11R0.40 CC=CCCCOC[C@@H](O)CF 34a_100020645299_100015614560 [0,2,0,0,0,0|0,0,2]=4 12458 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,2,0,0,0,0|0,0,2]=4 12459 B11R0.40 CCC#CCCOCC(O)CC 34a_100000036655_100011218378 [0,2,0,0,0,0|0,0,2]=4 12460 B11R0.40 CCC#CCCOCC(O)CC 7a_100000036655_100011218378 [0,2,0,0,0,0|0,0,2]=4 12461 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,2,0,0,0,0|0,0,2]=4 12462 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,2,0,0,0,0|0,0,2]=4 12463 B11R0.40 CCC#CCCOC[C@@H](C)CO 34a_100000036655_100000059175 [0,2,0,0,0,0|0,0,2]=4 12464 B11R0.40 CCC#CCCOC[C@@H](C)CO 7a_100000036655_100000059175 [0,2,0,0,0,0|0,0,2]=4 12465 B11R0.40 CCC#CCCOC[C@@H](O)CF 34a_100000036655_100015614560 [0,2,0,0,0,0|0,0,2]=4 12466 B11R0.40 CCC#CCCOC[C@@H](O)CF 7a_100000036655_100015614560 [0,2,0,0,0,0|0,0,2]=4 12467 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,2,0,0,0,0|0,0,2]=4 12468 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,2,0,0,0,0|0,0,2]=4 12469 B11R0.40 CCC#CCNCCC(C)CO 2230a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 12470 B11R0.40 CCC#CCNCCC(C)CO 34a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 12471 B11R0.40 CCC#CCOCCC(C)OC 7a_100000764861_100009813939 [0,2,0,0,0,0|0,0,2]=4 12472 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|0,0,2]=4 12473 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|0,0,2]=4 12474 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|0,0,2]=4 12475 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,2,0,0,0,0|2,0,0]=4 12476 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,2,0,0,0,0|2,0,0]=4 12477 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|2,0,0]=4 12478 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|2,0,0]=4 12479 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,2,0,0,0,0|2,0,0]=4 12480 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,2,0,0,0,0|2,0,0]=4 12481 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|2,0,0]=4 12482 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|2,0,0]=4 12483 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,2,0,0,0,0|2,0,0]=4 12484 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|2,0,0]=4 12485 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|2,0,0]=4 12486 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,2,0,0,0,0|2,0,0]=4 12487 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|2,0,0]=4 12488 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|2,0,0]=4 12489 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|2,0,0]=4 12490 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|2,0,0]=4 12491 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,2,0,0,0,0|2,0,0]=4 12492 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,2,0,0,0,0|2,0,0]=4 12493 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,2,0,0,0,0|2,0,0]=4 12494 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,2,0,0,0,0|2,0,0]=4 12495 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,2,0,0,0,0|2,0,0]=4 12496 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,2,0,0,0,0|2,0,0]=4 12497 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,2,0,0,0,0|2,0,0]=4 12498 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,2,0,0,0,0|2,0,0]=4 12499 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,2,0,0,0,0|2,0,0]=4 12500 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,2,0,0,0,0|2,0,0]=4 12501 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,2,0,0,0,0|2,0,0]=4 12502 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,2,0,0,0,0|2,0,0]=4 12503 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,2,0,0,0,0|2,0,0]=4 12504 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|2,0,0]=4 12505 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|2,0,0]=4 12506 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,2,0,0,0,0|2,0,0]=4 12507 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,2,0,0,0,0|2,0,0]=4 12508 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,2,0,0,0,0|2,0,0]=4 12509 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|2,0,0]=4 12510 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|2,0,0]=4 12511 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|2,0,0]=4 12512 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|2,0,0]=4 12513 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|2,0,0]=4 12514 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,2,0,0,0,0|2,0,0]=4 12515 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,2,0,0,0,0|2,0,0]=4 12516 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,2,0,0,0,0|2,0,0]=4 12517 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,2,0,0,0,0|2,0,0]=4 12518 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,2,0,0,0,0|2,0,0]=4 12519 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,2,0,0,0,0|2,0,0]=4 12520 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,2,0,0,0,0|2,0,0]=4 12521 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,2,0,0,0,0|2,0,0]=4 12522 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|2,0,0]=4 12523 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,2,0,0,0,0|2,0,0]=4 12524 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,2,0,0,0,0|2,0,0]=4 12525 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,2,0,0,0,0|2,0,0]=4 12526 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|2,0,0]=4 12527 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|2,0,0]=4 12528 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,2,0,0,0,0|1,0,1]=4 12529 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|1,0,1]=4 12530 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,2,0,0,0,0|1,0,0]=3 12531 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 12532 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|1,0,0]=3 12533 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 12534 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,2,0,0,0,0|1,0,0]=3 12535 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 12536 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,2,0,0,0,0|2,0,0]=4 12537 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 12538 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,2,0,0,0,0|2,0,0]=4 12539 B11R0.40 CCC(O)CNCOCCOC 2230a_100011218483_100000231047 [0,2,0,0,0,0|2,0,0]=4 12540 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|1,0,0]=3 12541 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|1,0,0]=3 12542 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 12543 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 12544 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|1,0,0]=3 12545 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|1,0,0]=3 12546 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 12547 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,2,0,0,0,0|1,0,0]=3 12548 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,2,0,0,0,0|1,0,0]=3 12549 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,2,0,0,0,0|1,0,0]=3 12550 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,2,0,0,0,0|2,0,0]=4 12551 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,2,0,0,0,0|2,0,0]=4 12552 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 12553 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 12554 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,2,0,0,0,0|2,0,0]=4 12555 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,2,0,0,0,0|2,0,0]=4 12556 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,2,0,0,0,0|2,0,0]=4 12557 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,2,0,0,0,0|2,0,0]=4 12558 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 12559 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,2,0,0,0,0|1,0,1]=4 12560 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,2,0,0,0,0|1,0,1]=4 12561 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|1,0,1]=4 12562 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|1,0,1]=4 12563 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,2,0,0,0,0|1,0,0]=3 12564 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,2,0,0,0,0|1,0,0]=3 12565 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 12566 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|1,0,0]=3 12567 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,2,0,0,0,0|1,0,0]=3 12568 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,2,0,0,0,0|1,0,0]=3 12569 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 12570 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,2,0,0,0,0|2,0,0]=4 12571 B11R0.40 CCC(O)CSCOCCOC 62a_100000231047_100011218378 [0,2,0,0,0,0|2,0,0]=4 12572 B11R0.40 CCC(O)CSCOCCOC 62a_100011218378_100000231047 [0,2,0,0,0,0|2,0,0]=4 12573 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,2,0,0,0,0|0,0,2]=4 12574 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,2,0,0,0,0|0,0,2]=4 12575 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|0,0,2]=4 12576 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|0,0,2]=4 12577 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|0,0,2]=4 12578 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|0,0,2]=4 12579 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,2,0,0,0,0|0,0,2]=4 12580 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,2,0,0,0,0|0,0,2]=4 12581 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|0,0,2]=4 12582 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|0,0,2]=4 12583 B11R0.40 CCCC#CCCOC(C)CO 34a_100000042726_100012180447 [0,2,0,0,0,0|0,0,2]=4 12584 B11R0.40 CCCC#CCCOC(C)CO 7a_100000042726_100012180447 [0,2,0,0,0,0|0,0,2]=4 12585 B11R0.40 CCCC#CCOCC(O)CC 34a_100000034806_100011218378 [0,2,0,0,0,0|0,0,2]=4 12586 B11R0.40 CCCC#CCOCC(O)CC 7a_100000034806_100011218378 [0,2,0,0,0,0|0,0,2]=4 12587 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [0,2,0,0,0,0|0,0,2]=4 12588 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [0,2,0,0,0,0|0,0,2]=4 12589 B11R0.40 CCCC#CCOC[C@@H](C)CO 34a_100000034806_100000059175 [0,2,0,0,0,0|0,0,2]=4 12590 B11R0.40 CCCC#CCOC[C@@H](C)CO 7a_100000034806_100000059175 [0,2,0,0,0,0|0,0,2]=4 12591 B11R0.40 CCCC#CCOC[C@@H](O)CF 34a_100000034806_100015614560 [0,2,0,0,0,0|0,0,2]=4 12592 B11R0.40 CCCC#CCOC[C@@H](O)CF 7a_100000034806_100015614560 [0,2,0,0,0,0|0,0,2]=4 12593 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [0,2,0,0,0,0|0,0,2]=4 12594 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [0,2,0,0,0,0|0,0,2]=4 12595 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 12596 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 12597 B11R0.40 CCCCC#CCOC(C)CO 34a_200000034558_100012180447 [0,2,0,0,0,0|0,0,2]=4 12598 B11R0.40 CCCCC#CCOC(C)CO 7a_200000034558_100012180447 [0,2,0,0,0,0|0,0,2]=4 12599 B11R0.40 CCCCC=NNCC(O)CC 4a_100015206393_100000210104 [0,2,0,0,0,0|1,0,1]=4 12600 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|0,0,2]=4 12601 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|0,0,2]=4 12602 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|0,0,2]=4 12603 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 12604 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|0,0,2]=4 12605 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 12606 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 12607 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 12608 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,2,0,0,0,0|1,0,0]=3 12609 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|0,0,0]=2 12610 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|0,0,0]=2 12611 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|0,0,0]=2 12612 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|0,0,0]=2 12613 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,2,0,0,0,0|2,0,0]=4 12614 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,2,0,0,0,0|2,0,0]=4 12615 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,2,0,0,0,0|2,0,0]=4 12616 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,2,0,0,0,0|2,0,0]=4 12617 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,2,0,0,0,0|2,0,0]=4 12618 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 12619 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 12620 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 12621 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 12622 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 12623 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 12624 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,2,0,0,0,0|0,0,2]=4 12625 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,2,0,0,0,0|0,0,2]=4 12626 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,2,0,0,0,0|0,0,2]=4 12627 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,2,0,0,0,0|0,0,2]=4 12628 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,2,0,0,0,0|0,0,2]=4 12629 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,2,0,0,0,0|0,0,2]=4 12630 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,2,0,0,0,0|1,0,0]=3 12631 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,2,0,0,0,0|1,0,0]=3 12632 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|1,0,0]=3 12633 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|1,0,0]=3 12634 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|0,0,0]=2 12635 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|0,0,0]=2 12636 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,2,0,0,0,0|1,0,0]=3 12637 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,2,0,0,0,0|1,0,0]=3 12638 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,2,0,0,0,0|1,0,0]=3 12639 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,2,0,0,0,0|1,0,0]=3 12640 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,2,0,0,0,0|1,0,0]=3 12641 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,2,0,0,0,0|1,0,0]=3 12642 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,2,0,0,0,0|1,0,0]=3 12643 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,2,0,0,0,0|1,0,0]=3 12644 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|0,0,0]=2 12645 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|0,0,0]=2 12646 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,2,0,0,0,0|1,0,0]=3 12647 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,2,0,0,0,0|1,0,0]=3 12648 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,2,0,0,0,0|1,0,0]=3 12649 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,2,0,0,0,0|1,0,0]=3 12650 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|0,0,0]=2 12651 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,2,0,0,0,0|0,0,0]=2 12652 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,2,0,0,0,0|0,0,0]=2 12653 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,2,0,0,0,0|1,0,1]=4 12654 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,2,0,0,0,0|1,0,1]=4 12655 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|0,0,0]=2 12656 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|0,0,0]=2 12657 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,2,0,0,0,0|0,0,2]=4 12658 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,2,0,0,0,0|0,0,2]=4 12659 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|0,0,2]=4 12660 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,2,0,0,0,0|1,0,0]=3 12661 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,2,0,0,0,0|1,0,0]=3 12662 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,2,0,0,0,0|1,0,0]=3 12663 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|0,0,0]=2 12664 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|0,0,0]=2 12665 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|0,0,0]=2 12666 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,0]=2 12667 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,2,0,0,0,0|1,0,0]=3 12668 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|0,0,0]=2 12669 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,2,0,0,0,0|0,0,0]=2 12670 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,0]=3 12671 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|0,0,0]=2 12672 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,0]=2 12673 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,0]=2 12674 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|0,0,2]=4 12675 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|0,0,2]=4 12676 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 12677 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|0,0,2]=4 12678 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 12679 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 12680 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 12681 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,2,0,0,0,0|1,0,0]=3 12682 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,2,0,0,0,0|1,0,0]=3 12683 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,2,0,0,0,0|1,0,0]=3 12684 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|0,0,0]=2 12685 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,2,0,0,0,0|1,0,0]=3 12686 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|0,0,0]=2 12687 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|0,0,0]=2 12688 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,0]=2 12689 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,0]=2 12690 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,2,0,0,0,0|1,0,0]=3 12691 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,2,0,0,0,0|1,0,0]=3 12692 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,2,0,0,0,0|1,0,0]=3 12693 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|0,0,0]=2 12694 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|0,0,0]=2 12695 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|0,0,0]=2 12696 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|0,0,0]=2 12697 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,0]=2 12698 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,0]=2 12699 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,0]=3 12700 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|0,0,2]=4 12701 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|0,0,2]=4 12702 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,2,0,0,0,0|0,0,2]=4 12703 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,2,0,0,0,0|0,0,2]=4 12704 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|0,0,2]=4 12705 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|0,0,2]=4 12706 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,2,0,0,0,0|1,0,0]=3 12707 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,2,0,0,0,0|1,0,0]=3 12708 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|0,0,0]=2 12709 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|0,0,0]=2 12710 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,0]=2 12711 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,0]=2 12712 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,2,0,0,0,0|1,0,0]=3 12713 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,2,0,0,0,0|1,0,0]=3 12714 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|0,0,0]=2 12715 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|0,0,0]=2 12716 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|0,0,0]=2 12717 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|0,0,0]=2 12718 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,0]=2 12719 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,0]=2 12720 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|0,0,2]=4 12721 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|0,0,2]=4 12722 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|0,0,2]=4 12723 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|0,0,2]=4 12724 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,2,0,0,0,0|1,0,0]=3 12725 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|0,0,0]=2 12726 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|0,0,0]=2 12727 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,2,0,0,0,0|1,0,1]=4 12728 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,2,0,0,0,0|1,0,1]=4 12729 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|0,0,2]=4 12730 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|0,0,2]=4 12731 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|0,0,2]=4 12732 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|0,0,2]=4 12733 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|0,0,2]=4 12734 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,2,0,0,0,0|1,0,0]=3 12735 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,2,0,0,0,0|0,0,0]=2 12736 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|0,0,2]=4 12737 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|0,0,2]=4 12738 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|0,0,2]=4 12739 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|0,0,2]=4 12740 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|0,0,2]=4 12741 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|0,0,2]=4 12742 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|0,0,2]=4 12743 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|0,0,2]=4 12744 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|0,0,2]=4 12745 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|0,0,2]=4 12746 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,2,0,0,0,0|2,0,0]=4 12747 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,2,0,0,0,0|2,0,0]=4 12748 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|0,0,2]=4 12749 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|0,0,2]=4 12750 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|0,0,2]=4 12751 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|0,0,2]=4 12752 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,2,0,0,0,0|1,0,0]=3 12753 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,2,0,0,0,0|2,0,0]=4 12754 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,2,0,0,0,0|1,0,0]=3 12755 B11R0.40 CCCCOCCNC(C)C#N 2230a_100000737613_100000743108 [0,2,0,0,0,0|2,0,0]=4 12756 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,2,0,0,0,0|2,0,0]=4 12757 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,2,0,0,0,0|1,0,0]=3 12758 B11R0.40 CCCCOCCOC(C)C#N 34a_100011218135_100000743108 [0,2,0,0,0,0|2,0,0]=4 12759 B11R0.40 CCCCOCCOC(C)C#N 7a_100000210238_100000703298 [0,2,0,0,0,0|2,0,0]=4 12760 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,2,0,0,0,0|2,0,0]=4 12761 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,2,0,0,0,0|2,0,0]=4 12762 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,2,0,0,0,0|2,0,0]=4 12763 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 12764 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 12765 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,2,0,0,0,0|2,0,0]=4 12766 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 12767 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 12768 B11R0.40 CCCCOCCSC(C)C#N 62a_100000703298_100000743108 [0,2,0,0,0,0|2,0,0]=4 12769 B11R0.40 CCCCOCCSC(C)C#N 62a_100000743108_100000703298 [0,2,0,0,0,0|2,0,0]=4 12770 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,2,0,0,0,0|2,0,0]=4 12771 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,2,0,0,0,0|2,0,0]=4 12772 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,2,0,0,0,0|1,0,0]=3 12773 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [0,2,0,0,0,0|1,0,0]=3 12774 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [0,2,0,0,0,0|1,0,0]=3 12775 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,2,0,0,0,0|1,0,0]=3 12776 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,2,0,0,0,0|1,0,0]=3 12777 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,2,0,0,0,0|2,0,0]=4 12778 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,2,0,0,0,0|1,0,0]=3 12779 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,2,0,0,0,0|1,0,0]=3 12780 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [0,2,0,0,0,0|1,0,0]=3 12781 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,2,0,0,0,0|2,0,0]=4 12782 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,2,0,0,0,0|1,0,0]=3 12783 B11R0.40 CCCCOCOCC(C)CN 34a_100000744482_100011995733 [0,2,0,0,0,0|2,0,0]=4 12784 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [0,2,0,0,0,0|1,0,0]=3 12785 B11R0.40 CCCCOCOCC(Cl)CCl 34a_100000033668_100011995733 [0,2,0,0,0,0|2,0,0]=4 12786 B11R0.40 CCCCOCOC[C@H](F)CN 34a_100015665980_100011995733 [0,2,0,0,0,0|2,0,0]=4 12787 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,2,0,0,0,0|2,0,0]=4 12788 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,2,0,0,0,0|2,0,0]=4 12789 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,2,0,0,0,0|1,0,0]=3 12790 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,2,0,0,0,0|1,0,0]=3 12791 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,2,0,0,0,0|1,0,0]=3 12792 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,2,0,0,0,0|1,0,0]=3 12793 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,2,0,0,0,0|2,0,0]=4 12794 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,2,0,0,0,0|2,0,0]=4 12795 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,2,0,0,0,0|1,0,0]=3 12796 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,2,0,0,0,0|1,0,0]=3 12797 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,2,0,0,0,0|1,0,0]=3 12798 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,2,0,0,0,0|1,0,0]=3 12799 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,2,0,0,0,0|1,0,0]=3 12800 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,2,0,0,0,0|1,0,0]=3 12801 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|0,0,2]=4 12802 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|0,0,2]=4 12803 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|0,0,2]=4 12804 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|0,0,2]=4 12805 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,2,0,0,0,0|2,0,0]=4 12806 B11R0.40 CCCCSCCNC(C)C#N 2230a_100025743550_100000184139 [0,2,0,0,0,0|2,0,0]=4 12807 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,2,0,0,0,0|2,0,0]=4 12808 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,2,0,0,0,0|1,0,0]=3 12809 B11R0.40 CCCCSCCOC(C)C#N 7a_200000230436_100000703298 [0,2,0,0,0,0|2,0,0]=4 12810 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,2,0,0,0,0|2,0,0]=4 12811 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,2,0,0,0,0|2,0,0]=4 12812 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,2,0,0,0,0|1,0,0]=3 12813 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,2,0,0,0,0|1,0,0]=3 12814 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|0,0,2]=4 12815 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|0,0,2]=4 12816 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|0,0,2]=4 12817 B11R0.40 CCCOCCCNC(C)C#N 2230a_100011217757_100000184139 [0,2,0,0,0,0|2,0,0]=4 12818 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,2,0,0,0,0|2,0,0]=4 12819 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,2,0,0,0,0|2,0,0]=4 12820 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,2,0,0,0,0|1,0,0]=3 12821 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,2,0,0,0,0|1,0,0]=3 12822 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,2,0,0,0,0|2,0,0]=4 12823 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,2,0,0,0,0|2,0,0]=4 12824 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,2,0,0,0,0|2,0,0]=4 12825 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,2,0,0,0,0|2,0,0]=4 12826 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|1,0,0]=3 12827 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,2,0,0,0,0|1,0,0]=3 12828 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,2,0,0,0,0|1,0,0]=3 12829 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,2,0,0,0,0|1,0,0]=3 12830 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|1,0,0]=3 12831 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|1,0,0]=3 12832 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,2,0,0,0,0|2,0,0]=4 12833 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,2,0,0,0,0|2,0,0]=4 12834 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|1,0,0]=3 12835 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|1,0,0]=3 12836 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,2,0,0,0,0|1,0,0]=3 12837 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 12838 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,2,0,0,0,0|1,0,0]=3 12839 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,2,0,0,0,0|1,0,0]=3 12840 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|1,0,0]=3 12841 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|1,0,0]=3 12842 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|1,0,0]=3 12843 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 12844 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 12845 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,2,0,0,0,0|2,0,0]=4 12846 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,2,0,0,0,0|1,0,0]=3 12847 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,2,0,0,0,0|2,0,0]=4 12848 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,2,0,0,0,0|1,0,0]=3 12849 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,2,0,0,0,0|1,0,0]=3 12850 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 12851 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 12852 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 12853 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 12854 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,2,0,0,0,0|2,0,0]=4 12855 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 12856 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 12857 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 12858 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 12859 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 12860 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 12861 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 12862 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,2,0,0,0,0|2,0,0]=4 12863 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,2,0,0,0,0|2,0,0]=4 12864 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,2,0,0,0,0|1,0,0]=3 12865 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,2,0,0,0,0|1,0,0]=3 12866 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|1,0,0]=3 12867 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|1,0,0]=3 12868 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,2,0,0,0,0|2,0,0]=4 12869 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,2,0,0,0,0|2,0,0]=4 12870 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,0,0]=3 12871 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,0,0]=3 12872 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,2,0,0,0,0|1,0,0]=3 12873 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,2,0,0,0,0|1,0,0]=3 12874 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|1,0,0]=3 12875 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|1,0,0]=3 12876 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|0,0,2]=4 12877 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|0,0,2]=4 12878 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,2,0,0,0,0|2,0,0]=4 12879 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,2,0,0,0,0|2,0,0]=4 12880 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,2,0,0,0,0|1,0,0]=3 12881 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,2,0,0,0,0|1,0,0]=3 12882 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,2,0,0,0,0|2,0,0]=4 12883 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,2,0,0,0,0|1,0,0]=3 12884 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,2,0,0,0,0|1,0,0]=3 12885 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,2,0,0,0,0|1,0,0]=3 12886 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,2,0,0,0,0|2,0,0]=4 12887 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,2,0,0,0,0|2,0,0]=4 12888 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,2,0,0,0,0|1,0,0]=3 12889 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,2,0,0,0,0|1,0,0]=3 12890 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|1,0,0]=3 12891 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|1,0,0]=3 12892 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,2,0,0,0,0|2,0,0]=4 12893 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,2,0,0,0,0|2,0,0]=4 12894 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 12895 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 12896 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,2,0,0,0,0|1,0,0]=3 12897 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,2,0,0,0,0|1,0,0]=3 12898 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|1,0,0]=3 12899 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|1,0,0]=3 12900 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|2,0,0]=4 12901 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|2,0,0]=4 12902 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 12903 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 12904 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|0,0,2]=4 12905 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|0,0,2]=4 12906 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|0,0,2]=4 12907 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|0,0,2]=4 12908 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,2,0,0,0,0|1,0,0]=3 12909 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,2,0,0,0,0|2,0,0]=4 12910 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,2,0,0,0,0|2,0,0]=4 12911 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,2,0,0,0,0|2,0,0]=4 12912 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,2,0,0,0,0|2,0,0]=4 12913 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,2,0,0,0,0|1,0,0]=3 12914 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,2,0,0,0,0|1,0,0]=3 12915 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,2,0,0,0,0|1,0,0]=3 12916 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,2,0,0,0,0|1,0,0]=3 12917 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,2,0,0,0,0|1,0,0]=3 12918 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,2,0,0,0,0|1,0,0]=3 12919 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,2,0,0,0,0|2,0,0]=4 12920 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,2,0,0,0,0|2,0,0]=4 12921 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,2,0,0,0,0|1,0,0]=3 12922 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,2,0,0,0,0|1,0,0]=3 12923 B11R0.40 CCOCCCNC[C@@H](C)OC 2230a_100020591295_100012232248 [0,2,0,0,0,0|1,0,0]=3 12924 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,2,0,0,0,0|2,0,0]=4 12925 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,2,0,0,0,0|1,0,0]=3 12926 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,2,0,0,0,0|1,0,0]=3 12927 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,2,0,0,0,0|1,0,0]=3 12928 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,2,0,0,0,0|1,0,0]=3 12929 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,2,0,0,0,0|1,0,0]=3 12930 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,2,0,0,0,0|2,0,0]=4 12931 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,2,0,0,0,0|2,0,0]=4 12932 B11R0.40 CCOCCCOCC(C)CN 34a_100000744482_100012232248 [0,2,0,0,0,0|2,0,0]=4 12933 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [0,2,0,0,0,0|1,0,0]=3 12934 B11R0.40 CCOCCCOCC(Cl)CCl 34a_100000033668_100012232248 [0,2,0,0,0,0|2,0,0]=4 12935 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,2,0,0,0,0|1,0,0]=3 12936 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,2,0,0,0,0|1,0,0]=3 12937 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,2,0,0,0,0|1,0,0]=3 12938 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,2,0,0,0,0|1,0,0]=3 12939 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,2,0,0,0,0|2,0,0]=4 12940 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,2,0,0,0,0|2,0,0]=4 12941 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,2,0,0,0,0|2,0,0]=4 12942 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 12943 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 12944 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,2,0,0,0,0|1,0,0]=3 12945 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,2,0,0,0,0|1,0,0]=3 12946 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,2,0,0,0,0|1,0,0]=3 12947 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,2,0,0,0,0|1,0,0]=3 12948 B11R0.40 CCOCCCOC[C@H](F)CN 34a_100015665980_100012232248 [0,2,0,0,0,0|2,0,0]=4 12949 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,2,0,0,0,0|2,0,0]=4 12950 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,2,0,0,0,0|2,0,0]=4 12951 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,2,0,0,0,0|1,0,0]=3 12952 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,2,0,0,0,0|1,0,0]=3 12953 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,2,0,0,0,0|1,0,0]=3 12954 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,2,0,0,0,0|1,0,0]=3 12955 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,2,0,0,0,0|2,0,0]=4 12956 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,2,0,0,0,0|2,0,0]=4 12957 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,2,0,0,0,0|1,0,0]=3 12958 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,2,0,0,0,0|1,0,0]=3 12959 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,2,0,0,0,0|1,0,0]=3 12960 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,2,0,0,0,0|1,0,0]=3 12961 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,2,0,0,0,0|1,0,0]=3 12962 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,2,0,0,0,0|1,0,0]=3 12963 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,2,0,0,0,0|2,0,0]=4 12964 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,2,0,0,0,0|1,0,0]=3 12965 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,2,0,0,0,0|1,0,0]=3 12966 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,2,0,0,0,0|2,0,0]=4 12967 B11R0.40 CCOCCOCCC(C)OC 7a_100000764861_100011215890 [0,2,0,0,0,0|1,0,0]=3 12968 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|0,0,2]=4 12969 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|0,0,2]=4 12970 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,2,0,0,0,0|2,0,0]=4 12971 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,2,0,0,0,0|2,0,0]=4 12972 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,2,0,0,0,0|1,0,0]=3 12973 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,2,0,0,0,0|1,0,0]=3 12974 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,2,0,0,0,0|1,0,0]=3 12975 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,2,0,0,0,0|1,0,0]=3 12976 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,2,0,0,0,0|2,0,0]=4 12977 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,2,0,0,0,0|2,0,0]=4 12978 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 12979 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 12980 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,2,0,0,0,0|1,0,0]=3 12981 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,2,0,0,0,0|1,0,0]=3 12982 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,2,0,0,0,0|1,0,0]=3 12983 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,2,0,0,0,0|1,0,0]=3 12984 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,2,0,0,0,0|2,0,0]=4 12985 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 12986 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 12987 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,2,0,0,0,0|2,0,0]=4 12988 B11R0.40 CCSCCOCCC(C)OC 7a_100000764861_100000757381 [0,2,0,0,0,0|1,0,0]=3 12989 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|2,0,0]=4 12990 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|2,0,0]=4 12991 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,2,0,0,0,0|2,0,0]=4 12992 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,2,0,0,0,0|2,0,0]=4 12993 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,2,0,0,0,0|2,0,0]=4 12994 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,2,0,0,0,0|2,0,0]=4 12995 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,2,0,0,0,0|2,0,0]=4 12996 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,2,0,0,0,0|2,0,0]=4 12997 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,2,0,0,0,0|2,0,0]=4 12998 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,2,0,0,0,0|2,0,0]=4 12999 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|2,0,0]=4 13000 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,2,0,0,0,0|2,0,0]=4 13001 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,2,0,0,0,0|2,0,0]=4 13002 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,2,0,0,0,0|2,0,0]=4 13003 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,2,0,0,0,0|2,0,0]=4 13004 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,2,0,0,0,0|2,0,0]=4 13005 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,2,0,0,0,0|2,0,0]=4 13006 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|2,0,0]=4 13007 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|2,0,0]=4 13008 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,2,0,0,0,0|2,0,0]=4 13009 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,2,0,0,0,0|2,0,0]=4 13010 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|0,0,2]=4 13011 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|0,0,2]=4 13012 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|0,0,2]=4 13013 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|0,0,2]=4 13014 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,2,0,0,0,0|1,0,0]=3 13015 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [0,2,0,0,0,0|2,0,0]=4 13016 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|0,0,2]=4 13017 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|0,0,2]=4 13018 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|0,0,2]=4 13019 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|0,0,2]=4 13020 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|0,0,2]=4 13021 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|0,0,2]=4 13022 B11R0.40 COC(C)CCOCCCC#N 7a_100000764861_100000687738 [0,2,0,0,0,0|1,0,1]=4 13023 B11R0.40 COC(C)CCOCCCC=O 7a_100000764861_200011292268 [0,2,0,0,0,0|1,0,1]=4 13024 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,2,0,0,0,0|1,0,0]=3 13025 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,2,0,0,0,0|1,0,0]=3 13026 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,2,0,0,0,0|1,0,0]=3 13027 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,2,0,0,0,0|1,0,0]=3 13028 B11R0.40 COC(C)COCCOCCO 34a_100000690652_100000692535 [0,2,0,0,0,0|2,0,0]=4 13029 B11R0.40 COC(C)SCCCCCC#N 62a_100009813376_100009879195 [0,2,0,0,0,0|1,0,1]=4 13030 B11R0.40 COC(C)SCCCCCC#N 62a_100009879195_100009813376 [0,2,0,0,0,0|1,0,1]=4 13031 B11R0.40 COC(C)SCCCCCC=O 62a_100000139337_100009879195 [0,2,0,0,0,0|1,0,1]=4 13032 B11R0.40 COC(C)SCCCCCC=O 62a_100009879195_100000139337 [0,2,0,0,0,0|1,0,1]=4 13033 B11R0.40 COC(C)SCCCCCCF 62a_100009879195_100015922095 [0,2,0,0,0,0|1,0,0]=3 13034 B11R0.40 COC(C)SCCCCCCF 62a_100015922095_100009879195 [0,2,0,0,0,0|1,0,0]=3 13035 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,2,0,0,0,0|1,0,0]=3 13036 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,2,0,0,0,0|1,0,0]=3 13037 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|0,0,2]=4 13038 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|0,0,2]=4 13039 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|0,0,2]=4 13040 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|0,0,2]=4 13041 B11R0.40 COCCCCCNC(C)C#N 2230a_100000747528_100000184139 [0,2,0,0,0,0|2,0,0]=4 13042 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,2,0,0,0,0|1,0,0]=3 13043 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,2,0,0,0,0|1,0,0]=3 13044 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,2,0,0,0,0|1,0,0]=3 13045 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [0,2,0,0,0,0|1,0,0]=3 13046 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,2,0,0,0,0|2,0,0]=4 13047 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,2,0,0,0,0|1,0,0]=3 13048 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [0,2,0,0,0,0|2,0,0]=4 13049 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [0,2,0,0,0,0|1,0,0]=3 13050 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [0,2,0,0,0,0|2,0,0]=4 13051 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,2,0,0,0,0|1,0,0]=3 13052 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,2,0,0,0,0|1,0,0]=3 13053 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,2,0,0,0,0|1,0,0]=3 13054 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,2,0,0,0,0|1,0,0]=3 13055 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [0,2,0,0,0,0|2,0,0]=4 13056 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,2,0,0,0,0|1,0,0]=3 13057 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,2,0,0,0,0|1,0,0]=3 13058 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,2,0,0,0,0|1,0,0]=3 13059 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,2,0,0,0,0|1,0,0]=3 13060 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,2,0,0,0,0|1,0,0]=3 13061 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,2,0,0,0,0|1,0,0]=3 13062 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,2,0,0,0,0|1,0,0]=3 13063 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,2,0,0,0,0|1,0,0]=3 13064 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 13065 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 13066 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [0,2,0,0,0,0|1,0,0]=3 13067 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 13068 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 13069 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 13070 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [0,2,0,0,0,0|2,0,0]=4 13071 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 13072 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 13073 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [0,2,0,0,0,0|2,0,0]=4 13074 B11R0.40 COCCOCCSC(C)OC 62a_100000695917_100009879195 [0,2,0,0,0,0|2,0,0]=4 13075 B11R0.40 COCCOCCSC(C)OC 62a_100009879195_100000695917 [0,2,0,0,0,0|2,0,0]=4 13076 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [0,2,0,0,0,0|2,0,0]=4 13077 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [0,2,0,0,0,0|2,0,0]=4 13078 B11R0.40 COCCOCNC[C@@H](C)OC 2230a_100020591295_100000231047 [0,2,0,0,0,0|2,0,0]=4 13079 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,2,0,0,0,0|2,0,0]=4 13080 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,2,0,0,0,0|2,0,0]=4 13081 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,2,0,0,0,0|2,0,0]=4 13082 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [0,2,0,0,0,0|2,0,0]=4 13083 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [0,2,0,0,0,0|2,0,0]=4 13084 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100000231047_100015614560 [0,2,0,0,0,0|2,0,0]=4 13085 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100015614560_100000231047 [0,2,0,0,0,0|2,0,0]=4 13086 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,2,0,0,0,0|2,0,0]=4 13087 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,2,0,0,0,0|2,0,0]=4 13088 B11R0.40 CO[C@H](C)CNCCCCC#N 2230a_100020591295_100000211819 [0,2,0,0,0,0|1,0,1]=4 13089 B11R0.40 CO[C@H](C)CNCCCCC=O 2230a_100020591295_100000139335 [0,2,0,0,0,0|1,0,1]=4 13090 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,2,0,0,0,0|1,0,0]=3 13091 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,2,0,0,0,0|1,0,0]=3 13092 B11R0.40 CO[C@H](C)CNCCOCCO 2230a_100020591295_100011215305 [0,2,0,0,0,0|2,0,0]=4 13093 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,2,0,0,0,0|1,0,0]=3 13094 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,2,0,0,0,0|1,0,0]=3 13095 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 13096 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 13097 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,2,0,0,0,0|1,0,0]=3 13098 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,2,0,0,0,0|1,0,0]=3 13099 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,2,0,0,0,0|1,0,0]=3 13100 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,2,0,0,0,0|1,0,0]=3 13101 B11R0.40 CSCCOCCC[C@@H](C)CN 34a_100160569302_100000212216 [0,2,0,0,0,0|2,0,0]=4 13102 B11R0.40 C[C@@H](CN)CCCOCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|2,0,0]=4 13103 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 13104 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 13105 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 13106 B11R0.40 C[C@@H](CO)CNCCOCCO 2230a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 13107 B11R0.40 C[C@@H](CO)CNCCOCCO 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 13108 B11R0.40 C[C@@H](CO)CNCCSCCO 2230a_100011219999_100000059175 [0,2,0,0,0,0|2,0,0]=4 13109 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 13110 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 13111 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 13112 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 13113 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 13114 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 13115 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 13116 B11R0.40 C[C@@H](CO)COCCOCCBr 34a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 13117 B11R0.40 C[C@@H](CO)COCCOCCBr 7a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 13118 B11R0.40 C[C@@H](CO)COCCOCCCl 34a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 13119 B11R0.40 C[C@@H](CO)COCCOCCCl 7a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 13120 B11R0.40 C[C@@H](CO)COCCOCCF 34a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 13121 B11R0.40 C[C@@H](CO)COCCOCCF 7a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 13122 B11R0.40 C[C@@H](CO)COCCOCCI 34a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 13123 B11R0.40 C[C@@H](CO)COCCOCCI 7a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 13124 B11R0.40 C[C@@H](CO)COCCOCCN 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 13125 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100000059175_100000211819 [0,2,0,0,0,0|1,0,1]=4 13126 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100011219923_100000059175 [0,2,0,0,0,0|1,0,1]=4 13127 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,2,0,0,0,0|1,0,1]=4 13128 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,2,0,0,0,0|1,0,1]=4 13129 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,2,0,0,0,0|1,0,0]=3 13130 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,2,0,0,0,0|1,0,0]=3 13131 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,0,0]=3 13132 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 13133 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100000059175_100011215305 [0,2,0,0,0,0|2,0,0]=4 13134 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 13135 B11R0.40 C[C@H](CO)NCCCCCC#N 2230a_100000737577_100009813376 [0,2,0,0,0,0|1,0,1]=4 13136 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,2,0,0,0,0|1,0,1]=4 13137 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [0,2,0,0,0,0|1,0,0]=3 13138 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,2,0,0,0,0|1,0,0]=3 13139 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100009813376_100016084084 [0,2,0,0,0,0|1,0,1]=4 13140 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100016084084_100009813376 [0,2,0,0,0,0|1,0,1]=4 13141 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,2,0,0,0,0|1,0,1]=4 13142 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,2,0,0,0,0|1,0,1]=4 13143 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [0,2,0,0,0,0|1,0,0]=3 13144 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [0,2,0,0,0,0|1,0,0]=3 13145 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,2,0,0,0,0|1,0,0]=3 13146 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,2,0,0,0,0|1,0,0]=3 13147 B11R0.40 FCCCCCOCC(Cl)CCl 34a_100000033668_100000729378 [0,2,0,0,0,0|2,0,0]=4 13148 B11R0.40 N#CCCCCNC[C@H](O)CO 2230a_100020644852_100000211819 [0,2,0,0,0,0|1,0,1]=4 13149 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219619_100000211819 [0,2,0,0,0,0|1,0,1]=4 13150 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219923_100011219619 [0,2,0,0,0,0|1,0,1]=4 13151 B11R0.40 N#CCCCCSC[C@@H](O)CF 62a_100011219923_100015614560 [0,2,0,0,0,0|1,0,1]=4 13152 B11R0.40 N#CCCCCSC[C@@H](O)CF 62a_100015614560_100000211819 [0,2,0,0,0,0|1,0,1]=4 13153 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100009815848_100000211819 [0,2,0,0,0,0|1,0,1]=4 13154 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100011219923_100009815848 [0,2,0,0,0,0|1,0,1]=4 13155 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 13156 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 13157 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 13158 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 13159 B11R0.40 NCCOCCOC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 13160 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 13161 B11R0.40 NC[C@@H](F)COCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|2,0,0]=4 13162 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,2,0,0,0,0|2,0,0]=4 13163 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|0,0,2]=4 13164 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|0,0,2]=4 13165 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,2,0,0,0,0|1,0,1]=4 13166 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,2,0,0,0,0|1,0,1]=4 13167 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,2,0,0,0,0|1,0,1]=4 13168 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,2,0,0,0,0|1,0,1]=4 13169 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,2,0,0,0,0|1,0,1]=4 13170 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,2,0,0,0,0|1,0,1]=4 13171 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,2,0,0,0,0|1,0,1]=4 13172 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,2,0,0,0,0|1,0,0]=3 13173 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,2,0,0,0,0|1,0,0]=3 13174 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 13175 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 13176 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,2,0,0,0,0|1,0,0]=3 13177 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,2,0,0,0,0|1,0,0]=3 13178 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 13181 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 13182 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,2,0,0,0,0|2,0,0]=4 13183 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,2,0,0,0,0|2,0,0]=4 13184 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,2,0,0,0,0|2,0,0]=4 13185 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,2,0,0,0,0|2,0,0]=4 13186 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,2,0,0,0,0|1,0,0]=3 13187 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,2,0,0,0,0|1,0,0]=3 13188 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 13189 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 13190 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|2,0,0]=4 13191 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 13192 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 13193 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 13194 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 13195 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|1,0,0]=3 13196 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,2,0,0,0,0|2,0,0]=4 13197 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 13198 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|1,0,0]=3 13199 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 13200 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,2,0,0,0,0|1,0,0]=3 13201 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 13202 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|1,0,0]=3 13203 B11R0.40 OCCOCCNCC(O)CO 2230a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 13204 B11R0.40 OCCOCCNCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 13205 B11R0.40 OCCOCCNC[C@@H](O)CF 2230a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 13206 B11R0.40 OCCOCCNC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 13207 B11R0.40 OCCOCCNC[C@@H](O)CO 2230a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 13208 B11R0.40 OCCOCCNC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 13209 B11R0.40 OCCOCCNC[C@H](O)CO 2230a_100020644852_100011215305 [0,2,0,0,0,0|2,0,0]=4 13210 B11R0.40 OCCOCCSCC(O)CO 62a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 13211 B11R0.40 OCCOCCSCC(O)CO 62a_100011219619_100011215305 [0,2,0,0,0,0|2,0,0]=4 13212 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100015614560_100011215305 [0,2,0,0,0,0|2,0,0]=4 13214 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100009815848_100011215305 [0,2,0,0,0,0|2,0,0]=4 13215 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 13216 B11R0.40 OCCSCCNCC(O)CO 2230a_100011219999_100011219619 [0,2,0,0,0,0|2,0,0]=4 13217 B11R0.40 OCCSCCNC[C@@H](O)CF 2230a_100011219999_100015614560 [0,2,0,0,0,0|2,0,0]=4 13218 B11R0.40 OCCSCCNC[C@@H](O)CO 2230a_100011219999_100009815848 [0,2,0,0,0,0|2,0,0]=4 13219 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,2,0,0,0,0|1,0,0]=3 13220 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,2,0,0,0,0|1,0,0]=3 13222 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,2,0,0,0,0|1,0,0]=3 13223 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 13224 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 13225 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,2,0,0,0,0|1,0,0]=3 13226 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,2,0,0,0,0|1,0,0]=3 13227 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,2,0,0,0,0|2,0,0]=4 13228 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,2,0,0,0,0|2,0,0]=4 13229 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 13230 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 13231 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,2,0,0,0,0|2,0,0]=4 13232 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,2,0,0,0,0|2,0,0]=4 13233 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,2,0,0,0,0|2,0,0]=4 13234 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,2,0,0,0,0|2,0,0]=4 13235 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,2,0,0,0,0|1,0,0]=3 13236 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,2,0,0,0,0|1,0,0]=3 13237 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,2,0,0,0,0|1,0,0]=3 13238 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,2,0,0,0,0|1,0,0]=3 13239 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 13240 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 13241 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,2,0,0,0,0|1,0,0]=3 13242 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,2,0,0,0,0|1,0,0]=3 13243 B11R0.40 O[C@@H](CF)COCCOCCBr 34a_100000692535_100015614560 [0,2,0,0,0,0|2,0,0]=4 13244 B11R0.40 O[C@@H](CF)COCCOCCBr 7a_100000692535_100015614560 [0,2,0,0,0,0|2,0,0]=4 13245 B11R0.40 O[C@@H](CF)COCCOCCCl 34a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 13246 B11R0.40 O[C@@H](CF)COCCOCCCl 7a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 13247 B11R0.40 O[C@@H](CF)COCCOCCF 34a_200015357709_100015614560 [0,2,0,0,0,0|2,0,0]=4 13248 B11R0.40 O[C@@H](CF)COCCOCCF 7a_200015357709_100015614560 [0,2,0,0,0,0|2,0,0]=4 13249 B11R0.40 O[C@@H](CF)COCCOCCI 34a_100012149058_100015614560 [0,2,0,0,0,0|2,0,0]=4 13250 B11R0.40 O[C@@H](CF)COCCOCCI 7a_100012149058_100015614560 [0,2,0,0,0,0|2,0,0]=4 13251 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,2,0,0,0,0|1,0,0]=3 13252 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,2,0,0,0,0|1,0,0]=3 13253 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,2,0,0,0,0|0,0,2]=4 13254 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,2,0,0,0,0|0,0,2]=4 13255 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,2,0,0,0,0|0,0,2]=4 13256 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,2,0,0,0,0|1,0,1]=4 13257 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|0,0,2]=4 13258 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|0,0,2]=4 13259 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|1,0,1]=4 13260 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|1,0,1]=4 13261 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|1,0,1]=4 13262 B11R0.42 CC(C)C(C)NCCCCCF 2230a_100000211541_100000729378 [0,2,0,0,0,0|2,0,0]=4 13263 B11R0.42 CC(C)C(C)NCCCCCO 2230a_100000211541_100000746330 [0,2,0,0,0,0|2,0,0]=4 13264 B11R0.42 CC(C)C(C)OCCCCCF 7a_100000748068_100000729378 [0,2,0,0,0,0|2,0,0]=4 13265 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [0,2,0,0,0,0|2,0,0]=4 13266 B11R0.42 CC(C)C(N)CCOCCCF 34a_100161115045_100011934791 [0,2,0,0,0,0|2,0,0]=4 13267 B11R0.42 CC(C)C(N)CCOCCCO 34a_100161115045_100000230001 [0,2,0,0,0,0|2,0,0]=4 13268 B11R0.42 CC(C)C(O)CNCCCCF 2230a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 13269 B11R0.42 CC(C)C(O)CNCCCCF 34a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 13270 B11R0.42 CC(C)C(O)CNCCCCO 2230a_100000759067_100000210776 [0,2,0,0,0,0|2,0,0]=4 13271 B11R0.42 CC(C)C(O)CNCCCCO 34a_100000759067_100011216708 [0,2,0,0,0,0|2,0,0]=4 13272 B11R0.42 CC(C)N(C)CCCCCCF 269982a_200000211004_100015922095 [0,2,0,0,0,0|2,0,0]=4 13273 B11R0.42 CC(C)N(C)CCCCCCO 269982a_200000211004_100000766143 [0,2,0,0,0,0|2,0,0]=4 13274 B11R0.42 CC(C)[C@@H](N)COCCCCF 34a_100011830312_100000729493 [0,2,0,0,0,0|2,0,0]=4 13275 B11R0.42 CC(C)[C@@H](N)COCCCCO 34a_100011830312_100011216708 [0,2,0,0,0,0|2,0,0]=4 13276 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|2,0,0]=4 13277 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|2,0,0]=4 13278 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|1,0,1]=4 13279 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|1,0,1]=4 13280 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|1,0,0]=3 13281 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|1,0,0]=3 13282 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|1,0,0]=3 13283 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|1,0,0]=3 13284 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 13285 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 13286 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 13287 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 13288 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,0]=2 13289 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,0]=2 13290 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|0,0,1]=3 13291 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,2,0,0,0,0|1,0,0]=3 13292 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,2,0,0,0,0|1,0,0]=3 13293 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,2,0,0,0,0|1,0,0]=3 13294 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,2,0,0,0,0|0,0,2]=4 13295 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,2,0,0,0,0|0,0,2]=4 13296 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,2,0,0,0,0|0,0,2]=4 13297 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,2,0,0,0,0|0,0,2]=4 13298 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,2,0,0,0,0|1,0,0]=3 13299 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,2,0,0,0,0|1,0,0]=3 13300 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,2,0,0,0,0|1,0,0]=3 13301 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,2,0,0,0,0|1,0,1]=4 13302 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,2,0,0,0,0|1,0,1]=4 13303 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,2,0,0,0,0|1,0,1]=4 13304 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,2,0,0,0,0|1,0,1]=4 13305 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,2,0,0,0,0|1,0,1]=4 13306 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,2,0,0,0,0|1,0,1]=4 13307 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,2,0,0,0,0|1,0,1]=4 13308 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,2,0,0,0,0|1,0,1]=4 13309 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|1,0,1]=4 13310 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|0,0,1]=3 13311 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|0,0,1]=3 13312 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|0,0,1]=3 13313 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,2,0,0,0,0|0,0,2]=4 13314 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,2,0,0,0,0|1,0,1]=4 13315 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,2,0,0,0,0|1,0,0]=3 13316 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|1,0,0]=3 13317 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,2,0,0,0,0|1,0,1]=4 13318 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,2,0,0,0,0|1,0,1]=4 13319 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|0,0,2]=4 13320 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|0,0,2]=4 13321 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,2,0,0,0,0|1,0,1]=4 13322 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,2,0,0,0,0|1,0,1]=4 13323 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,2,0,0,0,0|1,0,0]=3 13324 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,2,0,0,0,0|1,0,1]=4 13325 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,2,0,0,0,0|1,0,1]=4 13326 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,2,0,0,0,0|1,0,1]=4 13327 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,2,0,0,0,0|0,0,2]=4 13328 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,2,0,0,0,0|0,0,2]=4 13329 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,2,0,0,0,0|1,0,1]=4 13330 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,2,0,0,0,0|1,0,1]=4 13331 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,2,0,0,0,0|1,0,1]=4 13332 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|1,0,0]=3 13333 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|1,0,1]=4 13334 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,2,0,0,0,0|1,0,0]=3 13335 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,2,0,0,0,0|1,0,0]=3 13336 B11R0.42 CCCCCNN=C(C)C(C)O 4a_100000694160_100000212229 [0,2,0,0,0,0|1,0,1]=4 13337 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,2,0,0,0,0|1,0,1]=4 13338 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,2,0,0,0,0|1,0,1]=4 13339 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,2,0,0,0,0|1,0,1]=4 13340 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,2,0,0,0,0|1,0,1]=4 13341 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|0,0,2]=4 13342 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|0,0,2]=4 13343 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000718602 [0,2,0,0,0,0|1,0,1]=4 13344 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210326 [0,2,0,0,0,0|1,0,1]=4 13345 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|1,0,0]=3 13346 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,2,0,0,0,0|1,0,1]=4 13347 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,2,0,0,0,0|1,0,1]=4 13348 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,2,0,0,0,0|1,0,1]=4 13349 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,2,0,0,0,0|1,0,1]=4 13350 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|1,0,1]=4 13351 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|0,0,1]=3 13352 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|0,0,1]=3 13353 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,2,0,0,0,0|1,0,0]=3 13354 B11R0.42 CCCCOCCN(C)C(C)C 269982a_200000211004_100000743108 [0,2,0,0,0,0|2,0,0]=4 13355 B11R0.42 CCCCOCNC(C)C(C)C 2230a_100000211541_100011995733 [0,2,0,0,0,0|2,0,0]=4 13356 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|2,0,0]=4 13357 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,2,0,0,0,0|1,0,1]=4 13358 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,2,0,0,0,0|1,0,1]=4 13359 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,2,0,0,0,0|1,0,1]=4 13360 B11R0.42 CCCOCCNC(C)C(C)C 2230a_100000211541_100011215938 [0,2,0,0,0,0|2,0,0]=4 13361 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|2,0,0]=4 13362 B11R0.42 CCCOCCOC(C)C(C)C 7a_100000748068_100011215938 [0,2,0,0,0,0|2,0,0]=4 13363 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,2,0,0,0,0|1,0,1]=4 13364 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,2,0,0,0,0|1,0,1]=4 13365 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,2,0,0,0,0|1,0,1]=4 13366 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,2,0,0,0,0|1,0,1]=4 13367 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,2,0,0,0,0|1,0,1]=4 13368 B11R0.42 CCOCCCNC(C)C(C)C 2230a_100000211541_100012232248 [0,2,0,0,0,0|2,0,0]=4 13369 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|2,0,0]=4 13370 B11R0.42 CCOCCCOC(C)C(C)C 7a_100000748068_100012232248 [0,2,0,0,0,0|2,0,0]=4 13371 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|2,0,0]=4 13372 B11R0.42 CCOCCNCC(O)C(C)C 2230a_100000759067_100011215890 [0,2,0,0,0,0|2,0,0]=4 13373 B11R0.42 CCOCCNCC(O)C(C)C 34a_100000759067_100000210147 [0,2,0,0,0,0|2,0,0]=4 13374 B11R0.42 CCOCCOC[C@H](N)C(C)C 34a_100011830312_100000210147 [0,2,0,0,0,0|2,0,0]=4 13375 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|2,0,0]=4 13376 B11R0.42 CCSCCNCC(O)C(C)C 2230a_100000759067_100000757381 [0,2,0,0,0,0|2,0,0]=4 13377 B11R0.42 CCSCCNCC(O)C(C)C 34a_100000759067_100000757381 [0,2,0,0,0,0|2,0,0]=4 13378 B11R0.42 CCSCCOC[C@H](N)C(C)C 34a_100011830312_100000757381 [0,2,0,0,0,0|2,0,0]=4 13379 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,2,0,0,0,0|1,0,1]=4 13380 B11R0.42 COCCCCNC(C)C(C)C 2230a_100000211541_100000730899 [0,2,0,0,0,0|2,0,0]=4 13381 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|2,0,0]=4 13382 B11R0.42 COCCCCOC(C)C(C)C 7a_100000748068_100000730899 [0,2,0,0,0,0|2,0,0]=4 13383 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|2,0,0]=4 13384 B11R0.42 COCCCNCC(O)C(C)C 2230a_100000759067_100000740836 [0,2,0,0,0,0|2,0,0]=4 13385 B11R0.42 COCCCNCC(O)C(C)C 34a_100000759067_100000740836 [0,2,0,0,0,0|2,0,0]=4 13386 B11R0.42 COCCCOC[C@H](N)C(C)C 34a_100011830312_100000740836 [0,2,0,0,0,0|2,0,0]=4 13387 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,2,0,0,0,0|1,0,1]=4 13388 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,2,0,0,0,0|1,0,1]=4 13389 B11R0.42 COCCOCCC(N)C(C)C 34a_100161115045_100011201679 [0,2,0,0,0,0|2,0,0]=4 13390 B11R0.42 CSCCOCCC(N)C(C)C 34a_100161115045_100000212216 [0,2,0,0,0,0|2,0,0]=4 13391 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,2,0,0,0,0|0,0,2]=4 13392 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|0,0,1]=3 13393 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|0,0,1]=3 13394 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,2,0,0,0,0|1,0,1]=4 13395 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|2,0,0]=4 13396 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|2,0,0]=4 13397 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,2,0,0,0,0|0,0,2]=4 13398 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|0,0,1]=3 13399 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|0,0,1]=3 13400 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,2,0,0,0,0|1,0,1]=4 13401 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|1,0,1]=4 13402 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|1,0,1]=4 13403 B11R0.46 C#CCCCC(=O)CCC(C)O 1458a_100000690238_100012276601 [0,2,0,0,0,0|0,0,2]=4 13404 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,2,0,0,0,0|1,0,1]=4 13405 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,2,0,0,0,0|1,0,1]=4 13406 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,2,0,0,0,0|1,0,1]=4 13407 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,2,0,0,0,0|1,0,1]=4 13408 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,2,0,0,0,0|1,0,1]=4 13409 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,2,0,0,0,0|1,0,1]=4 13410 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,2,0,0,0,0|1,0,1]=4 13411 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,2,0,0,0,0|1,0,1]=4 13412 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,2,0,0,0,0|1,0,1]=4 13413 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,2,0,0,0,0|1,0,1]=4 13414 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,2,0,0,0,0|1,0,1]=4 13415 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [0,2,0,0,0,0|0,0,2]=4 13416 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,2,0,0,0,0|1,0,1]=4 13417 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,2,0,0,0,0|1,0,1]=4 13418 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,2,0,0,0,0|1,0,1]=4 13419 B11R0.46 CC(C)CCC(C)NCCCF 2230a_100015189416_100011261404 [0,2,0,0,0,0|2,0,0]=4 13420 B11R0.46 CC(C)CCC(C)NCCCF 2230a_100138410893_100011934791 [0,2,0,0,0,0|2,0,0]=4 13421 B11R0.46 CC(C)CCC(C)NCCCF 270004a_100015189416_100000210476 [0,2,0,0,0,0|2,0,0]=4 13422 B11R0.46 CC(C)CCC(C)NCCCF 34a_100015189416_100011261404 [0,2,0,0,0,0|2,0,0]=4 13423 B11R0.46 CC(C)CCC(C)NCCCO 2230a_100138410893_100000230001 [0,2,0,0,0,0|2,0,0]=4 13424 B11R0.46 CC(C)CCC(C)NCCCO 270004a_100000182051_100000210476 [0,2,0,0,0,0|2,0,0]=4 13425 B11R0.46 CC(C)CCC(C)OCCCBr 34a_100011217188_100011261404 [0,2,0,0,0,0|2,0,0]=4 13426 B11R0.46 CC(C)CCC(C)OCCCCl 34a_100000230001_100011261404 [0,2,0,0,0,0|2,0,0]=4 13427 B11R0.46 CC(C)CCC(C)OCCCF 34a_100000759539_100011261404 [0,2,0,0,0,0|2,0,0]=4 13428 B11R0.46 CC(C)CCC(C)OCCCF 34a_100011215350_100011934791 [0,2,0,0,0,0|2,0,0]=4 13429 B11R0.46 CC(C)CCC(C)OCCCF 7a_100011215350_100011934791 [0,2,0,0,0,0|2,0,0]=4 13430 B11R0.46 CC(C)CCC(C)OCCCN 34a_100000182051_100011261404 [0,2,0,0,0,0|2,0,0]=4 13431 B11R0.46 CC(C)CCC(C)OCCCO 34a_100011215350_100000230001 [0,2,0,0,0,0|2,0,0]=4 13432 B11R0.46 CC(C)CCC(C)OCCCO 7a_100011215350_100011215043 [0,2,0,0,0,0|2,0,0]=4 13433 B11R0.46 CC(C)CCC(C)SCCCF 62a_100011261404_100011934791 [0,2,0,0,0,0|2,0,0]=4 13434 B11R0.46 CC(C)CCC(C)SCCCF 62a_100011934791_100011261404 [0,2,0,0,0,0|2,0,0]=4 13435 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011215043_100011261404 [0,2,0,0,0,0|2,0,0]=4 13436 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011261404_100011215043 [0,2,0,0,0,0|2,0,0]=4 13437 B11R0.46 CC(C)CCN(C)CCCCF 2230a_100000742789_100000729493 [0,2,0,0,0,0|2,0,0]=4 13438 B11R0.46 CC(C)CCN(C)CCCCF 269982a_100000742789_100000729493 [0,2,0,0,0,0|2,0,0]=4 13439 B11R0.46 CC(C)CCN(C)CCCCO 2230a_100000717598_100000210312 [0,2,0,0,0,0|2,0,0]=4 13440 B11R0.46 CC(C)CCN(C)CCCCO 2230a_100000742789_100000210776 [0,2,0,0,0,0|2,0,0]=4 13441 B11R0.46 CC(C)CCN(C)CCCCO 269982a_100000717598_100000210312 [0,2,0,0,0,0|2,0,0]=4 13442 B11R0.46 CC(C)CCN(C)CCCCO 269982a_100000742789_100000210776 [0,2,0,0,0,0|2,0,0]=4 13443 B11R0.46 CC(C)OC[C@@H](N)CCCCN 34a_100016993712_100000210206 [0,2,0,0,0,0|2,0,0]=4 13444 B11R0.46 CC(O)CCC(=O)CCCC#N 1458a_100000075515_100012276601 [0,2,0,0,0,0|0,0,2]=4 13445 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,2,0,0,0,0|0,0,1]=3 13446 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [0,2,0,0,0,0|1,0,1]=4 13447 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [0,2,0,0,0,0|1,0,1]=4 13448 B11R0.46 CC(O)CCN(C)CCCCO 2230a_100000717598_100012276601 [0,2,0,0,0,0|1,0,0]=3 13449 B11R0.46 CC(O)CCN(C)CCCCO 269982a_100000717598_100012276601 [0,2,0,0,0,0|1,0,0]=3 13450 B11R0.46 CC(O)CNC(C)CCCC#N 270004a_100000210904_200000032708 [0,2,0,0,0,0|1,0,1]=4 13451 B11R0.46 CC/C=C/CC(=O)CCC(C)O 1458a_100016274230_100012276601 [0,2,0,0,0,0|0,0,2]=4 13452 B11R0.46 CCC#CCC(C)OCC(C)O 34a_200000035118_100011218427 [0,2,0,0,0,0|0,0,2]=4 13453 B11R0.46 CCC#CCC(C)OCC(C)O 7a_200000035118_100011218427 [0,2,0,0,0,0|0,0,2]=4 13454 B11R0.46 CCC#CCC(C)OC[C@@H](C)O 34a_200000035118_100009817552 [0,2,0,0,0,0|0,0,2]=4 13455 B11R0.46 CCC#CCC(C)OC[C@@H](C)O 7a_200000035118_100009817552 [0,2,0,0,0,0|0,0,2]=4 13456 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [0,2,0,0,0,0|0,0,2]=4 13457 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,2,0,0,0,0|0,0,2]=4 13458 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,2,0,0,0,0|1,0,0]=3 13459 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,2,0,0,0,0|1,0,0]=3 13460 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|0,0,0]=2 13461 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,2,0,0,0,0|2,0,0]=4 13462 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,2,0,0,0,0|1,0,1]=4 13463 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,2,0,0,0,0|1,0,1]=4 13464 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,2,0,0,0,0|1,0,1]=4 13465 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,2,0,0,0,0|1,0,1]=4 13466 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,2,0,0,0,0|1,0,1]=4 13467 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,2,0,0,0,0|1,0,1]=4 13468 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,2,0,0,0,0|1,0,1]=4 13469 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,2,0,0,0,0|1,0,1]=4 13470 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,2,0,0,0,0|1,0,1]=4 13471 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,2,0,0,0,0|1,0,1]=4 13472 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,2,0,0,0,0|1,0,1]=4 13473 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,2,0,0,0,0|0,0,1]=3 13474 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,2,0,0,0,0|0,0,1]=3 13475 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,2,0,0,0,0|0,0,1]=3 13476 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|0,0,2]=4 13477 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|0,0,2]=4 13478 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,2,0,0,0,0|1,0,1]=4 13479 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000210953_200011218191 [0,2,0,0,0,0|1,0,0]=3 13480 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000211957_100000210760 [0,2,0,0,0,0|1,0,0]=3 13481 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000210953_100000211708 [0,2,0,0,0,0|1,0,0]=3 13482 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000211957_100000210432 [0,2,0,0,0,0|1,0,0]=3 13483 B11R0.46 CCCCCC(C)NCC(C)C 34a_100000210953_200011218191 [0,2,0,0,0,0|1,0,0]=3 13484 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,2,0,0,0,0|0,0,0]=2 13485 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,2,0,0,0,0|0,0,0]=2 13486 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,2,0,0,0,0|0,0,0]=2 13487 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,2,0,0,0,0|0,0,0]=2 13488 B11R0.46 CCCCCC(C)NCC(F)F 2230a_100000211957_100011934356 [0,2,0,0,0,0|2,0,0]=4 13489 B11R0.46 CCCCCC(C)NCC(F)F 270004a_100000765723_100000211708 [0,2,0,0,0,0|2,0,0]=4 13490 B11R0.46 CCCCCC(C)NCC(F)F 34a_100000765723_200011218191 [0,2,0,0,0,0|2,0,0]=4 13491 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,2,0,0,0,0|0,0,0]=2 13492 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|0,0,2]=4 13493 B11R0.46 CCCCCC(C)OCC(C)Br 34a_100012180447_200011218191 [0,2,0,0,0,0|1,0,0]=3 13494 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [0,2,0,0,0,0|1,0,0]=3 13495 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [0,2,0,0,0,0|1,0,0]=3 13496 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [0,2,0,0,0,0|1,0,0]=3 13497 B11R0.46 CCCCCC(C)OCC(C)F 34a_100015925927_200011218191 [0,2,0,0,0,0|1,0,0]=3 13498 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|0,0,0]=2 13499 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|0,0,0]=2 13500 B11R0.46 CCCCCC(C)OCC(F)F 34a_100000743014_200011218191 [0,2,0,0,0,0|2,0,0]=4 13501 B11R0.46 CCCCCC(C)OCC(F)F 34a_100011215632_100011934356 [0,2,0,0,0,0|2,0,0]=4 13502 B11R0.46 CCCCCC(C)OCC(F)F 7a_100011215632_100011934356 [0,2,0,0,0,0|2,0,0]=4 13503 B11R0.46 CCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218191 [0,2,0,0,0,0|1,0,0]=3 13504 B11R0.46 CCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218191 [0,2,0,0,0,0|1,0,0]=3 13505 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|0,0,0]=2 13506 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|0,0,0]=2 13507 B11R0.46 CCCCCC(C)SCC(C)C 62a_100000210624_200011218191 [0,2,0,0,0,0|1,0,0]=3 13508 B11R0.46 CCCCCC(C)SCC(C)C 62a_200011218191_100000210760 [0,2,0,0,0,0|1,0,0]=3 13509 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,2,0,0,0,0|0,0,0]=2 13510 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,2,0,0,0,0|0,0,0]=2 13511 B11R0.46 CCCCCC(C)SCC(F)F 62a_100011934356_200011218191 [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.46 CCCCCC(C)SCC(F)F 62a_200011218191_100011934356 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,2,0,0,0,0|0,0,0]=2 13514 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,2,0,0,0,0|0,0,0]=2 13515 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,2,0,0,0,0|0,0,2]=4 13516 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,2,0,0,0,0|0,0,2]=4 13517 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,2,0,0,0,0|0,0,2]=4 13518 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000223495_100000210312 [0,2,0,0,0,0|1,0,0]=3 13519 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000742789_100000210326 [0,2,0,0,0,0|1,0,0]=3 13520 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000223495_100000210312 [0,2,0,0,0,0|1,0,0]=3 13521 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000742789_100000210215 [0,2,0,0,0,0|1,0,0]=3 13522 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,2,0,0,0,0|0,0,0]=2 13523 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,2,0,0,0,0|0,0,0]=2 13524 B11R0.46 CCCCCN(C)CCN(C)C 269982a_100000223495_100000755713 [0,2,0,0,0,0|2,0,0]=4 13525 B11R0.46 CCCCCN(C)CCN(C)C 269982a_100000225618_100000210215 [0,2,0,0,0,0|2,0,0]=4 13526 B11R0.46 CCCCCN(C)COC(C)C 2230a_100000223495_100000709892 [0,2,0,0,0,0|2,0,0]=4 13527 B11R0.46 CCCCCN(C)COC(C)C 269982a_100000223495_100000709892 [0,2,0,0,0,0|2,0,0]=4 13528 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 13529 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 13530 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 13531 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 13532 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,2,0,0,0,0|0,0,1]=3 13533 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,2,0,0,0,0|1,0,1]=4 13534 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,2,0,0,0,0|1,0,1]=4 13535 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,2,0,0,0,0|1,0,1]=4 13536 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,2,0,0,0,0|1,0,1]=4 13537 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,2,0,0,0,0|1,0,1]=4 13538 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100000102301_100011261404 [0,2,0,0,0,0|1,0,0]=3 13539 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100138410893_100000210211 [0,2,0,0,0,0|1,0,0]=3 13540 B11R0.46 CCCCNC(C)CCC(C)C 270004a_100000102301_100000210476 [0,2,0,0,0,0|1,0,0]=3 13541 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [0,2,0,0,0,0|1,0,0]=3 13542 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [0,2,0,0,0,0|1,0,0]=3 13543 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [0,2,0,0,0,0|1,0,0]=3 13544 B11R0.46 CCCCSC(C)CCC(C)C 62a_100000210211_100011261404 [0,2,0,0,0,0|1,0,0]=3 13545 B11R0.46 CCCCSC(C)CCC(C)C 62a_100011261404_100000210210 [0,2,0,0,0,0|1,0,0]=3 13546 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,2,0,0,0,0|1,0,1]=4 13547 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|0,0,1]=3 13548 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,2,0,0,0,0|1,0,1]=4 13549 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,2,0,0,0,0|1,0,1]=4 13550 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,2,0,0,0,0|1,0,1]=4 13551 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,2,0,0,0,0|1,0,1]=4 13552 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,2,0,0,0,0|0,0,1]=3 13553 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [0,2,0,0,0,0|1,0,1]=4 13554 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [0,2,0,0,0,0|1,0,1]=4 13555 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [0,2,0,0,0,0|1,0,1]=4 13556 B11R0.46 CCCSCC(C)NCC(C)C 270004a_100000210953_100011343953 [0,2,0,0,0,0|2,0,0]=4 13557 B11R0.46 CCCSCC(C)NCC(C)O 270004a_100000210904_100011343953 [0,2,0,0,0,0|1,0,0]=3 13558 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,2,0,0,0,0|1,0,1]=4 13559 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,2,0,0,0,0|1,0,1]=4 13560 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|0,0,1]=3 13561 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,2,0,0,0,0|1,0,1]=4 13562 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,2,0,0,0,0|1,0,1]=4 13563 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,2,0,0,0,0|1,0,1]=4 13564 B11R0.46 CCOCCC(C)NCC(C)C 270004a_100000210953_200011216536 [0,2,0,0,0,0|2,0,0]=4 13565 B11R0.46 CCOCCC(C)NCC(C)O 270004a_100000210904_200011216536 [0,2,0,0,0,0|1,0,0]=3 13566 B11R0.46 CCOCCN(C)CCC(C)C 2230a_100000742789_100011215890 [0,2,0,0,0,0|2,0,0]=4 13567 B11R0.46 CCOCCN(C)CCC(C)C 269982a_100000742789_100011215890 [0,2,0,0,0,0|2,0,0]=4 13568 B11R0.46 CCOCSC(C)CCC(C)C 62a_100000739092_100011261404 [0,2,0,0,0,0|2,0,0]=4 13569 B11R0.46 CCOCSC(C)CCC(C)C 62a_100011261404_100000739092 [0,2,0,0,0,0|2,0,0]=4 13570 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,2,0,0,0,0|1,0,1]=4 13571 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,2,0,0,0,0|1,0,1]=4 13572 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,2,0,0,0,0|0,0,1]=3 13573 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [0,2,0,0,0,0|1,0,1]=4 13574 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [0,2,0,0,0,0|1,0,1]=4 13575 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [0,2,0,0,0,0|1,0,1]=4 13576 B11R0.46 CCSCCN(C)CCC(C)C 2230a_100000742789_100000757381 [0,2,0,0,0,0|2,0,0]=4 13577 B11R0.46 CCSCCN(C)CCC(C)C 269982a_100000742789_100000757381 [0,2,0,0,0,0|2,0,0]=4 13578 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,2,0,0,0,0|1,0,1]=4 13579 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,2,0,0,0,0|1,0,1]=4 13580 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,2,0,0,0,0|0,0,1]=3 13581 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [0,2,0,0,0,0|1,0,1]=4 13582 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [0,2,0,0,0,0|1,0,1]=4 13583 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [0,2,0,0,0,0|1,0,1]=4 13584 B11R0.46 COCCCC(C)OCC(C)C 34a_200011539412_100000210624 [0,2,0,0,0,0|2,0,0]=4 13585 B11R0.46 COCCCC(C)OCC(C)C 7a_200011539412_100000210760 [0,2,0,0,0,0|2,0,0]=4 13586 B11R0.46 COCCCC(C)OCC(C)O 34a_200011539412_100011218427 [0,2,0,0,0,0|1,0,0]=3 13587 B11R0.46 COCCCC(C)OCC(C)O 7a_200011539412_100011218427 [0,2,0,0,0,0|1,0,0]=3 13588 B11R0.46 COCCCC(C)OC[C@@H](C)O 34a_200011539412_100009817552 [0,2,0,0,0,0|1,0,0]=3 13589 B11R0.46 COCCCC(C)OC[C@@H](C)O 7a_200011539412_100009817552 [0,2,0,0,0,0|1,0,0]=3 13590 B11R0.46 COCCCN(C)CCC(C)C 2230a_100000224831_100000210312 [0,2,0,0,0,0|2,0,0]=4 13591 B11R0.46 COCCCN(C)CCC(C)C 2230a_100000742789_100000740836 [0,2,0,0,0,0|2,0,0]=4 13592 B11R0.46 COCCCN(C)CCC(C)C 269982a_100000224831_100000210312 [0,2,0,0,0,0|2,0,0]=4 13593 B11R0.46 COCCCN(C)CCC(C)C 269982a_100000742789_100000740836 [0,2,0,0,0,0|2,0,0]=4 13594 B11R0.46 COCCCN(C)CCC(C)O 2230a_100000224831_100012276601 [0,2,0,0,0,0|1,0,0]=3 13595 B11R0.46 COCCCN(C)CCC(C)O 269982a_100000224831_100012276601 [0,2,0,0,0,0|1,0,0]=3 13596 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [0,2,0,0,0,0|1,0,1]=4 13597 B11R0.46 COCCNC(C)CCC(C)C 2230a_100000209980_100011261404 [0,2,0,0,0,0|2,0,0]=4 13598 B11R0.46 COCCNC(C)CCC(C)C 2230a_100138410893_100011201679 [0,2,0,0,0,0|2,0,0]=4 13599 B11R0.46 COCCNC(C)CCC(C)C 270004a_100000209980_100000210476 [0,2,0,0,0,0|2,0,0]=4 13600 B11R0.46 COCCOC(C)CCC(C)C 34a_100000210237_100011261404 [0,2,0,0,0,0|2,0,0]=4 13601 B11R0.46 COCCOC(C)CCC(C)C 34a_100011215350_100011201679 [0,2,0,0,0,0|2,0,0]=4 13602 B11R0.46 COCCOC(C)CCC(C)C 7a_100011215350_100000233755 [0,2,0,0,0,0|2,0,0]=4 13603 B11R0.46 COCCSC(C)CCC(C)C 62a_100000233755_100011261404 [0,2,0,0,0,0|2,0,0]=4 13604 B11R0.46 COCCSC(C)CCC(C)C 62a_100011261404_100000233755 [0,2,0,0,0,0|2,0,0]=4 13605 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,2,0,0,0,0|1,0,1]=4 13606 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,2,0,0,0,0|0,0,1]=3 13607 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [0,2,0,0,0,0|1,0,1]=4 13608 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [0,2,0,0,0,0|1,0,1]=4 13609 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [0,2,0,0,0,0|1,0,1]=4 13610 B11R0.46 CSCCCC(C)NCC(C)C 270004a_100000210953_100011399439 [0,2,0,0,0,0|2,0,0]=4 13611 B11R0.46 CSCCCC(C)NCC(C)O 270004a_100000210904_100011399439 [0,2,0,0,0,0|1,0,0]=3 13612 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [0,2,0,0,0,0|1,0,1]=4 13613 B11R0.46 CSCCNC(C)CCC(C)C 2230a_100020590264_100011261404 [0,2,0,0,0,0|2,0,0]=4 13614 B11R0.46 CSCCNC(C)CCC(C)C 2230a_100138410893_100000751147 [0,2,0,0,0,0|2,0,0]=4 13615 B11R0.46 CSCCNC(C)CCC(C)C 270004a_100020590264_100000210476 [0,2,0,0,0,0|2,0,0]=4 13616 B11R0.46 CSCCOC(C)CCC(C)C 34a_100000230434_100011261404 [0,2,0,0,0,0|2,0,0]=4 13617 B11R0.46 CSCCOC(C)CCC(C)C 34a_100011215350_100000212216 [0,2,0,0,0,0|2,0,0]=4 13618 B11R0.46 CSCCOC(C)CCC(C)C 7a_100011215350_100000212216 [0,2,0,0,0,0|2,0,0]=4 13619 B11R0.46 CSCCSC(C)CCC(C)C 62a_100000212216_100011261404 [0,2,0,0,0,0|2,0,0]=4 13620 B11R0.46 CSCCSC(C)CCC(C)C 62a_100011261404_100000751147 [0,2,0,0,0,0|2,0,0]=4 13621 B11R0.111 C#CC(C)NCCCCC(C)C 2230a_100000707721_100011216152 [0,2,0,0,0,0|2,0,0]=4 13622 B11R0.111 C#CC(C)NCCCCC(C)C 34a_100000707721_100011216152 [0,2,0,0,0,0|2,0,0]=4 13623 B11R0.111 C#CC(C)OCCCCC(C)C 34a_100011214890_200000035995 [0,2,0,0,0,0|2,0,0]=4 13624 B11R0.111 C#CC(C)SCCCCC(C)C 62a_200000035995_100011216152 [0,2,0,0,0,0|2,0,0]=4 13625 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,2,0,0,0,0|0,0,2]=4 13626 B11R0.111 C#CC(O)CCCCCN(C)C 2230a_100102631434_200010408556 [0,2,0,0,0,0|1,0,1]=4 13627 B11R0.111 C#CC(O)CCCCCN(C)C 269982a_100102631434_200010408556 [0,2,0,0,0,0|1,0,1]=4 13628 B11R0.111 C#C[C@@H](C)OCCCCC(C)C 34a_100009815206_100011216152 [0,2,0,0,0,0|2,0,0]=4 13629 B11R0.111 C#C[C@@H](C)OCCCCC(C)C 7a_100009815206_100011216152 [0,2,0,0,0,0|2,0,0]=4 13630 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,2,0,0,0,0|1,0,1]=4 13631 B11R0.111 C=C(C)CCNCCC(C)CO 2230a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 13632 B11R0.111 C=C(C)CCNCCC(C)CO 34a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 13633 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,2,0,0,0,0|1,0,1]=4 13634 B11R0.111 C=C(C)CCOCCC(C)OC 7a_100000764861_100000730704 [0,2,0,0,0,0|1,0,1]=4 13635 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,2,0,0,0,0|1,0,1]=4 13636 B11R0.111 C=CC(C)COCCCC(C)C 34a_100011215527_100011214892 [0,2,0,0,0,0|2,0,0]=4 13637 B11R0.111 C=CC(C)COCCCC(C)C 7a_100011215527_100011214892 [0,2,0,0,0,0|2,0,0]=4 13638 B11R0.111 C=CC(C)COCCCC(C)O 34a_100011215527_200000718107 [0,2,0,0,0,0|1,0,0]=3 13639 B11R0.111 C=CC(C)COCCCC(C)O 7a_100011215527_200000718107 [0,2,0,0,0,0|1,0,0]=3 13640 B11R0.111 C=CC(C)OCCCCC(C)C 34a_100000695699_100011216152 [0,2,0,0,0,0|2,0,0]=4 13641 B11R0.111 C=CC(C)SCCCCC(C)C 62a_100011215867_100011216152 [0,2,0,0,0,0|2,0,0]=4 13642 B11R0.111 C=CC(O)CNCCCC(C)C 2230a_200000737386_100000730141 [0,2,0,0,0,0|1,0,1]=4 13643 B11R0.111 C=CC(O)CNCCCC(C)C 34a_200000737386_100000730141 [0,2,0,0,0,0|1,0,1]=4 13644 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,2,0,0,0,0|1,0,1]=4 13645 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,2,0,0,0,0|1,0,1]=4 13646 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100000730141_100011214892 [0,2,0,0,0,0|1,0,1]=4 13647 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100011214892_100000730141 [0,2,0,0,0,0|1,0,1]=4 13648 B11R0.111 C=CC(O)CSCCCC(C)O 62a_100000730141_200000718107 [0,2,0,0,0,0|0,0,2]=4 13649 B11R0.111 C=CC(O)CSCCCC(C)O 62a_200000718107_100000730141 [0,2,0,0,0,0|0,0,2]=4 13650 B11R0.111 C=C[C@H](N)COCCCC(C)O 34a_100016989147_200000718107 [0,2,0,0,0,0|0,0,2]=4 13651 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,2,0,0,0,0|1,0,1]=4 13652 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,2,0,0,0,0|1,0,1]=4 13653 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,2,0,0,0,0|1,0,1]=4 13654 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,2,0,0,0,0|1,0,1]=4 13655 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 13656 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 13657 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 13658 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 13659 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 13660 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 13661 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 13662 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 13663 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,2,0,0,0,0|1,0,1]=4 13664 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,2,0,0,0,0|1,0,1]=4 13665 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,2,0,0,0,0|1,0,1]=4 13666 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,2,0,0,0,0|1,0,1]=4 13667 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,2,0,0,0,0|1,0,1]=4 13668 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,2,0,0,0,0|1,0,1]=4 13669 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,2,0,0,0,0|1,0,1]=4 13670 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,2,0,0,0,0|1,0,1]=4 13671 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,2,0,0,0,0|0,0,2]=4 13672 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|0,0,2]=4 13673 B11R0.111 CC(C)CCCCNC(C)C#N 2230a_100000737613_100011216152 [0,2,0,0,0,0|2,0,0]=4 13674 B11R0.111 CC(C)CCCCN[C@H](C)CO 2230a_100000737577_100011216152 [0,2,0,0,0,0|1,0,0]=3 13675 B11R0.111 CC(C)CCCCOC(C)C#N 34a_100011218135_100011216152 [0,2,0,0,0,0|2,0,0]=4 13676 B11R0.111 CC(C)CCCCOC(C)C#N 7a_100011214890_100000703298 [0,2,0,0,0,0|2,0,0]=4 13677 B11R0.111 CC(C)CCCCOC(C)CF 34a_100016041109_100011216152 [0,2,0,0,0,0|2,0,0]=4 13678 B11R0.111 CC(C)CCCCOC(C)CF 7a_100016041109_100011216152 [0,2,0,0,0,0|2,0,0]=4 13679 B11R0.111 CC(C)CCCCOC(C)CN 34a_100000210904_100011216152 [0,2,0,0,0,0|2,0,0]=4 13680 B11R0.111 CC(C)CCCCOC(C)CO 34a_100011214890_100012180447 [0,2,0,0,0,0|1,0,0]=3 13681 B11R0.111 CC(C)CCCCOC(C)CO 7a_100011214890_100012180447 [0,2,0,0,0,0|1,0,0]=3 13682 B11R0.111 CC(C)CCCCSC(C)C#N 62a_100000703298_100011216152 [0,2,0,0,0,0|2,0,0]=4 13683 B11R0.111 CC(C)CCCCSC(C)C#N 62a_100011216152_100000703298 [0,2,0,0,0,0|2,0,0]=4 13684 B11R0.111 CC(C)CCCCSC(C)CO 62a_100012180447_100011216152 [0,2,0,0,0,0|1,0,0]=3 13685 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100011216152_100016084084 [0,2,0,0,0,0|1,0,0]=3 13686 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100016084084_100011216152 [0,2,0,0,0,0|1,0,0]=3 13687 B11R0.111 CC(C)CCCNCC(C)CO 34a_100000744482_100011214892 [0,2,0,0,0,0|1,0,0]=3 13688 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,2,0,0,0,0|1,0,0]=3 13689 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,2,0,0,0,0|1,0,0]=3 13690 B11R0.111 CC(C)CCCNC[C@@H](C)CO 2230a_200000737386_100000059175 [0,2,0,0,0,0|1,0,0]=3 13691 B11R0.111 CC(C)CCCNC[C@@H](C)CO 34a_200000737386_100000059175 [0,2,0,0,0,0|1,0,0]=3 13692 B11R0.111 CC(C)CCCNC[C@@H](F)CO 34a_100015665980_100011214892 [0,2,0,0,0,0|2,0,0]=4 13693 B11R0.111 CC(C)CCCNC[C@@H](O)CF 2230a_200000737386_100015614560 [0,2,0,0,0,0|1,0,0]=3 13694 B11R0.111 CC(C)CCCNC[C@@H](O)CF 34a_200000737386_100015614560 [0,2,0,0,0,0|1,0,0]=3 13695 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,2,0,0,0,0|1,0,0]=3 13696 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,2,0,0,0,0|1,0,0]=3 13697 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,2,0,0,0,0|1,0,0]=3 13698 B11R0.111 CC(C)CCCOCC(C)CN 34a_100000744482_100011214892 [0,2,0,0,0,0|2,0,0]=4 13699 B11R0.111 CC(C)CCCOCC(Cl)CCl 34a_100000033668_100011214892 [0,2,0,0,0,0|2,0,0]=4 13700 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,2,0,0,0,0|1,0,0]=3 13701 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,2,0,0,0,0|1,0,0]=3 13702 B11R0.111 CC(C)CCCOC[C@@H](C)CO 34a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 13703 B11R0.111 CC(C)CCCOC[C@@H](C)CO 7a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 13704 B11R0.111 CC(C)CCCOC[C@@H](O)CF 34a_100000210774_100015614560 [0,2,0,0,0,0|1,0,0]=3 13705 B11R0.111 CC(C)CCCOC[C@@H](O)CF 7a_100000210774_100015614560 [0,2,0,0,0,0|1,0,0]=3 13706 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,2,0,0,0,0|1,0,0]=3 13707 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,2,0,0,0,0|1,0,0]=3 13708 B11R0.111 CC(C)CCCOC[C@H](F)CN 34a_100015665980_100011214892 [0,2,0,0,0,0|2,0,0]=4 13709 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,2,0,0,0,0|1,0,0]=3 13710 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,2,0,0,0,0|1,0,0]=3 13711 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100000059175_100011214892 [0,2,0,0,0,0|1,0,0]=3 13712 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100011214892_100000059175 [0,2,0,0,0,0|1,0,0]=3 13713 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100011214892_100015614560 [0,2,0,0,0,0|1,0,0]=3 13714 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100015614560_100011214892 [0,2,0,0,0,0|1,0,0]=3 13715 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,2,0,0,0,0|1,0,0]=3 13716 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,2,0,0,0,0|1,0,0]=3 13717 B11R0.111 CC(C)CCNCCC(C)CO 2230a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 13718 B11R0.111 CC(C)CCNCCC(C)CO 269862a_106354213184_100000185833 [0,2,0,0,0,0|1,0,0]=3 13719 B11R0.111 CC(C)CCNCCC(C)CO 34a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 13720 B11R0.111 CC(C)CNCCOC(C)CO 34a_100015185251_100012180447 [0,2,0,0,0,0|2,0,0]=4 13721 B11R0.111 CC(C)COCCC[C@@H](C)CN 34a_100160569302_100000210624 [0,2,0,0,0,0|2,0,0]=4 13722 B11R0.111 CC(C)COCCOC(C)CO 34a_100000703358_100012180447 [0,2,0,0,0,0|2,0,0]=4 13723 B11R0.111 CC(C)COCCOC(C)CO 7a_100000703358_100012180447 [0,2,0,0,0,0|2,0,0]=4 13724 B11R0.111 CC(C)CSCCOC(C)CO 34a_200000230437_100012180447 [0,2,0,0,0,0|2,0,0]=4 13725 B11R0.111 CC(C)CSCCOC(C)CO 7a_200000230437_100012180447 [0,2,0,0,0,0|2,0,0]=4 13726 B11R0.111 CC(C)NCCCOC(C)CO 34a_100000182298_100012180447 [0,2,0,0,0,0|2,0,0]=4 13727 B11R0.111 CC(C)NCCOCC(O)CO 34a_100000224655_100011219619 [0,2,0,0,0,0|2,0,0]=4 13728 B11R0.111 CC(C)NCCOC[C@@H](C)CO 34a_100000224655_100000059175 [0,2,0,0,0,0|2,0,0]=4 13729 B11R0.111 CC(C)NCCOC[C@@H](O)CF 34a_100000224655_100015614560 [0,2,0,0,0,0|2,0,0]=4 13730 B11R0.111 CC(C)NCCOC[C@@H](O)CO 34a_100000224655_100009815848 [0,2,0,0,0,0|2,0,0]=4 13731 B11R0.111 CC(C)OCCNCC(O)CO 2230a_100000701111_100011219619 [0,2,0,0,0,0|2,0,0]=4 13732 B11R0.111 CC(C)OCCNCC(O)CO 34a_100000701111_100011219619 [0,2,0,0,0,0|2,0,0]=4 13733 B11R0.111 CC(C)OCCNC[C@@H](C)CO 2230a_100000701111_100000059175 [0,2,0,0,0,0|2,0,0]=4 13734 B11R0.111 CC(C)OCCNC[C@@H](C)CO 34a_100000701111_100000059175 [0,2,0,0,0,0|2,0,0]=4 13735 B11R0.111 CC(C)OCCNC[C@@H](O)CF 2230a_100000701111_100015614560 [0,2,0,0,0,0|2,0,0]=4 13736 B11R0.111 CC(C)OCCNC[C@@H](O)CF 34a_100000701111_100015614560 [0,2,0,0,0,0|2,0,0]=4 13737 B11R0.111 CC(C)OCCNC[C@@H](O)CO 2230a_100000701111_100009815848 [0,2,0,0,0,0|2,0,0]=4 13738 B11R0.111 CC(C)OCCNC[C@@H](O)CO 34a_100000701111_100009815848 [0,2,0,0,0,0|2,0,0]=4 13739 B11R0.111 CC(C)OCCNC[C@H](O)CO 2230a_100020644852_100000211751 [0,2,0,0,0,0|2,0,0]=4 13740 B11R0.111 CC(C)OCCOCC(O)CO 34a_100000211219_100011219619 [0,2,0,0,0,0|2,0,0]=4 13741 B11R0.111 CC(C)OCCOCC(O)CO 7a_100000211219_100011219619 [0,2,0,0,0,0|2,0,0]=4 13742 B11R0.111 CC(C)OCCOC[C@@H](C)CO 34a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 13743 B11R0.111 CC(C)OCCOC[C@@H](C)CO 7a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 13744 B11R0.111 CC(C)OCCOC[C@@H](O)CF 34a_100000211219_100015614560 [0,2,0,0,0,0|2,0,0]=4 13745 B11R0.111 CC(C)OCCOC[C@@H](O)CF 7a_100000211219_100015614560 [0,2,0,0,0,0|2,0,0]=4 13746 B11R0.111 CC(C)OCCOC[C@@H](O)CO 34a_100000211219_100009815848 [0,2,0,0,0,0|2,0,0]=4 13747 B11R0.111 CC(C)OCCOC[C@@H](O)CO 7a_100000211219_100009815848 [0,2,0,0,0,0|2,0,0]=4 13748 B11R0.111 CC(C)OCCSCC(O)CO 62a_100000211751_100011219619 [0,2,0,0,0,0|2,0,0]=4 13749 B11R0.111 CC(C)OCCSCC(O)CO 62a_100011219619_100000211751 [0,2,0,0,0,0|2,0,0]=4 13750 B11R0.111 CC(C)OCCSC[C@@H](C)CO 62a_100000059175_100000211751 [0,2,0,0,0,0|2,0,0]=4 13751 B11R0.111 CC(C)OCCSC[C@@H](C)CO 62a_100000211751_100000059175 [0,2,0,0,0,0|2,0,0]=4 13752 B11R0.111 CC(C)OCCSC[C@@H](O)CF 62a_100000211751_100015614560 [0,2,0,0,0,0|2,0,0]=4 13753 B11R0.111 CC(C)OCCSC[C@@H](O)CF 62a_100015614560_100000211751 [0,2,0,0,0,0|2,0,0]=4 13754 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100000211751_100009815848 [0,2,0,0,0,0|2,0,0]=4 13755 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100009815848_100000211751 [0,2,0,0,0,0|2,0,0]=4 13756 B11R0.111 CC(C)SCCNCC(O)CO 2230a_100000731138_100011219619 [0,2,0,0,0,0|2,0,0]=4 13757 B11R0.111 CC(C)SCCNCC(O)CO 34a_100000731138_100011219619 [0,2,0,0,0,0|2,0,0]=4 13758 B11R0.111 CC(C)SCCNC[C@@H](C)CO 2230a_100000731138_100000059175 [0,2,0,0,0,0|2,0,0]=4 13759 B11R0.111 CC(C)SCCNC[C@@H](C)CO 34a_100000731138_100000059175 [0,2,0,0,0,0|2,0,0]=4 13760 B11R0.111 CC(C)SCCNC[C@@H](O)CF 2230a_100000731138_100015614560 [0,2,0,0,0,0|2,0,0]=4 13761 B11R0.111 CC(C)SCCNC[C@@H](O)CF 34a_100000731138_100015614560 [0,2,0,0,0,0|2,0,0]=4 13762 B11R0.111 CC(C)SCCNC[C@@H](O)CO 2230a_100000731138_100009815848 [0,2,0,0,0,0|2,0,0]=4 13763 B11R0.111 CC(C)SCCNC[C@@H](O)CO 34a_100000731138_100009815848 [0,2,0,0,0,0|2,0,0]=4 13764 B11R0.111 CC(C)SCCNC[C@H](O)CO 2230a_100020644852_100000730970 [0,2,0,0,0,0|2,0,0]=4 13765 B11R0.111 CC(C)SCCOCC(O)CO 34a_200011212901_100011219619 [0,2,0,0,0,0|2,0,0]=4 13766 B11R0.111 CC(C)SCCOCC(O)CO 7a_200011212901_100011219619 [0,2,0,0,0,0|2,0,0]=4 13767 B11R0.111 CC(C)SCCOC[C@@H](C)CO 34a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 13768 B11R0.111 CC(C)SCCOC[C@@H](C)CO 7a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 13769 B11R0.111 CC(C)SCCOC[C@@H](O)CF 34a_200011212901_100015614560 [0,2,0,0,0,0|2,0,0]=4 13770 B11R0.111 CC(C)SCCOC[C@@H](O)CF 7a_200011212901_100015614560 [0,2,0,0,0,0|2,0,0]=4 13771 B11R0.111 CC(C)SCCOC[C@@H](O)CO 34a_200011212901_100009815848 [0,2,0,0,0,0|2,0,0]=4 13772 B11R0.111 CC(C)SCCOC[C@@H](O)CO 7a_200011212901_100009815848 [0,2,0,0,0,0|2,0,0]=4 13773 B11R0.111 CC(C)SCCSCC(O)CO 62a_100000730970_100011219619 [0,2,0,0,0,0|2,0,0]=4 13774 B11R0.111 CC(C)SCCSCC(O)CO 62a_100011219619_100000730970 [0,2,0,0,0,0|2,0,0]=4 13775 B11R0.111 CC(C)SCCSC[C@@H](C)CO 62a_100000059175_100000730970 [0,2,0,0,0,0|2,0,0]=4 13776 B11R0.111 CC(C)SCCSC[C@@H](C)CO 62a_100000730970_100000059175 [0,2,0,0,0,0|2,0,0]=4 13777 B11R0.111 CC(C)SCCSC[C@@H](O)CF 62a_100000730970_100015614560 [0,2,0,0,0,0|2,0,0]=4 13778 B11R0.111 CC(C)SCCSC[C@@H](O)CF 62a_100015614560_100000730970 [0,2,0,0,0,0|2,0,0]=4 13779 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100000730970_100009815848 [0,2,0,0,0,0|2,0,0]=4 13780 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100009815848_100000730970 [0,2,0,0,0,0|2,0,0]=4 13781 B11R0.111 CC(CO)CCNCOC(C)C 2230a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 13782 B11R0.111 CC(CO)CCNCOC(C)C 34a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 13783 B11R0.111 CC(CO)CNCCOC(C)C 34a_100000744482_100000211751 [0,2,0,0,0,0|2,0,0]=4 13784 B11R0.111 CC(CO)CNCCSC(C)C 34a_100000744482_100000730970 [0,2,0,0,0,0|2,0,0]=4 13785 B11R0.111 CC(CO)NCCCOC(C)C 2230a_100000737246_100012180447 [0,2,0,0,0,0|2,0,0]=4 13786 B11R0.111 CC(CO)NCCCOC(C)C 34a_100000737246_100012180447 [0,2,0,0,0,0|2,0,0]=4 13787 B11R0.111 CC(CO)SCCCCN(C)C 62a_100012180447_100000690147 [0,2,0,0,0,0|2,0,0]=4 13788 B11R0.111 CC(O)CCCNCC(C)CO 34a_100000744482_200000718107 [0,2,0,0,0,0|1,0,0]=3 13789 B11R0.111 CC(O)CCCNC[C@@H](F)CO 34a_100015665980_200000718107 [0,2,0,0,0,0|1,0,0]=3 13790 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,2,0,0,0,0|1,0,0]=3 13791 B11R0.111 CC(O)CCCOCC(C)CN 34a_100000744482_200000718107 [0,2,0,0,0,0|1,0,0]=3 13792 B11R0.111 CC(O)CCCOCC(Cl)CCl 34a_100000033668_200000718107 [0,2,0,0,0,0|1,0,0]=3 13793 B11R0.111 CC(O)CCCOC[C@H](F)CN 34a_100015665980_200000718107 [0,2,0,0,0,0|1,0,0]=3 13794 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,2,0,0,0,0|1,0,0]=3 13795 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,2,0,0,0,0|1,0,0]=3 13796 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_100000059175_200000718107 [0,2,0,0,0,0|1,0,0]=3 13797 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_200000718107_100000059175 [0,2,0,0,0,0|1,0,0]=3 13798 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_100015614560_200000718107 [0,2,0,0,0,0|1,0,0]=3 13799 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_200000718107_100015614560 [0,2,0,0,0,0|1,0,0]=3 13800 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,2,0,0,0,0|1,0,0]=3 13801 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,2,0,0,0,0|1,0,0]=3 13802 B11R0.111 CC(O)CCNCCC(C)CO 2230a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 13803 B11R0.111 CC(O)CCNCCC(C)CO 34a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 13804 B11R0.111 CC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218427 [0,2,0,0,0,0|1,0,0]=3 13805 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,2,0,0,0,0|2,0,0]=4 13806 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|1,0,0]=3 13807 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|1,0,0]=3 13808 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,2,0,0,0,0|1,0,1]=4 13809 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,2,0,0,0,0|1,0,1]=4 13810 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,2,0,0,0,0|0,0,1]=3 13811 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,2,0,0,0,0|1,0,1]=4 13812 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,2,0,0,0,0|1,0,1]=4 13813 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,2,0,0,0,0|0,0,1]=3 13814 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,2,0,0,0,0|0,0,1]=3 13815 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,2,0,0,0,0|1,0,1]=4 13816 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,2,0,0,0,0|1,0,1]=4 13817 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,2,0,0,0,0|1,0,1]=4 13818 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,2,0,0,0,0|1,0,1]=4 13819 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,2,0,0,0,0|1,0,1]=4 13820 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,2,0,0,0,0|1,0,1]=4 13821 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,2,0,0,0,0|1,0,1]=4 13822 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,2,0,0,0,0|1,0,1]=4 13823 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,2,0,0,0,0|1,0,0]=3 13824 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|0,0,0]=2 13825 B11R0.111 CCC(C)CCCOCC(F)F 7a_100011216074_100011934356 [0,2,0,0,0,0|2,0,0]=4 13826 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|0,0,0]=2 13827 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,2,0,0,0,0|1,0,0]=3 13828 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,2,0,0,0,0|1,0,0]=3 13829 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|0,0,0]=2 13830 B11R0.111 CCC(C)CCNCOC(C)C 2230a_100020591266_100000709892 [0,2,0,0,0,0|2,0,0]=4 13831 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,2,0,0,0,0|0,0,2]=4 13832 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,2,0,0,0,0|1,0,0]=3 13833 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|0,0,0]=2 13834 B11R0.111 CCC(C)CCOCCN(C)C 7a_100011215188_100000755713 [0,2,0,0,0,0|2,0,0]=4 13835 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,2,0,0,0,0|1,0,0]=3 13836 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,2,0,0,0,0|1,0,0]=3 13837 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,2,0,0,0,0|1,0,0]=3 13838 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,2,0,0,0,0|1,0,0]=3 13839 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,2,0,0,0,0|0,0,0]=2 13840 B11R0.111 CCC(C)CNCCCN(C)C 270004a_102531767803_100000243153 [0,2,0,0,0,0|2,0,0]=4 13841 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,2,0,0,0,0|1,0,1]=4 13842 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,2,0,0,0,0|1,0,1]=4 13843 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100000701111_100000748023 [0,2,0,0,0,0|2,0,0]=4 13844 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100020588543_100000211751 [0,2,0,0,0,0|2,0,0]=4 13845 B11R0.111 CCC(C)CNCCOC(C)C 270004a_100000701111_100000243153 [0,2,0,0,0,0|2,0,0]=4 13846 B11R0.111 CCC(C)CNCCOC(C)C 34a_100000701111_100000748023 [0,2,0,0,0,0|2,0,0]=4 13847 B11R0.111 CCC(C)CNCCSC(C)C 2230a_100000731138_100000748023 [0,2,0,0,0,0|2,0,0]=4 13848 B11R0.111 CCC(C)CNCCSC(C)C 2230a_100020588543_100000730970 [0,2,0,0,0,0|2,0,0]=4 13849 B11R0.111 CCC(C)CNCCSC(C)C 270004a_100000731138_100000243153 [0,2,0,0,0,0|2,0,0]=4 13850 B11R0.111 CCC(C)CNCCSC(C)C 34a_100000731138_100000748023 [0,2,0,0,0,0|2,0,0]=4 13851 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,2,0,0,0,0|0,0,2]=4 13852 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,2,0,0,0,0|0,0,2]=4 13853 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,2,0,0,0,0|1,0,0]=3 13854 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,2,0,0,0,0|1,0,0]=3 13855 B11R0.111 CCC(C)COCCNC(C)C 34a_100000224655_100000748023 [0,2,0,0,0,0|2,0,0]=4 13856 B11R0.111 CCC(C)COCCOC(C)C 34a_100000211219_100000748023 [0,2,0,0,0,0|2,0,0]=4 13857 B11R0.111 CCC(C)COCCOC(C)C 7a_100000211219_100000748023 [0,2,0,0,0,0|2,0,0]=4 13858 B11R0.111 CCC(C)COCCSC(C)C 34a_200011212901_100000748023 [0,2,0,0,0,0|2,0,0]=4 13859 B11R0.111 CCC(C)COCCSC(C)C 7a_200011212901_100000748023 [0,2,0,0,0,0|2,0,0]=4 13860 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,2,0,0,0,0|0,0,2]=4 13861 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,2,0,0,0,0|0,0,2]=4 13862 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,2,0,0,0,0|1,0,0]=3 13863 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,2,0,0,0,0|1,0,0]=3 13864 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,2,0,0,0,0|0,0,0]=2 13865 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,2,0,0,0,0|0,0,0]=2 13866 B11R0.111 CCC(C)CSCCCN(C)C 62a_100000748023_100000757444 [0,2,0,0,0,0|2,0,0]=4 13867 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000211751_100000748023 [0,2,0,0,0,0|2,0,0]=4 13868 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000748023_100000211751 [0,2,0,0,0,0|2,0,0]=4 13869 B11R0.111 CCC(C)CSCCSC(C)C 62a_100000730970_100000748023 [0,2,0,0,0,0|2,0,0]=4 13870 B11R0.111 CCC(C)CSCCSC(C)C 62a_100000748023_100000730970 [0,2,0,0,0,0|2,0,0]=4 13871 B11R0.111 CCC(C)NCCCCB(O)O 2230a_100000209981_200009817182 [0,2,0,0,0,0|2,0,0]=4 13872 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,2,0,0,0,0|1,0,0]=3 13873 B11R0.111 CCC(C)NCCCOC(C)C 2230a_100000737246_100000758301 [0,2,0,0,0,0|2,0,0]=4 13874 B11R0.111 CCC(C)NCCCOC(C)C 34a_100000737246_100011215416 [0,2,0,0,0,0|2,0,0]=4 13875 B11R0.111 CCC(C)OCCCCB(O)O 7a_100000210228_200009817182 [0,2,0,0,0,0|2,0,0]=4 13876 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,2,0,0,0,0|0,0,2]=4 13877 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,2,0,0,0,0|1,0,0]=3 13878 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,2,0,0,0,0|1,0,0]=3 13879 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,2,0,0,0,0|1,0,0]=3 13880 B11R0.111 CCC(C)OCCCNC(C)C 34a_100000182298_100011215416 [0,2,0,0,0,0|2,0,0]=4 13881 B11R0.111 CCC(C)OCCNCC(C)C 34a_100015185251_100011215416 [0,2,0,0,0,0|2,0,0]=4 13882 B11R0.111 CCC(C)OCCOCC(C)C 34a_100000703358_100011215416 [0,2,0,0,0,0|2,0,0]=4 13883 B11R0.111 CCC(C)OCCOCC(C)C 7a_100000703358_100000758301 [0,2,0,0,0,0|2,0,0]=4 13884 B11R0.111 CCC(C)OCCSCC(C)C 34a_200000230437_100011215416 [0,2,0,0,0,0|2,0,0]=4 13885 B11R0.111 CCC(C)OCCSCC(C)C 7a_200000230437_100000758301 [0,2,0,0,0,0|2,0,0]=4 13886 B11R0.111 CCC(C)SCCCCB(O)O 62a_100000758301_200009817182 [0,2,0,0,0,0|2,0,0]=4 13887 B11R0.111 CCC(C)SCCCCB(O)O 62a_200009817182_100000758301 [0,2,0,0,0,0|2,0,0]=4 13888 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,2,0,0,0,0|0,0,2]=4 13889 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,2,0,0,0,0|0,0,2]=4 13890 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,2,0,0,0,0|1,0,0]=3 13891 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,2,0,0,0,0|1,0,0]=3 13892 B11R0.111 CCC(C)SCCCCN(C)C 62a_100000758301_100000690147 [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,2,0,0,0,0|1,0,0]=3 13894 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,2,0,0,0,0|1,0,0]=3 13895 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,2,0,0,0,0|1,0,0]=3 13896 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,2,0,0,0,0|0,0,0]=2 13897 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,2,0,0,0,0|1,0,1]=4 13898 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100000701111_100011218378 [0,2,0,0,0,0|2,0,0]=4 13899 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100011218483_100000211751 [0,2,0,0,0,0|2,0,0]=4 13900 B11R0.111 CCC(O)CNCCOC(C)C 34a_100000701111_100011218378 [0,2,0,0,0,0|2,0,0]=4 13901 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100000731138_100011218378 [0,2,0,0,0,0|2,0,0]=4 13902 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100011218483_100000730970 [0,2,0,0,0,0|2,0,0]=4 13903 B11R0.111 CCC(O)CNCCSC(C)C 34a_100000731138_100011218378 [0,2,0,0,0,0|2,0,0]=4 13904 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|0,0,2]=4 13905 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|0,0,2]=4 13906 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,2,0,0,0,0|1,0,0]=3 13907 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,2,0,0,0,0|1,0,0]=3 13908 B11R0.111 CCC(O)COCCNC(C)C 34a_100000224655_100011218378 [0,2,0,0,0,0|2,0,0]=4 13909 B11R0.111 CCC(O)COCCOC(C)C 34a_100000211219_100011218378 [0,2,0,0,0,0|2,0,0]=4 13910 B11R0.111 CCC(O)COCCOC(C)C 7a_100000211219_100011218378 [0,2,0,0,0,0|2,0,0]=4 13911 B11R0.111 CCC(O)COCCSC(C)C 34a_200011212901_100011218378 [0,2,0,0,0,0|2,0,0]=4 13912 B11R0.111 CCC(O)COCCSC(C)C 7a_200011212901_100011218378 [0,2,0,0,0,0|2,0,0]=4 13913 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|0,0,2]=4 13914 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|0,0,2]=4 13915 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,2,0,0,0,0|1,0,0]=3 13916 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,2,0,0,0,0|1,0,0]=3 13917 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,2,0,0,0,0|0,0,0]=2 13918 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,2,0,0,0,0|0,0,0]=2 13919 B11R0.111 CCC(O)CSCCCN(C)C 62a_100011218378_100000757444 [0,2,0,0,0,0|2,0,0]=4 13920 B11R0.111 CCC(O)CSCCOC(C)C 62a_100000211751_100011218378 [0,2,0,0,0,0|2,0,0]=4 13921 B11R0.111 CCC(O)CSCCOC(C)C 62a_100011218378_100000211751 [0,2,0,0,0,0|2,0,0]=4 13922 B11R0.111 CCC(O)CSCCSC(C)C 62a_100000730970_100011218378 [0,2,0,0,0,0|2,0,0]=4 13923 B11R0.111 CCC(O)CSCCSC(C)C 62a_100011218378_100000730970 [0,2,0,0,0,0|2,0,0]=4 13924 B11R0.111 CCN(C)CCCCCB(O)O 2230a_100000225621_200009817188 [0,2,0,0,0,0|2,0,0]=4 13925 B11R0.111 CCN(C)CCCCCB(O)O 269982a_100000225621_200009817188 [0,2,0,0,0,0|2,0,0]=4 13926 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,2,0,0,0,0|1,0,0]=3 13927 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,2,0,0,0,0|1,0,0]=3 13928 B11R0.111 CCN(C)CCCNCC(C)C 2230a_100000210953_100015186262 [0,2,0,0,0,0|2,0,0]=4 13929 B11R0.111 CCN(C)CCCNCC(C)O 2230a_100000210904_100015186262 [0,2,0,0,0,0|1,0,0]=3 13930 B11R0.111 CCN(C)CCCSCC(C)C 62a_100000210624_100015186262 [0,2,0,0,0,0|2,0,0]=4 13931 B11R0.111 CCN(C)CCCSCC(C)O 62a_100011218427_100015186262 [0,2,0,0,0,0|1,0,0]=3 13932 B11R0.111 CCN(C)CCCSC[C@@H](C)O 62a_100009817552_100015186262 [0,2,0,0,0,0|1,0,0]=3 13933 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,2,0,0,0,0|1,0,0]=3 13934 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,2,0,0,0,0|1,0,0]=3 13935 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,2,0,0,0,0|1,0,1]=4 13936 B11R0.111 CC[C@H](C)CNCCOC(C)C 2230a_100000701111_100009816398 [0,2,0,0,0,0|2,0,0]=4 13937 B11R0.111 CC[C@H](C)CNCCOC(C)C 34a_100000701111_100009816398 [0,2,0,0,0,0|2,0,0]=4 13938 B11R0.111 CC[C@H](C)CNCCSC(C)C 2230a_100000731138_100009816398 [0,2,0,0,0,0|2,0,0]=4 13939 B11R0.111 CC[C@H](C)CNCCSC(C)C 34a_100000731138_100009816398 [0,2,0,0,0,0|2,0,0]=4 13940 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,2,0,0,0,0|0,0,2]=4 13941 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,2,0,0,0,0|0,0,2]=4 13942 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,2,0,0,0,0|0,0,2]=4 13943 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,2,0,0,0,0|1,0,0]=3 13944 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,2,0,0,0,0|1,0,0]=3 13945 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,2,0,0,0,0|1,0,0]=3 13946 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,2,0,0,0,0|0,0,0]=2 13947 B11R0.111 CC[C@H](C)COCCCN(C)C 7a_100009816381_100000757444 [0,2,0,0,0,0|2,0,0]=4 13948 B11R0.111 CC[C@H](C)COCCNC(C)C 34a_100000224655_100009816398 [0,2,0,0,0,0|2,0,0]=4 13949 B11R0.111 CC[C@H](C)COCCOC(C)C 34a_100000211219_100009816398 [0,2,0,0,0,0|2,0,0]=4 13950 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100000211219_100009816398 [0,2,0,0,0,0|2,0,0]=4 13951 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100009816381_100000211751 [0,2,0,0,0,0|2,0,0]=4 13952 B11R0.111 CC[C@H](C)COCCSC(C)C 34a_200011212901_100009816398 [0,2,0,0,0,0|2,0,0]=4 13953 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_100009816381_100000730970 [0,2,0,0,0,0|2,0,0]=4 13954 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_200011212901_100009816398 [0,2,0,0,0,0|2,0,0]=4 13955 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,2,0,0,0,0|0,0,2]=4 13956 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,2,0,0,0,0|0,0,2]=4 13957 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,2,0,0,0,0|1,0,0]=3 13958 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,2,0,0,0,0|1,0,0]=3 13959 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,2,0,0,0,0|0,0,0]=2 13960 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,2,0,0,0,0|0,0,0]=2 13961 B11R0.111 CC[C@H](C)CSCCCN(C)C 62a_100009816398_100000757444 [0,2,0,0,0,0|2,0,0]=4 13962 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100000211751_100009816398 [0,2,0,0,0,0|2,0,0]=4 13963 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100009816398_100000211751 [0,2,0,0,0,0|2,0,0]=4 13964 B11R0.111 CC[C@H](C)CSCCSC(C)C 62a_100000730970_100009816398 [0,2,0,0,0,0|2,0,0]=4 13965 B11R0.111 CC[C@H](C)CSCCSC(C)C 62a_100009816398_100000730970 [0,2,0,0,0,0|2,0,0]=4 13966 B11R0.111 CN(C)CCCSCC(O)CO 62a_100011219619_100000757444 [0,2,0,0,0,0|2,0,0]=4 13967 B11R0.111 CN(C)CCCSC[C@@H](O)CF 62a_100015614560_100000757444 [0,2,0,0,0,0|2,0,0]=4 13968 B11R0.111 CN(C)CCCSC[C@@H](O)CO 62a_100009815848_100000757444 [0,2,0,0,0,0|2,0,0]=4 13969 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,2,0,0,0,0|0,0,2]=4 13970 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,2,0,0,0,0|0,0,2]=4 13971 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,2,0,0,0,0|0,0,2]=4 13972 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,2,0,0,0,0|0,0,2]=4 13973 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [0,2,0,0,0,0|1,0,1]=4 13974 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [0,2,0,0,0,0|1,0,1]=4 13975 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [0,2,0,0,0,0|1,0,1]=4 13976 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [0,2,0,0,0,0|1,0,1]=4 13977 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [0,2,0,0,0,0|1,0,1]=4 13978 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [0,2,0,0,0,0|1,0,1]=4 13979 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [0,2,0,0,0,0|1,0,1]=4 13980 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [0,2,0,0,0,0|1,0,1]=4 13981 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [0,2,0,0,0,0|1,0,1]=4 13982 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [0,2,0,0,0,0|1,0,1]=4 13983 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [0,2,0,0,0,0|1,0,1]=4 13984 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [0,2,0,0,0,0|1,0,1]=4 13985 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [0,2,0,0,0,0|1,0,1]=4 13986 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,2,0,0,0,0|1,0,1]=4 13987 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,2,0,0,0,0|1,0,1]=4 13988 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,2,0,0,0,0|1,0,1]=4 13989 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,2,0,0,0,0|1,0,1]=4 13990 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,2,0,0,0,0|1,0,1]=4 13991 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,2,0,0,0,0|1,0,1]=4 13992 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,2,0,0,0,0|1,0,1]=4 13993 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,2,0,0,0,0|1,0,1]=4 13994 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,2,0,0,0,0|1,0,1]=4 13995 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,2,0,0,0,0|1,0,1]=4 13996 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,2,0,0,0,0|1,0,1]=4 13997 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,2,0,0,0,0|1,0,1]=4 13998 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,2,0,0,0,0|1,0,1]=4 13999 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,2,0,0,0,0|1,0,1]=4 14000 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,2,0,0,0,0|1,0,1]=4 14001 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,2,0,0,0,0|1,0,1]=4 14002 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,2,0,0,0,0|1,0,1]=4 14003 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,2,0,0,0,0|1,0,1]=4 14004 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,2,0,0,0,0|1,0,1]=4 14005 B11R0.111 COC(C)CCOCCC(C)C 7a_100000764861_100000210626 [0,2,0,0,0,0|1,0,0]=3 14006 B11R0.111 COC(C)CCOCCC(C)O 7a_100000764861_100012276601 [0,2,0,0,0,0|1,0,0]=3 14007 B11R0.111 COC(C)CCOCCN(C)C 7a_100000764861_100000755713 [0,2,0,0,0,0|2,0,0]=4 14008 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,2,0,0,0,0|1,0,1]=4 14009 B11R0.111 COC(C)COCCCC(C)C 34a_100000690652_100011214892 [0,2,0,0,0,0|1,0,0]=3 14010 B11R0.111 COC(C)COCCCC(C)O 34a_100000690652_200000718107 [0,2,0,0,0,0|1,0,0]=3 14011 B11R0.111 COC(C)COCCOC(C)C 34a_100000690652_100000211751 [0,2,0,0,0,0|2,0,0]=4 14012 B11R0.111 COC(C)COCCSC(C)C 34a_100000690652_100000730970 [0,2,0,0,0,0|2,0,0]=4 14013 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [0,2,0,0,0,0|1,0,1]=4 14014 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [0,2,0,0,0,0|1,0,1]=4 14015 B11R0.111 COC(C)SCCCCC(C)C 62a_100009879195_100011216152 [0,2,0,0,0,0|1,0,0]=3 14016 B11R0.111 COC(C)SCCCCC(C)C 62a_100011216152_100009879195 [0,2,0,0,0,0|1,0,0]=3 14017 B11R0.111 COC(C)SCCCCN(C)C 62a_100009879195_100000690147 [0,2,0,0,0,0|2,0,0]=4 14018 B11R0.111 CO[C@H](C)CNCCCC(C)C 2230a_100020591295_100011214892 [0,2,0,0,0,0|1,0,0]=3 14019 B11R0.111 CO[C@H](C)CNCCCC(C)O 2230a_100020591295_200000718107 [0,2,0,0,0,0|1,0,0]=3 14020 B11R0.111 CO[C@H](C)CNCCOC(C)C 2230a_100020591295_100000211751 [0,2,0,0,0,0|2,0,0]=4 14021 B11R0.111 CO[C@H](C)CNCCSC(C)C 2230a_100020591295_100000730970 [0,2,0,0,0,0|2,0,0]=4 14022 B11R0.111 CS(=O)CCCNCC(O)CO 2230a_200000753449_100011219619 [0,2,0,0,0,0|2,0,0]=4 14023 B11R0.111 CS(=O)CCCNC[C@@H](O)CF 2230a_200000753449_100015614560 [0,2,0,0,0,0|2,0,0]=4 14024 B11R0.111 CS(=O)CCCNC[C@@H](O)CO 2230a_200000753449_100009815848 [0,2,0,0,0,0|2,0,0]=4 14025 B11R0.111 C[C@@H](CN)CCCOC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|1,0,0]=3 14026 B11R0.111 C[C@@H](CO)CNCCCS(=O)C 2230a_200000753449_100000059175 [0,2,0,0,0,0|2,0,0]=4 14027 B11R0.111 C[C@@H](CO)CSCCCN(C)C 62a_100000059175_100000757444 [0,2,0,0,0,0|2,0,0]=4 14028 B11R0.111 C[C@H](CO)SCCCCN(C)C 62a_100016084084_100000690147 [0,2,0,0,0,0|2,0,0]=4 14029 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,2,0,0,0,0|0,0,2]=4 14030 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,2,0,0,0,0|0,0,2]=4 14031 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,2,0,0,0,0|0,0,2]=4 14032 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,2,0,0,0,0|2,0,0]=4 14033 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,2,0,0,0,0|2,0,0]=4 14034 B11R0.148 C#CCCCCCCNC(C)C 2230a_100138425928_100012276617 [0,2,0,0,0,0|1,0,1]=4 14035 B11R0.148 C#CCCCCCCNC(C)C 34a_100138425928_100012276617 [0,2,0,0,0,0|1,0,1]=4 14036 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,2,0,0,0,0|1,0,1]=4 14037 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,2,0,0,0,0|1,0,1]=4 14038 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,2,0,0,0,0|1,0,1]=4 14039 B11R0.148 C#CCCCCCCSC(C)C 62a_100000210206_100012276617 [0,2,0,0,0,0|1,0,1]=4 14040 B11R0.148 C#CCCCCCCSC(C)C 62a_100012276617_100000210206 [0,2,0,0,0,0|1,0,1]=4 14041 B11R0.148 C#CCCCCCNCC(C)C 2230a_100000210953_100012094781 [0,2,0,0,0,0|1,0,1]=4 14042 B11R0.148 C#CCCCCCNCC(C)C 34a_100000210953_100012094781 [0,2,0,0,0,0|1,0,1]=4 14043 B11R0.148 C#CCCCCCNCC(C)O 2230a_100000210904_100012094781 [0,2,0,0,0,0|0,0,1]=3 14044 B11R0.148 C#CCCCCCNCC(C)O 34a_100000210904_100012094781 [0,2,0,0,0,0|0,0,1]=3 14045 B11R0.148 C#CCCCCCOCC(C)Br 34a_100012180447_100012094781 [0,2,0,0,0,0|1,0,1]=4 14046 B11R0.148 C#CCCCCCOCC(C)C 34a_100000210257_100012094781 [0,2,0,0,0,0|1,0,1]=4 14047 B11R0.148 C#CCCCCCOCC(C)C 34a_100000766912_100000210624 [0,2,0,0,0,0|1,0,1]=4 14048 B11R0.148 C#CCCCCCOCC(C)C 7a_100000766912_100000210760 [0,2,0,0,0,0|1,0,1]=4 14049 B11R0.148 C#CCCCCCOCC(C)F 34a_100015925927_100012094781 [0,2,0,0,0,0|1,0,1]=4 14050 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [0,2,0,0,0,0|0,0,1]=3 14051 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [0,2,0,0,0,0|0,0,1]=3 14052 B11R0.148 C#CCCCCCOC[C@@H](C)Cl 34a_100016084084_100012094781 [0,2,0,0,0,0|1,0,1]=4 14053 B11R0.148 C#CCCCCCOC[C@@H](C)N 34a_100000737577_100012094781 [0,2,0,0,0,0|1,0,1]=4 14054 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [0,2,0,0,0,0|0,0,1]=3 14055 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [0,2,0,0,0,0|0,0,1]=3 14056 B11R0.148 C#CCCCCCSCC(C)C 62a_100000210624_100012094781 [0,2,0,0,0,0|1,0,1]=4 14057 B11R0.148 C#CCCCCCSCC(C)C 62a_100012094781_100000210760 [0,2,0,0,0,0|1,0,1]=4 14058 B11R0.148 C#CCCCCCSCC(C)O 62a_100011218427_100012094781 [0,2,0,0,0,0|0,0,1]=3 14059 B11R0.148 C#CCCCCCSCC(C)O 62a_100012094781_100011218427 [0,2,0,0,0,0|0,0,1]=3 14060 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100009817552_100012094781 [0,2,0,0,0,0|0,0,1]=3 14061 B11R0.148 C#CCCCCCSC[C@@H](C)O 62a_100012094781_100009817552 [0,2,0,0,0,0|0,0,1]=3 14062 B11R0.148 C#CCCCCNCCC(C)C 2230a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 14063 B11R0.148 C#CCCCCNCCC(C)C 34a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 14064 B11R0.148 C#CCCCCNCCC(C)O 2230a_100000706060_100012276601 [0,2,0,0,0,0|0,0,1]=3 14065 B11R0.148 C#CCCCCNCCC(C)O 2230a_200000755665_100010269958 [0,2,0,0,0,0|0,0,1]=3 14066 B11R0.148 C#CCCCCNCCC(C)O 34a_100000706060_100012276601 [0,2,0,0,0,0|0,0,1]=3 14067 B11R0.148 C#CCCCCOCCC(C)Br 34a_100009893172_100010269958 [0,2,0,0,0,0|1,0,1]=4 14068 B11R0.148 C#CCCCCOCCC(C)C 34a_100000210254_100010269958 [0,2,0,0,0,0|1,0,1]=4 14069 B11R0.148 C#CCCCCOCCC(C)C 34a_100000766709_100000210312 [0,2,0,0,0,0|1,0,1]=4 14070 B11R0.148 C#CCCCCOCCC(C)C 7a_100000210254_100010269958 [0,2,0,0,0,0|1,0,1]=4 14071 B11R0.148 C#CCCCCOCCC(C)C 7a_100000766709_100000210626 [0,2,0,0,0,0|1,0,1]=4 14072 B11R0.148 C#CCCCCOCCC(C)O 34a_100000766709_100012276601 [0,2,0,0,0,0|0,0,1]=3 14073 B11R0.148 C#CCCCCOCCC(C)O 7a_100000766709_100012276601 [0,2,0,0,0,0|0,0,1]=3 14074 B11R0.148 C#CCCCCOCC[C@@H](C)N 34a_100000706166_100010269958 [0,2,0,0,0,0|1,0,1]=4 14075 B11R0.148 C#CCCCCSCCC(C)C 62a_100000210312_100010269958 [0,2,0,0,0,0|1,0,1]=4 14076 B11R0.148 C#CCCCCSCCC(C)C 62a_100010269958_100000210312 [0,2,0,0,0,0|1,0,1]=4 14077 B11R0.148 C#CCCCCSCCC(C)O 62a_100010269958_100012276601 [0,2,0,0,0,0|0,0,1]=3 14078 B11R0.148 C#CCCCCSCCC(C)O 62a_100012276601_100010269958 [0,2,0,0,0,0|0,0,1]=3 14079 B11R0.148 C#CCCCNCCCC(C)C 2230a_200000737386_100000731252 [0,2,0,0,0,0|1,0,1]=4 14080 B11R0.148 C#CCCCNCCCC(C)C 34a_100000718082_100011214892 [0,2,0,0,0,0|1,0,1]=4 14081 B11R0.148 C#CCCCNCCCC(C)C 34a_200000737386_100000695029 [0,2,0,0,0,0|1,0,1]=4 14082 B11R0.148 C#CCCCNCCCC(C)O 34a_100000718082_200000718107 [0,2,0,0,0,0|0,0,1]=3 14083 B11R0.148 C#CCCCOCCCC(C)C 34a_100000210774_100000695029 [0,2,0,0,0,0|1,0,1]=4 14084 B11R0.148 C#CCCCOCCCC(C)C 34a_100000215630_100011214892 [0,2,0,0,0,0|1,0,1]=4 14085 B11R0.148 C#CCCCOCCCC(C)C 7a_100000210774_100011215417 [0,2,0,0,0,0|1,0,1]=4 14086 B11R0.148 C#CCCCOCCCC(C)C 7a_100000215630_100011214892 [0,2,0,0,0,0|1,0,1]=4 14087 B11R0.148 C#CCCCOCCCC(C)O 34a_100000215630_200000718107 [0,2,0,0,0,0|0,0,1]=3 14088 B11R0.148 C#CCCCOCCCC(C)O 7a_100000215630_200000718107 [0,2,0,0,0,0|0,0,1]=3 14089 B11R0.148 C#CCCCSCCCC(C)C 62a_100011214892_100011215417 [0,2,0,0,0,0|1,0,1]=4 14090 B11R0.148 C#CCCCSCCCC(C)C 62a_100011215417_100011214892 [0,2,0,0,0,0|1,0,1]=4 14091 B11R0.148 C#CCCCSCCCC(C)O 62a_100011215417_200000718107 [0,2,0,0,0,0|0,0,1]=3 14092 B11R0.148 C#CCCCSCCCC(C)O 62a_200000718107_100011215417 [0,2,0,0,0,0|0,0,1]=3 14093 B11R0.148 C#CCCNCCCCC(C)C 34a_100000755551_100011216152 [0,2,0,0,0,0|1,0,1]=4 14094 B11R0.148 C#CCCOCCCCC(C)C 34a_100011214890_100000688953 [0,2,0,0,0,0|1,0,1]=4 14095 B11R0.148 C#CCCOCCCCC(C)C 34a_100011215631_100011216152 [0,2,0,0,0,0|1,0,1]=4 14096 B11R0.148 C#CCCOCCCCC(C)C 7a_100011214890_100000688953 [0,2,0,0,0,0|1,0,1]=4 14097 B11R0.148 C#CCCSCCCCC(C)C 62a_100000688953_100011216152 [0,2,0,0,0,0|1,0,1]=4 14098 B11R0.148 C#CCCSCCCCC(C)C 62a_100011216152_100000688953 [0,2,0,0,0,0|1,0,1]=4 14099 B11R0.148 C#CCNCCCCCC(C)C 2230a_100011290863_100000038162 [0,2,0,0,0,0|1,0,1]=4 14100 B11R0.148 C#CCNCCCCCC(C)C 34a_100000212058_100000210682 [0,2,0,0,0,0|1,0,1]=4 14101 B11R0.148 C#CCNCCCCCC(C)C 34a_100011290863_100000184674 [0,2,0,0,0,0|1,0,1]=4 14102 B11R0.148 C#CCOCCCCCC(C)C 34a_100000210247_100000210682 [0,2,0,0,0,0|1,0,1]=4 14103 B11R0.148 C#CCOCCCCCC(C)C 34a_100011995859_100000184674 [0,2,0,0,0,0|1,0,1]=4 14104 B11R0.148 C#CCOCCCCCC(C)C 7a_100011995859_100000038162 [0,2,0,0,0,0|1,0,1]=4 14105 B11R0.148 C#CCOCCNCCC(C)O 2230a_100000700922_100012276601 [0,2,0,0,0,0|0,0,2]=4 14106 B11R0.148 C#CCOCCNCCC(C)O 2230a_200000755665_100010402529 [0,2,0,0,0,0|0,0,2]=4 14107 B11R0.148 C#CCOCCNCCC(C)O 34a_100000700922_100012276601 [0,2,0,0,0,0|0,0,2]=4 14108 B11R0.148 C#CCOCCOCCC(C)O 34a_100000054580_100012276601 [0,2,0,0,0,0|0,0,2]=4 14109 B11R0.148 C#CCOCCOCCC(C)O 7a_100000054580_100012276601 [0,2,0,0,0,0|0,0,2]=4 14110 B11R0.148 C#CCOCCSCCC(C)O 62a_100010402529_100012276601 [0,2,0,0,0,0|0,0,2]=4 14111 B11R0.148 C#CCOCCSCCC(C)O 62a_100012276601_100010402529 [0,2,0,0,0,0|0,0,2]=4 14112 B11R0.148 C#CCSCCCCCC(C)C 62a_100000038162_100000210682 [0,2,0,0,0,0|1,0,1]=4 14113 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [0,2,0,0,0,0|1,0,1]=4 14114 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|0,0,1]=3 14115 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [0,2,0,0,0,0|1,0,1]=4 14116 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [0,2,0,0,0,0|1,0,1]=4 14117 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [0,2,0,0,0,0|1,0,1]=4 14118 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100011216152_100102629194 [0,2,0,0,0,0|1,0,1]=4 14119 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100102629194_100011216152 [0,2,0,0,0,0|1,0,1]=4 14120 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,2,0,0,0,0|1,0,1]=4 14121 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 14122 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 14123 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,2,0,0,0,0|1,0,1]=4 14124 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,2,0,0,0,0|1,0,1]=4 14125 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,2,0,0,0,0|1,0,1]=4 14126 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,2,0,0,0,0|1,0,1]=4 14127 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,2,0,0,0,0|1,0,1]=4 14128 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,2,0,0,0,0|1,0,1]=4 14129 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,2,0,0,0,0|1,0,1]=4 14130 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,2,0,0,0,0|1,0,1]=4 14131 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,2,0,0,0,0|1,0,1]=4 14132 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,2,0,0,0,0|1,0,1]=4 14133 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,2,0,0,0,0|1,0,1]=4 14134 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,2,0,0,0,0|1,0,1]=4 14135 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,2,0,0,0,0|1,0,1]=4 14136 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,2,0,0,0,0|1,0,1]=4 14137 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,2,0,0,0,0|1,0,1]=4 14138 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 14139 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|1,0,1]=4 14140 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,2,0,0,0,0|1,0,1]=4 14141 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,2,0,0,0,0|1,0,1]=4 14142 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,2,0,0,0,0|1,0,1]=4 14143 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,2,0,0,0,0|1,0,1]=4 14144 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,2,0,0,0,0|1,0,1]=4 14145 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,2,0,0,0,0|1,0,1]=4 14146 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,2,0,0,0,0|1,0,1]=4 14147 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,2,0,0,0,0|1,0,1]=4 14148 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,2,0,0,0,0|1,0,1]=4 14149 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,2,0,0,0,0|1,0,1]=4 14150 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,2,0,0,0,0|1,0,1]=4 14151 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,2,0,0,0,0|1,0,1]=4 14152 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,2,0,0,0,0|1,0,1]=4 14153 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,2,0,0,0,0|1,0,1]=4 14154 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,2,0,0,0,0|1,0,1]=4 14155 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,2,0,0,0,0|1,0,1]=4 14156 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,2,0,0,0,0|1,0,1]=4 14157 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,2,0,0,0,0|1,0,1]=4 14158 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,2,0,0,0,0|1,0,1]=4 14159 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,2,0,0,0,0|1,0,1]=4 14160 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,2,0,0,0,0|1,0,1]=4 14161 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,2,0,0,0,0|1,0,1]=4 14162 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,2,0,0,0,0|1,0,1]=4 14163 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,2,0,0,0,0|1,0,1]=4 14164 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,2,0,0,0,0|1,0,1]=4 14165 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,2,0,0,0,0|1,0,1]=4 14166 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,2,0,0,0,0|1,0,1]=4 14167 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,2,0,0,0,0|1,0,1]=4 14168 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,2,0,0,0,0|1,0,1]=4 14169 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,2,0,0,0,0|1,0,1]=4 14170 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,2,0,0,0,0|1,0,1]=4 14171 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,2,0,0,0,0|1,0,1]=4 14172 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,2,0,0,0,0|1,0,1]=4 14173 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,2,0,0,0,0|1,0,1]=4 14174 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,2,0,0,0,0|1,0,1]=4 14175 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,2,0,0,0,0|1,0,1]=4 14176 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,2,0,0,0,0|1,0,1]=4 14177 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,2,0,0,0,0|1,0,1]=4 14178 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,2,0,0,0,0|1,0,1]=4 14179 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,2,0,0,0,0|1,0,1]=4 14180 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,2,0,0,0,0|1,0,1]=4 14181 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,2,0,0,0,0|1,0,1]=4 14182 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,2,0,0,0,0|1,0,1]=4 14183 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,2,0,0,0,0|1,0,1]=4 14184 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,2,0,0,0,0|1,0,1]=4 14185 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,2,0,0,0,0|1,0,1]=4 14186 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,2,0,0,0,0|1,0,1]=4 14187 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,2,0,0,0,0|1,0,1]=4 14188 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,2,0,0,0,0|1,0,1]=4 14189 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,2,0,0,0,0|1,0,1]=4 14190 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,2,0,0,0,0|1,0,1]=4 14191 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,2,0,0,0,0|1,0,1]=4 14192 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,2,0,0,0,0|1,0,1]=4 14193 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,2,0,0,0,0|1,0,1]=4 14194 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,2,0,0,0,0|1,0,1]=4 14195 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,2,0,0,0,0|1,0,1]=4 14196 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,2,0,0,0,0|1,0,1]=4 14197 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,2,0,0,0,0|1,0,1]=4 14198 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,2,0,0,0,0|1,0,1]=4 14199 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,2,0,0,0,0|1,0,1]=4 14200 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,2,0,0,0,0|1,0,1]=4 14201 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,2,0,0,0,0|1,0,1]=4 14202 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,2,0,0,0,0|1,0,1]=4 14203 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,2,0,0,0,0|0,0,2]=4 14204 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,2,0,0,0,0|0,0,2]=4 14205 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,2,0,0,0,0|0,0,2]=4 14206 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,2,0,0,0,0|2,0,0]=4 14207 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,2,0,0,0,0|2,0,0]=4 14208 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,2,0,0,0,0|1,0,1]=4 14209 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,2,0,0,0,0|1,0,1]=4 14210 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,2,0,0,0,0|1,0,1]=4 14211 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,2,0,0,0,0|1,0,1]=4 14212 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,2,0,0,0,0|1,0,1]=4 14213 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,2,0,0,0,0|1,0,1]=4 14214 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,2,0,0,0,0|1,0,1]=4 14215 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,2,0,0,0,0|1,0,1]=4 14216 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,2,0,0,0,0|1,0,1]=4 14217 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,2,0,0,0,0|0,0,1]=3 14218 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,2,0,0,0,0|0,0,1]=3 14219 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,2,0,0,0,0|1,0,1]=4 14220 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,2,0,0,0,0|1,0,1]=4 14221 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,2,0,0,0,0|1,0,1]=4 14222 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,2,0,0,0,0|1,0,1]=4 14223 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,2,0,0,0,0|1,0,1]=4 14224 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,2,0,0,0,0|0,0,1]=3 14225 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,2,0,0,0,0|0,0,1]=3 14226 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,2,0,0,0,0|1,0,1]=4 14227 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,2,0,0,0,0|1,0,1]=4 14228 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,2,0,0,0,0|0,0,1]=3 14229 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,2,0,0,0,0|0,0,1]=3 14230 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,2,0,0,0,0|1,0,1]=4 14231 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,2,0,0,0,0|1,0,1]=4 14232 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,2,0,0,0,0|0,0,1]=3 14233 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,2,0,0,0,0|0,0,1]=3 14234 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,2,0,0,0,0|0,0,1]=3 14235 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,2,0,0,0,0|0,0,1]=3 14236 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 14237 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,2,0,0,0,0|1,0,1]=4 14238 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 14239 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,2,0,0,0,0|0,0,1]=3 14240 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,2,0,0,0,0|0,0,1]=3 14241 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,2,0,0,0,0|0,0,1]=3 14242 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,2,0,0,0,0|1,0,1]=4 14243 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,2,0,0,0,0|1,0,1]=4 14244 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,2,0,0,0,0|1,0,1]=4 14245 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,2,0,0,0,0|1,0,1]=4 14246 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,2,0,0,0,0|1,0,1]=4 14247 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,2,0,0,0,0|0,0,1]=3 14248 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,2,0,0,0,0|0,0,1]=3 14249 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,2,0,0,0,0|1,0,1]=4 14250 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,2,0,0,0,0|1,0,1]=4 14251 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,2,0,0,0,0|1,0,1]=4 14252 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,2,0,0,0,0|0,0,1]=3 14253 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,2,0,0,0,0|0,0,1]=3 14254 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 14255 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,2,0,0,0,0|1,0,1]=4 14256 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 14257 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,2,0,0,0,0|1,0,1]=4 14258 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,2,0,0,0,0|0,0,1]=3 14259 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,2,0,0,0,0|0,0,1]=3 14260 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,2,0,0,0,0|1,0,1]=4 14261 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,2,0,0,0,0|1,0,1]=4 14262 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,2,0,0,0,0|1,0,1]=4 14263 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,2,0,0,0,0|1,0,1]=4 14264 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,2,0,0,0,0|0,0,1]=3 14265 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,2,0,0,0,0|0,0,1]=3 14266 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,2,0,0,0,0|1,0,1]=4 14267 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,2,0,0,0,0|1,0,1]=4 14268 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,2,0,0,0,0|0,0,1]=3 14269 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,2,0,0,0,0|0,0,1]=3 14270 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,2,0,0,0,0|1,0,1]=4 14271 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,2,0,0,0,0|1,0,1]=4 14272 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,2,0,0,0,0|1,0,1]=4 14273 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,2,0,0,0,0|1,0,1]=4 14274 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,2,0,0,0,0|1,0,1]=4 14275 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,2,0,0,0,0|1,0,1]=4 14276 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,2,0,0,0,0|1,0,1]=4 14277 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,2,0,0,0,0|1,0,1]=4 14278 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,2,0,0,0,0|1,0,1]=4 14279 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,2,0,0,0,0|1,0,1]=4 14280 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,2,0,0,0,0|1,0,1]=4 14281 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,2,0,0,0,0|1,0,1]=4 14282 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,2,0,0,0,0|0,0,2]=4 14283 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,2,0,0,0,0|0,0,2]=4 14284 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,2,0,0,0,0|1,0,1]=4 14285 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,2,0,0,0,0|1,0,1]=4 14286 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [0,2,0,0,0,0|0,0,2]=4 14287 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [0,2,0,0,0,0|0,0,2]=4 14288 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [0,2,0,0,0,0|0,0,2]=4 14289 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [0,2,0,0,0,0|0,0,2]=4 14290 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [0,2,0,0,0,0|0,0,2]=4 14291 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [0,2,0,0,0,0|0,0,2]=4 14292 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,2,0,0,0,0|0,0,2]=4 14293 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [0,2,0,0,0,0|0,0,2]=4 14294 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [0,2,0,0,0,0|0,0,2]=4 14295 B11R0.148 CC#CCCOCCCC(C)C 34a_100000750427_100011214892 [0,2,0,0,0,0|1,0,1]=4 14296 B11R0.148 CC#CCCOCCCC(C)O 34a_100000750427_200000718107 [0,2,0,0,0,0|0,0,1]=3 14297 B11R0.148 CC#CCNCCCCC(C)C 2230a_100000685387_100011216152 [0,2,0,0,0,0|1,0,1]=4 14298 B11R0.148 CC#CCNCCCCC(C)C 34a_100000685387_100011216152 [0,2,0,0,0,0|1,0,1]=4 14299 B11R0.148 CC#CCOCCCCC(C)C 34a_100000761923_100011216152 [0,2,0,0,0,0|1,0,1]=4 14300 B11R0.148 CC#CCOCCCCC(C)C 34a_100011214890_100000748600 [0,2,0,0,0,0|1,0,1]=4 14301 B11R0.148 CC#CCOCCCCC(C)C 7a_100011214890_100000748600 [0,2,0,0,0,0|1,0,1]=4 14302 B11R0.148 CC#CCSCCCCC(C)C 62a_100000748600_100011216152 [0,2,0,0,0,0|1,0,1]=4 14303 B11R0.148 CC#CCSCCCCC(C)C 62a_100011216152_100000748600 [0,2,0,0,0,0|1,0,1]=4 14304 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,2]=4 14305 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|0,0,2]=4 14306 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|0,0,2]=4 14307 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|0,0,2]=4 14308 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|0,0,2]=4 14309 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|0,0,2]=4 14310 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|0,0,2]=4 14311 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|0,0,2]=4 14312 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|0,0,2]=4 14313 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|0,0,2]=4 14314 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|0,0,2]=4 14315 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|0,0,2]=4 14316 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|0,0,2]=4 14317 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|0,0,2]=4 14318 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|0,0,2]=4 14319 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|0,0,2]=4 14320 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|0,0,2]=4 14321 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|0,0,2]=4 14322 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|0,0,2]=4 14323 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|0,0,2]=4 14324 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|0,0,2]=4 14325 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|0,0,2]=4 14326 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|0,0,2]=4 14327 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|0,0,2]=4 14328 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|0,0,2]=4 14329 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|0,0,2]=4 14330 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|0,0,2]=4 14331 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|0,0,2]=4 14332 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|0,0,2]=4 14333 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|0,0,2]=4 14334 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|0,0,2]=4 14335 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|0,0,2]=4 14336 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|0,0,2]=4 14337 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|0,0,2]=4 14338 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|0,0,2]=4 14339 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|0,0,2]=4 14340 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|0,0,2]=4 14341 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|0,0,2]=4 14342 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|0,0,2]=4 14343 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,2,0,0,0,0|0,0,2]=4 14344 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,2,0,0,0,0|0,0,2]=4 14345 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,2,0,0,0,0|0,0,2]=4 14346 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,2,0,0,0,0|1,0,0]=3 14347 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|1,0,0]=3 14348 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [0,2,0,0,0,0|2,0,0]=4 14349 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,2,0,0,0,0|1,0,0]=3 14350 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|1,0,0]=3 14351 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,2,0,0,0,0|1,0,0]=3 14352 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,2,0,0,0,0|1,0,0]=3 14353 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,2,0,0,0,0|1,0,0]=3 14354 B11R0.148 CC(C)CCCCCNCC#N 2230a_100011290863_100011215382 [0,2,0,0,0,0|1,0,1]=4 14355 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,2,0,0,0,0|1,0,1]=4 14356 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,2,0,0,0,0|1,0,1]=4 14357 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,2,0,0,0,0|1,0,0]=3 14358 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,2,0,0,0,0|1,0,0]=3 14359 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,2,0,0,0,0|1,0,0]=3 14360 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|1,0,0]=3 14361 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|1,0,0]=3 14362 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|1,0,0]=3 14363 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|1,0,0]=3 14364 B11R0.148 CC(C)CCCCCOCC#N 7a_100011995859_100011215382 [0,2,0,0,0,0|1,0,1]=4 14365 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,2,0,0,0,0|1,0,1]=4 14366 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,2,0,0,0,0|1,0,1]=4 14367 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,2,0,0,0,0|1,0,0]=3 14368 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,2,0,0,0,0|1,0,0]=3 14369 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,2,0,0,0,0|1,0,0]=3 14370 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,2,0,0,0,0|1,0,0]=3 14371 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|1,0,0]=3 14372 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|1,0,0]=3 14373 B11R0.148 CC(C)CCCCCSCC#N 62a_100000210682_100011215382 [0,2,0,0,0,0|1,0,1]=4 14374 B11R0.148 CC(C)CCCCCSCC#N 62a_100011215382_100000210682 [0,2,0,0,0,0|1,0,1]=4 14375 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,2,0,0,0,0|1,0,1]=4 14376 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,2,0,0,0,0|1,0,1]=4 14377 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,2,0,0,0,0|1,0,0]=3 14378 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,2,0,0,0,0|1,0,0]=3 14379 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,2,0,0,0,0|1,0,0]=3 14380 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,2,0,0,0,0|1,0,0]=3 14381 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,2,0,0,0,0|1,0,0]=3 14382 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,2,0,0,0,0|1,0,0]=3 14383 B11R0.148 CC(C)CCCCOCCC#N 7a_100011214890_100000184422 [0,2,0,0,0,0|1,0,1]=4 14384 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,2,0,0,0,0|1,0,0]=3 14385 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,2,0,0,0,0|1,0,0]=3 14386 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,2,0,0,0,0|1,0,0]=3 14387 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,2,0,0,0,0|1,0,0]=3 14388 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,2,0,0,0,0|1,0,0]=3 14389 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,2,0,0,0,0|1,0,0]=3 14390 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|1,0,0]=3 14391 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|1,0,0]=3 14392 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,2,0,0,0,0|2,0,0]=4 14393 B11R0.148 CC(C)CCCCSCCC#N 62a_100011215226_100011216152 [0,2,0,0,0,0|1,0,1]=4 14394 B11R0.148 CC(C)CCCCSCCC#N 62a_100011216152_100011215226 [0,2,0,0,0,0|1,0,1]=4 14395 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,2,0,0,0,0|1,0,0]=3 14396 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,2,0,0,0,0|1,0,0]=3 14397 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,2,0,0,0,0|1,0,0]=3 14398 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,2,0,0,0,0|1,0,0]=3 14399 B11R0.148 CC(C)CCCNCCCC#N 2230a_200000737386_100000687738 [0,2,0,0,0,0|1,0,1]=4 14400 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,2,0,0,0,0|1,0,1]=4 14401 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,2,0,0,0,0|1,0,0]=3 14402 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,2,0,0,0,0|1,0,0]=3 14403 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,2,0,0,0,0|1,0,0]=3 14404 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,2,0,0,0,0|1,0,0]=3 14405 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,2,0,0,0,0|1,0,0]=3 14406 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,2,0,0,0,0|1,0,0]=3 14407 B11R0.148 CC(C)CCCOCCCC#N 7a_100000210774_100000687738 [0,2,0,0,0,0|1,0,1]=4 14408 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,2,0,0,0,0|1,0,1]=4 14409 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,2,0,0,0,0|1,0,0]=3 14410 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,2,0,0,0,0|1,0,0]=3 14411 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,2,0,0,0,0|1,0,0]=3 14412 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,2,0,0,0,0|1,0,0]=3 14413 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,2,0,0,0,0|1,0,0]=3 14414 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,2,0,0,0,0|1,0,0]=3 14415 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,2,0,0,0,0|1,0,0]=3 14416 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,2,0,0,0,0|1,0,0]=3 14417 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,2,0,0,0,0|1,0,0]=3 14418 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,2,0,0,0,0|1,0,0]=3 14419 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,2,0,0,0,0|1,0,0]=3 14420 B11R0.148 CC(C)CCCSCCCC#N 62a_100000687738_100011214892 [0,2,0,0,0,0|1,0,1]=4 14421 B11R0.148 CC(C)CCCSCCCC#N 62a_100011214892_100000687738 [0,2,0,0,0,0|1,0,1]=4 14422 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,2,0,0,0,0|1,0,1]=4 14423 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,2,0,0,0,0|1,0,1]=4 14424 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,2,0,0,0,0|1,0,0]=3 14425 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,2,0,0,0,0|1,0,0]=3 14426 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,2,0,0,0,0|1,0,0]=3 14427 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,2,0,0,0,0|1,0,0]=3 14428 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,2,0,0,0,0|1,0,0]=3 14429 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,2,0,0,0,0|1,0,0]=3 14430 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,2,0,0,0,0|1,0,0]=3 14431 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 14432 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [0,2,0,0,0,0|2,0,0]=4 14433 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 14434 B11R0.148 CC(C)CCNCCSCCO 2230a_100011219999_100000210312 [0,2,0,0,0,0|2,0,0]=4 14435 B11R0.148 CC(C)CCNCCSCCO 269862a_100011219999_100000185833 [0,2,0,0,0,0|2,0,0]=4 14436 B11R0.148 CC(C)CCOCCCCC#N 7a_100000210254_100000211819 [0,2,0,0,0,0|1,0,1]=4 14437 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,2,0,0,0,0|1,0,1]=4 14438 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,2,0,0,0,0|1,0,0]=3 14439 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,2,0,0,0,0|1,0,0]=3 14440 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,2,0,0,0,0|1,0,0]=3 14441 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,2,0,0,0,0|1,0,0]=3 14442 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,2,0,0,0,0|1,0,0]=3 14443 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,2,0,0,0,0|1,0,0]=3 14444 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,2,0,0,0,0|1,0,0]=3 14445 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,2,0,0,0,0|1,0,0]=3 14446 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,2,0,0,0,0|1,0,0]=3 14447 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|1,0,0]=3 14448 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|1,0,0]=3 14449 B11R0.148 CC(C)CCOCCOCCBr 34a_100000692535_100000210312 [0,2,0,0,0,0|2,0,0]=4 14450 B11R0.148 CC(C)CCOCCOCCBr 7a_100000692535_100000210626 [0,2,0,0,0,0|2,0,0]=4 14451 B11R0.148 CC(C)CCOCCOCCCl 34a_100011215305_100000210312 [0,2,0,0,0,0|2,0,0]=4 14452 B11R0.148 CC(C)CCOCCOCCCl 7a_100011215305_100000210626 [0,2,0,0,0,0|2,0,0]=4 14453 B11R0.148 CC(C)CCOCCOCCF 34a_200015357709_100000210312 [0,2,0,0,0,0|2,0,0]=4 14454 B11R0.148 CC(C)CCOCCOCCF 7a_200015357709_100000210626 [0,2,0,0,0,0|2,0,0]=4 14455 B11R0.148 CC(C)CCOCCOCCI 34a_100012149058_100000210312 [0,2,0,0,0,0|2,0,0]=4 14456 B11R0.148 CC(C)CCOCCOCCI 7a_100012149058_100000210626 [0,2,0,0,0,0|2,0,0]=4 14457 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 14458 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [0,2,0,0,0,0|2,0,0]=4 14459 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [0,2,0,0,0,0|2,0,0]=4 14460 B11R0.148 CC(C)CCSCCCCC#N 62a_100000210312_100000211819 [0,2,0,0,0,0|1,0,1]=4 14461 B11R0.148 CC(C)CCSCCCCC#N 62a_100011219923_100000210312 [0,2,0,0,0,0|1,0,1]=4 14462 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,2,0,0,0,0|1,0,1]=4 14463 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,2,0,0,0,0|1,0,1]=4 14464 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,2,0,0,0,0|1,0,0]=3 14465 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,2,0,0,0,0|1,0,0]=3 14466 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,2,0,0,0,0|1,0,0]=3 14467 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,2,0,0,0,0|1,0,0]=3 14468 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [0,2,0,0,0,0|2,0,0]=4 14469 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [0,2,0,0,0,0|2,0,0]=4 14470 B11R0.148 CC(C)CNCCCCCC#N 2230a_100000210953_100009813376 [0,2,0,0,0,0|1,0,1]=4 14471 B11R0.148 CC(C)CNCCCCCC#N 270004a_100000061152_100000210432 [0,2,0,0,0,0|1,0,1]=4 14472 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,2,0,0,0,0|1,0,1]=4 14473 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,2,0,0,0,0|1,0,0]=3 14474 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,2,0,0,0,0|1,0,0]=3 14475 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,2,0,0,0,0|1,0,0]=3 14476 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,2,0,0,0,0|1,0,0]=3 14477 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,2,0,0,0,0|1,0,0]=3 14478 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,2,0,0,0,0|1,0,0]=3 14479 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,2,0,0,0,0|1,0,0]=3 14480 B11R0.148 CC(C)CNCCOCCCF 34a_100015185251_100011934791 [0,2,0,0,0,0|2,0,0]=4 14481 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,2,0,0,0,0|2,0,0]=4 14482 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,2,0,0,0,0|1,0,0]=3 14483 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,2,0,0,0,0|1,0,0]=3 14484 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,2,0,0,0,0|1,0,0]=3 14485 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,2,0,0,0,0|1,0,0]=3 14486 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,2,0,0,0,0|1,0,0]=3 14487 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,2,0,0,0,0|1,0,0]=3 14488 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,2,0,0,0,0|1,0,0]=3 14489 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,2,0,0,0,0|1,0,0]=3 14490 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|1,0,0]=3 14491 B11R0.148 CC(C)COCCCNCCF 2230a_100000205972_100011217306 [0,2,0,0,0,0|2,0,0]=4 14492 B11R0.148 CC(C)COCCCNCCF 34a_100000205972_100011217306 [0,2,0,0,0,0|2,0,0]=4 14493 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [0,2,0,0,0,0|2,0,0]=4 14494 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [0,2,0,0,0,0|2,0,0]=4 14495 B11R0.148 CC(C)COCCOCCCF 34a_100000703358_100011934791 [0,2,0,0,0,0|2,0,0]=4 14496 B11R0.148 CC(C)COCCOCCCF 7a_100000703358_100011934791 [0,2,0,0,0,0|2,0,0]=4 14497 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,2,0,0,0,0|2,0,0]=4 14498 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,2,0,0,0,0|2,0,0]=4 14499 B11R0.148 CC(C)CSCCCCCC#N 62a_100000210624_100009813376 [0,2,0,0,0,0|1,0,1]=4 14500 B11R0.148 CC(C)CSCCCCCC#N 62a_100009813376_100000210760 [0,2,0,0,0,0|1,0,1]=4 14501 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,2,0,0,0,0|1,0,1]=4 14502 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,2,0,0,0,0|1,0,1]=4 14503 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,2,0,0,0,0|1,0,0]=3 14504 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,2,0,0,0,0|1,0,0]=3 14505 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,2,0,0,0,0|1,0,0]=3 14506 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,2,0,0,0,0|1,0,0]=3 14507 B11R0.148 CC(C)CSCCOCCCF 34a_200000230437_100011934791 [0,2,0,0,0,0|2,0,0]=4 14508 B11R0.148 CC(C)CSCCOCCCF 7a_200000230437_100011934791 [0,2,0,0,0,0|2,0,0]=4 14509 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,2,0,0,0,0|2,0,0]=4 14510 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,2,0,0,0,0|2,0,0]=4 14511 B11R0.148 CC(C)NCCCCCCC#N 2230a_100138425928_100009813337 [0,2,0,0,0,0|1,0,1]=4 14512 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|1,0,0]=3 14513 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|1,0,0]=3 14514 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|1,0,0]=3 14515 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|1,0,0]=3 14516 B11R0.148 CC(C)NCCCCCOCF 34a_100011629493_100015361967 [0,2,0,0,0,0|2,0,0]=4 14517 B11R0.148 CC(C)NCCCCOCCF 34a_100011521146_100011217306 [0,2,0,0,0,0|2,0,0]=4 14518 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [0,2,0,0,0,0|2,0,0]=4 14519 B11R0.148 CC(C)NCCCOCCCF 34a_100000182298_100011934791 [0,2,0,0,0,0|2,0,0]=4 14520 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [0,2,0,0,0,0|2,0,0]=4 14521 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [0,2,0,0,0,0|2,0,0]=4 14522 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [0,2,0,0,0,0|2,0,0]=4 14523 B11R0.148 CC(C)NCCOCCCCF 34a_100000224655_100000729493 [0,2,0,0,0,0|2,0,0]=4 14524 B11R0.148 CC(C)NCCOCCCCO 34a_100000224655_100011216708 [0,2,0,0,0,0|2,0,0]=4 14525 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,2,0,0,0,0|1,0,0]=3 14526 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,2,0,0,0,0|1,0,0]=3 14527 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,2,0,0,0,0|1,0,0]=3 14528 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,2,0,0,0,0|1,0,0]=3 14529 B11R0.148 CC(C)OCCCNCCCF 2230a_100000737246_100011934791 [0,2,0,0,0,0|2,0,0]=4 14530 B11R0.148 CC(C)OCCCNCCCF 34a_100000737246_100011934791 [0,2,0,0,0,0|2,0,0]=4 14531 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,2,0,0,0,0|2,0,0]=4 14532 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,2,0,0,0,0|2,0,0]=4 14533 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,2,0,0,0,0|2,0,0]=4 14534 B11R0.148 CC(C)OCCNCCCCF 2230a_100000701111_100000729493 [0,2,0,0,0,0|2,0,0]=4 14535 B11R0.148 CC(C)OCCNCCCCF 34a_100000701111_100000729493 [0,2,0,0,0,0|2,0,0]=4 14536 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,2,0,0,0,0|2,0,0]=4 14537 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,2,0,0,0,0|2,0,0]=4 14538 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,2,0,0,0,0|2,0,0]=4 14539 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,2,0,0,0,0|2,0,0]=4 14540 B11R0.148 CC(C)OCCOCCCCBr 34a_100011216708_100000211751 [0,2,0,0,0,0|2,0,0]=4 14541 B11R0.148 CC(C)OCCOCCCCCl 34a_100000210776_100000211751 [0,2,0,0,0,0|2,0,0]=4 14542 B11R0.148 CC(C)OCCOCCCCCl 7a_100000210776_100000211751 [0,2,0,0,0,0|2,0,0]=4 14543 B11R0.148 CC(C)OCCOCCCCF 34a_100000211219_100000729493 [0,2,0,0,0,0|2,0,0]=4 14544 B11R0.148 CC(C)OCCOCCCCF 34a_100011995726_100000211751 [0,2,0,0,0,0|2,0,0]=4 14545 B11R0.148 CC(C)OCCOCCCCF 7a_100000211219_100000729493 [0,2,0,0,0,0|2,0,0]=4 14546 B11R0.148 CC(C)OCCOCCCCF 7a_100011995726_100000211751 [0,2,0,0,0,0|2,0,0]=4 14547 B11R0.148 CC(C)OCCOCCCCI 34a_200012148704_100000211751 [0,2,0,0,0,0|2,0,0]=4 14548 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,2,0,0,0,0|2,0,0]=4 14549 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,2,0,0,0,0|2,0,0]=4 14550 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,2,0,0,0,0|2,0,0]=4 14551 B11R0.148 CC(C)OCCSCCCCF 62a_100000211751_100000729493 [0,2,0,0,0,0|2,0,0]=4 14552 B11R0.148 CC(C)OCCSCCCCF 62a_100000729493_100000211751 [0,2,0,0,0,0|2,0,0]=4 14553 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,2,0,0,0,0|2,0,0]=4 14554 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,2,0,0,0,0|2,0,0]=4 14555 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,2,0,0,0,0|2,0,0]=4 14556 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,2,0,0,0,0|2,0,0]=4 14557 B11R0.148 CC(C)OCOCCCCCBr 34a_100000746331_100000709892 [0,2,0,0,0,0|2,0,0]=4 14558 B11R0.148 CC(C)OCOCCCCCCl 34a_100000746330_100000709892 [0,2,0,0,0,0|2,0,0]=4 14559 B11R0.148 CC(C)OCOCCCCCI 34a_200012148887_100000709892 [0,2,0,0,0,0|2,0,0]=4 14560 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,2,0,0,0,0|2,0,0]=4 14561 B11R0.148 CC(C)OCSCCCCCF 62a_100000709892_100000729378 [0,2,0,0,0,0|2,0,0]=4 14562 B11R0.148 CC(C)OCSCCCCCF 62a_100000729378_100000709892 [0,2,0,0,0,0|2,0,0]=4 14563 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,2,0,0,0,0|2,0,0]=4 14564 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,2,0,0,0,0|2,0,0]=4 14565 B11R0.148 CC(C)SCCCCCCC#N 62a_100000210206_100009813337 [0,2,0,0,0,0|1,0,1]=4 14566 B11R0.148 CC(C)SCCCCCCC#N 62a_100009813337_100000210206 [0,2,0,0,0,0|1,0,1]=4 14567 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,2,0,0,0,0|1,0,0]=3 14568 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,2,0,0,0,0|1,0,0]=3 14569 B11R0.148 CC(C)SCCNCCCCF 2230a_100000731138_100000729493 [0,2,0,0,0,0|2,0,0]=4 14570 B11R0.148 CC(C)SCCNCCCCF 34a_100000731138_100000729493 [0,2,0,0,0,0|2,0,0]=4 14571 B11R0.148 CC(C)SCCNCCCCO 2230a_100000731138_100000210776 [0,2,0,0,0,0|2,0,0]=4 14572 B11R0.148 CC(C)SCCNCCCCO 2230a_100000750430_100000730970 [0,2,0,0,0,0|2,0,0]=4 14573 B11R0.148 CC(C)SCCNCCCCO 34a_100000731138_100011216708 [0,2,0,0,0,0|2,0,0]=4 14574 B11R0.148 CC(C)SCCNCCCCO 34a_100000750430_100000730970 [0,2,0,0,0,0|2,0,0]=4 14575 B11R0.148 CC(C)SCCOCCCCBr 34a_100011216708_100000730970 [0,2,0,0,0,0|2,0,0]=4 14576 B11R0.148 CC(C)SCCOCCCCCl 34a_100000210776_100000730970 [0,2,0,0,0,0|2,0,0]=4 14577 B11R0.148 CC(C)SCCOCCCCCl 7a_100000210776_100000730970 [0,2,0,0,0,0|2,0,0]=4 14578 B11R0.148 CC(C)SCCOCCCCF 34a_100011995726_100000730970 [0,2,0,0,0,0|2,0,0]=4 14579 B11R0.148 CC(C)SCCOCCCCF 34a_200011212901_100000729493 [0,2,0,0,0,0|2,0,0]=4 14580 B11R0.148 CC(C)SCCOCCCCF 7a_100011995726_100000730970 [0,2,0,0,0,0|2,0,0]=4 14581 B11R0.148 CC(C)SCCOCCCCF 7a_200011212901_100000729493 [0,2,0,0,0,0|2,0,0]=4 14582 B11R0.148 CC(C)SCCOCCCCI 34a_200012148704_100000730970 [0,2,0,0,0,0|2,0,0]=4 14583 B11R0.148 CC(C)SCCOCCCCN 34a_100000750430_100000730970 [0,2,0,0,0,0|2,0,0]=4 14584 B11R0.148 CC(C)SCCOCCCCO 34a_200011212901_100011216708 [0,2,0,0,0,0|2,0,0]=4 14585 B11R0.148 CC(C)SCCOCCCCO 7a_200011212901_100000210776 [0,2,0,0,0,0|2,0,0]=4 14586 B11R0.148 CC(C)SCCSCCCCF 62a_100000729493_100000730970 [0,2,0,0,0,0|2,0,0]=4 14587 B11R0.148 CC(C)SCCSCCCCF 62a_100000730970_100000729493 [0,2,0,0,0,0|2,0,0]=4 14588 B11R0.148 CC(C)SCCSCCCCO 62a_100000210776_100000730970 [0,2,0,0,0,0|2,0,0]=4 14589 B11R0.148 CC(C)SCCSCCCCO 62a_100000730970_100000210776 [0,2,0,0,0,0|2,0,0]=4 14590 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,2,0,0,0,0|1,0,0]=3 14591 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|1,0,0]=3 14592 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|0,0,0]=2 14593 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,0]=2 14594 B11R0.148 CC(O)CCCOCC#CCCl 34a_200000047223_200000718107 [0,2,0,0,0,0|0,0,2]=4 14595 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,2,0,0,0,0|0,0,0]=2 14596 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,2,0,0,0,0|0,0,0]=2 14597 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,2,0,0,0,0|0,0,0]=2 14598 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,2,0,0,0,0|0,0,0]=2 14599 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,2,0,0,0,0|0,0,0]=2 14600 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,2,0,0,0,0|0,0,0]=2 14601 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,0]=2 14602 B11R0.148 CC(O)CCCSCC#CCO 62a_200000047223_200000718107 [0,2,0,0,0,0|0,0,2]=4 14603 B11R0.148 CC(O)CCCSCC#CCO 62a_200000718107_200000047223 [0,2,0,0,0,0|0,0,2]=4 14604 B11R0.148 CC(O)CCCSCCCC#N 62a_100000687738_200000718107 [0,2,0,0,0,0|0,0,1]=3 14605 B11R0.148 CC(O)CCCSCCCC#N 62a_200000718107_100000687738 [0,2,0,0,0,0|0,0,1]=3 14606 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,2,0,0,0,0|0,0,1]=3 14607 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,2,0,0,0,0|0,0,1]=3 14608 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,2,0,0,0,0|0,0,0]=2 14609 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,2,0,0,0,0|0,0,0]=2 14610 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|0,0,0]=2 14611 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|0,0,0]=2 14612 B11R0.148 CC(O)CCCSCCSC#N 62a_100000034367_200000718107 [0,2,0,0,0,0|1,0,1]=4 14613 B11R0.148 CC(O)CCCSCCSC#N 62a_200000718107_100000034367 [0,2,0,0,0,0|1,0,1]=4 14614 B11R0.148 CC(O)CCNCCCCC#N 2230a_200000755665_100000211819 [0,2,0,0,0,0|0,0,1]=3 14615 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,2,0,0,0,0|0,0,1]=3 14616 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,2,0,0,0,0|0,0,0]=2 14617 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|0,0,0]=2 14618 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|0,0,0]=2 14619 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,0]=2 14620 B11R0.148 CC(O)CCNCCCN=[N+]=[N-] 2230a_100000744732_100012276601 [0,2,0,0,0,0|2,0,0]=4 14621 B11R0.148 CC(O)CCNCCOCC#N 2230a_200000755665_200000047693 [0,2,0,0,0,0|1,0,1]=4 14622 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 14623 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [0,2,0,0,0,0|1,0,0]=3 14624 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 14625 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [0,2,0,0,0,0|1,0,0]=3 14626 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|0,0,0]=2 14627 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|0,0,0]=2 14628 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|0,0,0]=2 14629 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|0,0,0]=2 14630 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|0,0,0]=2 14631 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|0,0,0]=2 14632 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,0]=2 14633 B11R0.148 CC(O)CCOCCOCCBr 34a_100000692535_100012276601 [0,2,0,0,0,0|1,0,0]=3 14634 B11R0.148 CC(O)CCOCCOCCBr 7a_100000692535_100012276601 [0,2,0,0,0,0|1,0,0]=3 14635 B11R0.148 CC(O)CCOCCOCCCl 34a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 14636 B11R0.148 CC(O)CCOCCOCCCl 7a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 14637 B11R0.148 CC(O)CCOCCOCCF 34a_200015357709_100012276601 [0,2,0,0,0,0|1,0,0]=3 14638 B11R0.148 CC(O)CCOCCOCCF 7a_200015357709_100012276601 [0,2,0,0,0,0|1,0,0]=3 14639 B11R0.148 CC(O)CCOCCOCCI 34a_100012149058_100012276601 [0,2,0,0,0,0|1,0,0]=3 14640 B11R0.148 CC(O)CCOCCOCCI 7a_100012149058_100012276601 [0,2,0,0,0,0|1,0,0]=3 14641 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 14642 B11R0.148 CC(O)CCSCCCCC#N 62a_100011219923_100012276601 [0,2,0,0,0,0|0,0,1]=3 14643 B11R0.148 CC(O)CCSCCCCC#N 62a_100012276601_100000211819 [0,2,0,0,0,0|0,0,1]=3 14644 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,2,0,0,0,0|0,0,1]=3 14645 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,2,0,0,0,0|0,0,1]=3 14646 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,2,0,0,0,0|0,0,0]=2 14647 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,2,0,0,0,0|0,0,0]=2 14648 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|0,0,0]=2 14649 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|0,0,0]=2 14650 B11R0.148 CC(O)CCSCCOCC#N 62a_100012276601_200000047693 [0,2,0,0,0,0|1,0,1]=4 14651 B11R0.148 CC(O)CCSCCOCC#N 62a_200000047693_100012276601 [0,2,0,0,0,0|1,0,1]=4 14652 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 14653 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [0,2,0,0,0,0|1,0,0]=3 14654 B11R0.148 CC(O)CNCCCCCC#N 2230a_100000210904_100009813376 [0,2,0,0,0,0|0,0,1]=3 14655 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,2,0,0,0,0|0,0,1]=3 14656 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,2,0,0,0,0|0,0,0]=2 14657 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|0,0,0]=2 14658 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|0,0,0]=2 14659 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|0,0,0]=2 14660 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|0,0,0]=2 14661 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|0,0,0]=2 14662 B11R0.148 CC(O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100011218427 [0,2,0,0,0,0|2,0,0]=4 14663 B11R0.148 CC(O)CNN=CCCCCO 4a_200000730056_100000031955 [0,2,0,0,0,0|1,0,1]=4 14664 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|0,0,0]=2 14665 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|0,0,0]=2 14666 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|0,0,0]=2 14667 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|0,0,0]=2 14668 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|0,0,0]=2 14669 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|0,0,0]=2 14670 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|0,0,0]=2 14671 B11R0.148 CC(O)CSCCCCCC#N 62a_100009813376_100011218427 [0,2,0,0,0,0|0,0,1]=3 14672 B11R0.148 CC(O)CSCCCCCC#N 62a_100011218427_100009813376 [0,2,0,0,0,0|0,0,1]=3 14673 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,2,0,0,0,0|0,0,1]=3 14674 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,2,0,0,0,0|0,0,1]=3 14675 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,2,0,0,0,0|0,0,0]=2 14676 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,2,0,0,0,0|0,0,0]=2 14677 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|0,0,0]=2 14678 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|0,0,0]=2 14679 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [0,2,0,0,0,0|1,0,1]=4 14680 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [0,2,0,0,0,0|1,0,1]=4 14681 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [0,2,0,0,0,0|0,0,1]=3 14682 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [0,2,0,0,0,0|0,0,1]=3 14683 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [0,2,0,0,0,0|0,0,1]=3 14684 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [0,2,0,0,0,0|0,0,1]=3 14685 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [0,2,0,0,0,0|1,0,1]=4 14686 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [0,2,0,0,0,0|1,0,1]=4 14687 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [0,2,0,0,0,0|0,0,1]=3 14688 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [0,2,0,0,0,0|1,0,1]=4 14689 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [0,2,0,0,0,0|1,0,1]=4 14690 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [0,2,0,0,0,0|1,0,1]=4 14691 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [0,2,0,0,0,0|1,0,1]=4 14692 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [0,2,0,0,0,0|1,0,1]=4 14693 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,2,0,0,0,0|0,0,1]=3 14694 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,2,0,0,0,0|0,0,1]=3 14695 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [0,2,0,0,0,0|1,0,1]=4 14696 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [0,2,0,0,0,0|1,0,1]=4 14697 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [0,2,0,0,0,0|1,0,1]=4 14698 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [0,2,0,0,0,0|0,0,1]=3 14699 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [0,2,0,0,0,0|0,0,1]=3 14700 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [0,2,0,0,0,0|1,0,1]=4 14701 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [0,2,0,0,0,0|1,0,1]=4 14702 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [0,2,0,0,0,0|1,0,1]=4 14703 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [0,2,0,0,0,0|1,0,1]=4 14704 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [0,2,0,0,0,0|1,0,1]=4 14705 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,2,0,0,0,0|0,0,1]=3 14706 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [0,2,0,0,0,0|1,0,1]=4 14707 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [0,2,0,0,0,0|1,0,1]=4 14708 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,2,0,0,0,0|0,0,1]=3 14709 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,2,0,0,0,0|0,0,1]=3 14710 B11R0.148 CC=C=CCCOCCC(C)O 34a_100011020354_100012276601 [0,2,0,0,0,0|0,0,2]=4 14711 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [0,2,0,0,0,0|1,0,1]=4 14712 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|0,0,1]=3 14713 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [0,2,0,0,0,0|1,0,1]=4 14714 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [0,2,0,0,0,0|1,0,1]=4 14715 B11R0.148 CC=CCSCCCCC(C)C 62a_100000070051_100011216152 [0,2,0,0,0,0|1,0,1]=4 14716 B11R0.148 CC=CCSCCCCC(C)C 62a_100011216152_100000070051 [0,2,0,0,0,0|1,0,1]=4 14717 B11R0.148 CCC#CCCOCCC(C)C 34a_100000036655_100000210312 [0,2,0,0,0,0|1,0,1]=4 14718 B11R0.148 CCC#CCCOCCC(C)C 7a_100000036655_100000210626 [0,2,0,0,0,0|1,0,1]=4 14719 B11R0.148 CCC#CCCOCCC(C)O 34a_100000036655_100012276601 [0,2,0,0,0,0|0,0,1]=3 14720 B11R0.148 CCC#CCCOCCC(C)O 7a_100000036655_100012276601 [0,2,0,0,0,0|0,0,1]=3 14721 B11R0.148 CCC#CCNCCCC(C)C 2230a_200000737386_100009813939 [0,2,0,0,0,0|1,0,1]=4 14722 B11R0.148 CCC#CCNCCCC(C)C 34a_200000737386_100009813939 [0,2,0,0,0,0|1,0,1]=4 14723 B11R0.148 CCC#CCOCCCC(C)C 34a_100000032950_100011214892 [0,2,0,0,0,0|1,0,1]=4 14724 B11R0.148 CCC#CCOCCCC(C)C 34a_100000210774_100009813939 [0,2,0,0,0,0|1,0,1]=4 14725 B11R0.148 CCC#CCOCCCC(C)C 7a_100000210774_100009813939 [0,2,0,0,0,0|1,0,1]=4 14726 B11R0.148 CCC#CCOCCCC(C)O 34a_100000032950_200000718107 [0,2,0,0,0,0|0,0,1]=3 14727 B11R0.148 CCC#CCSCCCC(C)C 62a_100009813939_100011214892 [0,2,0,0,0,0|1,0,1]=4 14728 B11R0.148 CCC#CCSCCCC(C)C 62a_100011214892_100009813939 [0,2,0,0,0,0|1,0,1]=4 14729 B11R0.148 CCC#CCSCCCC(C)O 62a_100009813939_200000718107 [0,2,0,0,0,0|0,0,1]=3 14730 B11R0.148 CCC#CCSCCCC(C)O 62a_200000718107_100009813939 [0,2,0,0,0,0|0,0,1]=3 14731 B11R0.148 CCC/C=C/COCCC(C)C 34a_100016278788_100000210312 [0,2,0,0,0,0|1,0,1]=4 14732 B11R0.148 CCC/C=C/COCCC(C)C 7a_100016278788_100000210626 [0,2,0,0,0,0|1,0,1]=4 14733 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,2,0,0,0,0|0,0,1]=3 14734 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,2,0,0,0,0|0,0,1]=3 14735 B11R0.148 CCCC#CCCOCC(C)C 34a_100000042726_100000210624 [0,2,0,0,0,0|1,0,1]=4 14736 B11R0.148 CCCC#CCCOCC(C)C 7a_100000042726_100000210760 [0,2,0,0,0,0|1,0,1]=4 14737 B11R0.148 CCCC#CCCOCC(C)O 34a_100000042726_100011218427 [0,2,0,0,0,0|0,0,1]=3 14738 B11R0.148 CCCC#CCCOCC(C)O 7a_100000042726_100011218427 [0,2,0,0,0,0|0,0,1]=3 14739 B11R0.148 CCCC#CCCOC[C@@H](C)O 34a_100000042726_100009817552 [0,2,0,0,0,0|0,0,1]=3 14740 B11R0.148 CCCC#CCCOC[C@@H](C)O 7a_100000042726_100009817552 [0,2,0,0,0,0|0,0,1]=3 14741 B11R0.148 CCCC#CCOCCC(C)C 34a_100000034806_100000210312 [0,2,0,0,0,0|1,0,1]=4 14742 B11R0.148 CCCC#CCOCCC(C)C 7a_100000034806_100000210626 [0,2,0,0,0,0|1,0,1]=4 14743 B11R0.148 CCCC#CCOCCC(C)O 34a_100000034806_100012276601 [0,2,0,0,0,0|0,0,1]=3 14744 B11R0.148 CCCC#CCOCCC(C)O 7a_100000034806_100012276601 [0,2,0,0,0,0|0,0,1]=3 14745 B11R0.148 CCCC/C=C/COCC(C)C 34a_200016272032_100000210624 [0,2,0,0,0,0|1,0,1]=4 14746 B11R0.148 CCCC/C=C/COCC(C)C 7a_200016272032_100000210760 [0,2,0,0,0,0|1,0,1]=4 14747 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [0,2,0,0,0,0|0,0,1]=3 14748 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [0,2,0,0,0,0|0,0,1]=3 14749 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [0,2,0,0,0,0|0,0,1]=3 14750 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [0,2,0,0,0,0|0,0,1]=3 14751 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 14752 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 14753 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,2,0,0,0,0|0,0,2]=4 14754 B11R0.148 CCCCC#CCCCN(C)C 2230a_100102631434_200000047210 [0,2,0,0,0,0|2,0,0]=4 14755 B11R0.148 CCCCC#CCCCN(C)C 269982a_100102631434_200000047210 [0,2,0,0,0,0|2,0,0]=4 14756 B11R0.148 CCCCC#CCCOC(C)C 34a_100000037610_100000210206 [0,2,0,0,0,0|1,0,1]=4 14757 B11R0.148 CCCCC#CCCOC(C)C 7a_100000037610_100000210206 [0,2,0,0,0,0|1,0,1]=4 14758 B11R0.148 CCCCC#CCOCC(C)C 34a_200000034558_100000210624 [0,2,0,0,0,0|1,0,1]=4 14759 B11R0.148 CCCCC#CCOCC(C)C 7a_200000034558_100000210760 [0,2,0,0,0,0|1,0,1]=4 14760 B11R0.148 CCCCC#CCOCC(C)O 34a_200000034558_100011218427 [0,2,0,0,0,0|0,0,1]=3 14761 B11R0.148 CCCCC#CCOCC(C)O 7a_200000034558_100011218427 [0,2,0,0,0,0|0,0,1]=3 14762 B11R0.148 CCCCC#CCOC[C@@H](C)O 34a_200000034558_100009817552 [0,2,0,0,0,0|0,0,1]=3 14763 B11R0.148 CCCCC#CCOC[C@@H](C)O 7a_200000034558_100009817552 [0,2,0,0,0,0|0,0,1]=3 14764 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|0,0,2]=4 14765 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|0,0,2]=4 14766 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,2,0,0,0,0|1,0,1]=4 14767 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,2,0,0,0,0|1,0,1]=4 14768 B11R0.148 CCCCCC#CCNC(C)C 2230a_100138425928_100009816472 [0,2,0,0,0,0|1,0,1]=4 14769 B11R0.148 CCCCCC#CCNC(C)C 34a_100138425928_100009816472 [0,2,0,0,0,0|1,0,1]=4 14770 B11R0.148 CCCCCC#CCOC(C)C 34a_100000212225_100009816472 [0,2,0,0,0,0|1,0,1]=4 14771 B11R0.148 CCCCCC#CCOC(C)C 34a_200000033628_100000210206 [0,2,0,0,0,0|1,0,1]=4 14772 B11R0.148 CCCCCC#CCOC(C)C 7a_200000033628_100000210206 [0,2,0,0,0,0|1,0,1]=4 14773 B11R0.148 CCCCCC#CCSC(C)C 62a_100000210206_100009816472 [0,2,0,0,0,0|1,0,1]=4 14774 B11R0.148 CCCCCC#CCSC(C)C 62a_100009816472_100000210206 [0,2,0,0,0,0|1,0,1]=4 14775 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|0,0,2]=4 14776 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|0,0,2]=4 14777 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,2,0,0,0,0|0,0,1]=3 14778 B11R0.148 CCCCCCC=NNC(C)C 4a_100000741168_100000234349 [0,2,0,0,0,0|1,0,1]=4 14779 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|0,0,2]=4 14780 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|0,0,2]=4 14781 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|0,0,2]=4 14782 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|0,0,2]=4 14783 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|0,0,2]=4 14784 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,2,0,0,0,0|2,0,0]=4 14785 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,2,0,0,0,0|2,0,0]=4 14786 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,2,0,0,0,0|2,0,0]=4 14787 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,2,0,0,0,0|2,0,0]=4 14788 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,2,0,0,0,0|2,0,0]=4 14789 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,2,0,0,0,0|2,0,0]=4 14790 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 14791 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 14792 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 14793 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|0,0,2]=4 14794 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,2,0,0,0,0|1,0,0]=3 14795 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,2,0,0,0,0|1,0,0]=3 14796 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,2,0,0,0,0|1,0,0]=3 14797 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,2,0,0,0,0|1,0,0]=3 14798 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,2,0,0,0,0|1,0,0]=3 14799 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,2,0,0,0,0|1,0,0]=3 14800 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,2,0,0,0,0|1,0,0]=3 14801 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,2,0,0,0,0|1,0,0]=3 14802 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,2,0,0,0,0|1,0,0]=3 14803 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|1,0,1]=4 14804 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,2,0,0,0,0|1,0,0]=3 14805 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,2,0,0,0,0|1,0,0]=3 14806 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,2,0,0,0,0|1,0,0]=3 14807 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,2,0,0,0,0|1,0,0]=3 14808 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|0,0,0]=2 14809 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|0,0,0]=2 14810 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|0,0,0]=2 14811 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,2,0,0,0,0|2,0,0]=4 14812 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,2,0,0,0,0|2,0,0]=4 14813 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|0,0,0]=2 14814 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,2]=4 14815 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,2,0,0,0,0|1,0,0]=3 14816 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,2,0,0,0,0|1,0,0]=3 14817 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,2,0,0,0,0|1,0,0]=3 14818 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,2,0,0,0,0|1,0,0]=3 14819 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,2,0,0,0,0|1,0,0]=3 14820 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|0,0,0]=2 14821 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|0,0,0]=2 14822 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,2,0,0,0,0|2,0,0]=4 14823 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,2,0,0,0,0|2,0,0]=4 14824 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,2,0,0,0,0|2,0,0]=4 14825 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,2,0,0,0,0|1,0,0]=3 14826 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,2,0,0,0,0|1,0,0]=3 14827 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|0,0,0]=2 14828 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|0,0,0]=2 14829 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,2,0,0,0,0|1,0,0]=3 14830 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,2,0,0,0,0|1,0,0]=3 14831 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|0,0,0]=2 14832 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|0,0,0]=2 14833 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,2,0,0,0,0|2,0,0]=4 14834 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,2,0,0,0,0|2,0,0]=4 14835 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|0,0,0]=2 14836 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|0,0,0]=2 14837 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,2,0,0,0,0|1,0,1]=4 14838 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,2,0,0,0,0|1,0,1]=4 14839 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,2,0,0,0,0|1,0,0]=3 14840 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,2,0,0,0,0|1,0,0]=3 14841 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|0,0,0]=2 14842 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|0,0,0]=2 14843 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,2,0,0,0,0|1,0,0]=3 14844 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,2,0,0,0,0|1,0,1]=4 14845 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,2,0,0,0,0|1,0,1]=4 14846 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,2,0,0,0,0|1,0,1]=4 14847 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,2,0,0,0,0|1,0,1]=4 14848 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 14849 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,2]=4 14850 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 14851 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,2,0,0,0,0|1,0,0]=3 14852 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,2,0,0,0,0|1,0,0]=3 14853 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,2,0,0,0,0|1,0,0]=3 14854 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,2,0,0,0,0|1,0,0]=3 14855 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,2,0,0,0,0|1,0,0]=3 14856 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|0,0,0]=2 14857 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|0,0,0]=2 14858 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,2,0,0,0,0|2,0,0]=4 14859 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,2,0,0,0,0|2,0,0]=4 14860 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,2,0,0,0,0|1,0,0]=3 14861 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|0,0,2]=4 14862 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,2,0,0,0,0|1,0,0]=3 14863 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,2,0,0,0,0|1,0,1]=4 14864 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,2,0,0,0,0|1,0,1]=4 14865 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|0,0,2]=4 14866 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|0,0,2]=4 14867 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,2,0,0,0,0|1,0,0]=3 14868 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,2,0,0,0,0|1,0,0]=3 14869 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|0,0,0]=2 14870 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|0,0,0]=2 14871 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,2,0,0,0,0|2,0,0]=4 14872 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|0,0,2]=4 14873 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|0,0,2]=4 14874 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,2,0,0,0,0|1,0,0]=3 14875 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,2,0,0,0,0|1,0,0]=3 14876 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,2,0,0,0,0|1,0,1]=4 14877 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,2,0,0,0,0|1,0,0]=3 14878 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,2,0,0,0,0|1,0,0]=3 14879 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,2,0,0,0,0|1,0,0]=3 14880 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|0,0,0]=2 14881 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,2,0,0,0,0|1,0,1]=4 14882 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,2,0,0,0,0|0,0,2]=4 14883 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,2,0,0,0,0|0,0,2]=4 14884 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,2,0,0,0,0|1,0,0]=3 14885 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,2,0,0,0,0|1,0,0]=3 14886 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,2,0,0,0,0|1,0,0]=3 14887 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,2,0,0,0,0|1,0,0]=3 14888 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,2,0,0,0,0|1,0,0]=3 14889 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,2,0,0,0,0|1,0,0]=3 14890 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,2,0,0,0,0|1,0,0]=3 14891 B11R0.148 CCCCCNN=CCC(C)C 4a_100000694160_100000185833 [0,2,0,0,0,0|1,0,1]=4 14892 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,2,0,0,0,0|1,0,1]=4 14893 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,2,0,0,0,0|1,0,1]=4 14894 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|0,0,2]=4 14895 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|0,0,2]=4 14896 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|0,0,2]=4 14897 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|0,0,2]=4 14898 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,2,0,0,0,0|1,0,0]=3 14899 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,2,0,0,0,0|1,0,0]=3 14900 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,2,0,0,0,0|1,0,0]=3 14901 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,2,0,0,0,0|1,0,0]=3 14902 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|0,0,0]=2 14903 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|0,0,0]=2 14904 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,2,0,0,0,0|2,0,0]=4 14905 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,2,0,0,0,0|0,0,2]=4 14906 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,2,0,0,0,0|0,0,2]=4 14907 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,2,0,0,0,0|1,0,0]=3 14908 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 14909 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 14910 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,2,0,0,0,0|1,0,0]=3 14911 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,2,0,0,0,0|1,0,0]=3 14912 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,2,0,0,0,0|1,0,0]=3 14913 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,2,0,0,0,0|1,0,0]=3 14914 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,2,0,0,0,0|1,0,0]=3 14915 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,2,0,0,0,0|1,0,0]=3 14916 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,2,0,0,0,0|1,0,0]=3 14917 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,2,0,0,0,0|1,0,0]=3 14918 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,2,0,0,0,0|1,0,0]=3 14919 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,2,0,0,0,0|1,0,0]=3 14920 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,2,0,0,0,0|1,0,1]=4 14921 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,2,0,0,0,0|1,0,1]=4 14922 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|0,0,2]=4 14923 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|0,0,2]=4 14924 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,2,0,0,0,0|1,0,0]=3 14925 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,2,0,0,0,0|1,0,0]=3 14926 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|0,0,0]=2 14927 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|0,0,0]=2 14928 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,2,0,0,0,0|2,0,0]=4 14929 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,2,0,0,0,0|0,0,2]=4 14930 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,2,0,0,0,0|0,0,2]=4 14931 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|0,0,2]=4 14932 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|0,0,2]=4 14933 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,2,0,0,0,0|1,0,0]=3 14934 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,2,0,0,0,0|1,0,0]=3 14935 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,2,0,0,0,0|1,0,0]=3 14936 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,2,0,0,0,0|1,0,0]=3 14937 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,2,0,0,0,0|2,0,0]=4 14938 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,2,0,0,0,0|2,0,0]=4 14939 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|0,0,2]=4 14940 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,2,0,0,0,0|1,0,0]=3 14941 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,2,0,0,0,0|1,0,0]=3 14942 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,2,0,0,0,0|0,0,2]=4 14943 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|0,0,2]=4 14944 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,2,0,0,0,0|0,1,1]=4 14945 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,2,0,0,0,0|0,1,1]=4 14946 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,2,0,0,0,0|1,0,0]=3 14947 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,2,0,0,0,0|1,0,0]=3 14948 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,2,0,0,0,0|0,0,2]=4 14949 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,2,0,0,0,0|0,0,2]=4 14950 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,2,0,0,0,0|1,0,1]=4 14951 B11R0.148 CCCCNCCOCC(F)F 2230a_100000102301_200012177212 [0,2,0,0,0,0|2,0,0]=4 14952 B11R0.148 CCCCNCCOCC(F)F 7a_106832991798_200012177212 [0,2,0,0,0,0|2,0,0]=4 14953 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,2,0,0,0,0|2,0,0]=4 14954 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,2,0,0,0,0|2,0,0]=4 14955 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|0,0,2]=4 14956 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|0,0,2]=4 14957 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,2,0,0,0,0|1,0,0]=3 14958 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,2,0,0,0,0|1,0,0]=3 14959 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,2,0,0,0,0|1,0,0]=3 14960 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,2,0,0,0,0|1,0,0]=3 14961 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,2,0,0,0,0|0,0,2]=4 14962 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,2,0,0,0,0|0,0,2]=4 14963 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,2,0,0,0,0|0,0,2]=4 14964 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,2,0,0,0,0|0,0,2]=4 14965 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,2,0,0,0,0|1,0,0]=3 14966 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,2,0,0,0,0|1,0,0]=3 14967 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,2,0,0,0,0|1,0,0]=3 14968 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 14969 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 14970 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,2,0,0,0,0|0,1,1]=4 14971 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,2,0,0,0,0|0,1,1]=4 14972 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,2,0,0,0,0|1,0,0]=3 14973 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,2,0,0,0,0|1,0,0]=3 14974 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,2,0,0,0,0|0,0,2]=4 14975 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,2,0,0,0,0|0,0,2]=4 14976 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|1,0,1]=4 14977 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [0,2,0,0,0,0|1,0,0]=3 14978 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [0,2,0,0,0,0|1,0,0]=3 14979 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [0,2,0,0,0,0|1,0,0]=3 14980 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,2,0,0,0,0|0,0,0]=2 14981 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,2,0,0,0,0|0,0,0]=2 14982 B11R0.148 CCCCOCCNCC(F)F 34a_100000765723_100000743108 [0,2,0,0,0,0|2,0,0]=4 14983 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|0,0,2]=4 14984 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|0,0,2]=4 14985 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|0,0,2]=4 14986 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,2,0,0,0,0|1,0,0]=3 14987 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,2,0,0,0,0|1,0,0]=3 14988 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,2,0,0,0,0|1,0,0]=3 14989 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,2,0,0,0,0|1,0,0]=3 14990 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,2,0,0,0,0|1,0,0]=3 14991 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,2,0,0,0,0|1,0,0]=3 14992 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,2,0,0,0,0|1,0,0]=3 14993 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,2,0,0,0,0|0,0,0]=2 14994 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,2,0,0,0,0|0,0,0]=2 14995 B11R0.148 CCCCOCCOCC(F)F 34a_100000210227_200012177212 [0,2,0,0,0,0|2,0,0]=4 14996 B11R0.148 CCCCOCCOCC(F)F 34a_100000210238_100011934356 [0,2,0,0,0,0|2,0,0]=4 14997 B11R0.148 CCCCOCCOCC(F)F 34a_100000704375_100000210210 [0,2,0,0,0,0|2,0,0]=4 14998 B11R0.148 CCCCOCCOCC(F)F 34a_100000743014_100000743108 [0,2,0,0,0,0|2,0,0]=4 14999 B11R0.148 CCCCOCCOCC(F)F 7a_100000210227_200012177212 [0,2,0,0,0,0|2,0,0]=4 15000 B11R0.148 CCCCOCCOCC(F)F 7a_100000210238_100011934356 [0,2,0,0,0,0|2,0,0]=4 15001 B11R0.148 CCCCOCCOCC(F)F 7a_100000704375_100000210211 [0,2,0,0,0,0|2,0,0]=4 15002 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,2,0,0,0,0|1,0,0]=3 15003 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,2,0,0,0,0|1,0,0]=3 15004 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,2,0,0,0,0|0,0,0]=2 15005 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,2,0,0,0,0|0,0,0]=2 15006 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [0,2,0,0,0,0|1,0,0]=3 15007 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [0,2,0,0,0,0|1,0,0]=3 15008 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [0,2,0,0,0,0|1,0,0]=3 15009 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [0,2,0,0,0,0|1,0,0]=3 15010 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,2,0,0,0,0|0,0,0]=2 15011 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,2,0,0,0,0|0,0,0]=2 15012 B11R0.148 CCCCOCCSCC(F)F 62a_100000743108_100011934356 [0,2,0,0,0,0|2,0,0]=4 15013 B11R0.148 CCCCOCCSCC(F)F 62a_100011934356_100000743108 [0,2,0,0,0,0|2,0,0]=4 15014 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,2,0,0,0,0|0,0,0]=2 15015 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,2,0,0,0,0|0,0,0]=2 15016 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,2,0,0,0,0|0,0,0]=2 15017 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|0,0,2]=4 15018 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [0,2,0,0,0,0|1,0,0]=3 15019 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [0,2,0,0,0,0|1,0,0]=3 15020 B11R0.148 CCCCOCOCCC(F)F 34a_100103093639_100011995733 [0,2,0,0,0,0|2,0,0]=4 15021 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [0,2,0,0,0,0|1,0,0]=3 15022 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,2,0,0,0,0|0,0,2]=4 15023 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,2,0,0,0,0|0,0,2]=4 15024 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [0,2,0,0,0,0|1,0,0]=3 15025 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [0,2,0,0,0,0|1,0,0]=3 15026 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,2,0,0,0,0|0,0,0]=2 15027 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,2,0,0,0,0|0,0,0]=2 15028 B11R0.148 CCCCOCSCCN(C)C 62a_100011995733_100000755713 [0,2,0,0,0,0|2,0,0]=4 15029 B11R0.148 CCCCOCSCOC(C)C 62a_100000709892_100011995733 [0,2,0,0,0,0|2,0,0]=4 15030 B11R0.148 CCCCOCSCOC(C)C 62a_100011995733_100000709892 [0,2,0,0,0,0|2,0,0]=4 15031 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,2,0,0,0,0|2,0,0]=4 15032 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,2,0,0,0,0|2,0,0]=4 15033 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|0,0,2]=4 15034 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|0,0,2]=4 15035 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,2,0,0,0,0|1,0,0]=3 15036 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,2,0,0,0,0|1,0,0]=3 15037 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,2,0,0,0,0|2,0,0]=4 15038 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|0,0,2]=4 15039 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|0,0,2]=4 15040 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,2,0,0,0,0|0,1,1]=4 15041 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,2,0,0,0,0|0,1,1]=4 15042 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,2,0,0,0,0|0,0,2]=4 15043 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,2,0,0,0,0|0,0,2]=4 15044 B11R0.148 CCCCSCCNCC(C)C 2230a_100025743550_100000210760 [0,2,0,0,0,0|1,0,0]=3 15045 B11R0.148 CCCCSCCNCC(C)C 270004a_100025743550_100000210432 [0,2,0,0,0,0|1,0,0]=3 15046 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,2,0,0,0,0|0,0,0]=2 15047 B11R0.148 CCCCSCCNCC(F)F 2230a_100025743550_100011934356 [0,2,0,0,0,0|2,0,0]=4 15048 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,2,0,0,0,0|0,0,0]=2 15049 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [0,2,0,0,0,0|1,0,0]=3 15050 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [0,2,0,0,0,0|1,0,0]=3 15051 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,2,0,0,0,0|0,0,0]=2 15052 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,2,0,0,0,0|0,0,0]=2 15053 B11R0.148 CCCCSCCOCC(F)F 34a_200000230436_100011934356 [0,2,0,0,0,0|2,0,0]=4 15054 B11R0.148 CCCCSCCOCC(F)F 62a_100000210211_200012177212 [0,2,0,0,0,0|2,0,0]=4 15055 B11R0.148 CCCCSCCOCC(F)F 62a_200012177212_100000210210 [0,2,0,0,0,0|2,0,0]=4 15056 B11R0.148 CCCCSCCOCC(F)F 7a_200000230436_100011934356 [0,2,0,0,0,0|2,0,0]=4 15057 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,2,0,0,0,0|0,0,0]=2 15058 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,2,0,0,0,0|0,0,0]=2 15059 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,2,0,0,0,0|1,0,0]=3 15060 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,2,0,0,0,0|1,0,0]=3 15061 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,2,0,0,0,0|0,0,2]=4 15062 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,2,0,0,0,0|0,0,2]=4 15063 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [0,2,0,0,0,0|1,0,0]=3 15064 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [0,2,0,0,0,0|1,0,0]=3 15065 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,2,0,0,0,0|2,0,0]=4 15066 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,2,0,0,0,0|1,0,0]=3 15067 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,2,0,0,0,0|1,0,0]=3 15068 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,2,0,0,0,0|1,0,0]=3 15069 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,2,0,0,0,0|1,0,0]=3 15070 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 15071 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|0,0,2]=4 15072 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 15073 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,2,0,0,0,0|0,0,2]=4 15074 B11R0.148 CCCOCCCNCC(C)C 2230a_100011217757_100000210760 [0,2,0,0,0,0|1,0,0]=3 15075 B11R0.148 CCCOCCCNCC(C)C 270004a_100011217757_100000210432 [0,2,0,0,0,0|1,0,0]=3 15076 B11R0.148 CCCOCCCNCC(C)C 34a_100011217757_100000210624 [0,2,0,0,0,0|1,0,0]=3 15077 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|0,0,0]=2 15078 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|0,0,0]=2 15079 B11R0.148 CCCOCCCNCC(F)F 2230a_100011217757_100011934356 [0,2,0,0,0,0|2,0,0]=4 15080 B11R0.148 CCCOCCCNCC(F)F 34a_100011217757_100011934356 [0,2,0,0,0,0|2,0,0]=4 15081 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|0,0,0]=2 15082 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|0,0,0]=2 15083 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [0,2,0,0,0,0|1,0,0]=3 15084 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [0,2,0,0,0,0|1,0,0]=3 15085 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [0,2,0,0,0,0|1,0,0]=3 15086 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|0,0,0]=2 15087 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|0,0,0]=2 15088 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|0,0,0]=2 15089 B11R0.148 CCCOCCNCOC(C)C 2230a_100161115042_100000709892 [0,2,0,0,0,0|2,0,0]=4 15090 B11R0.148 CCCOCCNCOC(C)C 34a_100161115042_100000709892 [0,2,0,0,0,0|2,0,0]=4 15091 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|0,0,2]=4 15092 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|0,0,2]=4 15093 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|0,0,2]=4 15094 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [0,2,0,0,0,0|1,0,0]=3 15095 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [0,2,0,0,0,0|1,0,0]=3 15096 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [0,2,0,0,0,0|1,0,0]=3 15097 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [0,2,0,0,0,0|1,0,0]=3 15098 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [0,2,0,0,0,0|1,0,0]=3 15099 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|0,0,0]=2 15100 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|0,0,0]=2 15101 B11R0.148 CCCOCCOCCC(F)F 34a_100103093639_100011215938 [0,2,0,0,0,0|2,0,0]=4 15102 B11R0.148 CCCOCCOCCN(C)C 7a_100000752267_100000755713 [0,2,0,0,0,0|2,0,0]=4 15103 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [0,2,0,0,0,0|1,0,0]=3 15104 B11R0.148 CCCOCCOCOC(C)C 34a_100000752267_100000709892 [0,2,0,0,0,0|2,0,0]=4 15105 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|0,0,2]=4 15106 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|0,0,2]=4 15107 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [0,2,0,0,0,0|1,0,0]=3 15108 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [0,2,0,0,0,0|1,0,0]=3 15109 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|0,0,0]=2 15110 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|0,0,0]=2 15111 B11R0.148 CCCOCCSCCN(C)C 62a_100011215938_100000755713 [0,2,0,0,0,0|2,0,0]=4 15112 B11R0.148 CCCOCCSCOC(C)C 62a_100000709892_100011215938 [0,2,0,0,0,0|2,0,0]=4 15113 B11R0.148 CCCOCCSCOC(C)C 62a_100011215938_100000709892 [0,2,0,0,0,0|2,0,0]=4 15114 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,2,0,0,0,0|2,0,0]=4 15115 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,2,0,0,0,0|2,0,0]=4 15116 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,2,0,0,0,0|1,0,0]=3 15117 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,2,0,0,0,0|1,0,0]=3 15118 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|0,0,2]=4 15119 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|0,0,2]=4 15120 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,2,0,0,0,0|0,0,2]=4 15121 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,2,0,0,0,0|0,0,2]=4 15122 B11R0.148 CCCSCCNCCC(C)C 2230a_100020603323_100000210312 [0,2,0,0,0,0|1,0,0]=3 15123 B11R0.148 CCCSCCNCCC(C)C 269862a_100020603323_100000185833 [0,2,0,0,0,0|1,0,0]=3 15124 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,2,0,0,0,0|0,0,0]=2 15125 B11R0.148 CCCSCCNCOC(C)C 2230a_100020603323_100000709892 [0,2,0,0,0,0|2,0,0]=4 15126 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|0,0,2]=4 15127 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [0,2,0,0,0,0|1,0,0]=3 15128 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [0,2,0,0,0,0|1,0,0]=3 15129 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|0,0,0]=2 15130 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|0,0,0]=2 15131 B11R0.148 CCCSCCOCCN(C)C 7a_200000230433_100000755713 [0,2,0,0,0,0|2,0,0]=4 15132 B11R0.148 CCCSCCOCOC(C)C 34a_200000230433_100000709892 [0,2,0,0,0,0|2,0,0]=4 15133 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,2,0,0,0,0|2,0,0]=4 15134 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,2,0,0,0,0|1,0,0]=3 15135 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,2,0,0,0,0|1,0,0]=3 15136 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,2,0,0,0,0|0,0,2]=4 15137 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,2,0,0,0,0|0,0,2]=4 15138 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|0,0,2]=4 15139 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,2,0,0,0,0|2,0,0]=4 15140 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,2,0,0,0,0|1,0,0]=3 15141 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|0,0,2]=4 15142 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [0,2,0,0,0,0|1,0,0]=3 15143 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [0,2,0,0,0,0|1,0,0]=3 15144 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [0,2,0,0,0,0|1,0,0]=3 15145 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,2,0,0,0,0|0,0,0]=2 15146 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,2,0,0,0,0|0,0,0]=2 15147 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,2,0,0,0,0|0,0,0]=2 15148 B11R0.148 CCOCCCNCOC(C)C 2230a_100000210961_100000709892 [0,2,0,0,0,0|2,0,0]=4 15149 B11R0.148 CCOCCCNCOC(C)C 34a_100000210961_100000709892 [0,2,0,0,0,0|2,0,0]=4 15150 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|0,0,2]=4 15151 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|0,0,2]=4 15152 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|0,0,2]=4 15153 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [0,2,0,0,0,0|1,0,0]=3 15154 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [0,2,0,0,0,0|1,0,0]=3 15155 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [0,2,0,0,0,0|1,0,0]=3 15156 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [0,2,0,0,0,0|1,0,0]=3 15157 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [0,2,0,0,0,0|1,0,0]=3 15158 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,2,0,0,0,0|0,0,0]=2 15159 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,2,0,0,0,0|0,0,0]=2 15160 B11R0.148 CCOCCCOCCC(F)F 34a_100103093639_100012232248 [0,2,0,0,0,0|2,0,0]=4 15161 B11R0.148 CCOCCCOCCN(C)C 7a_100000757476_100000755713 [0,2,0,0,0,0|2,0,0]=4 15162 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [0,2,0,0,0,0|1,0,0]=3 15163 B11R0.148 CCOCCCOCOC(C)C 34a_100000757476_100000709892 [0,2,0,0,0,0|2,0,0]=4 15164 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|0,0,2]=4 15165 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|0,0,2]=4 15166 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [0,2,0,0,0,0|1,0,0]=3 15167 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [0,2,0,0,0,0|1,0,0]=3 15168 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,2,0,0,0,0|0,0,0]=2 15169 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,2,0,0,0,0|0,0,0]=2 15170 B11R0.148 CCOCCCSCCN(C)C 62a_100012232248_100000755713 [0,2,0,0,0,0|2,0,0]=4 15171 B11R0.148 CCOCCCSCOC(C)C 62a_100000709892_100012232248 [0,2,0,0,0,0|2,0,0]=4 15172 B11R0.148 CCOCCCSCOC(C)C 62a_100012232248_100000709892 [0,2,0,0,0,0|2,0,0]=4 15173 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|0,0,2]=4 15174 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [0,2,0,0,0,0|1,0,0]=3 15175 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [0,2,0,0,0,0|1,0,0]=3 15176 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [0,2,0,0,0,0|1,0,0]=3 15177 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [0,2,0,0,0,0|1,0,0]=3 15178 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,2,0,0,0,0|0,0,0]=2 15179 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,2,0,0,0,0|0,0,0]=2 15180 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,2,0,0,0,0|1,0,1]=4 15181 B11R0.148 CCOCCNCCOC(C)C 2230a_100000701111_100011215890 [0,2,0,0,0,0|2,0,0]=4 15182 B11R0.148 CCOCCNCCOC(C)C 2230a_102516460346_100000211751 [0,2,0,0,0,0|2,0,0]=4 15183 B11R0.148 CCOCCNCCOC(C)C 34a_100000701111_100000210147 [0,2,0,0,0,0|2,0,0]=4 15184 B11R0.148 CCOCCNCCOC(C)C 34a_102516460346_100000211751 [0,2,0,0,0,0|2,0,0]=4 15185 B11R0.148 CCOCCNCCSC(C)C 2230a_100000731138_100011215890 [0,2,0,0,0,0|2,0,0]=4 15186 B11R0.148 CCOCCNCCSC(C)C 2230a_102516460346_100000730970 [0,2,0,0,0,0|2,0,0]=4 15187 B11R0.148 CCOCCNCCSC(C)C 34a_100000731138_100000210147 [0,2,0,0,0,0|2,0,0]=4 15188 B11R0.148 CCOCCNCCSC(C)C 34a_102516460346_100000730970 [0,2,0,0,0,0|2,0,0]=4 15189 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|0,0,2]=4 15190 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|0,0,2]=4 15191 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|0,0,2]=4 15192 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|0,0,2]=4 15193 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [0,2,0,0,0,0|1,0,0]=3 15194 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [0,2,0,0,0,0|1,0,0]=3 15195 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [0,2,0,0,0,0|1,0,0]=3 15196 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [0,2,0,0,0,0|1,0,0]=3 15197 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,2,0,0,0,0|0,0,0]=2 15198 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,2,0,0,0,0|0,0,0]=2 15199 B11R0.148 CCOCCOCCCN(C)C 7a_100000210136_100000757444 [0,2,0,0,0,0|2,0,0]=4 15200 B11R0.148 CCOCCOCCNC(C)C 2230a_100102712874_100000210206 [0,2,0,0,0,0|2,0,0]=4 15201 B11R0.148 CCOCCOCCNC(C)C 2230a_100138425928_100011211534 [0,2,0,0,0,0|2,0,0]=4 15202 B11R0.148 CCOCCOCCNC(C)C 34a_100000224655_100000210147 [0,2,0,0,0,0|2,0,0]=4 15203 B11R0.148 CCOCCOCCNC(C)C 34a_100102712874_100000210206 [0,2,0,0,0,0|2,0,0]=4 15204 B11R0.148 CCOCCOCCNC(C)C 34a_100138425928_100011211534 [0,2,0,0,0,0|2,0,0]=4 15205 B11R0.148 CCOCCOCCOC(C)C 34a_100000210136_100000211751 [0,2,0,0,0,0|2,0,0]=4 15206 B11R0.148 CCOCCOCCOC(C)C 34a_100000210240_100000210206 [0,2,0,0,0,0|2,0,0]=4 15207 B11R0.148 CCOCCOCCOC(C)C 34a_100000211219_100000210147 [0,2,0,0,0,0|2,0,0]=4 15208 B11R0.148 CCOCCOCCOC(C)C 34a_100000212225_100011211534 [0,2,0,0,0,0|2,0,0]=4 15209 B11R0.148 CCOCCOCCOC(C)C 7a_100000210136_100000211751 [0,2,0,0,0,0|2,0,0]=4 15210 B11R0.148 CCOCCOCCOC(C)C 7a_100000210240_100000210206 [0,2,0,0,0,0|2,0,0]=4 15211 B11R0.148 CCOCCOCCOC(C)C 7a_100000211219_100011215890 [0,2,0,0,0,0|2,0,0]=4 15212 B11R0.148 CCOCCOCCSC(C)C 34a_100000210136_100000730970 [0,2,0,0,0,0|2,0,0]=4 15213 B11R0.148 CCOCCOCCSC(C)C 34a_200011212901_100000210147 [0,2,0,0,0,0|2,0,0]=4 15214 B11R0.148 CCOCCOCCSC(C)C 62a_100000210206_100011211534 [0,2,0,0,0,0|2,0,0]=4 15215 B11R0.148 CCOCCOCCSC(C)C 62a_100011211534_100000210206 [0,2,0,0,0,0|2,0,0]=4 15216 B11R0.148 CCOCCOCCSC(C)C 7a_100000210136_100000730970 [0,2,0,0,0,0|2,0,0]=4 15217 B11R0.148 CCOCCOCCSC(C)C 7a_200011212901_100011215890 [0,2,0,0,0,0|2,0,0]=4 15218 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|0,0,2]=4 15219 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|0,0,2]=4 15220 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [0,2,0,0,0,0|1,0,0]=3 15221 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [0,2,0,0,0,0|1,0,0]=3 15222 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,2,0,0,0,0|0,0,0]=2 15223 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,2,0,0,0,0|0,0,0]=2 15224 B11R0.148 CCOCCSCCCN(C)C 62a_100000210147_100000757444 [0,2,0,0,0,0|2,0,0]=4 15225 B11R0.148 CCOCCSCCOC(C)C 62a_100000210147_100000211751 [0,2,0,0,0,0|2,0,0]=4 15226 B11R0.148 CCOCCSCCOC(C)C 62a_100000211751_100011215890 [0,2,0,0,0,0|2,0,0]=4 15227 B11R0.148 CCOCCSCCSC(C)C 62a_100000210147_100000730970 [0,2,0,0,0,0|2,0,0]=4 15228 B11R0.148 CCOCCSCCSC(C)C 62a_100000730970_100011215890 [0,2,0,0,0,0|2,0,0]=4 15229 B11R0.148 CCOCSCCCCB(O)O 62a_100000739092_200009817182 [0,2,0,0,0,0|2,0,0]=4 15230 B11R0.148 CCOCSCCCCB(O)O 62a_200009817182_100000739092 [0,2,0,0,0,0|2,0,0]=4 15231 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|0,0,2]=4 15232 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|0,0,2]=4 15233 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [0,2,0,0,0,0|1,0,0]=3 15234 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [0,2,0,0,0,0|1,0,0]=3 15235 B11R0.148 CCOCSCCCCN(C)C 62a_100000739092_100000690147 [0,2,0,0,0,0|2,0,0]=4 15236 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,2,0,0,0,0|2,0,0]=4 15237 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,2,0,0,0,0|2,0,0]=4 15238 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|0,0,2]=4 15239 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|0,0,2]=4 15240 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|0,0,2]=4 15241 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [0,2,0,0,0,0|1,0,0]=3 15242 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [0,2,0,0,0,0|1,0,0]=3 15243 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,2,0,0,0,0|0,0,0]=2 15244 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,2,0,0,0,0|0,0,0]=2 15245 B11R0.148 CCSCCCOCCN(C)C 7a_100011216438_100000755713 [0,2,0,0,0,0|2,0,0]=4 15246 B11R0.148 CCSCCCOCOC(C)C 34a_100011216438_100000709892 [0,2,0,0,0,0|2,0,0]=4 15247 B11R0.148 CCSCCNCCCC(C)C 2230a_100000106463_100011214892 [0,2,0,0,0,0|1,0,0]=3 15248 B11R0.148 CCSCCNCCCC(C)C 2230a_200000737386_100000757381 [0,2,0,0,0,0|1,0,0]=3 15249 B11R0.148 CCSCCNCCCC(C)C 34a_200000737386_100000757381 [0,2,0,0,0,0|1,0,0]=3 15250 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,2,0,0,0,0|0,0,0]=2 15251 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,2,0,0,0,0|1,0,1]=4 15252 B11R0.148 CCSCCNCCOC(C)C 2230a_100000106463_100000211751 [0,2,0,0,0,0|2,0,0]=4 15253 B11R0.148 CCSCCNCCOC(C)C 2230a_100000701111_100000757381 [0,2,0,0,0,0|2,0,0]=4 15254 B11R0.148 CCSCCNCCOC(C)C 34a_100000701111_100000757381 [0,2,0,0,0,0|2,0,0]=4 15255 B11R0.148 CCSCCNCCSC(C)C 2230a_100000106463_100000730970 [0,2,0,0,0,0|2,0,0]=4 15256 B11R0.148 CCSCCNCCSC(C)C 2230a_100000731138_100000757381 [0,2,0,0,0,0|2,0,0]=4 15257 B11R0.148 CCSCCNCCSC(C)C 34a_100000731138_100000757381 [0,2,0,0,0,0|2,0,0]=4 15258 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|0,0,2]=4 15259 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|0,0,2]=4 15260 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|0,0,2]=4 15261 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|0,0,2]=4 15262 B11R0.148 CCSCCOCCCC(C)C 34a_100000210774_100000757381 [0,2,0,0,0,0|1,0,0]=3 15263 B11R0.148 CCSCCOCCCC(C)C 34a_100000212035_100011214892 [0,2,0,0,0,0|1,0,0]=3 15264 B11R0.148 CCSCCOCCCC(C)C 7a_100000210774_100000757381 [0,2,0,0,0,0|1,0,0]=3 15265 B11R0.148 CCSCCOCCCC(C)C 7a_100000212035_100011214892 [0,2,0,0,0,0|1,0,0]=3 15266 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,2,0,0,0,0|0,0,0]=2 15267 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,2,0,0,0,0|0,0,0]=2 15268 B11R0.148 CCSCCOCCCN(C)C 7a_100000212035_100000757444 [0,2,0,0,0,0|2,0,0]=4 15269 B11R0.148 CCSCCOCCNC(C)C 34a_100000224655_100000757381 [0,2,0,0,0,0|2,0,0]=4 15270 B11R0.148 CCSCCOCCOC(C)C 34a_100000211219_100000757381 [0,2,0,0,0,0|2,0,0]=4 15271 B11R0.148 CCSCCOCCOC(C)C 34a_100000212035_100000211751 [0,2,0,0,0,0|2,0,0]=4 15272 B11R0.148 CCSCCOCCOC(C)C 7a_100000211219_100000757381 [0,2,0,0,0,0|2,0,0]=4 15273 B11R0.148 CCSCCOCCOC(C)C 7a_100000212035_100000211751 [0,2,0,0,0,0|2,0,0]=4 15274 B11R0.148 CCSCCOCCSC(C)C 34a_100000212035_100000730970 [0,2,0,0,0,0|2,0,0]=4 15275 B11R0.148 CCSCCOCCSC(C)C 34a_200011212901_100000757381 [0,2,0,0,0,0|2,0,0]=4 15276 B11R0.148 CCSCCOCCSC(C)C 7a_100000212035_100000730970 [0,2,0,0,0,0|2,0,0]=4 15277 B11R0.148 CCSCCOCCSC(C)C 7a_200011212901_100000757381 [0,2,0,0,0,0|2,0,0]=4 15278 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|0,0,2]=4 15279 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|0,0,2]=4 15280 B11R0.148 CCSCCSCCCC(C)C 62a_100000757381_100011214892 [0,2,0,0,0,0|1,0,0]=3 15281 B11R0.148 CCSCCSCCCC(C)C 62a_100011214892_100000757381 [0,2,0,0,0,0|1,0,0]=3 15282 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,2,0,0,0,0|0,0,0]=2 15283 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,2,0,0,0,0|0,0,0]=2 15284 B11R0.148 CCSCCSCCCN(C)C 62a_100000757381_100000757444 [0,2,0,0,0,0|2,0,0]=4 15285 B11R0.148 CCSCCSCCOC(C)C 62a_100000211751_100000757381 [0,2,0,0,0,0|2,0,0]=4 15286 B11R0.148 CCSCCSCCOC(C)C 62a_100000757381_100000211751 [0,2,0,0,0,0|2,0,0]=4 15287 B11R0.148 CCSCCSCCSC(C)C 62a_100000730970_100000757381 [0,2,0,0,0,0|2,0,0]=4 15288 B11R0.148 CCSCCSCCSC(C)C 62a_100000757381_100000730970 [0,2,0,0,0,0|2,0,0]=4 15289 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,2,0,0,0,0|2,0,0]=4 15290 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,2,0,0,0,0|2,0,0]=4 15291 B11R0.148 CN(C)CCCCSCCCF 62a_100011934791_100000690147 [0,2,0,0,0,0|2,0,0]=4 15292 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,2,0,0,0,0|2,0,0]=4 15293 B11R0.148 CN(C)CCCOCCCCCl 7a_100000210776_100000757444 [0,2,0,0,0,0|2,0,0]=4 15294 B11R0.148 CN(C)CCCOCCCCF 7a_100011995726_100000757444 [0,2,0,0,0,0|2,0,0]=4 15295 B11R0.148 CN(C)CCCSCCCCF 62a_100000729493_100000757444 [0,2,0,0,0,0|2,0,0]=4 15296 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [0,2,0,0,0,0|2,0,0]=4 15297 B11R0.148 CN(C)CCOCCCCCBr 7a_100000746331_100000755713 [0,2,0,0,0,0|2,0,0]=4 15298 B11R0.148 CN(C)CCOCCCCCCl 7a_100000746330_100000755713 [0,2,0,0,0,0|2,0,0]=4 15299 B11R0.148 CN(C)CCOCCCCCI 7a_200012148887_100000755713 [0,2,0,0,0,0|2,0,0]=4 15300 B11R0.148 CN(C)CCSCCCCCF 62a_100000729378_100000755713 [0,2,0,0,0,0|2,0,0]=4 15301 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,2,0,0,0,0|2,0,0]=4 15302 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,2,0,0,0,0|0,0,2]=4 15303 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,2,0,0,0,0|0,0,2]=4 15304 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,2,0,0,0,0|1,0,0]=3 15305 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|0,0,0]=2 15306 B11R0.148 CNCCCCCOCC(F)F 34a_100000722520_100011934356 [0,2,0,0,0,0|2,0,0]=4 15307 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|0,0,0]=2 15308 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,2,0,0,0,0|0,0,2]=4 15309 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,2,0,0,0,0|1,0,0]=3 15310 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,2,0,0,0,0|0,0,0]=2 15311 B11R0.148 CNCCCOCCOC(C)C 34a_100000213112_100000211751 [0,2,0,0,0,0|2,0,0]=4 15312 B11R0.148 CNCCCOCCSC(C)C 34a_100000213112_100000730970 [0,2,0,0,0,0|2,0,0]=4 15313 B11R0.148 CNCCOCCOCC(C)C 34a_100000228057_100000210624 [0,2,0,0,0,0|2,0,0]=4 15314 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [0,2,0,0,0,0|1,0,0]=3 15315 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [0,2,0,0,0,0|1,0,0]=3 15316 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,2,0,0,0,0|1,0,0]=3 15317 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,2,0,0,0,0|1,0,0]=3 15318 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,2,0,0,0,0|1,0,0]=3 15319 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,2,0,0,0,0|1,0,0]=3 15320 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,2,0,0,0,0|1,0,0]=3 15321 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,2,0,0,0,0|1,0,0]=3 15322 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,2,0,0,0,0|1,0,0]=3 15323 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,2,0,0,0,0|1,0,0]=3 15324 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,2,0,0,0,0|1,0,0]=3 15325 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,2,0,0,0,0|1,0,0]=3 15326 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,2,0,0,0,0|1,0,0]=3 15327 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,2,0,0,0,0|1,0,0]=3 15328 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|0,0,0]=2 15329 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|0,0,0]=2 15330 B11R0.148 COCCCCCNCC(F)F 2230a_100000747528_100011934356 [0,2,0,0,0,0|2,0,0]=4 15331 B11R0.148 COCCCCCNCC(F)F 34a_100000747528_100011934356 [0,2,0,0,0,0|2,0,0]=4 15332 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|0,0,0]=2 15333 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|0,0,0]=2 15334 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,2,0,0,0,0|0,0,0]=2 15335 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|0,0,2]=4 15336 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|0,0,2]=4 15337 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,2,0,0,0,0|1,0,0]=3 15338 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,2,0,0,0,0|1,0,0]=3 15339 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,2,0,0,0,0|1,0,0]=3 15340 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,2,0,0,0,0|1,0,0]=3 15341 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,2,0,0,0,0|0,0,0]=2 15342 B11R0.148 COCCCCOCCC(F)F 34a_100103093639_100000755781 [0,2,0,0,0,0|2,0,0]=4 15343 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,2,0,0,0,0|1,0,0]=3 15344 B11R0.148 COCCCCOCOC(C)C 34a_100000740925_100000709892 [0,2,0,0,0,0|2,0,0]=4 15345 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|0,0,2]=4 15346 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|0,0,2]=4 15347 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,2,0,0,0,0|1,0,0]=3 15348 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,2,0,0,0,0|1,0,0]=3 15349 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,2,0,0,0,0|0,0,0]=2 15350 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,2,0,0,0,0|0,0,0]=2 15351 B11R0.148 COCCCCSCCN(C)C 62a_100000730899_100000755713 [0,2,0,0,0,0|2,0,0]=4 15352 B11R0.148 COCCCCSCOC(C)C 62a_100000709892_100000730899 [0,2,0,0,0,0|2,0,0]=4 15353 B11R0.148 COCCCCSCOC(C)C 62a_100000730899_100000709892 [0,2,0,0,0,0|2,0,0]=4 15354 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|0,0,2]=4 15355 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,2,0,0,0,0|1,0,0]=3 15356 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,2,0,0,0,0|1,0,0]=3 15357 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,2,0,0,0,0|1,0,0]=3 15358 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,2,0,0,0,0|0,0,0]=2 15359 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,2,0,0,0,0|1,0,1]=4 15360 B11R0.148 COCCCNCCOC(C)C 2230a_100000701111_100000740836 [0,2,0,0,0,0|2,0,0]=4 15361 B11R0.148 COCCCNCCOC(C)C 34a_100000701111_100000740836 [0,2,0,0,0,0|2,0,0]=4 15362 B11R0.148 COCCCNCCOC(C)C 34a_100150723488_100000211751 [0,2,0,0,0,0|2,0,0]=4 15363 B11R0.148 COCCCNCCSC(C)C 2230a_100000731138_100000740836 [0,2,0,0,0,0|2,0,0]=4 15364 B11R0.148 COCCCNCCSC(C)C 34a_100000731138_100000740836 [0,2,0,0,0,0|2,0,0]=4 15365 B11R0.148 COCCCNCCSC(C)C 34a_100150723488_100000730970 [0,2,0,0,0,0|2,0,0]=4 15366 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|0,0,2]=4 15367 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|0,0,2]=4 15368 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|0,0,2]=4 15369 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,2,0,0,0,0|1,0,0]=3 15370 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,2,0,0,0,0|1,0,0]=3 15371 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,2,0,0,0,0|1,0,0]=3 15372 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,2,0,0,0,0|0,0,0]=2 15373 B11R0.148 COCCCOCCNC(C)C 34a_100000224655_100000740836 [0,2,0,0,0,0|2,0,0]=4 15374 B11R0.148 COCCCOCCOC(C)C 34a_100000211219_100000740836 [0,2,0,0,0,0|2,0,0]=4 15375 B11R0.148 COCCCOCCOC(C)C 34a_100000740835_100000211751 [0,2,0,0,0,0|2,0,0]=4 15376 B11R0.148 COCCCOCCOC(C)C 7a_100000211219_100000740836 [0,2,0,0,0,0|2,0,0]=4 15377 B11R0.148 COCCCOCCSC(C)C 34a_100000740835_100000730970 [0,2,0,0,0,0|2,0,0]=4 15378 B11R0.148 COCCCOCCSC(C)C 34a_200011212901_100000740836 [0,2,0,0,0,0|2,0,0]=4 15379 B11R0.148 COCCCOCCSC(C)C 7a_200011212901_100000740836 [0,2,0,0,0,0|2,0,0]=4 15380 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|0,0,2]=4 15381 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|0,0,2]=4 15382 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,2,0,0,0,0|1,0,0]=3 15383 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,2,0,0,0,0|1,0,0]=3 15384 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,2,0,0,0,0|0,0,0]=2 15385 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,2,0,0,0,0|0,0,0]=2 15386 B11R0.148 COCCCSCCCN(C)C 62a_100000709357_100000757444 [0,2,0,0,0,0|2,0,0]=4 15387 B11R0.148 COCCCSCCOC(C)C 62a_100000211751_100000709357 [0,2,0,0,0,0|2,0,0]=4 15388 B11R0.148 COCCCSCCOC(C)C 62a_100000709357_100000211751 [0,2,0,0,0,0|2,0,0]=4 15389 B11R0.148 COCCCSCCSC(C)C 62a_100000709357_100000730970 [0,2,0,0,0,0|2,0,0]=4 15390 B11R0.148 COCCCSCCSC(C)C 62a_100000730970_100000709357 [0,2,0,0,0,0|2,0,0]=4 15391 B11R0.148 COCCNCCCCB(O)O 2230a_100000209980_200009817182 [0,2,0,0,0,0|2,0,0]=4 15392 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,2,0,0,0,0|1,0,0]=3 15393 B11R0.148 COCCNCCCOC(C)C 2230a_100000737246_100011201679 [0,2,0,0,0,0|2,0,0]=4 15394 B11R0.148 COCCNCCCOC(C)C 34a_100000737246_100011201679 [0,2,0,0,0,0|2,0,0]=4 15395 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,2,0,0,0,0|2,0,0]=4 15396 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|0,0,2]=4 15397 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,2,0,0,0,0|1,0,0]=3 15398 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,2,0,0,0,0|1,0,0]=3 15399 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,2,0,0,0,0|1,0,0]=3 15400 B11R0.148 COCCOCCCNC(C)C 2230a_100000206027_100000210206 [0,2,0,0,0,0|2,0,0]=4 15401 B11R0.148 COCCOCCCNC(C)C 2230a_100138425928_100011216529 [0,2,0,0,0,0|2,0,0]=4 15402 B11R0.148 COCCOCCCNC(C)C 34a_100000182298_100011201679 [0,2,0,0,0,0|2,0,0]=4 15403 B11R0.148 COCCOCCCNC(C)C 34a_100000206027_100000210206 [0,2,0,0,0,0|2,0,0]=4 15404 B11R0.148 COCCOCCCNC(C)C 34a_100138425928_100011216529 [0,2,0,0,0,0|2,0,0]=4 15405 B11R0.148 COCCOCCCOC(C)C 34a_100000212225_100011216529 [0,2,0,0,0,0|2,0,0]=4 15406 B11R0.148 COCCOCCCSC(C)C 62a_100000210206_100011216529 [0,2,0,0,0,0|2,0,0]=4 15407 B11R0.148 COCCOCCCSC(C)C 62a_100011216529_100000210206 [0,2,0,0,0,0|2,0,0]=4 15408 B11R0.148 COCCOCCNCC(C)C 2230a_100000210953_100000695917 [0,2,0,0,0,0|2,0,0]=4 15409 B11R0.148 COCCOCCNCC(C)C 2230a_100000745349_100000210760 [0,2,0,0,0,0|2,0,0]=4 15410 B11R0.148 COCCOCCNCC(C)C 270004a_100000745349_100000210432 [0,2,0,0,0,0|2,0,0]=4 15411 B11R0.148 COCCOCCNCC(C)C 34a_100000210953_100000695917 [0,2,0,0,0,0|2,0,0]=4 15412 B11R0.148 COCCOCCNCC(C)C 34a_100000745349_100000210624 [0,2,0,0,0,0|2,0,0]=4 15413 B11R0.148 COCCOCCNCC(C)C 34a_100015185251_100011201679 [0,2,0,0,0,0|2,0,0]=4 15414 B11R0.148 COCCOCCNCC(C)O 2230a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 15415 B11R0.148 COCCOCCNCC(C)O 2230a_100000745349_100011218427 [0,2,0,0,0,0|1,0,0]=3 15416 B11R0.148 COCCOCCNCC(C)O 34a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 15417 B11R0.148 COCCOCCNCC(C)O 34a_100000745349_100011218427 [0,2,0,0,0,0|1,0,0]=3 15418 B11R0.148 COCCOCCNC[C@@H](C)O 2230a_100000745349_100009817552 [0,2,0,0,0,0|1,0,0]=3 15419 B11R0.148 COCCOCCNC[C@@H](C)O 34a_100000745349_100009817552 [0,2,0,0,0,0|1,0,0]=3 15420 B11R0.148 COCCOCCOCC(C)Br 34a_100012180447_100000695917 [0,2,0,0,0,0|2,0,0]=4 15421 B11R0.148 COCCOCCOCC(C)C 34a_100000210257_100000695917 [0,2,0,0,0,0|2,0,0]=4 15422 B11R0.148 COCCOCCOCC(C)C 34a_100000703358_100011201679 [0,2,0,0,0,0|2,0,0]=4 15423 B11R0.148 COCCOCCOCC(C)C 34a_100011215163_100000210624 [0,2,0,0,0,0|2,0,0]=4 15424 B11R0.148 COCCOCCOCC(C)C 7a_100000703358_100000233755 [0,2,0,0,0,0|2,0,0]=4 15425 B11R0.148 COCCOCCOCC(C)C 7a_100011215163_100000210760 [0,2,0,0,0,0|2,0,0]=4 15426 B11R0.148 COCCOCCOCC(C)F 34a_100015925927_100000695917 [0,2,0,0,0,0|2,0,0]=4 15427 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [0,2,0,0,0,0|1,0,0]=3 15428 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [0,2,0,0,0,0|1,0,0]=3 15429 B11R0.148 COCCOCCOC[C@@H](C)Cl 34a_100016084084_100000695917 [0,2,0,0,0,0|2,0,0]=4 15430 B11R0.148 COCCOCCOC[C@@H](C)N 34a_100000737577_100000695917 [0,2,0,0,0,0|2,0,0]=4 15431 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [0,2,0,0,0,0|1,0,0]=3 15432 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [0,2,0,0,0,0|1,0,0]=3 15433 B11R0.148 COCCOCCSCC(C)C 34a_200000230437_100011201679 [0,2,0,0,0,0|2,0,0]=4 15434 B11R0.148 COCCOCCSCC(C)C 62a_100000210624_100000695917 [0,2,0,0,0,0|2,0,0]=4 15435 B11R0.148 COCCOCCSCC(C)C 62a_100000695917_100000210760 [0,2,0,0,0,0|2,0,0]=4 15436 B11R0.148 COCCOCCSCC(C)C 7a_200000230437_100000233755 [0,2,0,0,0,0|2,0,0]=4 15437 B11R0.148 COCCOCCSCC(C)O 62a_100000695917_100011218427 [0,2,0,0,0,0|1,0,0]=3 15438 B11R0.148 COCCOCCSCC(C)O 62a_100011218427_100000695917 [0,2,0,0,0,0|1,0,0]=3 15439 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100000695917_100009817552 [0,2,0,0,0,0|1,0,0]=3 15440 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100009817552_100000695917 [0,2,0,0,0,0|1,0,0]=3 15441 B11R0.148 COCCOCNCCC(C)O 2230a_200000755665_100000231047 [0,2,0,0,0,0|1,0,0]=3 15442 B11R0.148 COCCOCSCCC(C)C 62a_100000210312_100000231047 [0,2,0,0,0,0|2,0,0]=4 15443 B11R0.148 COCCOCSCCC(C)C 62a_100000231047_100000210312 [0,2,0,0,0,0|2,0,0]=4 15444 B11R0.148 COCCOCSCCC(C)O 62a_100000231047_100012276601 [0,2,0,0,0,0|1,0,0]=3 15445 B11R0.148 COCCOCSCCC(C)O 62a_100012276601_100000231047 [0,2,0,0,0,0|1,0,0]=3 15446 B11R0.148 COCCSCCCCB(O)O 62a_100000233755_200009817182 [0,2,0,0,0,0|2,0,0]=4 15447 B11R0.148 COCCSCCCCB(O)O 62a_200009817182_100000233755 [0,2,0,0,0,0|2,0,0]=4 15448 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|0,0,2]=4 15449 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|0,0,2]=4 15450 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,2,0,0,0,0|1,0,0]=3 15451 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,2,0,0,0,0|1,0,0]=3 15452 B11R0.148 COCCSCCCCN(C)C 62a_100000233755_100000690147 [0,2,0,0,0,0|2,0,0]=4 15453 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,2,0,0,0,0|1,0,0]=3 15454 B11R0.148 COCNCCCOCC(C)C 2230a_100000205972_100000766300 [0,2,0,0,0,0|2,0,0]=4 15455 B11R0.148 COCSCCCCCB(O)O 62a_100000766300_200009817188 [0,2,0,0,0,0|2,0,0]=4 15456 B11R0.148 COCSCCCCCB(O)O 62a_200009817188_100000766300 [0,2,0,0,0,0|2,0,0]=4 15457 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,2,0,0,0,0|1,0,0]=3 15458 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,2,0,0,0,0|1,0,0]=3 15459 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,2,0,0,0,0|1,0,1]=4 15460 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,2,0,0,0,0|1,0,1]=4 15461 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,2,0,0,0,0|0,0,2]=4 15462 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,2,0,0,0,0|1,0,0]=3 15463 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,2,0,0,0,0|1,0,0]=3 15464 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,2,0,0,0,0|0,0,0]=2 15465 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,2,0,0,0,0|0,0,0]=2 15466 B11R0.148 CSCCCCOCCN(C)C 7a_100011217163_100000755713 [0,2,0,0,0,0|2,0,0]=4 15467 B11R0.148 CSCCCCOCOC(C)C 34a_100011217163_100000709892 [0,2,0,0,0,0|2,0,0]=4 15468 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,2,0,0,0,0|1,0,0]=3 15469 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,2,0,0,0,0|0,0,0]=2 15470 B11R0.148 CSCCCNCCOC(C)C 2230a_100000749238_100000211751 [0,2,0,0,0,0|2,0,0]=4 15471 B11R0.148 CSCCCNCCSC(C)C 2230a_100000749238_100000730970 [0,2,0,0,0,0|2,0,0]=4 15472 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,2,0,0,0,0|0,0,2]=4 15473 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,2,0,0,0,0|0,0,2]=4 15474 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,2,0,0,0,0|1,0,0]=3 15475 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,2,0,0,0,0|1,0,0]=3 15476 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,2,0,0,0,0|0,0,0]=2 15477 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,2,0,0,0,0|0,0,0]=2 15478 B11R0.148 CSCCCOCCCN(C)C 7a_100000690336_100000757444 [0,2,0,0,0,0|2,0,0]=4 15479 B11R0.148 CSCCCOCCOC(C)C 34a_100000690336_100000211751 [0,2,0,0,0,0|2,0,0]=4 15480 B11R0.148 CSCCCOCCOC(C)C 7a_100000690336_100000211751 [0,2,0,0,0,0|2,0,0]=4 15481 B11R0.148 CSCCCOCCSC(C)C 34a_100000690336_100000730970 [0,2,0,0,0,0|2,0,0]=4 15482 B11R0.148 CSCCCOCCSC(C)C 7a_100000690336_100000730970 [0,2,0,0,0,0|2,0,0]=4 15483 B11R0.148 CSCCNCCCCB(O)O 2230a_100020590264_200009817182 [0,2,0,0,0,0|2,0,0]=4 15484 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,2,0,0,0,0|1,0,0]=3 15485 B11R0.148 CSCCNCCCOC(C)C 2230a_100000737246_100000751147 [0,2,0,0,0,0|2,0,0]=4 15486 B11R0.148 CSCCNCCCOC(C)C 34a_100000737246_100000212216 [0,2,0,0,0,0|2,0,0]=4 15487 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,2,0,0,0,0|2,0,0]=4 15488 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,2,0,0,0,0|2,0,0]=4 15489 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|0,0,2]=4 15490 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|0,0,2]=4 15491 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,2,0,0,0,0|1,0,0]=3 15492 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,2,0,0,0,0|1,0,0]=3 15493 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,2,0,0,0,0|1,0,0]=3 15494 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,2,0,0,0,0|1,0,0]=3 15495 B11R0.148 CSCCOCCCNC(C)C 34a_100000182298_100000212216 [0,2,0,0,0,0|2,0,0]=4 15496 B11R0.148 CSCCOCCNCC(C)C 34a_100015185251_100000212216 [0,2,0,0,0,0|2,0,0]=4 15497 B11R0.148 CSCCOCCOCC(C)C 34a_100000703358_100000212216 [0,2,0,0,0,0|2,0,0]=4 15498 B11R0.148 CSCCOCCOCC(C)C 7a_100000703358_100000212216 [0,2,0,0,0,0|2,0,0]=4 15499 B11R0.148 CSCCOCCSCC(C)C 34a_200000230437_100000212216 [0,2,0,0,0,0|2,0,0]=4 15500 B11R0.148 CSCCOCCSCC(C)C 7a_200000230437_100000212216 [0,2,0,0,0,0|2,0,0]=4 15501 B11R0.148 CSCCSCCCCB(O)O 62a_100000212216_200009817182 [0,2,0,0,0,0|2,0,0]=4 15502 B11R0.148 CSCCSCCCCB(O)O 62a_200009817182_100000751147 [0,2,0,0,0,0|2,0,0]=4 15503 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|0,0,2]=4 15504 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|0,0,2]=4 15505 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,2,0,0,0,0|1,0,0]=3 15506 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,2,0,0,0,0|1,0,0]=3 15507 B11R0.148 CSCCSCCCCN(C)C 62a_100000212216_100000690147 [0,2,0,0,0,0|2,0,0]=4 15508 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,2,0,0,0,0|1,0,0]=3 15509 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,2,0,0,0,0|1,0,0]=3 15510 B11R0.148 CSCNCCCOCC(C)C 2230a_100000205972_100011218213 [0,2,0,0,0,0|2,0,0]=4 15511 B11R0.148 CSCNCCCOCC(C)C 34a_100000205972_100011218213 [0,2,0,0,0,0|2,0,0]=4 15512 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,2,0,0,0,0|1,0,0]=3 15513 B11R0.148 CSCOCCCCNC(C)C 34a_100011521146_100011218213 [0,2,0,0,0,0|2,0,0]=4 15514 B11R0.148 CSCSCCCCCB(O)O 62a_100011218213_200009817188 [0,2,0,0,0,0|2,0,0]=4 15515 B11R0.148 CSCSCCCCCB(O)O 62a_200009817188_100011218213 [0,2,0,0,0,0|2,0,0]=4 15516 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,2,0,0,0,0|1,0,0]=3 15517 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,2,0,0,0,0|1,0,0]=3 15518 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,2,0,0,0,0|1,0,0]=3 15519 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|1,0,0]=3 15520 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|1,0,0]=3 15521 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|1,0,0]=3 15522 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|2,0,0]=4 15523 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,2,0,0,0,0|1,0,0]=3 15524 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|1,0,0]=3 15525 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|0,0,0]=2 15526 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|0,0,0]=2 15527 B11R0.148 C[C@@H](O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100009817552 [0,2,0,0,0,0|2,0,0]=4 15528 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|0,0,0]=2 15529 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|0,0,0]=2 15530 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|0,0,0]=2 15531 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|0,0,0]=2 15532 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|0,0,0]=2 15533 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|0,0,0]=2 15534 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|0,0,0]=2 15535 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009813376_100009817552 [0,2,0,0,0,0|0,0,1]=3 15536 B11R0.148 C[C@@H](O)CSCCCCCC#N 62a_100009817552_100009813376 [0,2,0,0,0,0|0,0,1]=3 15537 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,2,0,0,0,0|0,0,1]=3 15538 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,2,0,0,0,0|0,0,1]=3 15539 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,2,0,0,0,0|0,0,0]=2 15540 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,2,0,0,0,0|0,0,0]=2 15541 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|0,0,0]=2 15542 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|0,0,0]=2 15543 B11R0.148 FC(F)COCCCCCCBr 34a_100011215345_100011934356 [0,2,0,0,0,0|2,0,0]=4 15544 B11R0.148 FC(F)COCCCCCCBr 7a_100011215345_100011934356 [0,2,0,0,0,0|2,0,0]=4 15545 B11R0.148 FC(F)COCCCCCCCl 34a_100000766143_100011934356 [0,2,0,0,0,0|2,0,0]=4 15546 B11R0.148 FC(F)COCCCCCCCl 7a_100000766143_100011934356 [0,2,0,0,0,0|2,0,0]=4 15547 B11R0.148 FCCCCCCNCC(F)F 34a_100000765723_100015922095 [0,2,0,0,0,0|2,0,0]=4 15548 B11R0.148 FCCCCCCOCC(F)F 34a_100000732779_100011934356 [0,2,0,0,0,0|2,0,0]=4 15549 B11R0.148 FCCCCCCOCC(F)F 34a_100000743014_100015922095 [0,2,0,0,0,0|2,0,0]=4 15550 B11R0.148 FCCCCCCOCC(F)F 7a_100000732779_100011934356 [0,2,0,0,0,0|2,0,0]=4 15551 B11R0.148 FCCCCCCSCC(F)F 62a_100011934356_100015922095 [0,2,0,0,0,0|2,0,0]=4 15552 B11R0.148 FCCCCCCSCC(F)F 62a_100015922095_100011934356 [0,2,0,0,0,0|2,0,0]=4 15553 B11R0.148 FCCCCCOCCC(F)F 34a_100103093639_100000729378 [0,2,0,0,0,0|2,0,0]=4 15554 B11R0.148 NCCCCCCOCC(F)F 34a_100000686447_100011934356 [0,2,0,0,0,0|2,0,0]=4 15555 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,2,0,0,0,0|2,0,0]=4 15556 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,2,0,0,0,0|2,0,0]=4 15557 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,2,0,0,0,0|1,0,1]=4 15558 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,2,0,0,0,0|1,0,1]=4 15559 B11R0.148 OB(O)CCCCCCSCF 62a_100009817187_100015361967 [0,2,0,0,0,0|2,0,0]=4 15560 B11R0.148 OB(O)CCCCCCSCF 62a_100015361967_100009817187 [0,2,0,0,0,0|2,0,0]=4 15561 B11R0.148 OB(O)CCCCCNCCF 34a_100000724931_200009817188 [0,2,0,0,0,0|2,0,0]=4 15562 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,2,0,0,0,0|2,0,0]=4 15563 B11R0.148 OB(O)CCCCCSCCF 62a_100011217306_200009817188 [0,2,0,0,0,0|2,0,0]=4 15564 B11R0.148 OB(O)CCCCCSCCF 62a_200009817188_100011217306 [0,2,0,0,0,0|2,0,0]=4 15565 B11R0.148 OB(O)CCCCNCCCF 2230a_100015189416_200009817182 [0,2,0,0,0,0|2,0,0]=4 15566 B11R0.148 OB(O)CCCCNCCCF 34a_100015189416_200009817182 [0,2,0,0,0,0|2,0,0]=4 15567 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,2,0,0,0,0|2,0,0]=4 15568 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,2,0,0,0,0|2,0,0]=4 15569 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,2,0,0,0,0|2,0,0]=4 15570 B11R0.148 OB(O)CCCCSCCCF 62a_100011934791_200009817182 [0,2,0,0,0,0|2,0,0]=4 15571 B11R0.148 OB(O)CCCCSCCCF 62a_200009817182_100011934791 [0,2,0,0,0,0|2,0,0]=4 15572 B11R0.148 OCCCCCCNCC(F)F 2230a_100000686447_100011934356 [0,2,0,0,0,0|2,0,0]=4 15573 B11R0.148 OCCCCCCNCC(F)F 34a_100000686447_100011934356 [0,2,0,0,0,0|2,0,0]=4 15574 B11R0.148 OCCCCCCNCC(F)F 34a_100000765723_100000766143 [0,2,0,0,0,0|2,0,0]=4 15575 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [0,2,0,0,0,0|2,0,0]=4 15576 B11R0.148 OCCCCCCSCC(F)F 62a_100000766143_100011934356 [0,2,0,0,0,0|2,0,0]=4 15577 B11R0.148 OCCCCCCSCC(F)F 62a_100011934356_100000766143 [0,2,0,0,0,0|2,0,0]=4 15578 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [0,2,0,0,0,0|2,0,0]=4 15579 B11R0.148 OCCCSCCCCB(O)O 62a_100011215043_200009817182 [0,2,0,0,0,0|2,0,0]=4 15580 B11R0.148 OCCCSCCCCB(O)O 62a_200009817182_100011215043 [0,2,0,0,0,0|2,0,0]=4 15581 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,2,0,0,0,0|2,0,0]=4 15582 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,2,0,0,0,0|2,0,0]=4 15583 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,2,0,0,0,0|2,0,0]=4 15584 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,2,0,0,0,0|2,0,0]=4 15585 B11R0.159 C#CCCCCNCC(C)(C)O 2230a_100000751335_100010269958 [0,2,0,0,0,0|0,0,2]=4 15586 B11R0.159 C#CCCCCNCC(C)(C)O 34a_100000706060_100000764493 [0,2,0,0,0,0|0,0,2]=4 15587 B11R0.159 C#CCCCCOCC(C)(C)O 34a_100000766709_100000764493 [0,2,0,0,0,0|0,0,2]=4 15588 B11R0.159 C#CCCCCOCC(C)(C)O 7a_100000766709_100000764493 [0,2,0,0,0,0|0,0,2]=4 15589 B11R0.159 C#CCCCCSCC(C)(C)O 62a_100000764493_100010269958 [0,2,0,0,0,0|0,0,2]=4 15590 B11R0.159 C#CCCCCSCC(C)(C)O 62a_100010269958_100000764493 [0,2,0,0,0,0|0,0,2]=4 15591 B11R0.159 C#CCCCNCCC(C)(C)O 34a_100000718082_100000702414 [0,2,0,0,0,0|0,0,2]=4 15592 B11R0.159 C#CCCCOCCC(C)(C)O 34a_100000215630_100000702414 [0,2,0,0,0,0|0,0,2]=4 15593 B11R0.159 C#CCCCOCCC(C)(C)O 7a_100000215630_100000702414 [0,2,0,0,0,0|0,0,2]=4 15594 B11R0.159 C#CCCCSCCC(C)(C)O 62a_100000702414_100011215417 [0,2,0,0,0,0|0,0,2]=4 15595 B11R0.159 C#CCCCSCCC(C)(C)O 62a_100011215417_100000702414 [0,2,0,0,0,0|0,0,2]=4 15596 B11R0.159 C#CCCNCCCC(C)(C)O 34a_100000755551_100009888830 [0,2,0,0,0,0|0,0,2]=4 15597 B11R0.159 C#CCCOCCCC(C)(C)O 34a_100011215631_100009888830 [0,2,0,0,0,0|0,0,2]=4 15598 B11R0.159 C#CCCSCCCC(C)(C)O 62a_100000688953_100009888830 [0,2,0,0,0,0|0,0,2]=4 15599 B11R0.159 C#CCCSCCCC(C)(C)O 62a_100009888830_100000688953 [0,2,0,0,0,0|0,0,2]=4 15600 B11R0.159 C/C=C/CCOCCC(C)(C)O 34a_100016278192_100000702414 [0,2,0,0,0,0|0,0,2]=4 15601 B11R0.159 C/C=C/COCCCC(C)(C)O 34a_100016270725_100009888830 [0,2,0,0,0,0|0,0,2]=4 15602 B11R0.159 C/C=C/CSCCCC(C)(C)O 62a_100009888830_100102629194 [0,2,0,0,0,0|0,0,2]=4 15603 B11R0.159 C/C=C/CSCCCC(C)(C)O 62a_100102629194_100009888830 [0,2,0,0,0,0|0,0,2]=4 15604 B11R0.159 C=CCCCCNCC(C)(C)O 2230a_100000751335_100011215482 [0,2,0,0,0,0|0,0,2]=4 15605 B11R0.159 C=CCCCCNCC(C)(C)O 34a_100000703577_100000764493 [0,2,0,0,0,0|0,0,2]=4 15606 B11R0.159 C=CCCCCOCC(C)(C)O 34a_100000766645_100000764493 [0,2,0,0,0,0|0,0,2]=4 15607 B11R0.159 C=CCCCCOCC(C)(C)O 7a_100000766645_100000764493 [0,2,0,0,0,0|0,0,2]=4 15608 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100000764493_100011215482 [0,2,0,0,0,0|0,0,2]=4 15609 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100011215482_100000764493 [0,2,0,0,0,0|0,0,2]=4 15610 B11R0.159 C=CCCCNCCC(C)(C)O 2230a_100000700776_100000702414 [0,2,0,0,0,0|0,0,2]=4 15611 B11R0.159 C=CCCCNCCC(C)(C)O 34a_100000700776_100000702414 [0,2,0,0,0,0|0,0,2]=4 15612 B11R0.159 C=CCCCOCCC(C)(C)O 34a_100000758997_100000702414 [0,2,0,0,0,0|0,0,2]=4 15613 B11R0.159 C=CCCCOCCC(C)(C)O 7a_100000758997_100000702414 [0,2,0,0,0,0|0,0,2]=4 15614 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100000702414_100000757094 [0,2,0,0,0,0|0,0,2]=4 15615 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100011713584_100000702414 [0,2,0,0,0,0|0,0,2]=4 15616 B11R0.159 C=CCCNCCCC(C)(C)O 2230a_100015191253_100009888830 [0,2,0,0,0,0|0,0,2]=4 15617 B11R0.159 C=CCCOCCCC(C)(C)O 34a_100011205117_100009888830 [0,2,0,0,0,0|0,0,2]=4 15618 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100000754431_100009888830 [0,2,0,0,0,0|0,0,2]=4 15619 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100009888830_100000754431 [0,2,0,0,0,0|0,0,2]=4 15620 B11R0.159 CC#CCCOCCC(C)(C)O 34a_100000750427_100000702414 [0,2,0,0,0,0|0,0,2]=4 15621 B11R0.159 CC#CCNCCCC(C)(C)O 2230a_100000685387_100009888830 [0,2,0,0,0,0|0,0,2]=4 15622 B11R0.159 CC#CCNCCCC(C)(C)O 34a_100000685387_100009888830 [0,2,0,0,0,0|0,0,2]=4 15623 B11R0.159 CC#CCOCCCC(C)(C)O 34a_100000761923_100009888830 [0,2,0,0,0,0|0,0,2]=4 15624 B11R0.159 CC#CCSCCCC(C)(C)O 62a_100000748600_100009888830 [0,2,0,0,0,0|0,0,2]=4 15625 B11R0.159 CC#CCSCCCC(C)(C)O 62a_100009888830_100000748600 [0,2,0,0,0,0|0,0,2]=4 15626 B11R0.159 CC(C)(C)CCNCCCCF 2230a_100000738805_100000729493 [0,2,0,0,0,0|2,0,0]=4 15627 B11R0.159 CC(C)(C)CCNCCCCO 2230a_100000738805_100000210776 [0,2,0,0,0,0|2,0,0]=4 15628 B11R0.159 CC(C)(C)CCNCCCCO 2230a_100000750430_100000755188 [0,2,0,0,0,0|2,0,0]=4 15629 B11R0.159 CC(C)(C)CCNCCCCO 34a_100000750430_100000755188 [0,2,0,0,0,0|2,0,0]=4 15630 B11R0.159 CC(C)(C)CCOCCCCBr 34a_100011216708_100000755188 [0,2,0,0,0,0|2,0,0]=4 15631 B11R0.159 CC(C)(C)CCOCCCCCl 34a_100000210776_100000755188 [0,2,0,0,0,0|2,0,0]=4 15632 B11R0.159 CC(C)(C)CCOCCCCCl 7a_100000210776_100000755188 [0,2,0,0,0,0|2,0,0]=4 15633 B11R0.159 CC(C)(C)CCOCCCCF 34a_100011995726_100000755188 [0,2,0,0,0,0|2,0,0]=4 15634 B11R0.159 CC(C)(C)CCOCCCCF 7a_100000765024_100000729493 [0,2,0,0,0,0|2,0,0]=4 15635 B11R0.159 CC(C)(C)CCOCCCCF 7a_100011995726_100000755188 [0,2,0,0,0,0|2,0,0]=4 15636 B11R0.159 CC(C)(C)CCOCCCCI 34a_200012148704_100000755188 [0,2,0,0,0,0|2,0,0]=4 15637 B11R0.159 CC(C)(C)CCOCCCCN 34a_100000750430_100000755188 [0,2,0,0,0,0|2,0,0]=4 15638 B11R0.159 CC(C)(C)CCOCCCCO 7a_100000765024_100000210776 [0,2,0,0,0,0|2,0,0]=4 15639 B11R0.159 CC(C)(C)CCSCCCCF 62a_100000729493_100000755188 [0,2,0,0,0,0|2,0,0]=4 15640 B11R0.159 CC(C)(C)CCSCCCCF 62a_100000755188_100000729493 [0,2,0,0,0,0|2,0,0]=4 15641 B11R0.159 CC(C)(C)CCSCCCCO 62a_100000210776_100000755188 [0,2,0,0,0,0|2,0,0]=4 15642 B11R0.159 CC(C)(C)CCSCCCCO 62a_100000755188_100000210776 [0,2,0,0,0,0|2,0,0]=4 15643 B11R0.159 CC(C)(C)CNCCCCCF 2230a_100000743828_100000729378 [0,2,0,0,0,0|2,0,0]=4 15644 B11R0.159 CC(C)(C)CNCCCCCO 2230a_100000743828_100000746330 [0,2,0,0,0,0|2,0,0]=4 15645 B11R0.159 CC(C)(C)CNCCCCCO 270004a_100000762737_100011204126 [0,2,0,0,0,0|2,0,0]=4 15646 B11R0.159 CC(C)(C)CNCCCCCO 34a_100000762737_100011219605 [0,2,0,0,0,0|2,0,0]=4 15647 B11R0.159 CC(C)(C)COCCCCCBr 34a_100000746331_100011219605 [0,2,0,0,0,0|2,0,0]=4 15648 B11R0.159 CC(C)(C)COCCCCCCl 34a_100000746330_100011219605 [0,2,0,0,0,0|2,0,0]=4 15649 B11R0.159 CC(C)(C)COCCCCCI 34a_200012148887_100011219605 [0,2,0,0,0,0|2,0,0]=4 15650 B11R0.159 CC(C)(C)COCCCCCN 34a_100000762737_100011219605 [0,2,0,0,0,0|2,0,0]=4 15651 B11R0.159 CC(C)(C)CSCCCCCF 62a_100000729378_100011219605 [0,2,0,0,0,0|2,0,0]=4 15652 B11R0.159 CC(C)(C)CSCCCCCF 62a_100011219605_100000729378 [0,2,0,0,0,0|2,0,0]=4 15653 B11R0.159 CC(C)(C)CSCCCCCO 62a_100000746330_100011219605 [0,2,0,0,0,0|2,0,0]=4 15654 B11R0.159 CC(C)(C)CSCCCCCO 62a_100011219605_100000746330 [0,2,0,0,0,0|2,0,0]=4 15655 B11R0.159 CC(C)(C)NCCCCCCF 2230a_100000715429_100015922095 [0,2,0,0,0,0|2,0,0]=4 15656 B11R0.159 CC(C)(C)NCCCCCCO 2230a_100000715429_100000766143 [0,2,0,0,0,0|2,0,0]=4 15657 B11R0.159 CC(C)(C)NCCCCCCO 34a_100000686447_100000210625 [0,2,0,0,0,0|2,0,0]=4 15658 B11R0.159 CC(C)(C)OCCCCCCBr 34a_100011215345_100000210625 [0,2,0,0,0,0|2,0,0]=4 15659 B11R0.159 CC(C)(C)OCCCCCCCl 34a_100000766143_100000210625 [0,2,0,0,0,0|2,0,0]=4 15660 B11R0.159 CC(C)(C)OCCCCCCF 34a_100000732779_100000210625 [0,2,0,0,0,0|2,0,0]=4 15661 B11R0.159 CC(C)(C)OCCCCCCF 34a_100015890283_100015922095 [0,2,0,0,0,0|2,0,0]=4 15662 B11R0.159 CC(C)(C)OCCCCCCF 7a_100015890283_100015922095 [0,2,0,0,0,0|2,0,0]=4 15663 B11R0.159 CC(C)(C)OCCCCCCN 34a_100000686447_100000210625 [0,2,0,0,0,0|2,0,0]=4 15664 B11R0.159 CC(C)(C)OCCCCCCO 34a_100015890283_100000766143 [0,2,0,0,0,0|2,0,0]=4 15665 B11R0.159 CC(C)(C)OCCCCCCO 7a_100015890283_100000766143 [0,2,0,0,0,0|2,0,0]=4 15666 B11R0.159 CC(C)(C)SCCCCCCF 62a_100000211941_100015922095 [0,2,0,0,0,0|2,0,0]=4 15667 B11R0.159 CC(C)(C)SCCCCCCF 62a_100015922095_100000211941 [0,2,0,0,0,0|2,0,0]=4 15668 B11R0.159 CC(C)(C)SCCCCCCO 62a_100000211941_100000766143 [0,2,0,0,0,0|2,0,0]=4 15669 B11R0.159 CC(C)(C)SCCCCCCO 62a_100000766143_100000211941 [0,2,0,0,0,0|2,0,0]=4 15670 B11R0.159 CC(C)(F)CCNCCCCF 2230a_100016253952_100000729493 [0,2,0,0,0,0|2,0,0]=4 15671 B11R0.159 CC(C)(F)CCNCCCCO 2230a_100016253952_100000210776 [0,2,0,0,0,0|2,0,0]=4 15672 B11R0.159 CC(C)(F)CNCCCCCF 2230a_100020643315_100000729378 [0,2,0,0,0,0|2,0,0]=4 15673 B11R0.159 CC(C)(F)CNCCCCCO 2230a_100020643315_100000746330 [0,2,0,0,0,0|2,0,0]=4 15674 B11R0.159 CC(C)(F)CNCCCCCO 34a_100000762737_100011997219 [0,2,0,0,0,0|2,0,0]=4 15675 B11R0.159 CC(C)(F)COCCCCCBr 34a_100000746331_100011997219 [0,2,0,0,0,0|2,0,0]=4 15676 B11R0.159 CC(C)(F)COCCCCCCl 34a_100000746330_100011997219 [0,2,0,0,0,0|2,0,0]=4 15677 B11R0.159 CC(C)(F)COCCCCCF 34a_100000716592_100000729378 [0,2,0,0,0,0|2,0,0]=4 15678 B11R0.159 CC(C)(F)COCCCCCI 34a_200012148887_100011997219 [0,2,0,0,0,0|2,0,0]=4 15679 B11R0.159 CC(C)(F)COCCCCCN 34a_100000762737_100011997219 [0,2,0,0,0,0|2,0,0]=4 15680 B11R0.159 CC(C)(F)COCCCCCO 34a_100000716592_100000746330 [0,2,0,0,0,0|2,0,0]=4 15681 B11R0.159 CC(C)(F)CSCCCCCF 62a_100000729378_100011997219 [0,2,0,0,0,0|2,0,0]=4 15682 B11R0.159 CC(C)(F)CSCCCCCF 62a_100011997219_100000729378 [0,2,0,0,0,0|2,0,0]=4 15683 B11R0.159 CC(C)(F)CSCCCCCO 62a_100000746330_100011997219 [0,2,0,0,0,0|2,0,0]=4 15684 B11R0.159 CC(C)(F)CSCCCCCO 62a_100011997219_100000746330 [0,2,0,0,0,0|2,0,0]=4 15685 B11R0.159 CC(C)(O)CCCCCSCF 62a_100010402123_100015361967 [0,2,0,0,0,0|1,0,0]=3 15686 B11R0.159 CC(C)(O)CCCCCSCF 62a_100015361967_100010402123 [0,2,0,0,0,0|1,0,0]=3 15687 B11R0.159 CC(C)(O)CCCNCCCF 2230a_100015189416_100009888830 [0,2,0,0,0,0|1,0,0]=3 15688 B11R0.159 CC(C)(O)CCCNCCCF 34a_100015189416_100009888830 [0,2,0,0,0,0|1,0,0]=3 15689 B11R0.159 CC(C)(O)CCCOCCCBr 34a_100011217188_100009888830 [0,2,0,0,0,0|1,0,0]=3 15690 B11R0.159 CC(C)(O)CCCOCCCCl 34a_100000230001_100009888830 [0,2,0,0,0,0|1,0,0]=3 15691 B11R0.159 CC(C)(O)CCCOCCCF 34a_100000759539_100009888830 [0,2,0,0,0,0|1,0,0]=3 15692 B11R0.159 CC(C)(O)CCCOCCCN 34a_100000182051_100009888830 [0,2,0,0,0,0|1,0,0]=3 15693 B11R0.159 CC(C)(O)CCCOCCON 34a_100000700252_100009888830 [0,2,0,0,0,0|2,0,0]=4 15694 B11R0.159 CC(C)(O)CCCSCCC#N 62a_100009888830_100011215226 [0,2,0,0,0,0|1,0,1]=4 15695 B11R0.159 CC(C)(O)CCCSCCC#N 62a_100011215226_100009888830 [0,2,0,0,0,0|1,0,1]=4 15696 B11R0.159 CC(C)(O)CCCSCCCF 62a_100009888830_100011934791 [0,2,0,0,0,0|1,0,0]=3 15697 B11R0.159 CC(C)(O)CCCSCCCF 62a_100011934791_100009888830 [0,2,0,0,0,0|1,0,0]=3 15698 B11R0.159 CC(C)(O)CCCSCCCO 62a_100009888830_100011215043 [0,2,0,0,0,0|1,0,0]=3 15699 B11R0.159 CC(C)(O)CCCSCCCO 62a_100011215043_100009888830 [0,2,0,0,0,0|1,0,0]=3 15700 B11R0.159 CC(C)(O)CCNCCCCO 2230a_100000750430_100000702414 [0,2,0,0,0,0|1,0,0]=3 15701 B11R0.159 CC(C)(O)CCNCCCCO 34a_100000750430_100000702414 [0,2,0,0,0,0|1,0,0]=3 15702 B11R0.159 CC(C)(O)CCOCCCCBr 34a_100011216708_100000702414 [0,2,0,0,0,0|1,0,0]=3 15703 B11R0.159 CC(C)(O)CCOCCCCCl 34a_100000210776_100000702414 [0,2,0,0,0,0|1,0,0]=3 15704 B11R0.159 CC(C)(O)CCOCCCCCl 7a_100000210776_100000702414 [0,2,0,0,0,0|1,0,0]=3 15705 B11R0.159 CC(C)(O)CCOCCCCF 34a_100011995726_100000702414 [0,2,0,0,0,0|1,0,0]=3 15706 B11R0.159 CC(C)(O)CCOCCCCF 7a_100011995726_100000702414 [0,2,0,0,0,0|1,0,0]=3 15707 B11R0.159 CC(C)(O)CCOCCCCI 34a_200012148704_100000702414 [0,2,0,0,0,0|1,0,0]=3 15708 B11R0.159 CC(C)(O)CCOCCCCN 34a_100000750430_100000702414 [0,2,0,0,0,0|1,0,0]=3 15709 B11R0.159 CC(C)(O)CCSCCCC#N 62a_100000687738_100000702414 [0,2,0,0,0,0|1,0,1]=4 15710 B11R0.159 CC(C)(O)CCSCCCC#N 62a_100000702414_100000687738 [0,2,0,0,0,0|1,0,1]=4 15711 B11R0.159 CC(C)(O)CCSCCCC=O 62a_100000702414_200011292268 [0,2,0,0,0,0|1,0,1]=4 15712 B11R0.159 CC(C)(O)CCSCCCC=O 62a_200011292268_100000702414 [0,2,0,0,0,0|1,0,1]=4 15713 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000702414_100000729493 [0,2,0,0,0,0|1,0,0]=3 15714 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000729493_100000702414 [0,2,0,0,0,0|1,0,0]=3 15715 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000210776_100000702414 [0,2,0,0,0,0|1,0,0]=3 15716 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000702414_100000210776 [0,2,0,0,0,0|1,0,0]=3 15717 B11R0.159 CC(C)(O)CNCCCCC#N 2230a_100000751335_100000211819 [0,2,0,0,0,0|1,0,1]=4 15718 B11R0.159 CC(C)(O)CNCCCCC=O 2230a_100000751335_100000139335 [0,2,0,0,0,0|1,0,1]=4 15719 B11R0.159 CC(C)(O)CNCCCCCF 2230a_100000751335_100000729378 [0,2,0,0,0,0|1,0,0]=3 15720 B11R0.159 CC(C)(O)CNCCCCCO 2230a_100000751335_100000746330 [0,2,0,0,0,0|1,0,0]=3 15721 B11R0.159 CC(C)(O)CNCCCCCO 34a_100000762737_100000764493 [0,2,0,0,0,0|1,0,0]=3 15722 B11R0.159 CC(C)(O)CNCCOCCO 2230a_100000751335_100011215305 [0,2,0,0,0,0|2,0,0]=4 15723 B11R0.159 CC(C)(O)CNCCOCCO 34a_100000211614_100000764493 [0,2,0,0,0,0|2,0,0]=4 15724 B11R0.159 CC(C)(O)COCCCCCBr 34a_100000746331_100000764493 [0,2,0,0,0,0|1,0,0]=3 15725 B11R0.159 CC(C)(O)COCCCCCBr 7a_100000746331_100000764493 [0,2,0,0,0,0|1,0,0]=3 15726 B11R0.159 CC(C)(O)COCCCCCCl 34a_100000746330_100000764493 [0,2,0,0,0,0|1,0,0]=3 15727 B11R0.159 CC(C)(O)COCCCCCCl 7a_100000746330_100000764493 [0,2,0,0,0,0|1,0,0]=3 15728 B11R0.159 CC(C)(O)COCCCCCI 34a_200012148887_100000764493 [0,2,0,0,0,0|1,0,0]=3 15729 B11R0.159 CC(C)(O)COCCCCCI 7a_200012148887_100000764493 [0,2,0,0,0,0|1,0,0]=3 15730 B11R0.159 CC(C)(O)COCCCCCN 34a_100000762737_100000764493 [0,2,0,0,0,0|1,0,0]=3 15731 B11R0.159 CC(C)(O)COCCOCCBr 34a_100000692535_100000764493 [0,2,0,0,0,0|2,0,0]=4 15732 B11R0.159 CC(C)(O)COCCOCCBr 7a_100000692535_100000764493 [0,2,0,0,0,0|2,0,0]=4 15733 B11R0.159 CC(C)(O)COCCOCCCl 34a_100011215305_100000764493 [0,2,0,0,0,0|2,0,0]=4 15734 B11R0.159 CC(C)(O)COCCOCCCl 7a_100011215305_100000764493 [0,2,0,0,0,0|2,0,0]=4 15735 B11R0.159 CC(C)(O)COCCOCCF 34a_200015357709_100000764493 [0,2,0,0,0,0|2,0,0]=4 15736 B11R0.159 CC(C)(O)COCCOCCF 7a_200015357709_100000764493 [0,2,0,0,0,0|2,0,0]=4 15737 B11R0.159 CC(C)(O)COCCOCCI 34a_100012149058_100000764493 [0,2,0,0,0,0|2,0,0]=4 15738 B11R0.159 CC(C)(O)COCCOCCI 7a_100012149058_100000764493 [0,2,0,0,0,0|2,0,0]=4 15739 B11R0.159 CC(C)(O)COCCOCCN 34a_100000211614_100000764493 [0,2,0,0,0,0|2,0,0]=4 15740 B11R0.159 CC(C)(O)CSCCCCC#N 62a_100000764493_100000211819 [0,2,0,0,0,0|1,0,1]=4 15741 B11R0.159 CC(C)(O)CSCCCCC#N 62a_100011219923_100000764493 [0,2,0,0,0,0|1,0,1]=4 15742 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000139335_100000764493 [0,2,0,0,0,0|1,0,1]=4 15743 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000764493_100000139335 [0,2,0,0,0,0|1,0,1]=4 15744 B11R0.159 CC(C)(O)CSCCCCCF 62a_100000729378_100000764493 [0,2,0,0,0,0|1,0,0]=3 15745 B11R0.159 CC(C)(O)CSCCCCCF 62a_100000764493_100000729378 [0,2,0,0,0,0|1,0,0]=3 15746 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000746330_100000764493 [0,2,0,0,0,0|1,0,0]=3 15747 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000764493_100000746330 [0,2,0,0,0,0|1,0,0]=3 15748 B11R0.159 CC(C)(O)CSCCOCCO 62a_100000764493_100011215305 [0,2,0,0,0,0|2,0,0]=4 15749 B11R0.159 CC(C)(O)CSCCOCCO 62a_100011215305_100000764493 [0,2,0,0,0,0|2,0,0]=4 15750 B11R0.159 CC(F)(F)COCCCCCF 34a_100000068830_100000729378 [0,2,0,0,0,0|2,0,0]=4 15751 B11R0.159 CC(F)(F)COCCCCCO 34a_100000068830_100000746330 [0,2,0,0,0,0|2,0,0]=4 15752 B11R0.159 CC/C=C\CCNCC(C)(C)O 2230a_100000751335_100015370543 [0,2,0,0,0,0|0,0,2]=4 15753 B11R0.159 CC/C=C\CCOCC(C)(C)O 34a_100016288707_100000764493 [0,2,0,0,0,0|0,0,2]=4 15754 B11R0.159 CC/C=C\CCOCC(C)(C)O 7a_100016288707_100000764493 [0,2,0,0,0,0|0,0,2]=4 15755 B11R0.159 CC/C=C\CCSCC(C)(C)O 62a_100000764493_100015370543 [0,2,0,0,0,0|0,0,2]=4 15756 B11R0.159 CC/C=C\CCSCC(C)(C)O 62a_100015370543_100000764493 [0,2,0,0,0,0|0,0,2]=4 15757 B11R0.159 CC/C=C\COCCC(C)(C)O 34a_100016268518_100000702414 [0,2,0,0,0,0|0,0,2]=4 15758 B11R0.159 CC/C=C\CSCCC(C)(C)O 62a_100000702414_100103147603 [0,2,0,0,0,0|0,0,2]=4 15759 B11R0.159 CC/C=C\CSCCC(C)(C)O 62a_100103147603_100000702414 [0,2,0,0,0,0|0,0,2]=4 15760 B11R0.159 CC=CCCCOCC(C)(C)O 34a_100020645299_100000764493 [0,2,0,0,0,0|0,0,2]=4 15761 B11R0.159 CC=CCSCCCC(C)(C)O 62a_100000070051_100009888830 [0,2,0,0,0,0|0,0,2]=4 15762 B11R0.159 CC=CCSCCCC(C)(C)O 62a_100009888830_100000070051 [0,2,0,0,0,0|0,0,2]=4 15763 B11R0.159 CCC#CCCOCC(C)(C)O 34a_100000036655_100000764493 [0,2,0,0,0,0|0,0,2]=4 15764 B11R0.159 CCC#CCCOCC(C)(C)O 7a_100000036655_100000764493 [0,2,0,0,0,0|0,0,2]=4 15765 B11R0.159 CCC#CCOCCC(C)(C)O 34a_100000032950_100000702414 [0,2,0,0,0,0|0,0,2]=4 15766 B11R0.159 CCC#CCSCCC(C)(C)O 62a_100000702414_100009813939 [0,2,0,0,0,0|0,0,2]=4 15767 B11R0.159 CCC#CCSCCC(C)(C)O 62a_100009813939_100000702414 [0,2,0,0,0,0|0,0,2]=4 15768 B11R0.159 CCC/C=C/COCC(C)(C)O 34a_100016278788_100000764493 [0,2,0,0,0,0|0,0,2]=4 15769 B11R0.159 CCC/C=C/COCC(C)(C)O 7a_100016278788_100000764493 [0,2,0,0,0,0|0,0,2]=4 15770 B11R0.159 CCCC#CCOCC(C)(C)O 34a_100000034806_100000764493 [0,2,0,0,0,0|0,0,2]=4 15771 B11R0.159 CCCC#CCOCC(C)(C)O 7a_100000034806_100000764493 [0,2,0,0,0,0|0,0,2]=4 15772 B11R0.159 CCCCCCCNC(C)(C)C 2230a_100000715429_100000210681 [0,2,0,0,0,0|1,0,0]=3 15773 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,2,0,0,0,0|1,0,1]=4 15774 B11R0.159 CCCCCCCOC(C)(C)C 34a_100000210272_100000210625 [0,2,0,0,0,0|1,0,0]=3 15775 B11R0.159 CCCCCCCOC(C)(C)C 34a_100015890283_100000210614 [0,2,0,0,0,0|1,0,0]=3 15776 B11R0.159 CCCCCCCOC(C)(C)C 7a_100015890283_100000210614 [0,2,0,0,0,0|1,0,0]=3 15777 B11R0.159 CCCCCCCOC(F)(F)F 34a_100000210272_200103152311 [0,2,0,0,0,0|2,0,0]=4 15778 B11R0.159 CCCCCCCOC(F)(F)F 7a_100000210272_200000243211 [0,2,0,0,0,0|2,0,0]=4 15779 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000210614_100000211941 [0,2,0,0,0,0|1,0,0]=3 15780 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000211941_100000210316 [0,2,0,0,0,0|1,0,0]=3 15781 B11R0.159 CCCCCCCSC(F)(F)F 62a_100000210614_200103152311 [0,2,0,0,0,0|2,0,0]=4 15782 B11R0.159 CCCCCCCSC(F)(F)F 62a_200000243211_100000210316 [0,2,0,0,0,0|2,0,0]=4 15783 B11R0.159 CCCCCCNCC(C)(C)C 2230a_100000743828_100000210314 [0,2,0,0,0,0|1,0,0]=3 15784 B11R0.159 CCCCCCNCC(C)(C)C 270004a_100000210581_100011204126 [0,2,0,0,0,0|1,0,0]=3 15785 B11R0.159 CCCCCCNCC(C)(C)F 2230a_100020643315_100000210314 [0,2,0,0,0,0|1,0,0]=3 15786 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [0,2,0,0,0,0|0,0,0]=2 15787 B11R0.159 CCCCCCNCC(F)(F)F 2230a_100000210581_100000763148 [0,2,0,0,0,0|2,0,0]=4 15788 B11R0.159 CCCCCCNCC(F)(F)F 34a_100000717047_100000210314 [0,2,0,0,0,0|2,0,0]=4 15789 B11R0.159 CCCCCCNC[Si](C)(C)C 2230a_100000210581_100000037933 [0,2,0,0,0,0|1,1,0]=4 15790 B11R0.159 CCCCCCOCC(C)(C)C 34a_100000210259_100011219605 [0,2,0,0,0,0|1,0,0]=3 15791 B11R0.159 CCCCCCOCC(C)(C)F 34a_100000210259_100011997219 [0,2,0,0,0,0|1,0,0]=3 15792 B11R0.159 CCCCCCOCC(C)(C)F 34a_100000716592_100000210314 [0,2,0,0,0,0|1,0,0]=3 15793 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,2,0,0,0,0|0,0,0]=2 15794 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,2,0,0,0,0|0,0,0]=2 15795 B11R0.159 CCCCCCOCC(C)(F)F 34a_100000068830_100000210314 [0,2,0,0,0,0|1,0,0]=3 15796 B11R0.159 CCCCCCOCC(F)(F)Br 34a_100011217949_100000210314 [0,2,0,0,0,0|2,0,0]=4 15797 B11R0.159 CCCCCCOCC(F)(F)Cl 34a_100000734434_100000210314 [0,2,0,0,0,0|2,0,0]=4 15798 B11R0.159 CCCCCCOCC(F)(F)F 34a_100000210435_100000210314 [0,2,0,0,0,0|2,0,0]=4 15799 B11R0.159 CCCCCCOC[Si](C)(C)C 7a_100000210259_100000233785 [0,2,0,0,0,0|1,1,0]=4 15800 B11R0.159 CCCCCCSCC(C)(C)C 62a_100000210314_100011219605 [0,2,0,0,0,0|1,0,0]=3 15801 B11R0.159 CCCCCCSCC(C)(C)C 62a_100011219605_100000210757 [0,2,0,0,0,0|1,0,0]=3 15802 B11R0.159 CCCCCCSCC(C)(C)F 62a_100000210314_100011997219 [0,2,0,0,0,0|1,0,0]=3 15803 B11R0.159 CCCCCCSCC(C)(C)F 62a_100011997219_100000210757 [0,2,0,0,0,0|1,0,0]=3 15804 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [0,2,0,0,0,0|0,0,0]=2 15805 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [0,2,0,0,0,0|0,0,0]=2 15806 B11R0.159 CCCCCCSCC(F)(F)F 62a_100000210314_100000763148 [0,2,0,0,0,0|2,0,0]=4 15807 B11R0.159 CCCCCCSCC(F)(F)F 62a_100000763148_100000210757 [0,2,0,0,0,0|2,0,0]=4 15808 B11R0.159 CCCCCCSC[N+](C)(C)C 62a_100000210314_200000036245 [0,2,0,0,0,0|2,0,0]=4 15809 B11R0.159 CCCCCCSC[N+](C)(C)C 62a_200000036245_100000210757 [0,2,0,0,0,0|2,0,0]=4 15810 B11R0.159 CCCCCCSC[Si](C)(C)C 62a_100000037933_100000210757 [0,2,0,0,0,0|1,1,0]=4 15811 B11R0.159 CCCCCCSC[Si](C)(C)C 62a_100000210314_100000037933 [0,2,0,0,0,0|1,1,0]=4 15812 B11R0.159 CCCCCNCCC(C)(C)C 2230a_100000209983_100000755188 [0,2,0,0,0,0|1,0,0]=3 15813 B11R0.159 CCCCCNCCC(C)(C)C 2230a_100000738805_100000210326 [0,2,0,0,0,0|1,0,0]=3 15814 B11R0.159 CCCCCNCCC(C)(C)F 2230a_100016253952_100000210326 [0,2,0,0,0,0|1,0,0]=3 15815 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [0,2,0,0,0,0|0,0,0]=2 15816 B11R0.159 CCCCCNCCC(F)(F)F 2230a_100000740434_100000210326 [0,2,0,0,0,0|2,0,0]=4 15817 B11R0.159 CCCCCNCCC(F)(F)F 34a_100000740434_100000718602 [0,2,0,0,0,0|2,0,0]=4 15818 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [0,2,0,0,0,0|1,0,1]=4 15819 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [0,2,0,0,0,0|1,0,1]=4 15820 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [0,2,0,0,0,0|1,0,1]=4 15821 B11R0.159 CCCCCNCC[Si](C)(C)C 2230a_100000209983_200000733723 [0,2,0,0,0,0|1,1,0]=4 15822 B11R0.159 CCCCCOCCC(C)(C)C 34a_100000210253_100000755188 [0,2,0,0,0,0|1,0,0]=3 15823 B11R0.159 CCCCCOCCC(C)(C)C 7a_100000210253_100000755188 [0,2,0,0,0,0|1,0,0]=3 15824 B11R0.159 CCCCCOCCC(C)(C)C 7a_100000765024_100000210326 [0,2,0,0,0,0|1,0,0]=3 15825 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [0,2,0,0,0,0|0,0,0]=2 15826 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [0,2,0,0,0,0|0,0,0]=2 15827 B11R0.159 CCCCCOCCC(F)(F)F 34a_100000210253_100011219754 [0,2,0,0,0,0|2,0,0]=4 15828 B11R0.159 CCCCCOCCC(F)(F)F 34a_100000752437_100000718602 [0,2,0,0,0,0|2,0,0]=4 15829 B11R0.159 CCCCCOCCC(F)(F)F 7a_100000210253_100011219754 [0,2,0,0,0,0|2,0,0]=4 15830 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [0,2,0,0,0,0|1,0,1]=4 15831 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [0,2,0,0,0,0|1,0,1]=4 15832 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [0,2,0,0,0,0|1,0,1]=4 15833 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [0,2,0,0,0,0|1,0,1]=4 15834 B11R0.159 CCCCCOCC[N+](C)(C)C 34a_100000210253_100000085578 [0,2,0,0,0,0|2,0,0]=4 15835 B11R0.159 CCCCCOCC[N+](C)(C)C 7a_100000210253_100000085578 [0,2,0,0,0,0|2,0,0]=4 15836 B11R0.159 CCCCCOCC[N+](C)(C)C 7a_200020618287_100000210326 [0,2,0,0,0,0|2,0,0]=4 15837 B11R0.159 CCCCCOCC[Si](C)(C)C 34a_100000210253_200000733723 [0,2,0,0,0,0|1,1,0]=4 15838 B11R0.159 CCCCCOCC[Si](C)(C)C 7a_100000039746_100000210326 [0,2,0,0,0,0|1,1,0]=4 15839 B11R0.159 CCCCCOCC[Si](C)(C)C 7a_100000210253_200000733723 [0,2,0,0,0,0|1,1,0]=4 15840 B11R0.159 CCCCCSCCC(C)(C)C 62a_100000210326_100000755188 [0,2,0,0,0,0|1,0,0]=3 15841 B11R0.159 CCCCCSCCC(C)(C)C 62a_100000755188_100000210326 [0,2,0,0,0,0|1,0,0]=3 15842 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [0,2,0,0,0,0|0,0,0]=2 15843 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [0,2,0,0,0,0|0,0,0]=2 15844 B11R0.159 CCCCCSCCC(F)(F)F 62a_100000210326_100011219754 [0,2,0,0,0,0|2,0,0]=4 15845 B11R0.159 CCCCCSCCC(F)(F)F 62a_100011219754_100000210326 [0,2,0,0,0,0|2,0,0]=4 15846 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [0,2,0,0,0,0|1,0,1]=4 15847 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [0,2,0,0,0,0|1,0,1]=4 15848 B11R0.159 CCCCCSCC[N+](C)(C)C 62a_100000085578_100000210326 [0,2,0,0,0,0|2,0,0]=4 15849 B11R0.159 CCCCCSCC[N+](C)(C)C 62a_100000210326_100000085578 [0,2,0,0,0,0|2,0,0]=4 15850 B11R0.159 CCCCCSCC[Si](C)(C)C 62a_100000210326_200000733723 [0,2,0,0,0,0|1,1,0]=4 15851 B11R0.159 CCCCCSCC[Si](C)(C)C 62a_200000733723_100000210326 [0,2,0,0,0,0|1,1,0]=4 15852 B11R0.159 CCCCNCCCC(C)(C)O 2230a_100000102301_100009888830 [0,2,0,0,0,0|0,0,0]=2 15853 B11R0.159 CCCCNCCCC(C)(C)O 7a_106832991798_100009888830 [0,2,0,0,0,0|0,0,0]=2 15854 B11R0.159 CCCCNCCCC(F)(F)F 2230a_100000102301_100011215983 [0,2,0,0,0,0|2,0,0]=4 15855 B11R0.159 CCCCNCCCC(F)(F)F 2230a_100000727188_100000210211 [0,2,0,0,0,0|2,0,0]=4 15856 B11R0.159 CCCCNCCCC(F)(F)F 34a_100000727188_100000210210 [0,2,0,0,0,0|2,0,0]=4 15857 B11R0.159 CCCCNCCCC(F)(F)F 7a_106832991798_100011216173 [0,2,0,0,0,0|2,0,0]=4 15858 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [0,2,0,0,0,0|1,0,1]=4 15859 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [0,2,0,0,0,0|1,0,1]=4 15860 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [0,2,0,0,0,0|1,0,1]=4 15861 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [0,2,0,0,0,0|1,0,1]=4 15862 B11R0.159 CCCCNCCC[N+](C)(C)C 2230a_100000102301_100016990835 [0,2,0,0,0,0|2,0,0]=4 15863 B11R0.159 CCCCNCCC[N+](C)(C)C 7a_106832991798_100016990835 [0,2,0,0,0,0|2,0,0]=4 15864 B11R0.159 CCCCNCCC[Si](C)(C)C 2230a_100000102301_100011219597 [0,2,0,0,0,0|1,1,0]=4 15865 B11R0.159 CCCCNCCC[Si](C)(C)C 7a_106832991798_100011219597 [0,2,0,0,0,0|1,1,0]=4 15866 B11R0.159 CCCCNCCOC(C)(C)C 2230a_100000747557_100000210211 [0,2,0,0,0,0|2,0,0]=4 15867 B11R0.159 CCCCNCCSC(C)(C)C 2230a_100000689375_100000210211 [0,2,0,0,0,0|2,0,0]=4 15868 B11R0.159 CCCCOCCCC(C)(C)O 34a_100000210227_100009888830 [0,2,0,0,0,0|0,0,0]=2 15869 B11R0.159 CCCCOCCCC(C)(C)O 7a_100000210227_100009888830 [0,2,0,0,0,0|0,0,0]=2 15870 B11R0.159 CCCCOCCCC(F)(F)F 34a_100000210227_100011215983 [0,2,0,0,0,0|2,0,0]=4 15871 B11R0.159 CCCCOCCCC(F)(F)F 34a_100000749235_100000210210 [0,2,0,0,0,0|2,0,0]=4 15872 B11R0.159 CCCCOCCCC(F)(F)F 7a_100000210227_100011216173 [0,2,0,0,0,0|2,0,0]=4 15873 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [0,2,0,0,0,0|1,0,1]=4 15874 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [0,2,0,0,0,0|1,0,1]=4 15875 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [0,2,0,0,0,0|1,0,1]=4 15876 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [0,2,0,0,0,0|1,0,1]=4 15877 B11R0.159 CCCCOCCC[N+](C)(C)C 34a_100000210227_100016990835 [0,2,0,0,0,0|2,0,0]=4 15878 B11R0.159 CCCCOCCC[N+](C)(C)C 7a_100000210227_100016990835 [0,2,0,0,0,0|2,0,0]=4 15879 B11R0.159 CCCCOCCC[Si](C)(C)C 34a_100000210227_100011219597 [0,2,0,0,0,0|1,1,0]=4 15880 B11R0.159 CCCCOCCC[Si](C)(C)C 7a_100000210227_100011219597 [0,2,0,0,0,0|1,1,0]=4 15881 B11R0.159 CCCCOCCC[Si](C)(C)C 7a_200011215415_100000210211 [0,2,0,0,0,0|1,1,0]=4 15882 B11R0.159 CCCCOCCNC(C)(C)C 2230a_100000715429_100000743108 [0,2,0,0,0,0|2,0,0]=4 15883 B11R0.159 CCCCOCCOC(C)(C)C 34a_100000210238_100000210625 [0,2,0,0,0,0|2,0,0]=4 15884 B11R0.159 CCCCOCCOC(C)(C)C 34a_100000693234_100000210210 [0,2,0,0,0,0|2,0,0]=4 15885 B11R0.159 CCCCOCCOC(C)(C)C 34a_100015890283_100000743108 [0,2,0,0,0,0|2,0,0]=4 15886 B11R0.159 CCCCOCCOC(C)(C)C 7a_100000693234_100000210211 [0,2,0,0,0,0|2,0,0]=4 15887 B11R0.159 CCCCOCCOC(C)(C)C 7a_100015890283_100000743108 [0,2,0,0,0,0|2,0,0]=4 15888 B11R0.159 CCCCOCCSC(C)(C)C 62a_100000211941_100000743108 [0,2,0,0,0,0|2,0,0]=4 15889 B11R0.159 CCCCOCCSC(C)(C)C 62a_100000743108_100000211941 [0,2,0,0,0,0|2,0,0]=4 15890 B11R0.159 CCCCOCNCC(C)(C)C 2230a_100000743828_100011995733 [0,2,0,0,0,0|2,0,0]=4 15891 B11R0.159 CCCCOCNCC(C)(C)F 2230a_100020643315_100011995733 [0,2,0,0,0,0|2,0,0]=4 15892 B11R0.159 CCCCOCNCC(C)(C)O 2230a_100000751335_100011995733 [0,2,0,0,0,0|1,0,0]=3 15893 B11R0.159 CCCCOCOCC(C)(C)F 34a_100000716592_100011995733 [0,2,0,0,0,0|2,0,0]=4 15894 B11R0.159 CCCCOCOCC(C)(F)F 34a_100000068830_100011995733 [0,2,0,0,0,0|2,0,0]=4 15895 B11R0.159 CCCCOCSCC(C)(C)C 62a_100011219605_100011995733 [0,2,0,0,0,0|2,0,0]=4 15896 B11R0.159 CCCCOCSCC(C)(C)C 62a_100011995733_100011219605 [0,2,0,0,0,0|2,0,0]=4 15897 B11R0.159 CCCCOCSCC(C)(C)F 62a_100011995733_100011997219 [0,2,0,0,0,0|2,0,0]=4 15898 B11R0.159 CCCCOCSCC(C)(C)F 62a_100011997219_100011995733 [0,2,0,0,0,0|2,0,0]=4 15899 B11R0.159 CCCCOCSCC(C)(C)O 62a_100000764493_100011995733 [0,2,0,0,0,0|1,0,0]=3 15900 B11R0.159 CCCCOCSCC(C)(C)O 62a_100011995733_100000764493 [0,2,0,0,0,0|1,0,0]=3 15901 B11R0.159 CCCCSCCCC(C)(C)O 62a_100000210211_100009888830 [0,2,0,0,0,0|0,0,0]=2 15902 B11R0.159 CCCCSCCCC(C)(C)O 62a_100009888830_100000210210 [0,2,0,0,0,0|0,0,0]=2 15903 B11R0.159 CCCCSCCCC(F)(F)F 62a_100000210211_100011216173 [0,2,0,0,0,0|2,0,0]=4 15904 B11R0.159 CCCCSCCCC(F)(F)F 62a_100011216173_100000210210 [0,2,0,0,0,0|2,0,0]=4 15905 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [0,2,0,0,0,0|1,0,1]=4 15906 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [0,2,0,0,0,0|1,0,1]=4 15907 B11R0.159 CCCCSCCC[N+](C)(C)C 62a_100000210211_100016990835 [0,2,0,0,0,0|2,0,0]=4 15908 B11R0.159 CCCCSCCC[N+](C)(C)C 62a_100016990835_100000210210 [0,2,0,0,0,0|2,0,0]=4 15909 B11R0.159 CCCCSCCC[Si](C)(C)C 62a_100000210211_100011219597 [0,2,0,0,0,0|1,1,0]=4 15910 B11R0.159 CCCCSCCC[Si](C)(C)C 62a_100011219597_100000210210 [0,2,0,0,0,0|1,1,0]=4 15911 B11R0.159 CCCCSCCOC(C)(C)C 34a_200000230436_100000210625 [0,2,0,0,0,0|2,0,0]=4 15912 B11R0.159 CCCNCCCOC(C)(C)C 2230a_100011250582_100000210303 [0,2,0,0,0,0|2,0,0]=4 15913 B11R0.159 CCCOCCCCC(F)(F)F 34a_100000210258_100000692467 [0,2,0,0,0,0|2,0,0]=4 15914 B11R0.159 CCCOCCCCC(F)(F)F 34a_100000749236_100000210303 [0,2,0,0,0,0|2,0,0]=4 15915 B11R0.159 CCCOCCCCC(F)(F)F 7a_100000749236_100000210303 [0,2,0,0,0,0|2,0,0]=4 15916 B11R0.159 CCCOCCCC[Si](C)(C)C 7a_200009881916_100000210303 [0,2,0,0,0,0|1,1,0]=4 15917 B11R0.159 CCCOCCCNC(C)(C)C 34a_100011217757_100000210625 [0,2,0,0,0,0|2,0,0]=4 15918 B11R0.159 CCCOCCNCC(C)(C)C 2230a_100000743828_100011215938 [0,2,0,0,0,0|2,0,0]=4 15919 B11R0.159 CCCOCCNCC(C)(C)C 270004a_100161115042_100011204126 [0,2,0,0,0,0|2,0,0]=4 15920 B11R0.159 CCCOCCNCC(C)(C)C 34a_100161115042_100011219605 [0,2,0,0,0,0|2,0,0]=4 15921 B11R0.159 CCCOCCNCC(C)(C)F 2230a_100020643315_100011215938 [0,2,0,0,0,0|2,0,0]=4 15922 B11R0.159 CCCOCCNCC(C)(C)F 34a_100161115042_100011997219 [0,2,0,0,0,0|2,0,0]=4 15923 B11R0.159 CCCOCCNCC(C)(C)O 2230a_100000751335_100011215938 [0,2,0,0,0,0|1,0,0]=3 15924 B11R0.159 CCCOCCNCC(C)(C)O 34a_100161115042_100000764493 [0,2,0,0,0,0|1,0,0]=3 15925 B11R0.159 CCCOCCOCC(C)(C)C 34a_100000752267_100011219605 [0,2,0,0,0,0|2,0,0]=4 15926 B11R0.159 CCCOCCOCC(C)(C)F 34a_100000716592_100011215938 [0,2,0,0,0,0|2,0,0]=4 15927 B11R0.159 CCCOCCOCC(C)(C)F 34a_100000752267_100011997219 [0,2,0,0,0,0|2,0,0]=4 15928 B11R0.159 CCCOCCOCC(C)(C)O 34a_100000752267_100000764493 [0,2,0,0,0,0|1,0,0]=3 15929 B11R0.159 CCCOCCOCC(C)(C)O 7a_100000752267_100000764493 [0,2,0,0,0,0|1,0,0]=3 15930 B11R0.159 CCCOCCOCC(C)(F)F 34a_100000068830_100011215938 [0,2,0,0,0,0|2,0,0]=4 15931 B11R0.159 CCCOCCSCC(C)(C)C 62a_100011215938_100011219605 [0,2,0,0,0,0|2,0,0]=4 15932 B11R0.159 CCCOCCSCC(C)(C)C 62a_100011219605_100011215938 [0,2,0,0,0,0|2,0,0]=4 15933 B11R0.159 CCCOCCSCC(C)(C)F 62a_100011215938_100011997219 [0,2,0,0,0,0|2,0,0]=4 15934 B11R0.159 CCCOCCSCC(C)(C)F 62a_100011997219_100011215938 [0,2,0,0,0,0|2,0,0]=4 15935 B11R0.159 CCCOCCSCC(C)(C)O 62a_100000764493_100011215938 [0,2,0,0,0,0|1,0,0]=3 15936 B11R0.159 CCCOCCSCC(C)(C)O 62a_100011215938_100000764493 [0,2,0,0,0,0|1,0,0]=3 15937 B11R0.159 CCCSCCCCC(F)(F)F 62a_100000210303_100000692467 [0,2,0,0,0,0|2,0,0]=4 15938 B11R0.159 CCCSCCCCC(F)(F)F 62a_100000692467_100000210303 [0,2,0,0,0,0|2,0,0]=4 15939 B11R0.159 CCCSCCNCC(C)(C)C 270004a_100020603323_100011204126 [0,2,0,0,0,0|2,0,0]=4 15940 B11R0.159 CCCSCCOCC(C)(C)C 34a_200000230433_100011219605 [0,2,0,0,0,0|2,0,0]=4 15941 B11R0.159 CCCSCCOCC(C)(C)F 34a_200000230433_100011997219 [0,2,0,0,0,0|2,0,0]=4 15942 B11R0.159 CCCSCCOCC(C)(C)O 34a_200000230433_100000764493 [0,2,0,0,0,0|1,0,0]=3 15943 B11R0.159 CCCSCCOCC(C)(C)O 7a_200000230433_100000764493 [0,2,0,0,0,0|1,0,0]=3 15944 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,2,0,0,0,0|0,0,0]=2 15945 B11R0.159 CCNCCCCCC(F)(F)F 2230a_100015525214_100010187589 [0,2,0,0,0,0|2,0,0]=4 15946 B11R0.159 CCNCCCCC[N+](C)(C)C 2230a_100015525214_100009813293 [0,2,0,0,0,0|2,0,0]=4 15947 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [0,2,0,0,0,0|0,0,0]=2 15948 B11R0.159 CCOCCCCCC(F)(F)F 34a_100121572206_100010187589 [0,2,0,0,0,0|2,0,0]=4 15949 B11R0.159 CCOCCCCC[N+](C)(C)C 34a_100121572206_100009813293 [0,2,0,0,0,0|2,0,0]=4 15950 B11R0.159 CCOCCCNCC(C)(C)C 2230a_100000743828_100012232248 [0,2,0,0,0,0|2,0,0]=4 15951 B11R0.159 CCOCCCNCC(C)(C)C 270004a_100000210961_100011204126 [0,2,0,0,0,0|2,0,0]=4 15952 B11R0.159 CCOCCCNCC(C)(C)C 34a_100000210961_100011219605 [0,2,0,0,0,0|2,0,0]=4 15953 B11R0.159 CCOCCCNCC(C)(C)F 2230a_100020643315_100012232248 [0,2,0,0,0,0|2,0,0]=4 15954 B11R0.159 CCOCCCNCC(C)(C)F 34a_100000210961_100011997219 [0,2,0,0,0,0|2,0,0]=4 15955 B11R0.159 CCOCCCNCC(C)(C)O 2230a_100000751335_100012232248 [0,2,0,0,0,0|1,0,0]=3 15956 B11R0.159 CCOCCCNCC(C)(C)O 34a_100000210961_100000764493 [0,2,0,0,0,0|1,0,0]=3 15957 B11R0.159 CCOCCCOCC(C)(C)C 34a_100000757476_100011219605 [0,2,0,0,0,0|2,0,0]=4 15958 B11R0.159 CCOCCCOCC(C)(C)F 34a_100000716592_100012232248 [0,2,0,0,0,0|2,0,0]=4 15959 B11R0.159 CCOCCCOCC(C)(C)F 34a_100000757476_100011997219 [0,2,0,0,0,0|2,0,0]=4 15960 B11R0.159 CCOCCCOCC(C)(C)O 34a_100000757476_100000764493 [0,2,0,0,0,0|1,0,0]=3 15961 B11R0.159 CCOCCCOCC(C)(C)O 7a_100000757476_100000764493 [0,2,0,0,0,0|1,0,0]=3 15962 B11R0.159 CCOCCCOCC(C)(F)F 34a_100000068830_100012232248 [0,2,0,0,0,0|2,0,0]=4 15963 B11R0.159 CCOCCCSCC(C)(C)C 62a_100011219605_100012232248 [0,2,0,0,0,0|2,0,0]=4 15964 B11R0.159 CCOCCCSCC(C)(C)C 62a_100012232248_100011219605 [0,2,0,0,0,0|2,0,0]=4 15965 B11R0.159 CCOCCCSCC(C)(C)F 62a_100011997219_100012232248 [0,2,0,0,0,0|2,0,0]=4 15966 B11R0.159 CCOCCCSCC(C)(C)F 62a_100012232248_100011997219 [0,2,0,0,0,0|2,0,0]=4 15967 B11R0.159 CCOCCCSCC(C)(C)O 62a_100000764493_100012232248 [0,2,0,0,0,0|1,0,0]=3 15968 B11R0.159 CCOCCCSCC(C)(C)O 62a_100012232248_100000764493 [0,2,0,0,0,0|1,0,0]=3 15969 B11R0.159 CCOCCNCCC(C)(C)C 2230a_100000738805_100011215890 [0,2,0,0,0,0|2,0,0]=4 15970 B11R0.159 CCOCCNCCC(C)(C)C 2230a_102516460346_100000755188 [0,2,0,0,0,0|2,0,0]=4 15971 B11R0.159 CCOCCNCCC(C)(C)C 34a_102516460346_100000755188 [0,2,0,0,0,0|2,0,0]=4 15972 B11R0.159 CCOCCNCCC(C)(C)F 2230a_100016253952_100011215890 [0,2,0,0,0,0|2,0,0]=4 15973 B11R0.159 CCOCCNCCC(C)(C)O 2230a_102516460346_100000702414 [0,2,0,0,0,0|1,0,0]=3 15974 B11R0.159 CCOCCNCCC(C)(C)O 34a_102516460346_100000702414 [0,2,0,0,0,0|1,0,0]=3 15975 B11R0.159 CCOCCOCCC(C)(C)C 34a_100000210136_100000755188 [0,2,0,0,0,0|2,0,0]=4 15976 B11R0.159 CCOCCOCCC(C)(C)C 7a_100000210136_100000755188 [0,2,0,0,0,0|2,0,0]=4 15977 B11R0.159 CCOCCOCCC(C)(C)C 7a_100000765024_100011215890 [0,2,0,0,0,0|2,0,0]=4 15978 B11R0.159 CCOCCOCCC(C)(C)O 34a_100000210136_100000702414 [0,2,0,0,0,0|1,0,0]=3 15979 B11R0.159 CCOCCOCCC(C)(C)O 7a_100000210136_100000702414 [0,2,0,0,0,0|1,0,0]=3 15980 B11R0.159 CCOCCSCCC(C)(C)C 62a_100000210147_100000755188 [0,2,0,0,0,0|2,0,0]=4 15981 B11R0.159 CCOCCSCCC(C)(C)C 62a_100000755188_100011215890 [0,2,0,0,0,0|2,0,0]=4 15982 B11R0.159 CCOCCSCCC(C)(C)O 62a_100000210147_100000702414 [0,2,0,0,0,0|1,0,0]=3 15983 B11R0.159 CCOCCSCCC(C)(C)O 62a_100000702414_100011215890 [0,2,0,0,0,0|1,0,0]=3 15984 B11R0.159 CCOCSCCCC(C)(C)O 62a_100000739092_100009888830 [0,2,0,0,0,0|1,0,0]=3 15985 B11R0.159 CCOCSCCCC(C)(C)O 62a_100009888830_100000739092 [0,2,0,0,0,0|1,0,0]=3 15986 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [0,2,0,0,0,0|0,0,0]=2 15987 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [0,2,0,0,0,0|0,0,0]=2 15988 B11R0.159 CCSCCCCCC(F)(F)F 62a_100000210202_100010187589 [0,2,0,0,0,0|2,0,0]=4 15989 B11R0.159 CCSCCCCCC(F)(F)F 62a_100010187589_100000210202 [0,2,0,0,0,0|2,0,0]=4 15990 B11R0.159 CCSCCCCC[N+](C)(C)C 62a_100000210202_100009813293 [0,2,0,0,0,0|2,0,0]=4 15991 B11R0.159 CCSCCCCC[N+](C)(C)C 62a_100009813293_100000210202 [0,2,0,0,0,0|2,0,0]=4 15992 B11R0.159 CCSCCCOCC(C)(C)C 34a_100011216438_100011219605 [0,2,0,0,0,0|2,0,0]=4 15993 B11R0.159 CCSCCCOCC(C)(C)F 34a_100011216438_100011997219 [0,2,0,0,0,0|2,0,0]=4 15994 B11R0.159 CCSCCCOCC(C)(C)O 34a_100011216438_100000764493 [0,2,0,0,0,0|1,0,0]=3 15995 B11R0.159 CCSCCCOCC(C)(C)O 7a_100011216438_100000764493 [0,2,0,0,0,0|1,0,0]=3 15996 B11R0.159 CCSCCNCCC(C)(C)C 2230a_100000106463_100000755188 [0,2,0,0,0,0|2,0,0]=4 15997 B11R0.159 CCSCCNCCC(C)(C)C 2230a_100000738805_100000757381 [0,2,0,0,0,0|2,0,0]=4 15998 B11R0.159 CCSCCNCCC(C)(C)F 2230a_100016253952_100000757381 [0,2,0,0,0,0|2,0,0]=4 15999 B11R0.159 CCSCCNCCC(C)(C)O 2230a_100000106463_100000702414 [0,2,0,0,0,0|1,0,0]=3 16000 B11R0.159 CCSCCOCCC(C)(C)C 34a_100000212035_100000755188 [0,2,0,0,0,0|2,0,0]=4 16001 B11R0.159 CCSCCOCCC(C)(C)C 7a_100000212035_100000755188 [0,2,0,0,0,0|2,0,0]=4 16002 B11R0.159 CCSCCOCCC(C)(C)C 7a_100000765024_100000757381 [0,2,0,0,0,0|2,0,0]=4 16003 B11R0.159 CCSCCOCCC(C)(C)O 34a_100000212035_100000702414 [0,2,0,0,0,0|1,0,0]=3 16004 B11R0.159 CCSCCOCCC(C)(C)O 7a_100000212035_100000702414 [0,2,0,0,0,0|1,0,0]=3 16005 B11R0.159 CCSCCSCCC(C)(C)C 62a_100000755188_100000757381 [0,2,0,0,0,0|2,0,0]=4 16006 B11R0.159 CCSCCSCCC(C)(C)C 62a_100000757381_100000755188 [0,2,0,0,0,0|2,0,0]=4 16007 B11R0.159 CCSCCSCCC(C)(C)O 62a_100000702414_100000757381 [0,2,0,0,0,0|1,0,0]=3 16008 B11R0.159 CCSCCSCCC(C)(C)O 62a_100000757381_100000702414 [0,2,0,0,0,0|1,0,0]=3 16009 B11R0.159 CNCCCCCC[N+](C)(C)C 2230a_106832991635_100009996864 [0,2,0,0,0,0|2,0,0]=4 16010 B11R0.159 CNCCCCCC[N+](C)(C)C 34a_100102657272_100009996864 [0,2,0,0,0,0|2,0,0]=4 16011 B11R0.159 CNCCCCCC[N+](C)(C)C 7a_106832991635_100009996864 [0,2,0,0,0,0|2,0,0]=4 16012 B11R0.159 CNCCCCCOC(C)(C)C 34a_100000722520_100000210625 [0,2,0,0,0,0|2,0,0]=4 16013 B11R0.159 CNCCCOCCC(C)(C)C 34a_100000213112_100000755188 [0,2,0,0,0,0|2,0,0]=4 16014 B11R0.159 CNCCCOCCC(C)(C)O 34a_100000213112_100000702414 [0,2,0,0,0,0|1,0,0]=3 16015 B11R0.159 COCCCCCC[N+](C)(C)C 34a_100138415774_100009996864 [0,2,0,0,0,0|2,0,0]=4 16016 B11R0.159 COCCCCCNC(C)(C)C 34a_100000747528_100000210625 [0,2,0,0,0,0|2,0,0]=4 16017 B11R0.159 COCCCCNCC(C)(C)C 2230a_100000743828_100000730899 [0,2,0,0,0,0|2,0,0]=4 16018 B11R0.159 COCCCCNCC(C)(C)F 2230a_100020643315_100000730899 [0,2,0,0,0,0|2,0,0]=4 16019 B11R0.159 COCCCCNCC(C)(C)O 2230a_100000751335_100000730899 [0,2,0,0,0,0|1,0,0]=3 16020 B11R0.159 COCCCCOCC(C)(C)C 34a_100000740925_100011219605 [0,2,0,0,0,0|2,0,0]=4 16021 B11R0.159 COCCCCOCC(C)(C)F 34a_100000716592_100000755781 [0,2,0,0,0,0|2,0,0]=4 16022 B11R0.159 COCCCCOCC(C)(C)F 34a_100000740925_100011997219 [0,2,0,0,0,0|2,0,0]=4 16023 B11R0.159 COCCCCOCC(C)(C)O 34a_100000740925_100000764493 [0,2,0,0,0,0|1,0,0]=3 16024 B11R0.159 COCCCCOCC(C)(F)F 34a_100000068830_100000755781 [0,2,0,0,0,0|2,0,0]=4 16025 B11R0.159 COCCCCSCC(C)(C)C 62a_100000730899_100011219605 [0,2,0,0,0,0|2,0,0]=4 16026 B11R0.159 COCCCCSCC(C)(C)C 62a_100011219605_100000730899 [0,2,0,0,0,0|2,0,0]=4 16027 B11R0.159 COCCCCSCC(C)(C)F 62a_100000730899_100011997219 [0,2,0,0,0,0|2,0,0]=4 16028 B11R0.159 COCCCCSCC(C)(C)F 62a_100011997219_100000730899 [0,2,0,0,0,0|2,0,0]=4 16029 B11R0.159 COCCCCSCC(C)(C)O 62a_100000730899_100000764493 [0,2,0,0,0,0|1,0,0]=3 16030 B11R0.159 COCCCCSCC(C)(C)O 62a_100000764493_100000730899 [0,2,0,0,0,0|1,0,0]=3 16031 B11R0.159 COCCCNCCC(C)(C)C 2230a_100000738805_100000740836 [0,2,0,0,0,0|2,0,0]=4 16032 B11R0.159 COCCCNCCC(C)(C)C 34a_100150723488_100000755188 [0,2,0,0,0,0|2,0,0]=4 16033 B11R0.159 COCCCNCCC(C)(C)F 2230a_100016253952_100000740836 [0,2,0,0,0,0|2,0,0]=4 16034 B11R0.159 COCCCNCCC(C)(C)O 34a_100150723488_100000702414 [0,2,0,0,0,0|1,0,0]=3 16035 B11R0.159 COCCCOCCC(C)(C)C 34a_100000740835_100000755188 [0,2,0,0,0,0|2,0,0]=4 16036 B11R0.159 COCCCOCCC(C)(C)C 7a_100000765024_100000740836 [0,2,0,0,0,0|2,0,0]=4 16037 B11R0.159 COCCCOCCC(C)(C)O 34a_100000740835_100000702414 [0,2,0,0,0,0|1,0,0]=3 16038 B11R0.159 COCCCSCCC(C)(C)C 62a_100000709357_100000755188 [0,2,0,0,0,0|2,0,0]=4 16039 B11R0.159 COCCCSCCC(C)(C)C 62a_100000755188_100000709357 [0,2,0,0,0,0|2,0,0]=4 16040 B11R0.159 COCCCSCCC(C)(C)O 62a_100000702414_100000709357 [0,2,0,0,0,0|1,0,0]=3 16041 B11R0.159 COCCCSCCC(C)(C)O 62a_100000709357_100000702414 [0,2,0,0,0,0|1,0,0]=3 16042 B11R0.159 COCCNCCCC(C)(C)O 2230a_100000209980_100009888830 [0,2,0,0,0,0|1,0,0]=3 16043 B11R0.159 COCCOCCCC(C)(C)O 34a_100000210237_100009888830 [0,2,0,0,0,0|1,0,0]=3 16044 B11R0.159 COCCOCNCC(C)(C)O 2230a_100000751335_100000231047 [0,2,0,0,0,0|2,0,0]=4 16045 B11R0.159 COCCOCSCC(C)(C)O 62a_100000231047_100000764493 [0,2,0,0,0,0|2,0,0]=4 16046 B11R0.159 COCCOCSCC(C)(C)O 62a_100000764493_100000231047 [0,2,0,0,0,0|2,0,0]=4 16047 B11R0.159 COCCSCCCC(C)(C)O 62a_100000233755_100009888830 [0,2,0,0,0,0|1,0,0]=3 16048 B11R0.159 COCCSCCCC(C)(C)O 62a_100009888830_100000233755 [0,2,0,0,0,0|1,0,0]=3 16049 B11R0.159 CSCCCCCC[N+](C)(C)C 62a_100009996864_200000210301 [0,2,0,0,0,0|2,0,0]=4 16050 B11R0.159 CSCCCCCC[N+](C)(C)C 62a_200000210301_100009996864 [0,2,0,0,0,0|2,0,0]=4 16051 B11R0.159 CSCCCCOCC(C)(C)C 34a_100011217163_100011219605 [0,2,0,0,0,0|2,0,0]=4 16052 B11R0.159 CSCCCCOCC(C)(C)F 34a_100011217163_100011997219 [0,2,0,0,0,0|2,0,0]=4 16053 B11R0.159 CSCCCCOCC(C)(C)O 34a_100011217163_100000764493 [0,2,0,0,0,0|1,0,0]=3 16054 B11R0.159 CSCCCCOCC(C)(C)O 7a_100011217163_100000764493 [0,2,0,0,0,0|1,0,0]=3 16055 B11R0.159 CSCCCNCCC(C)(C)C 2230a_100000749238_100000755188 [0,2,0,0,0,0|2,0,0]=4 16056 B11R0.159 CSCCCNCCC(C)(C)O 2230a_100000749238_100000702414 [0,2,0,0,0,0|1,0,0]=3 16057 B11R0.159 CSCCCOCCC(C)(C)C 34a_100000690336_100000755188 [0,2,0,0,0,0|2,0,0]=4 16058 B11R0.159 CSCCCOCCC(C)(C)C 7a_100000690336_100000755188 [0,2,0,0,0,0|2,0,0]=4 16059 B11R0.159 CSCCCOCCC(C)(C)O 34a_100000690336_100000702414 [0,2,0,0,0,0|1,0,0]=3 16060 B11R0.159 CSCCCOCCC(C)(C)O 7a_100000690336_100000702414 [0,2,0,0,0,0|1,0,0]=3 16061 B11R0.159 CSCCNCCCC(C)(C)O 2230a_100020590264_100009888830 [0,2,0,0,0,0|1,0,0]=3 16062 B11R0.159 CSCCOCCCC(C)(C)O 34a_100000230434_100009888830 [0,2,0,0,0,0|1,0,0]=3 16063 B11R0.159 CSCCOCCCC(C)(C)O 7a_100000230434_100009888830 [0,2,0,0,0,0|1,0,0]=3 16064 B11R0.159 CSCCSCCCC(C)(C)O 62a_100000212216_100009888830 [0,2,0,0,0,0|1,0,0]=3 16065 B11R0.159 CSCCSCCCC(C)(C)O 62a_100009888830_100000751147 [0,2,0,0,0,0|1,0,0]=3 16066 B11R0.159 C[N+](C)(C)CCCCCCS[13CH3] 62a_100009996864_200025704644 [0,2,0,0,0,0|2,0,0]=4 16067 B11R0.159 C[N+](C)(C)CCCCCCS[13CH3] 62a_200025704644_100009996864 [0,2,0,0,0,0|2,0,0]=4 16068 B11R0.176 C#CCC(C)OCCCC(C)O 34a_100000685586_200000718107 [0,2,0,0,0,0|0,0,2]=4 16069 B11R0.176 C#CCC(C)OCCCC(C)O 7a_100000685586_200000718107 [0,2,0,0,0,0|0,0,2]=4 16070 B11R0.176 C/C=C/C(C)OCCCC(C)O 34a_200102604097_200000718107 [0,2,0,0,0,0|0,0,2]=4 16071 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,2,0,0,0,0|1,0,1]=4 16072 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,2,0,0,0,0|1,0,1]=4 16073 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,2,0,0,0,0|1,0,1]=4 16074 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,2,0,0,0,0|1,0,1]=4 16075 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,2,0,0,0,0|1,0,1]=4 16076 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,2,0,0,0,0|1,0,1]=4 16077 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,2,0,0,0,0|1,0,1]=4 16078 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,2,0,0,0,0|1,0,1]=4 16079 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,2,0,0,0,0|1,0,1]=4 16080 B11R0.176 C=CCC(C)COCCC(C)O 34a_100009832082_100012276601 [0,2,0,0,0,0|0,0,2]=4 16081 B11R0.176 C=CCC(C)COCCC(C)O 7a_100009832082_100012276601 [0,2,0,0,0,0|0,0,2]=4 16082 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 34a_100000731007_200000718107 [0,2,0,0,0,0|0,0,2]=4 16083 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 7a_100000731007_200000718107 [0,2,0,0,0,0|0,0,2]=4 16084 B11R0.176 C=CC[C@@H](N)COCCC(C)O 34a_100020615467_100012276601 [0,2,0,0,0,0|0,0,2]=4 16085 B11R0.176 CC#CC(C)OCCCC(C)O 34a_100011216543_200000718107 [0,2,0,0,0,0|0,0,2]=4 16086 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,2,0,0,0,0|1,0,1]=4 16087 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,2,0,0,0,0|1,0,1]=4 16088 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,2,0,0,0,0|1,0,1]=4 16089 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,2,0,0,0,0|2,0,0]=4 16090 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,2,0,0,0,0|2,0,0]=4 16091 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,2,0,0,0,0|2,0,0]=4 16092 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,2,0,0,0,0|2,0,0]=4 16093 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 16094 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 16095 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,2,0,0,0,0|2,0,0]=4 16096 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,2,0,0,0,0|2,0,0]=4 16097 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,2,0,0,0,0|2,0,0]=4 16098 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,2,0,0,0,0|2,0,0]=4 16099 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,2,0,0,0,0|2,0,0]=4 16100 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,2,0,0,0,0|2,0,0]=4 16101 B11R0.176 CC(O)CCCN[C@@H](C)CC#N 2230a_100016994482_200000718107 [0,2,0,0,0,0|1,0,1]=4 16102 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,2,0,0,0,0|1,0,0]=3 16103 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,2,0,0,0,0|1,0,0]=3 16104 B11R0.176 CC(O)CCCOC(C)CCBr 34a_100012276601_200000718107 [0,2,0,0,0,0|1,0,0]=3 16105 B11R0.176 CC(O)CCCSC(C)CC#N 62a_100009813641_200000718107 [0,2,0,0,0,0|1,0,1]=4 16106 B11R0.176 CC(O)CCCSC(C)CC#N 62a_200000718107_100009813641 [0,2,0,0,0,0|1,0,1]=4 16107 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,2,0,0,0,0|1,0,0]=3 16108 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,2,0,0,0,0|1,0,0]=3 16109 B11R0.176 CC(O)CCNC[C@@H](O)CC#N 2230a_200000755665_100000001066 [0,2,0,0,0,0|1,0,1]=4 16110 B11R0.176 CC(O)CCOCC(C)CCN 34a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 16111 B11R0.176 CC(O)CCSC[C@@H](O)CC#N 62a_100000001066_100012276601 [0,2,0,0,0,0|1,0,1]=4 16112 B11R0.176 CC(O)CCSC[C@@H](O)CC#N 62a_100012276601_100000001066 [0,2,0,0,0,0|1,0,1]=4 16113 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,2,0,0,0,0|2,0,0]=4 16114 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|0,0,2]=4 16115 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|1,0,0]=3 16116 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|1,0,0]=3 16117 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,2,0,0,0,0|0,0,1]=3 16118 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,2,0,0,0,0|1,0,1]=4 16119 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,2,0,0,0,0|1,0,1]=4 16120 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,2,0,0,0,0|1,0,1]=4 16121 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,2,0,0,0,0|0,0,1]=3 16122 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,2,0,0,0,0|0,0,1]=3 16123 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 16124 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 16125 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 16126 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 16127 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,2,0,0,0,0|1,0,1]=4 16128 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,2,0,0,0,0|1,0,1]=4 16129 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,2,0,0,0,0|1,0,1]=4 16130 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,2,0,0,0,0|1,0,1]=4 16131 B11R0.176 CCCC(C)C=NNCC(C)O 4a_200000730056_100000243154 [0,2,0,0,0,0|1,0,1]=4 16132 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,2,0,0,0,0|1,0,0]=3 16133 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,2,0,0,0,0|1,0,0]=3 16134 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,2,0,0,0,0|1,0,0]=3 16135 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,2,0,0,0,0|1,0,0]=3 16136 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,2,0,0,0,0|0,0,0]=2 16137 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,2,0,0,0,0|0,0,0]=2 16138 B11R0.176 CCCC(C)CCOCC(F)F 34a_100011217855_100011934356 [0,2,0,0,0,0|2,0,0]=4 16139 B11R0.176 CCCC(C)CCOCC(F)F 7a_100011217855_100011934356 [0,2,0,0,0,0|2,0,0]=4 16140 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,2,0,0,0,0|0,0,0]=2 16141 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,2,0,0,0,0|0,0,0]=2 16142 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [0,2,0,0,0,0|1,0,0]=3 16143 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,2,0,0,0,0|0,0,0]=2 16144 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,2,0,0,0,0|0,0,0]=2 16145 B11R0.176 CCCC(C)CNCCN(C)C 270004a_100000210585_100000243154 [0,2,0,0,0,0|2,0,0]=4 16146 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,2,0,0,0,0|0,0,2]=4 16147 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,2,0,0,0,0|0,0,2]=4 16148 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,2,0,0,0,0|0,0,2]=4 16149 B11R0.176 CCCC(C)COCCC(C)Br 34a_100009893172_100011216630 [0,2,0,0,0,0|1,0,0]=3 16150 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,2,0,0,0,0|1,0,0]=3 16151 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,2,0,0,0,0|1,0,0]=3 16152 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,2,0,0,0,0|1,0,0]=3 16153 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,2,0,0,0,0|1,0,0]=3 16154 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,2,0,0,0,0|0,0,0]=2 16155 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,2,0,0,0,0|0,0,0]=2 16156 B11R0.176 CCCC(C)COCCC(F)F 34a_100103093639_100011216630 [0,2,0,0,0,0|2,0,0]=4 16157 B11R0.176 CCCC(C)COCCN(C)C 7a_100000688023_100000755713 [0,2,0,0,0,0|2,0,0]=4 16158 B11R0.176 CCCC(C)COCC[C@@H](C)N 34a_100000706166_100011216630 [0,2,0,0,0,0|1,0,0]=3 16159 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,2,0,0,0,0|2,0,0]=4 16160 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,2,0,0,0,0|0,0,2]=4 16161 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,2,0,0,0,0|0,0,2]=4 16162 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [0,2,0,0,0,0|1,0,0]=3 16163 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [0,2,0,0,0,0|1,0,0]=3 16164 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,2,0,0,0,0|0,0,0]=2 16165 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,2,0,0,0,0|0,0,0]=2 16166 B11R0.176 CCCC(C)CSCCN(C)C 62a_100011216630_100000755713 [0,2,0,0,0,0|2,0,0]=4 16167 B11R0.176 CCCC(C)CSCOC(C)C 62a_100000709892_100011216630 [0,2,0,0,0,0|2,0,0]=4 16168 B11R0.176 CCCC(C)CSCOC(C)C 62a_100011216630_100000709892 [0,2,0,0,0,0|2,0,0]=4 16169 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,2,0,0,0,0|1,0,0]=3 16170 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,2,0,0,0,0|1,0,0]=3 16171 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,2,0,0,0,0|1,0,0]=3 16172 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,2,0,0,0,0|1,0,0]=3 16173 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,2,0,0,0,0|0,0,0]=2 16174 B11R0.176 CCCC(C)NCCCN(C)C 270004a_102531767803_100000211909 [0,2,0,0,0,0|2,0,0]=4 16175 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,2,0,0,0,0|1,0,1]=4 16176 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,2,0,0,0,0|1,0,1]=4 16177 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,2,0,0,0,0|2,0,0]=4 16178 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,2,0,0,0,0|2,0,0]=4 16179 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,2,0,0,0,0|2,0,0]=4 16180 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,2,0,0,0,0|2,0,0]=4 16181 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000731138_100000766640 [0,2,0,0,0,0|2,0,0]=4 16182 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000741246_100000730970 [0,2,0,0,0,0|2,0,0]=4 16183 B11R0.176 CCCC(C)NCCSC(C)C 270004a_100000731138_100000211909 [0,2,0,0,0,0|2,0,0]=4 16184 B11R0.176 CCCC(C)NCCSC(C)C 34a_100000731138_100000766640 [0,2,0,0,0,0|2,0,0]=4 16185 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,2,0,0,0,0|0,0,2]=4 16186 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,2,0,0,0,0|0,0,2]=4 16187 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,2,0,0,0,0|0,0,2]=4 16188 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,2,0,0,0,0|0,0,2]=4 16189 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,2,0,0,0,0|1,0,0]=3 16190 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,2,0,0,0,0|1,0,0]=3 16191 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,2,0,0,0,0|1,0,0]=3 16192 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,2,0,0,0,0|1,0,0]=3 16193 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,2,0,0,0,0|0,0,0]=2 16194 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,2,0,0,0,0|0,0,0]=2 16195 B11R0.176 CCCC(C)OCCCN(C)C 7a_100000764384_100000757444 [0,2,0,0,0,0|2,0,0]=4 16196 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,2,0,0,0,0|2,0,0]=4 16197 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,2,0,0,0,0|2,0,0]=4 16198 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,2,0,0,0,0|2,0,0]=4 16199 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,2,0,0,0,0|2,0,0]=4 16200 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,2,0,0,0,0|2,0,0]=4 16201 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,2,0,0,0,0|2,0,0]=4 16202 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,2,0,0,0,0|2,0,0]=4 16203 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,2,0,0,0,0|2,0,0]=4 16204 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,2,0,0,0,0|2,0,0]=4 16205 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,2,0,0,0,0|0,0,2]=4 16206 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,2,0,0,0,0|0,0,2]=4 16207 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,2,0,0,0,0|1,0,0]=3 16208 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,2,0,0,0,0|1,0,0]=3 16209 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,2,0,0,0,0|0,0,0]=2 16210 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,2,0,0,0,0|0,0,0]=2 16211 B11R0.176 CCCC(C)SCCCN(C)C 62a_100000766640_100000757444 [0,2,0,0,0,0|2,0,0]=4 16212 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,2,0,0,0,0|2,0,0]=4 16213 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,2,0,0,0,0|2,0,0]=4 16214 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000730970_100000766640 [0,2,0,0,0,0|2,0,0]=4 16215 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000766640_100000730970 [0,2,0,0,0,0|2,0,0]=4 16216 B11R0.176 CCCN(C)CCCCB(O)O 2230a_100000747261_200009817182 [0,2,0,0,0,0|2,0,0]=4 16217 B11R0.176 CCCN(C)CCCCB(O)O 269982a_100000747261_200009817182 [0,2,0,0,0,0|2,0,0]=4 16218 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,2,0,0,0,0|0,0,2]=4 16219 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,2,0,0,0,0|1,0,0]=3 16220 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,2,0,0,0,0|1,0,0]=3 16221 B11R0.176 CCCN(C)CCCCN(C)C 269982a_100000747261_100000690147 [0,2,0,0,0,0|2,0,0]=4 16222 B11R0.176 CCC[C@H](N)CCOCC(C)C 34a_100015193777_100000210624 [0,2,0,0,0,0|1,0,0]=3 16223 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,2,0,0,0,0|0,0,0]=2 16224 B11R0.176 CCC[C@H](N)CCOCC(F)F 34a_100015193777_100011934356 [0,2,0,0,0,0|2,0,0]=4 16225 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,2,0,0,0,0|0,0,0]=2 16226 B11R0.176 CCC[C@H](N)COCCC(C)C 34a_100000732646_100000210312 [0,2,0,0,0,0|1,0,0]=3 16227 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,2,0,0,0,0|0,0,0]=2 16228 B11R0.176 CCC[C@H](N)COCOC(C)C 34a_100000732646_100000709892 [0,2,0,0,0,0|2,0,0]=4 16229 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,2,0,0,0,0|1,0,1]=4 16230 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,2,0,0,0,0|1,0,1]=4 16231 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,2,0,0,0,0|1,0,1]=4 16232 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,2,0,0,0,0|1,0,1]=4 16233 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,2,0,0,0,0|1,0,1]=4 16234 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,2,0,0,0,0|1,0,1]=4 16235 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,2,0,0,0,0|1,0,1]=4 16236 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,2,0,0,0,0|1,0,1]=4 16237 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,2,0,0,0,0|1,0,1]=4 16238 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,2,0,0,0,0|1,0,1]=4 16239 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,2,0,0,0,0|1,0,1]=4 16240 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,2,0,0,0,0|1,0,1]=4 16241 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,2,0,0,0,0|1,0,1]=4 16242 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,2,0,0,0,0|1,0,1]=4 16243 B11R0.176 CCNC(C)CCOCC(C)C 270004a_100015525214_200011216429 [0,2,0,0,0,0|2,0,0]=4 16244 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,2,0,0,0,0|1,0,1]=4 16245 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,2,0,0,0,0|1,0,1]=4 16246 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,2,0,0,0,0|1,0,1]=4 16247 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,2,0,0,0,0|1,0,1]=4 16248 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,2,0,0,0,0|1,0,1]=4 16249 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,2,0,0,0,0|1,0,1]=4 16250 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,2,0,0,0,0|1,0,1]=4 16251 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,2,0,0,0,0|1,0,1]=4 16252 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,2,0,0,0,0|1,0,1]=4 16253 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,2,0,0,0,0|1,0,1]=4 16254 B11R0.176 COCC(C)NCCCC(C)C 2230a_200000737386_100000765312 [0,2,0,0,0,0|2,0,0]=4 16255 B11R0.176 COCC(C)NCCCC(C)C 270004a_200000737386_100000749346 [0,2,0,0,0,0|2,0,0]=4 16256 B11R0.176 COCC(C)NCCCC(C)C 34a_200000737386_100000765312 [0,2,0,0,0,0|2,0,0]=4 16257 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,2,0,0,0,0|2,0,0]=4 16258 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,2,0,0,0,0|2,0,0]=4 16259 B11R0.176 COCC(C)SCCCC(C)C 62a_100000765312_100011214892 [0,2,0,0,0,0|2,0,0]=4 16260 B11R0.176 COCC(C)SCCCC(C)C 62a_100011214892_100000765312 [0,2,0,0,0,0|2,0,0]=4 16261 B11R0.176 COCC(C)SCCCC(C)O 62a_100000765312_200000718107 [0,2,0,0,0,0|1,0,0]=3 16262 B11R0.176 COCC(C)SCCCC(C)O 62a_200000718107_100000765312 [0,2,0,0,0,0|1,0,0]=3 16263 B11R0.176 COCC(N)COCCC(C)C 34a_100000724102_100000210312 [0,2,0,0,0,0|2,0,0]=4 16264 B11R0.176 COCC(N)COCCC(C)O 34a_100000724102_100012276601 [0,2,0,0,0,0|1,0,0]=3 16265 B11R0.176 COCC(O)CNCCC(C)C 2230a_100000756049_100000210312 [0,2,0,0,0,0|2,0,0]=4 16266 B11R0.176 COCC(O)CNCCC(C)C 269862a_100000756049_100000185833 [0,2,0,0,0,0|2,0,0]=4 16267 B11R0.176 COCC(O)CNCCC(C)C 34a_100000756049_100000210312 [0,2,0,0,0,0|2,0,0]=4 16268 B11R0.176 COCC(O)CNCCC(C)O 2230a_100000756049_100012276601 [0,2,0,0,0,0|1,0,0]=3 16269 B11R0.176 COCC(O)CNCCC(C)O 34a_100000756049_100012276601 [0,2,0,0,0,0|1,0,0]=3 16270 B11R0.176 COCC(O)COCCC(C)Br 34a_100009893172_100011215053 [0,2,0,0,0,0|2,0,0]=4 16271 B11R0.176 COCC(O)COCCC(C)C 34a_100000210254_100011215053 [0,2,0,0,0,0|2,0,0]=4 16272 B11R0.176 COCC(O)COCCC(C)C 7a_100000210254_100011215053 [0,2,0,0,0,0|2,0,0]=4 16273 B11R0.176 COCC(O)COCC[C@@H](C)N 34a_100000706166_100011215053 [0,2,0,0,0,0|2,0,0]=4 16274 B11R0.176 COCC(O)CSCCC(C)C 62a_100000210312_100011215053 [0,2,0,0,0,0|2,0,0]=4 16275 B11R0.176 COCC(O)CSCCC(C)C 62a_100011215053_100000210312 [0,2,0,0,0,0|2,0,0]=4 16276 B11R0.176 COCC(O)CSCCC(C)O 62a_100011215053_100012276601 [0,2,0,0,0,0|1,0,0]=3 16277 B11R0.176 COCC(O)CSCCC(C)O 62a_100012276601_100011215053 [0,2,0,0,0,0|1,0,0]=3 16278 B11R0.176 COC[C@@H](C)NCCCC(C)C 2230a_100000764878_100011214892 [0,2,0,0,0,0|2,0,0]=4 16279 B11R0.176 COC[C@@H](C)NCCCC(C)O 2230a_100000764878_200000718107 [0,2,0,0,0,0|1,0,0]=3 16280 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,2,0,0,0,0|2,0,0]=4 16281 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [0,2,0,0,0,0|1,0,0]=3 16282 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,2,0,0,0,0|1,0,1]=4 16283 B11R0.176 CSCC(C)NCCCC(C)C 270004a_200000737386_100011216314 [0,2,0,0,0,0|2,0,0]=4 16284 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [0,2,0,0,0,0|1,0,1]=4 16285 B11R0.68 CCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000210183 [0,2,0,0,0,0|1,0,1]=4 16286 B11R0.68 CCCCC(=O)N(C)CC(C)O 527a_100000227577_100000210183 [0,2,0,0,0,0|1,0,1]=4 16287 B11R0.68 CCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210211 [0,2,0,0,0,0|1,0,1]=4 16288 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,2,0,0,0,0|1,0,1]=4 16289 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,2,0,0,0,0|1,0,1]=4 16290 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [0,2,0,0,0,0|0,0,1]=3 16291 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [0,2,0,0,0,0|0,0,1]=3 16292 B11R0.68 CCCCC(C)N(C)CC(C)C 2230a_100000747067_200011215066 [0,2,0,0,0,0|2,0,0]=4 16293 B11R0.68 CCCCC(C)N(C)CC(C)C 269982a_100000747067_200011215066 [0,2,0,0,0,0|2,0,0]=4 16294 B11R0.68 CCCCC(C)N(C)CC(C)C 270004a_100000747067_100000210087 [0,2,0,0,0,0|2,0,0]=4 16295 B11R0.68 CCCCC(C)N(C)CC(C)O 2230a_100000227577_200011215066 [0,2,0,0,0,0|1,0,0]=3 16296 B11R0.68 CCCCC(C)N(C)CC(C)O 269982a_100000227577_200011215066 [0,2,0,0,0,0|1,0,0]=3 16297 B11R0.68 CCCCC(C)N(C)CC(C)O 270004a_100000227577_100000210087 [0,2,0,0,0,0|1,0,0]=3 16298 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,2,0,0,0,0|1,0,1]=4 16299 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [0,2,0,0,0,0|0,0,1]=3 16300 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [0,2,0,0,0,0|1,0,1]=4 16301 B11R0.68 CCCCN(C)C(C)CC(C)C 2230a_100000207549_100000731052 [0,2,0,0,0,0|2,0,0]=4 16302 B11R0.68 CCCCN(C)C(C)CC(C)C 2230a_100000745462_100000210211 [0,2,0,0,0,0|2,0,0]=4 16303 B11R0.68 CCCCN(C)C(C)CC(C)C 269982a_100000207549_100000731052 [0,2,0,0,0,0|2,0,0]=4 16304 B11R0.68 CCCCN(C)C(C)CC(C)C 269982a_100000745462_100000210211 [0,2,0,0,0,0|2,0,0]=4 16305 B11R0.68 CCSCC(C)N(C)CC(C)O 270004a_100000227577_200011216171 [0,2,0,0,0,0|2,0,0]=4 16306 B11R0.68 COCCC(C)N(C)CC(C)O 270004a_100000227577_100000742357 [0,2,0,0,0,0|2,0,0]=4 16307 B11R0.68 CSCCC(C)N(C)CC(C)O 270004a_100000227577_100011217047 [0,2,0,0,0,0|2,0,0]=4 16308 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,2,0,0,0,0|1,0,1]=4 16309 B11R0.77 C#CC(CC(C)C)OCCCC 34a_100011215986_100000210210 [0,2,0,0,0,0|2,0,0]=4 16310 B11R0.77 C#CC(CC(C)C)OCCCC 7a_100011215986_100000210211 [0,2,0,0,0,0|2,0,0]=4 16311 B11R0.77 C#CC(CCCCC)OC(C)C 34a_100011216489_100000210206 [0,2,0,0,0,0|2,0,0]=4 16312 B11R0.77 C#CC(CCCCC)OC(C)C 7a_100011216489_100000210206 [0,2,0,0,0,0|2,0,0]=4 16313 B11R0.77 C=CC(CC(C)C)OCCCC 34a_100012186643_100000210210 [0,2,0,0,0,0|2,0,0]=4 16314 B11R0.77 C=CC(CC(C)C)OCCCC 7a_100012186643_100000210211 [0,2,0,0,0,0|2,0,0]=4 16315 B11R0.77 C=CC(CCCCC)OC(C)C 34a_100011216863_100000210206 [0,2,0,0,0,0|2,0,0]=4 16316 B11R0.77 C=CC(CCCCC)OC(C)C 7a_100011216863_100000210206 [0,2,0,0,0,0|2,0,0]=4 16317 B11R0.77 CCCCCC(CC)OC(C)C 34a_100011215405_100000210206 [0,2,0,0,0,0|2,0,0]=4 16318 B11R0.77 CCCCCC(CC)OC(C)C 7a_100011215405_100000210206 [0,2,0,0,0,0|2,0,0]=4 16319 B11R0.77 CCCCCN(CC)CC(C)C 2230a_100000738554_100000210326 [0,2,0,0,0,0|2,0,0]=4 16320 B11R0.77 CCCCCN(CC)CC(C)C 269982a_100000738554_100000210215 [0,2,0,0,0,0|2,0,0]=4 16321 B11R0.77 CCCCCN(CC)C[C@H](C)O 2230a_100000729506_100000210326 [0,2,0,0,0,0|1,0,0]=3 16322 B11R0.77 CCCCCN(CC)C[C@H](C)O 269982a_100000729506_100000210215 [0,2,0,0,0,0|1,0,0]=3 16323 B11R0.77 CCCCNC(C#N)CC(C)C 2230a_100000741378_100000210211 [0,2,0,0,0,0|2,0,0]=4 16324 B11R0.77 CCCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210211 [0,2,0,0,0,0|2,0,0]=4 16325 B11R0.77 CCCCN[C@H](CO)CC(C)C 34a_100011830311_100000210210 [0,2,0,0,0,0|2,0,0]=4 16326 B11R0.77 CCCCOC(C#N)CC(C)C 34a_200011294978_100000210210 [0,2,0,0,0,0|2,0,0]=4 16327 B11R0.77 CCCCOC(C#N)CC(C)C 7a_200011294978_100000210211 [0,2,0,0,0,0|2,0,0]=4 16328 B11R0.77 CCCNCC(CO)CC(C)C 34a_200000723437_100000210303 [0,2,0,0,0,0|2,0,0]=4 16329 B11R0.77 CCCOCC(CC)CC(C)C 34a_100012186708_100000210303 [0,2,0,0,0,0|2,0,0]=4 16330 B11R0.77 CCCOCC(CC)CC(C)C 7a_100012186708_100000210303 [0,2,0,0,0,0|2,0,0]=4 16331 B11R0.77 CCCOCC(CN)CC(C)C 34a_200000723437_100000210303 [0,2,0,0,0,0|2,0,0]=4 16332 B11R0.77 CCN(CCCCF)C[C@H](C)O 2230a_100000729506_100000729493 [0,2,0,0,0,0|2,0,0]=4 16333 B11R0.77 CCN(CCCCF)C[C@H](C)O 269982a_100000729506_100000729493 [0,2,0,0,0,0|2,0,0]=4 16334 B11R0.77 CCN(CCCCO)CC(C)O 2230a_100011217355_100011218427 [0,2,0,0,0,0|2,0,0]=4 16335 B11R0.77 CCN(CCCCO)CC(C)O 269982a_100011217355_100011218427 [0,2,0,0,0,0|2,0,0]=4 16336 B11R0.77 CCN(CCCCO)C[C@@H](C)O 2230a_100011217355_100009817552 [0,2,0,0,0,0|2,0,0]=4 16337 B11R0.77 CCN(CCCCO)C[C@@H](C)O 269982a_100011217355_100009817552 [0,2,0,0,0,0|2,0,0]=4 16338 B11R0.77 CCN(CCCCO)C[C@H](C)O 2230a_100000729506_100000210776 [0,2,0,0,0,0|2,0,0]=4 16339 B11R0.77 CCN(CCCCO)C[C@H](C)O 269982a_100000729506_100000210776 [0,2,0,0,0,0|2,0,0]=4 16340 B11R0.77 CCN(CCCOC)C[C@H](C)O 2230a_100000729506_100000740836 [0,2,0,0,0,0|2,0,0]=4 16341 B11R0.77 CCN(CCCOC)C[C@H](C)O 269982a_100000729506_100000740836 [0,2,0,0,0,0|2,0,0]=4 16342 B11R0.77 CCOCCN(CC)C[C@H](C)O 2230a_100000729506_100011215890 [0,2,0,0,0,0|2,0,0]=4 16343 B11R0.77 CCOCCN(CC)C[C@H](C)O 269982a_100000729506_100011215890 [0,2,0,0,0,0|2,0,0]=4 16344 B11R0.77 CCSCCN(CC)C[C@H](C)O 2230a_100000729506_100000757381 [0,2,0,0,0,0|2,0,0]=4 16345 B11R0.77 CCSCCN(CC)C[C@H](C)O 269982a_100000729506_100000757381 [0,2,0,0,0,0|2,0,0]=4 16346 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,2,0,0,0,0|1,0,1]=4 16347 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,2,0,0,0,0|0,0,1]=3 16348 B11R0.107 CCC(C)CCC(C)OC(C)C 7a_200011216552_100000210206 [0,2,0,0,0,0|2,0,0]=4 16349 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,2,0,0,0,0|1,0,1]=4 16350 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100000692259_100000748023 [0,2,0,0,0,0|2,0,0]=4 16351 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100020588543_100000731052 [0,2,0,0,0,0|2,0,0]=4 16352 B11R0.107 CCC(C)CNC(C)CC(C)C 270004a_100000692259_100000243153 [0,2,0,0,0,0|2,0,0]=4 16353 B11R0.107 CCC(C)COC(C)CC(C)C 34a_100000211805_100000748023 [0,2,0,0,0,0|2,0,0]=4 16354 B11R0.107 CCC(C)COC(C)CC(C)C 7a_100000211805_100000748023 [0,2,0,0,0,0|2,0,0]=4 16355 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000731052_100000748023 [0,2,0,0,0,0|2,0,0]=4 16356 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000748023_100000731052 [0,2,0,0,0,0|2,0,0]=4 16357 B11R0.107 CCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100011215416 [0,2,0,0,0,0|2,0,0]=4 16358 B11R0.107 CCC(O)CNC(=O)C[C@@H](C)O 240690a_100011218483_100011933948 [0,2,0,0,0,0|1,0,1]=4 16359 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100000692259_100011218378 [0,2,0,0,0,0|2,0,0]=4 16360 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100011218483_100000731052 [0,2,0,0,0,0|2,0,0]=4 16361 B11R0.107 CCC(O)COC(C)CC(C)C 34a_100000211805_100011218378 [0,2,0,0,0,0|2,0,0]=4 16362 B11R0.107 CCC(O)COC(C)CC(C)C 7a_100000211805_100011218378 [0,2,0,0,0,0|2,0,0]=4 16363 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100000731052_100011218378 [0,2,0,0,0,0|2,0,0]=4 16364 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100011218378_100000731052 [0,2,0,0,0,0|2,0,0]=4 16365 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,2,0,0,0,0|1,0,1]=4 16366 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [0,2,0,0,0,0|1,0,1]=4 16367 B11R0.107 CC[C@H](C)CNC(C)CC(C)C 2230a_100000692259_100009816398 [0,2,0,0,0,0|2,0,0]=4 16368 B11R0.107 CC[C@H](C)COC(C)CC(C)C 34a_100000211805_100009816398 [0,2,0,0,0,0|2,0,0]=4 16369 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100000211805_100009816398 [0,2,0,0,0,0|2,0,0]=4 16370 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100009816381_100000731052 [0,2,0,0,0,0|2,0,0]=4 16371 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100000731052_100009816398 [0,2,0,0,0,0|2,0,0]=4 16372 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100009816398_100000731052 [0,2,0,0,0,0|2,0,0]=4 16373 B11R0.139 CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210326 [0,2,0,0,0,0|1,0,1]=4 16374 B11R0.139 CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210326 [0,2,0,0,0,0|1,0,1]=4 16375 B11R0.139 CCCCCC(C)C(=O)C(C)C 1458a_100000210198_200011218191 [0,2,0,0,0,0|1,0,1]=4 16376 B11R0.139 CCCCCC(C)C(=O)C(C)C 1458a_100011215998_100000210206 [0,2,0,0,0,0|1,0,1]=4 16377 B11R0.139 CCCCCC(C)C(=O)C(C)F 1458a_100000062450_200011218191 [0,2,0,0,0,0|1,0,1]=4 16378 B11R0.139 CCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011218191 [0,2,0,0,0,0|1,0,1]=4 16379 B11R0.139 CCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011218191 [0,2,0,0,0,0|0,0,1]=3 16380 B11R0.139 CCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011218191 [0,2,0,0,0,0|0,0,1]=3 16381 B11R0.139 CCCCCC(C)N(C)C(C)C 269982a_200000211004_200011218191 [0,2,0,0,0,0|2,0,0]=4 16382 B11R0.139 CCCCCC(C)N(C)C(C)C 270004a_200000211004_100000211708 [0,2,0,0,0,0|2,0,0]=4 16383 B11R0.139 CCCCCN(C)C(=O)[C@@H](C)O 240690a_100000223495_100000717761 [0,2,0,0,0,0|1,0,1]=4 16384 B11R0.139 CCCCCN(C)C(=O)[C@H](C)O 1626a_100000223495_217856618621 [0,2,0,0,0,0|1,0,1]=4 16385 B11R0.139 CCCCCN(C)C(=O)[C@H](C)O 240690a_100000223495_217856618621 [0,2,0,0,0,0|1,0,1]=4 16386 B11R0.139 CCCCCN(C)C(C)C(C)C 2230a_100000228512_100000210326 [0,2,0,0,0,0|2,0,0]=4 16387 B11R0.139 CCCCCN(C)C(C)C(C)C 269982a_100000228512_100000210215 [0,2,0,0,0,0|2,0,0]=4 16388 B11R0.154 C#CC(C)NC(C)CCCCC 2230a_100000707721_200011218191 [0,2,0,0,0,0|2,0,0]=4 16389 B11R0.154 C#CC(C)NC(C)CCCCC 270004a_100000707721_100000211708 [0,2,0,0,0,0|2,0,0]=4 16390 B11R0.154 C#CC(C)NC(C)CCCCC 34a_100000707721_200011218191 [0,2,0,0,0,0|2,0,0]=4 16391 B11R0.154 C#CC(C)OC(C)CCCCC 34a_100011215632_200000035995 [0,2,0,0,0,0|2,0,0]=4 16392 B11R0.154 C#CC(C)SC(C)CCCCC 62a_200000035995_200011218191 [0,2,0,0,0,0|2,0,0]=4 16393 B11R0.154 C#C[C@@H](C)OC(C)CCCCC 34a_100009815206_200011218191 [0,2,0,0,0,0|2,0,0]=4 16394 B11R0.154 C#C[C@@H](C)OC(C)CCCCC 7a_100009815206_200011218191 [0,2,0,0,0,0|2,0,0]=4 16395 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,2,0,0,0,0|1,0,1]=4 16396 B11R0.154 C=CC(C)OC(C)CCCCC 34a_100000695699_200011218191 [0,2,0,0,0,0|2,0,0]=4 16397 B11R0.154 C=CC(C)SC(C)CCCCC 62a_100011215867_200011218191 [0,2,0,0,0,0|2,0,0]=4 16398 B11R0.154 C=CC(O)CN(C)CCCCC 2230a_100000223495_100000730141 [0,2,0,0,0,0|1,0,1]=4 16399 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,2,0,0,0,0|1,0,1]=4 16400 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,2,0,0,0,0|1,0,1]=4 16401 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,2,0,0,0,0|1,0,1]=4 16402 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,2,0,0,0,0|1,0,1]=4 16403 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,2,0,0,0,0|1,0,1]=4 16404 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,2,0,0,0,0|1,0,1]=4 16405 B11R0.154 CCC(O)CN(C)CCCCO 2230a_100000717598_100011218378 [0,2,0,0,0,0|2,0,0]=4 16406 B11R0.154 CCC(O)CN(C)CCCCO 269982a_100000717598_100011218378 [0,2,0,0,0,0|2,0,0]=4 16407 B11R0.154 CCC(O)CN(C)CCCOC 2230a_100000224831_100011218378 [0,2,0,0,0,0|2,0,0]=4 16408 B11R0.154 CCC(O)CN(C)CCCOC 269982a_100000224831_100011218378 [0,2,0,0,0,0|2,0,0]=4 16409 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,1]=4 16410 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,1]=4 16411 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|0,0,1]=3 16412 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|0,0,1]=3 16413 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,1]=4 16414 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|0,0,1]=3 16415 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,2,0,0,0,0|1,0,1]=4 16416 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,2,0,0,0,0|1,0,1]=4 16417 B11R0.154 CCCCCC(C)NC(C)C#N 2230a_100000211957_100000184139 [0,2,0,0,0,0|2,0,0]=4 16418 B11R0.154 CCCCCC(C)NC(C)C#N 2230a_100000737613_200011218191 [0,2,0,0,0,0|2,0,0]=4 16419 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,2,0,0,0,0|2,0,0]=4 16420 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,2,0,0,0,0|2,0,0]=4 16421 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,2,0,0,0,0|2,0,0]=4 16422 B11R0.154 CCCCCC(C)NC(C)CO 2230a_100000211957_100012180447 [0,2,0,0,0,0|1,0,0]=3 16423 B11R0.154 CCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000211708 [0,2,0,0,0,0|2,0,0]=4 16424 B11R0.154 CCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218191 [0,2,0,0,0,0|1,0,0]=3 16425 B11R0.154 CCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000211708 [0,2,0,0,0,0|1,0,0]=3 16426 B11R0.154 CCCCCC(C)OC(C)C#N 34a_100011218135_200011218191 [0,2,0,0,0,0|2,0,0]=4 16427 B11R0.154 CCCCCC(C)OC(C)C#N 7a_100011215632_100000703298 [0,2,0,0,0,0|2,0,0]=4 16428 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,2,0,0,0,0|2,0,0]=4 16429 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,2,0,0,0,0|2,0,0]=4 16430 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,2,0,0,0,0|2,0,0]=4 16431 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,2,0,0,0,0|2,0,0]=4 16432 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,2,0,0,0,0|2,0,0]=4 16433 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,2,0,0,0,0|2,0,0]=4 16434 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,2,0,0,0,0|1,0,0]=3 16435 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,2,0,0,0,0|1,0,0]=3 16436 B11R0.154 CCCCCC(C)SC(C)C#N 62a_100000703298_200011218191 [0,2,0,0,0,0|2,0,0]=4 16437 B11R0.154 CCCCCC(C)SC(C)C#N 62a_200011218191_100000703298 [0,2,0,0,0,0|2,0,0]=4 16438 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,2,0,0,0,0|2,0,0]=4 16439 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,2,0,0,0,0|2,0,0]=4 16440 B11R0.154 CCCCCC(C)SC(C)CO 62a_100012180447_200011218191 [0,2,0,0,0,0|1,0,0]=3 16441 B11R0.154 CCCCCC(C)SC(C)OC 62a_100009879195_200011218191 [0,2,0,0,0,0|1,0,0]=3 16442 B11R0.154 CCCCCC(C)SC(C)OC 62a_200011218191_100009879195 [0,2,0,0,0,0|1,0,0]=3 16443 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218191 [0,2,0,0,0,0|1,0,0]=3 16444 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_200011218191_100016084084 [0,2,0,0,0,0|1,0,0]=3 16445 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,2,0,0,0,0|2,0,0]=4 16446 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,2,0,0,0,0|2,0,0]=4 16447 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,2,0,0,0,0|2,0,0]=4 16448 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,2,0,0,0,0|2,0,0]=4 16449 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,2,0,0,0,0|2,0,0]=4 16450 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,2,0,0,0,0|1,0,0]=3 16451 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,2,0,0,0,0|1,0,0]=3 16452 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,2,0,0,0,0|1,0,0]=3 16453 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,2,0,0,0,0|1,0,0]=3 16454 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,2,0,0,0,0|1,0,0]=3 16455 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,2,0,0,0,0|2,0,0]=4 16456 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,2,0,0,0,0|2,0,0]=4 16457 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,2,0,0,0,0|1,0,0]=3 16458 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,2,0,0,0,0|1,0,0]=3 16459 B11R0.154 CCCCCN(C)C[C@@H](O)CF 2230a_100000223495_100015614560 [0,2,0,0,0,0|1,0,0]=3 16460 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,2,0,0,0,0|1,0,0]=3 16461 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,2,0,0,0,0|1,0,1]=4 16462 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,2,0,0,0,0|1,0,1]=4 16463 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,2,0,0,0,0|2,0,0]=4 16464 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,2,0,0,0,0|2,0,0]=4 16465 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,2,0,0,0,0|1,0,1]=4 16466 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,2,0,0,0,0|1,0,1]=4 16467 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,2,0,0,0,0|1,0,1]=4 16468 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,2,0,0,0,0|1,0,1]=4 16469 B11R0.154 CCCSCC(C)N[C@H](C)CO 270004a_100000737577_100011343953 [0,2,0,0,0,0|2,0,0]=4 16470 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,2,0,0,0,0|1,0,1]=4 16471 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,2,0,0,0,0|1,0,1]=4 16472 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,2,0,0,0,0|1,0,1]=4 16473 B11R0.154 CCOCCC(C)N[C@H](C)CO 270004a_100000737577_200011216536 [0,2,0,0,0,0|2,0,0]=4 16474 B11R0.154 CCOCCN(C)CC(O)CO 2230a_100011216503_100011215890 [0,2,0,0,0,0|2,0,0]=4 16475 B11R0.154 CCOCCN(C)CC(O)CO 269982a_100011216503_100011215890 [0,2,0,0,0,0|2,0,0]=4 16476 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,2,0,0,0,0|1,0,1]=4 16477 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,2,0,0,0,0|1,0,1]=4 16478 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,2,0,0,0,0|1,0,1]=4 16479 B11R0.154 CCSCCN(C)CC(O)CO 2230a_100011216503_100000757381 [0,2,0,0,0,0|2,0,0]=4 16480 B11R0.154 CCSCCN(C)CC(O)CO 269982a_100011216503_100000757381 [0,2,0,0,0,0|2,0,0]=4 16481 B11R0.154 CN(CCCCF)CC(O)CO 2230a_100011216503_100000729493 [0,2,0,0,0,0|2,0,0]=4 16482 B11R0.154 CN(CCCCF)CC(O)CO 269982a_100011216503_100000729493 [0,2,0,0,0,0|2,0,0]=4 16483 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100000717598_100011219619 [0,2,0,0,0,0|2,0,0]=4 16484 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100011216503_100000210776 [0,2,0,0,0,0|2,0,0]=4 16485 B11R0.154 CN(CCCCO)CC(O)CO 269982a_100011216503_100000210776 [0,2,0,0,0,0|2,0,0]=4 16486 B11R0.154 CN(CCCCO)C[C@@H](O)CF 2230a_100000717598_100015614560 [0,2,0,0,0,0|2,0,0]=4 16487 B11R0.154 CN(CCCCO)C[C@@H](O)CO 2230a_100000717598_100009815848 [0,2,0,0,0,0|2,0,0]=4 16488 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,2,0,0,0,0|1,0,1]=4 16489 B11R0.154 COCCCC(C)OC(C)CO 34a_200011539412_100012180447 [0,2,0,0,0,0|2,0,0]=4 16490 B11R0.154 COCCCC(C)OC(C)CO 7a_200011539412_100012180447 [0,2,0,0,0,0|2,0,0]=4 16491 B11R0.154 COCCCN(C)CC(O)CO 2230a_100000224831_100011219619 [0,2,0,0,0,0|2,0,0]=4 16492 B11R0.154 COCCCN(C)CC(O)CO 2230a_100011216503_100000740836 [0,2,0,0,0,0|2,0,0]=4 16493 B11R0.154 COCCCN(C)CC(O)CO 269982a_100011216503_100000740836 [0,2,0,0,0,0|2,0,0]=4 16494 B11R0.154 COCCCN(C)C[C@@H](C)CO 2230a_100000224831_100000059175 [0,2,0,0,0,0|2,0,0]=4 16495 B11R0.154 COCCCN(C)C[C@@H](C)CO 269982a_100000224831_100000059175 [0,2,0,0,0,0|2,0,0]=4 16496 B11R0.154 COCCCN(C)C[C@@H](O)CF 2230a_100000224831_100015614560 [0,2,0,0,0,0|2,0,0]=4 16497 B11R0.154 COCCCN(C)C[C@@H](O)CO 2230a_100000224831_100009815848 [0,2,0,0,0,0|2,0,0]=4 16498 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,2,0,0,0,0|1,0,1]=4 16499 B11R0.154 CSCCCC(C)N[C@H](C)CO 270004a_100000737577_100011399439 [0,2,0,0,0,0|2,0,0]=4 16500 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,2,0,0,0,0|1,0,1]=4 16501 B11R0.154 C[C@@H](CO)CN(C)CCCCO 2230a_100000717598_100000059175 [0,2,0,0,0,0|2,0,0]=4 16502 B11R0.154 C[C@@H](CO)CN(C)CCCCO 269982a_100000717598_100000059175 [0,2,0,0,0,0|2,0,0]=4 16503 B11R0.165 CC(C)(O)CC(=O)CCCCF 1458a_100000693243_100000729493 [0,2,0,0,0,0|1,0,1]=4 16504 B11R0.165 CC(C)(O)CC(=O)CCCCO 1458a_100000693243_100000210776 [0,2,0,0,0,0|1,0,1]=4 16505 B11R0.165 CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210326 [0,2,0,0,0,0|1,0,1]=4 16506 B11R0.165 CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210326 [0,2,0,0,0,0|0,0,1]=3 16507 B11R0.165 CCCCCC(C)NC(C)(C)C 2230a_100000715429_200011218191 [0,2,0,0,0,0|2,0,0]=4 16508 B11R0.165 CCCCCC(C)OC(C)(C)C 34a_100011215632_100000210625 [0,2,0,0,0,0|2,0,0]=4 16509 B11R0.165 CCCCCC(C)OC(C)(C)C 34a_100015890283_200011218191 [0,2,0,0,0,0|2,0,0]=4 16510 B11R0.165 CCCCCC(C)OC(C)(C)C 7a_100015890283_200011218191 [0,2,0,0,0,0|2,0,0]=4 16511 B11R0.165 CCCCCC(C)SC(C)(C)C 62a_100000211941_200011218191 [0,2,0,0,0,0|2,0,0]=4 16512 B11R0.165 CCCCCC(C)SC(C)(C)C 62a_200011218191_100000211941 [0,2,0,0,0,0|2,0,0]=4 16513 B11R0.165 CCCCCN(C)CC(C)(C)C 2230a_100000742839_100000210326 [0,2,0,0,0,0|2,0,0]=4 16514 B11R0.165 CCCCCN(C)CC(C)(C)C 269982a_100000742839_100000210215 [0,2,0,0,0,0|2,0,0]=4 16515 B11R0.165 CCCCCN(C)CC(C)(C)C 270004a_100000223495_100011204126 [0,2,0,0,0,0|2,0,0]=4 16516 B11R0.165 CCCCCN(C)CC(C)(C)O 2230a_100000755907_100000210326 [0,2,0,0,0,0|1,0,0]=3 16517 B11R0.165 CCCCCN(C)CC(C)(C)O 269982a_100000755907_100000210215 [0,2,0,0,0,0|1,0,0]=3 16518 B11R0.165 CCCCNC(=O)CC(C)(C)O 527a_100000102301_100000693243 [0,2,0,0,0,0|1,0,1]=4 16519 B11R0.165 CCCCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210211 [0,2,0,0,0,0|2,0,0]=4 16520 B11R0.165 CCCCOC(C)CC(C)(C)C 7a_200011218616_100000210211 [0,2,0,0,0,0|2,0,0]=4 16521 B11R0.165 CCCOCC(C)CC(C)(C)C 7a_200011215325_100000210303 [0,2,0,0,0,0|2,0,0]=4 16522 B11R0.165 CCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215890 [0,2,0,0,0,0|1,0,1]=4 16523 B11R0.165 CCOCCC(C)CC(C)(C)C 7a_200011215431_100000210202 [0,2,0,0,0,0|2,0,0]=4 16524 B11R0.165 CCOCCN(C)CC(C)(C)O 2230a_100000755907_100011215890 [0,2,0,0,0,0|2,0,0]=4 16525 B11R0.165 CCOCCN(C)CC(C)(C)O 269982a_100000755907_100011215890 [0,2,0,0,0,0|2,0,0]=4 16526 B11R0.165 CCSCCC(=O)CC(C)(C)O 1458a_100000693243_100000757381 [0,2,0,0,0,0|1,0,1]=4 16527 B11R0.165 CCSCCN(C)CC(C)(C)O 2230a_100000755907_100000757381 [0,2,0,0,0,0|2,0,0]=4 16528 B11R0.165 CCSCCN(C)CC(C)(C)O 269982a_100000755907_100000757381 [0,2,0,0,0,0|2,0,0]=4 16529 B11R0.165 CN(CCCCF)CC(C)(C)O 2230a_100000755907_100000729493 [0,2,0,0,0,0|2,0,0]=4 16530 B11R0.165 CN(CCCCF)CC(C)(C)O 269982a_100000755907_100000729493 [0,2,0,0,0,0|2,0,0]=4 16531 B11R0.165 CN(CCCCO)CC(C)(C)O 2230a_100000755907_100000210776 [0,2,0,0,0,0|2,0,0]=4 16532 B11R0.165 CN(CCCCO)CC(C)(C)O 269982a_100000755907_100000210776 [0,2,0,0,0,0|2,0,0]=4 16533 B11R0.165 COCCCC(=O)CC(C)(C)O 1458a_100000693243_100000740836 [0,2,0,0,0,0|1,0,1]=4 16534 B11R0.165 COCCCN(C)CC(C)(C)O 2230a_100000755907_100000740836 [0,2,0,0,0,0|2,0,0]=4 16535 B11R0.165 COCCCN(C)CC(C)(C)O 269982a_100000755907_100000740836 [0,2,0,0,0,0|2,0,0]=4 16536 B11R0.324 CCCCNC(C)(C)CC(C)C 2230a_100011346068_100000210211 [0,2,0,0,0,0|2,0,0]=4 16537 B11R0.31 C=C(C)CCOCCC(C)(C)O 34a_100000764851_100000702414 [0,2,0,0,0,0|1,0,1]=4 16538 B11R0.31 C=C(C)CCSCCC(C)(C)O 62a_100000702414_100000730704 [0,2,0,0,0,0|1,0,1]=4 16539 B11R0.31 C=C(C)CCSCCC(C)(C)O 62a_100000730704_100000702414 [0,2,0,0,0,0|1,0,1]=4 16540 B11R0.31 C=C(C)COCCCC(C)(C)O 34a_100000210245_100009888830 [0,2,0,0,0,0|1,0,1]=4 16541 B11R0.31 C=C(C)CSCCCC(C)(C)O 62a_100000748629_100009888830 [0,2,0,0,0,0|1,0,1]=4 16542 B11R0.31 C=C(C)CSCCCC(C)(C)O 62a_100009888830_100000211660 [0,2,0,0,0,0|1,0,1]=4 16543 B11R0.31 CC(=O)CCCCCC(C)(C)C 1458a_100012017116_200000210301 [0,2,0,0,0,0|0,0,2]=4 16544 B11R0.31 CC(=O)CCCOCC(C)(C)O 34a_100000759063_100000764493 [0,2,0,0,0,0|1,0,1]=4 16545 B11R0.31 CC(=O)CCCOCC(C)(C)O 7a_100000759063_100000764493 [0,2,0,0,0,0|1,0,1]=4 16546 B11R0.31 CC(=O)CCCSCC(C)(C)O 62a_100000764493_100011215641 [0,2,0,0,0,0|1,0,1]=4 16547 B11R0.31 CC(=O)CCCSCC(C)(C)O 62a_100011215641_100000764493 [0,2,0,0,0,0|1,0,1]=4 16548 B11R0.31 CC(=O)CCOCCC(C)(C)O 34a_100000759926_100000702414 [0,2,0,0,0,0|1,0,1]=4 16549 B11R0.31 CC(=O)CCOCCC(C)(C)O 7a_100000759926_100000702414 [0,2,0,0,0,0|1,0,1]=4 16550 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000053229_100000702414 [0,2,0,0,0,0|1,0,1]=4 16551 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000702414_100000053229 [0,2,0,0,0,0|1,0,1]=4 16552 B11R0.31 CC(=O)COCCCC(C)(C)O 34a_100000211253_100009888830 [0,2,0,0,0,0|1,0,1]=4 16553 B11R0.31 CC(Br)CCOCCC(C)(C)C 34a_100009893172_100000755188 [0,2,0,0,0,0|2,0,0]=4 16554 B11R0.31 CC(Br)CCOCCC(C)(C)O 34a_100009893172_100000702414 [0,2,0,0,0,0|1,0,0]=3 16555 B11R0.31 CC(Br)COCCCC(C)(C)O 34a_100012180447_100009888830 [0,2,0,0,0,0|1,0,0]=3 16556 B11R0.31 CC(C)(C)CCCCCC(=O)[13CH3] 1458a_100012017116_200025704644 [0,2,0,0,0,0|0,0,2]=4 16557 B11R0.31 CC(C)(O)CCCNCC(F)F 34a_100000765723_100009888830 [0,2,0,0,0,0|2,0,0]=4 16558 B11R0.31 CC(C)(O)CCCOCC(F)F 34a_100000743014_100009888830 [0,2,0,0,0,0|2,0,0]=4 16559 B11R0.31 CC(C)(O)CCCSCC(F)F 62a_100009888830_100011934356 [0,2,0,0,0,0|2,0,0]=4 16560 B11R0.31 CC(C)(O)CCCSCC(F)F 62a_100011934356_100009888830 [0,2,0,0,0,0|2,0,0]=4 16561 B11R0.31 CC(C)(O)CCOCCC(F)F 34a_100103093639_100000702414 [0,2,0,0,0,0|2,0,0]=4 16562 B11R0.31 CC(C)CCCCNC(C)(C)C 2230a_100000715429_100011216152 [0,2,0,0,0,0|2,0,0]=4 16563 B11R0.31 CC(C)CCCCOC(C)(C)C 34a_100011214890_100000210625 [0,2,0,0,0,0|2,0,0]=4 16564 B11R0.31 CC(C)CCCCOC(C)(C)C 34a_100015890283_100011216152 [0,2,0,0,0,0|2,0,0]=4 16565 B11R0.31 CC(C)CCCCOC(C)(C)C 7a_100015890283_100011216152 [0,2,0,0,0,0|2,0,0]=4 16566 B11R0.31 CC(C)CCCCSC(C)(C)C 62a_100000211941_100011216152 [0,2,0,0,0,0|2,0,0]=4 16567 B11R0.31 CC(C)CCCCSC(C)(C)C 62a_100011216152_100000211941 [0,2,0,0,0,0|2,0,0]=4 16568 B11R0.31 CC(C)CCCNCC(C)(C)C 2230a_100000743828_100011214892 [0,2,0,0,0,0|2,0,0]=4 16569 B11R0.31 CC(C)CCCNCC(C)(C)C 270004a_200000737386_100011204126 [0,2,0,0,0,0|2,0,0]=4 16570 B11R0.31 CC(C)CCCNCC(C)(C)C 34a_200000737386_100011219605 [0,2,0,0,0,0|2,0,0]=4 16571 B11R0.31 CC(C)CCCNCC(C)(C)F 2230a_100020643315_100011214892 [0,2,0,0,0,0|2,0,0]=4 16572 B11R0.31 CC(C)CCCNCC(C)(C)F 34a_200000737386_100011997219 [0,2,0,0,0,0|2,0,0]=4 16573 B11R0.31 CC(C)CCCNCC(C)(C)O 2230a_100000751335_100011214892 [0,2,0,0,0,0|1,0,0]=3 16574 B11R0.31 CC(C)CCCNCC(C)(C)O 34a_200000737386_100000764493 [0,2,0,0,0,0|1,0,0]=3 16575 B11R0.31 CC(C)CCCOCC(C)(C)C 34a_100000210774_100011219605 [0,2,0,0,0,0|2,0,0]=4 16576 B11R0.31 CC(C)CCCOCC(C)(C)F 34a_100000210774_100011997219 [0,2,0,0,0,0|2,0,0]=4 16577 B11R0.31 CC(C)CCCOCC(C)(C)F 34a_100000716592_100011214892 [0,2,0,0,0,0|2,0,0]=4 16578 B11R0.31 CC(C)CCCOCC(C)(C)O 34a_100000210774_100000764493 [0,2,0,0,0,0|1,0,0]=3 16579 B11R0.31 CC(C)CCCOCC(C)(C)O 7a_100000210774_100000764493 [0,2,0,0,0,0|1,0,0]=3 16580 B11R0.31 CC(C)CCCOCC(C)(F)F 34a_100000068830_100011214892 [0,2,0,0,0,0|2,0,0]=4 16581 B11R0.31 CC(C)CCCSCC(C)(C)C 62a_100011214892_100011219605 [0,2,0,0,0,0|2,0,0]=4 16582 B11R0.31 CC(C)CCCSCC(C)(C)C 62a_100011219605_100011214892 [0,2,0,0,0,0|2,0,0]=4 16583 B11R0.31 CC(C)CCCSCC(C)(C)F 62a_100011214892_100011997219 [0,2,0,0,0,0|2,0,0]=4 16584 B11R0.31 CC(C)CCCSCC(C)(C)F 62a_100011997219_100011214892 [0,2,0,0,0,0|2,0,0]=4 16585 B11R0.31 CC(C)CCCSCC(C)(C)O 62a_100000764493_100011214892 [0,2,0,0,0,0|1,0,0]=3 16586 B11R0.31 CC(C)CCCSCC(C)(C)O 62a_100011214892_100000764493 [0,2,0,0,0,0|1,0,0]=3 16587 B11R0.31 CC(C)CCNCCC(C)(C)C 2230a_100000738805_100000210312 [0,2,0,0,0,0|2,0,0]=4 16588 B11R0.31 CC(C)CCNCCC(C)(C)C 269862a_100000738805_100000185833 [0,2,0,0,0,0|2,0,0]=4 16589 B11R0.31 CC(C)CCNCCC(C)(C)F 2230a_100016253952_100000210312 [0,2,0,0,0,0|2,0,0]=4 16590 B11R0.31 CC(C)CCNCCC(C)(C)F 269862a_100016253952_100000185833 [0,2,0,0,0,0|2,0,0]=4 16591 B11R0.31 CC(C)CCNCCC(C)(C)O 269862a_100000707701_100000185833 [0,2,0,0,0,0|1,0,0]=3 16592 B11R0.31 CC(C)CCOCCC(C)(C)C 34a_100000210254_100000755188 [0,2,0,0,0,0|2,0,0]=4 16593 B11R0.31 CC(C)CCOCCC(C)(C)C 7a_100000210254_100000755188 [0,2,0,0,0,0|2,0,0]=4 16594 B11R0.31 CC(C)CCOCCC(C)(C)C 7a_100000765024_100000210626 [0,2,0,0,0,0|2,0,0]=4 16595 B11R0.31 CC(C)CCOCCC(C)(C)O 34a_100000210254_100000702414 [0,2,0,0,0,0|1,0,0]=3 16596 B11R0.31 CC(C)CCOCCC(C)(C)O 7a_100000210254_100000702414 [0,2,0,0,0,0|1,0,0]=3 16597 B11R0.31 CC(C)CCSCCC(C)(C)C 62a_100000210312_100000755188 [0,2,0,0,0,0|2,0,0]=4 16598 B11R0.31 CC(C)CCSCCC(C)(C)C 62a_100000755188_100000210312 [0,2,0,0,0,0|2,0,0]=4 16599 B11R0.31 CC(C)CCSCCC(C)(C)O 62a_100000210312_100000702414 [0,2,0,0,0,0|1,0,0]=3 16600 B11R0.31 CC(C)CCSCCC(C)(C)O 62a_100000702414_100000210312 [0,2,0,0,0,0|1,0,0]=3 16601 B11R0.31 CC(C)CNCCCC(C)(C)O 2230a_100000210953_100009888830 [0,2,0,0,0,0|1,0,0]=3 16602 B11R0.31 CC(C)CNCCCC(C)(C)O 34a_100000210953_100009888830 [0,2,0,0,0,0|1,0,0]=3 16603 B11R0.31 CC(C)COCCCC(C)(C)O 34a_100000210257_100009888830 [0,2,0,0,0,0|1,0,0]=3 16604 B11R0.31 CC(C)CSCCCC(C)(C)O 62a_100000210624_100009888830 [0,2,0,0,0,0|1,0,0]=3 16605 B11R0.31 CC(C)CSCCCC(C)(C)O 62a_100009888830_100000210760 [0,2,0,0,0,0|1,0,0]=3 16606 B11R0.31 CC(C)NCCOCC(C)(C)O 34a_100000224655_100000764493 [0,2,0,0,0,0|2,0,0]=4 16607 B11R0.31 CC(C)OCCNCC(C)(C)O 2230a_100000751335_100000211751 [0,2,0,0,0,0|2,0,0]=4 16608 B11R0.31 CC(C)OCCNCC(C)(C)O 34a_100000701111_100000764493 [0,2,0,0,0,0|2,0,0]=4 16609 B11R0.31 CC(C)OCCOCC(C)(C)O 34a_100000211219_100000764493 [0,2,0,0,0,0|2,0,0]=4 16610 B11R0.31 CC(C)OCCOCC(C)(C)O 7a_100000211219_100000764493 [0,2,0,0,0,0|2,0,0]=4 16611 B11R0.31 CC(C)OCCSCC(C)(C)O 62a_100000211751_100000764493 [0,2,0,0,0,0|2,0,0]=4 16612 B11R0.31 CC(C)OCCSCC(C)(C)O 62a_100000764493_100000211751 [0,2,0,0,0,0|2,0,0]=4 16613 B11R0.31 CC(C)OCSCCC(C)(C)O 62a_100000702414_100000709892 [0,2,0,0,0,0|2,0,0]=4 16614 B11R0.31 CC(C)OCSCCC(C)(C)O 62a_100000709892_100000702414 [0,2,0,0,0,0|2,0,0]=4 16615 B11R0.31 CC(C)SCCNCC(C)(C)O 2230a_100000751335_100000730970 [0,2,0,0,0,0|2,0,0]=4 16616 B11R0.31 CC(C)SCCNCC(C)(C)O 34a_100000731138_100000764493 [0,2,0,0,0,0|2,0,0]=4 16617 B11R0.31 CC(C)SCCOCC(C)(C)O 34a_200011212901_100000764493 [0,2,0,0,0,0|2,0,0]=4 16618 B11R0.31 CC(C)SCCOCC(C)(C)O 7a_200011212901_100000764493 [0,2,0,0,0,0|2,0,0]=4 16619 B11R0.31 CC(C)SCCSCC(C)(C)O 62a_100000730970_100000764493 [0,2,0,0,0,0|2,0,0]=4 16620 B11R0.31 CC(C)SCCSCC(C)(C)O 62a_100000764493_100000730970 [0,2,0,0,0,0|2,0,0]=4 16621 B11R0.31 CC(F)COCCCC(C)(C)O 34a_100015925927_100009888830 [0,2,0,0,0,0|1,0,0]=3 16622 B11R0.31 CC(O)CCCNCC(C)(C)C 2230a_100000743828_200000718107 [0,2,0,0,0,0|1,0,0]=3 16623 B11R0.31 CC(O)CCCNCC(C)(C)F 2230a_100020643315_200000718107 [0,2,0,0,0,0|1,0,0]=3 16624 B11R0.31 CC(O)CCCNCC(C)(C)O 2230a_100000751335_200000718107 [0,2,0,0,0,0|1,0,0]=3 16625 B11R0.31 CC(O)CCCNCC(F)(F)F 34a_100000717047_200000718107 [0,2,0,0,0,0|2,0,0]=4 16626 B11R0.31 CC(O)CCCOCC(C)(C)F 34a_100000716592_200000718107 [0,2,0,0,0,0|1,0,0]=3 16627 B11R0.31 CC(O)CCCOCC(C)(F)F 34a_100000068830_200000718107 [0,2,0,0,0,0|1,0,0]=3 16628 B11R0.31 CC(O)CCCOCC(F)(F)Br 34a_100011217949_200000718107 [0,2,0,0,0,0|2,0,0]=4 16629 B11R0.31 CC(O)CCCOCC(F)(F)Cl 34a_100000734434_200000718107 [0,2,0,0,0,0|2,0,0]=4 16630 B11R0.31 CC(O)CCCOCC(F)(F)F 34a_100000210435_200000718107 [0,2,0,0,0,0|2,0,0]=4 16631 B11R0.31 CC(O)CCCSCC(C)(C)C 62a_100011219605_200000718107 [0,2,0,0,0,0|1,0,0]=3 16632 B11R0.31 CC(O)CCCSCC(C)(C)C 62a_200000718107_100011219605 [0,2,0,0,0,0|1,0,0]=3 16633 B11R0.31 CC(O)CCCSCC(C)(C)F 62a_100011997219_200000718107 [0,2,0,0,0,0|1,0,0]=3 16634 B11R0.31 CC(O)CCCSCC(C)(C)F 62a_200000718107_100011997219 [0,2,0,0,0,0|1,0,0]=3 16635 B11R0.31 CC(O)CCCSCC(C)(C)O 62a_100000764493_200000718107 [0,2,0,0,0,0|1,0,0]=3 16636 B11R0.31 CC(O)CCCSCC(C)(C)O 62a_200000718107_100000764493 [0,2,0,0,0,0|1,0,0]=3 16637 B11R0.31 CC(O)CCCSCC(F)(F)F 62a_100000763148_200000718107 [0,2,0,0,0,0|2,0,0]=4 16638 B11R0.31 CC(O)CCCSCC(F)(F)F 62a_200000718107_100000763148 [0,2,0,0,0,0|2,0,0]=4 16639 B11R0.31 CC(O)CCCSC[N+](C)(C)C 62a_200000036245_200000718107 [0,2,0,0,0,0|2,0,0]=4 16640 B11R0.31 CC(O)CCCSC[N+](C)(C)C 62a_200000718107_200000036245 [0,2,0,0,0,0|2,0,0]=4 16641 B11R0.31 CC(O)CCCSC[Si](C)(C)C 62a_100000037933_200000718107 [0,2,0,0,0,0|1,1,0]=4 16642 B11R0.31 CC(O)CCCSC[Si](C)(C)C 62a_200000718107_100000037933 [0,2,0,0,0,0|1,1,0]=4 16643 B11R0.31 CC(O)CCNCCC(C)(C)C 2230a_100000738805_100012276601 [0,2,0,0,0,0|1,0,0]=3 16644 B11R0.31 CC(O)CCNCCC(C)(C)C 2230a_200000755665_100000755188 [0,2,0,0,0,0|1,0,0]=3 16645 B11R0.31 CC(O)CCNCCC(C)(C)F 2230a_100016253952_100012276601 [0,2,0,0,0,0|1,0,0]=3 16646 B11R0.31 CC(O)CCNCCC(C)(C)O 2230a_200000755665_100000702414 [0,2,0,0,0,0|1,0,0]=3 16647 B11R0.31 CC(O)CCNCCC(F)(F)F 2230a_100000740434_100012276601 [0,2,0,0,0,0|2,0,0]=4 16648 B11R0.31 CC(O)CCNCCC(F)(F)F 34a_100000740434_100012276601 [0,2,0,0,0,0|2,0,0]=4 16649 B11R0.31 CC(O)CCNCCS(=O)(=O)C 2230a_100000740961_100012276601 [0,2,0,0,0,0|2,0,0]=4 16650 B11R0.31 CC(O)CCNCCS(=O)(=O)C 2230a_200000755665_100000731031 [0,2,0,0,0,0|2,0,0]=4 16651 B11R0.31 CC(O)CCNCCS(=O)(=O)C 34a_100000740961_100012276601 [0,2,0,0,0,0|2,0,0]=4 16652 B11R0.31 CC(O)CCNCC[Si](C)(C)C 2230a_200000755665_200000733723 [0,2,0,0,0,0|1,1,0]=4 16653 B11R0.31 CC(O)CCOCCC(C)(C)C 7a_100000765024_100012276601 [0,2,0,0,0,0|1,0,0]=3 16654 B11R0.31 CC(O)CCOCCC(F)(F)F 34a_100000752437_100012276601 [0,2,0,0,0,0|2,0,0]=4 16655 B11R0.31 CC(O)CCOCCS(=O)(=O)C 34a_100000211924_100012276601 [0,2,0,0,0,0|2,0,0]=4 16656 B11R0.31 CC(O)CCOCCS(=O)(=O)C 7a_100000211924_100012276601 [0,2,0,0,0,0|2,0,0]=4 16657 B11R0.31 CC(O)CCOCC[N+](C)(C)C 7a_200020618287_100012276601 [0,2,0,0,0,0|2,0,0]=4 16658 B11R0.31 CC(O)CCOCC[Si](C)(C)C 7a_100000039746_100012276601 [0,2,0,0,0,0|1,1,0]=4 16659 B11R0.31 CC(O)CCSCCC(C)(C)C 62a_100000755188_100012276601 [0,2,0,0,0,0|1,0,0]=3 16660 B11R0.31 CC(O)CCSCCC(C)(C)C 62a_100012276601_100000755188 [0,2,0,0,0,0|1,0,0]=3 16661 B11R0.31 CC(O)CCSCCC(C)(C)O 62a_100000702414_100012276601 [0,2,0,0,0,0|1,0,0]=3 16662 B11R0.31 CC(O)CCSCCC(C)(C)O 62a_100012276601_100000702414 [0,2,0,0,0,0|1,0,0]=3 16663 B11R0.31 CC(O)CCSCCC(F)(F)F 62a_100011219754_100012276601 [0,2,0,0,0,0|2,0,0]=4 16664 B11R0.31 CC(O)CCSCCC(F)(F)F 62a_100012276601_100011219754 [0,2,0,0,0,0|2,0,0]=4 16665 B11R0.31 CC(O)CCSCCS(=O)(=O)C 62a_100000731031_100012276601 [0,2,0,0,0,0|2,0,0]=4 16666 B11R0.31 CC(O)CCSCCS(=O)(=O)C 62a_100012276601_100000230027 [0,2,0,0,0,0|2,0,0]=4 16667 B11R0.31 CC(O)CCSCC[N+](C)(C)C 62a_100000085578_100012276601 [0,2,0,0,0,0|2,0,0]=4 16668 B11R0.31 CC(O)CCSCC[N+](C)(C)C 62a_100012276601_100000085578 [0,2,0,0,0,0|2,0,0]=4 16669 B11R0.31 CC(O)CCSCC[Si](C)(C)C 62a_100012276601_200000733723 [0,2,0,0,0,0|1,1,0]=4 16670 B11R0.31 CC(O)CCSCC[Si](C)(C)C 62a_200000733723_100012276601 [0,2,0,0,0,0|1,1,0]=4 16671 B11R0.31 CC(O)CNCCCC(C)(C)O 2230a_100000210904_100009888830 [0,2,0,0,0,0|1,0,0]=3 16672 B11R0.31 CC(O)CNCCCC(C)(C)O 34a_100000210904_100009888830 [0,2,0,0,0,0|1,0,0]=3 16673 B11R0.31 CC(O)CNCCCC(F)(F)F 2230a_100000210904_100011215983 [0,2,0,0,0,0|2,0,0]=4 16674 B11R0.31 CC(O)CNCCCC(F)(F)F 2230a_100000727188_100011218427 [0,2,0,0,0,0|2,0,0]=4 16675 B11R0.31 CC(O)CNCCCC(F)(F)F 34a_100000210904_100011215983 [0,2,0,0,0,0|2,0,0]=4 16676 B11R0.31 CC(O)CNCCCC(F)(F)F 34a_100000727188_100011218427 [0,2,0,0,0,0|2,0,0]=4 16677 B11R0.31 CC(O)CNCCCS(=O)(=O)C 2230a_100000210904_100000754308 [0,2,0,0,0,0|2,0,0]=4 16678 B11R0.31 CC(O)CNCCCS(=O)(=O)C 2230a_100000742409_100011218427 [0,2,0,0,0,0|2,0,0]=4 16679 B11R0.31 CC(O)CNCCCS(=O)(=O)C 34a_100000210904_100000754308 [0,2,0,0,0,0|2,0,0]=4 16680 B11R0.31 CC(O)CNCCCS(=O)(=O)C 34a_100000742409_100011218427 [0,2,0,0,0,0|2,0,0]=4 16681 B11R0.31 CC(O)CNCCC[N+](C)(C)C 2230a_100000210904_100016990835 [0,2,0,0,0,0|2,0,0]=4 16682 B11R0.31 CC(O)CNCCC[N+](C)(C)C 34a_100000210904_100016990835 [0,2,0,0,0,0|2,0,0]=4 16683 B11R0.31 CC(O)CNCCC[Si](C)(C)C 2230a_100000210904_100011219597 [0,2,0,0,0,0|1,1,0]=4 16684 B11R0.31 CC(O)CNCCC[Si](C)(C)C 34a_100000210904_100011219597 [0,2,0,0,0,0|1,1,0]=4 16685 B11R0.31 CC(O)CNCCOC(C)(C)C 2230a_100000747557_100011218427 [0,2,0,0,0,0|2,0,0]=4 16686 B11R0.31 CC(O)CNCCSC(C)(C)C 2230a_100000689375_100011218427 [0,2,0,0,0,0|2,0,0]=4 16687 B11R0.31 CC(O)COCCCC(F)(F)F 34a_100000749235_100011218427 [0,2,0,0,0,0|2,0,0]=4 16688 B11R0.31 CC(O)COCCCS(=O)(=O)C 34a_100000689940_100011218427 [0,2,0,0,0,0|2,0,0]=4 16689 B11R0.31 CC(O)COCCCS(=O)(=O)C 7a_100000689940_100011218427 [0,2,0,0,0,0|2,0,0]=4 16690 B11R0.31 CC(O)COCCC[Si](C)(C)C 7a_200011215415_100011218427 [0,2,0,0,0,0|1,1,0]=4 16691 B11R0.31 CC(O)COCCOC(C)(C)C 34a_100000693234_100011218427 [0,2,0,0,0,0|2,0,0]=4 16692 B11R0.31 CC(O)COCCOC(C)(C)C 7a_100000693234_100011218427 [0,2,0,0,0,0|2,0,0]=4 16693 B11R0.31 CC(O)CSCCCC(C)(C)O 62a_100009888830_100011218427 [0,2,0,0,0,0|1,0,0]=3 16694 B11R0.31 CC(O)CSCCCC(C)(C)O 62a_100011218427_100009888830 [0,2,0,0,0,0|1,0,0]=3 16695 B11R0.31 CC(O)CSCCCC(F)(F)F 62a_100011216173_100011218427 [0,2,0,0,0,0|2,0,0]=4 16696 B11R0.31 CC(O)CSCCCC(F)(F)F 62a_100011218427_100011216173 [0,2,0,0,0,0|2,0,0]=4 16697 B11R0.31 CC(O)CSCCCS(=O)(=O)C 62a_100000754308_100011218427 [0,2,0,0,0,0|2,0,0]=4 16698 B11R0.31 CC(O)CSCCCS(=O)(=O)C 62a_100011218427_100000754308 [0,2,0,0,0,0|2,0,0]=4 16699 B11R0.31 CC(O)CSCCC[N+](C)(C)C 62a_100011218427_100016990835 [0,2,0,0,0,0|2,0,0]=4 16700 B11R0.31 CC(O)CSCCC[N+](C)(C)C 62a_100016990835_100011218427 [0,2,0,0,0,0|2,0,0]=4 16701 B11R0.31 CC(O)CSCCC[Si](C)(C)C 62a_100011218427_100011219597 [0,2,0,0,0,0|1,1,0]=4 16702 B11R0.31 CC(O)CSCCC[Si](C)(C)C 62a_100011219597_100011218427 [0,2,0,0,0,0|1,1,0]=4 16703 B11R0.31 CN(C)CCCCCC(C)(C)O 2230a_100102631434_100010402123 [0,2,0,0,0,0|1,0,0]=3 16704 B11R0.31 CN(C)CCCCCC(C)(C)O 269982a_100102631434_100010402123 [0,2,0,0,0,0|1,0,0]=3 16705 B11R0.31 CN(C)CCCSCC(C)(C)O 62a_100000764493_100000757444 [0,2,0,0,0,0|2,0,0]=4 16706 B11R0.31 CN(C)CCSCCC(C)(C)O 62a_100000702414_100000755713 [0,2,0,0,0,0|2,0,0]=4 16707 B11R0.31 C[C@@H](Cl)COCCCC(C)(C)O 34a_100016084084_100009888830 [0,2,0,0,0,0|1,0,0]=3 16708 B11R0.31 C[C@@H](N)CCOCCC(C)(C)C 34a_100000706166_100000755188 [0,2,0,0,0,0|2,0,0]=4 16709 B11R0.31 C[C@@H](N)CCOCCC(C)(C)O 34a_100000706166_100000702414 [0,2,0,0,0,0|1,0,0]=3 16710 B11R0.31 C[C@@H](N)COCCCC(C)(C)O 34a_100000737577_100009888830 [0,2,0,0,0,0|1,0,0]=3 16711 B11R0.31 C[C@@H](O)CNCCCC(F)(F)F 2230a_100000727188_100009817552 [0,2,0,0,0,0|2,0,0]=4 16712 B11R0.31 C[C@@H](O)CNCCCC(F)(F)F 34a_100000727188_100009817552 [0,2,0,0,0,0|2,0,0]=4 16713 B11R0.31 C[C@@H](O)CNCCCS(=O)(=O)C 2230a_100000742409_100009817552 [0,2,0,0,0,0|2,0,0]=4 16714 B11R0.31 C[C@@H](O)CNCCCS(=O)(=O)C 34a_100000742409_100009817552 [0,2,0,0,0,0|2,0,0]=4 16715 B11R0.31 C[C@@H](O)CNCCOC(C)(C)C 2230a_100000747557_100009817552 [0,2,0,0,0,0|2,0,0]=4 16716 B11R0.31 C[C@@H](O)CNCCSC(C)(C)C 2230a_100000689375_100009817552 [0,2,0,0,0,0|2,0,0]=4 16717 B11R0.31 C[C@@H](O)COCCCC(F)(F)F 34a_100000749235_100009817552 [0,2,0,0,0,0|2,0,0]=4 16718 B11R0.31 C[C@@H](O)COCCCS(=O)(=O)C 34a_100000689940_100009817552 [0,2,0,0,0,0|2,0,0]=4 16719 B11R0.31 C[C@@H](O)COCCCS(=O)(=O)C 7a_100000689940_100009817552 [0,2,0,0,0,0|2,0,0]=4 16720 B11R0.31 C[C@@H](O)COCCC[Si](C)(C)C 7a_200011215415_100009817552 [0,2,0,0,0,0|1,1,0]=4 16721 B11R0.31 C[C@@H](O)COCCOC(C)(C)C 34a_100000693234_100009817552 [0,2,0,0,0,0|2,0,0]=4 16722 B11R0.31 C[C@@H](O)COCCOC(C)(C)C 7a_100000693234_100009817552 [0,2,0,0,0,0|2,0,0]=4 16723 B11R0.31 C[C@@H](O)CSCCCC(C)(C)O 62a_100009817552_100009888830 [0,2,0,0,0,0|1,0,0]=3 16724 B11R0.31 C[C@@H](O)CSCCCC(C)(C)O 62a_100009888830_100009817552 [0,2,0,0,0,0|1,0,0]=3 16725 B11R0.31 C[C@@H](O)CSCCCC(F)(F)F 62a_100009817552_100011216173 [0,2,0,0,0,0|2,0,0]=4 16726 B11R0.31 C[C@@H](O)CSCCCC(F)(F)F 62a_100011216173_100009817552 [0,2,0,0,0,0|2,0,0]=4 16727 B11R0.31 C[C@@H](O)CSCCCS(=O)(=O)C 62a_100000754308_100009817552 [0,2,0,0,0,0|2,0,0]=4 16728 B11R0.31 C[C@@H](O)CSCCCS(=O)(=O)C 62a_100009817552_100000754308 [0,2,0,0,0,0|2,0,0]=4 16729 B11R0.31 C[C@@H](O)CSCCC[N+](C)(C)C 62a_100009817552_100016990835 [0,2,0,0,0,0|2,0,0]=4 16730 B11R0.31 C[C@@H](O)CSCCC[N+](C)(C)C 62a_100016990835_100009817552 [0,2,0,0,0,0|2,0,0]=4 16731 B11R0.31 C[C@@H](O)CSCCC[Si](C)(C)C 62a_100009817552_100011219597 [0,2,0,0,0,0|1,1,0]=4 16732 B11R0.31 C[C@@H](O)CSCCC[Si](C)(C)C 62a_100011219597_100009817552 [0,2,0,0,0,0|1,1,0]=4 16733 B11R0.49 C#CC(C)(C)NCCCCCC 34a_100000054563_100000210314 [0,2,0,0,0,0|2,0,0]=4 16734 B11R0.49 C#CC(C)(C)OCCCCCC 34a_100000189450_100000210314 [0,2,0,0,0,0|2,0,0]=4 16735 B11R0.49 C#CC(C)(C)OCCCCCC 34a_100000210259_100000038118 [0,2,0,0,0,0|2,0,0]=4 16736 B11R0.49 C#CC(C)(C)OCCCCCC 7a_100000189450_100000210314 [0,2,0,0,0,0|2,0,0]=4 16737 B11R0.49 C#CC(C)(C)SCCCCCC 62a_100000038118_100000210757 [0,2,0,0,0,0|2,0,0]=4 16738 B11R0.49 C#CC(C)(C)SCCCCCC 62a_100000210314_100000038118 [0,2,0,0,0,0|2,0,0]=4 16739 B11R0.49 C=CC(C)(C)OCCCCCC 34a_100011215311_100000210314 [0,2,0,0,0,0|2,0,0]=4 16740 B11R0.49 C=CC(C)(C)OCCCCCC 7a_100011215311_100000210314 [0,2,0,0,0,0|2,0,0]=4 16741 B11R0.49 CC(C)(CO)CCCNCCF 2230a_100000039164_100011217306 [0,2,0,0,0,0|2,0,0]=4 16742 B11R0.49 CC(C)(CO)CCCNCCO 2230a_100000039164_100000211926 [0,2,0,0,0,0|2,0,0]=4 16743 B11R0.49 CC(C)(CO)CNCCCCF 2230a_100020635058_100000729493 [0,2,0,0,0,0|2,0,0]=4 16744 B11R0.49 CC(C)(CO)CNCCCCO 2230a_100020635058_100000210776 [0,2,0,0,0,0|2,0,0]=4 16745 B11R0.49 CC(C)(CO)CNCCCCO 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 16746 B11R0.49 CC(C)(CO)COCCCCBr 34a_100011216708_100009813988 [0,2,0,0,0,0|2,0,0]=4 16747 B11R0.49 CC(C)(CO)COCCCCCl 34a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 16748 B11R0.49 CC(C)(CO)COCCCCCl 7a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 16749 B11R0.49 CC(C)(CO)COCCCCF 34a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 16750 B11R0.49 CC(C)(CO)COCCCCF 7a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 16751 B11R0.49 CC(C)(CO)COCCCCI 34a_200012148704_100009813988 [0,2,0,0,0,0|2,0,0]=4 16752 B11R0.49 CC(C)(CO)COCCCCN 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 16753 B11R0.49 CC(C)(CO)CSCCCCF 62a_100000729493_100009813988 [0,2,0,0,0,0|2,0,0]=4 16754 B11R0.49 CC(C)(CO)CSCCCCF 62a_100009813988_100000729493 [0,2,0,0,0,0|2,0,0]=4 16755 B11R0.49 CC(C)(CO)CSCCCCO 62a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 16756 B11R0.49 CC(C)(CO)CSCCCCO 62a_100009813988_100000210776 [0,2,0,0,0,0|2,0,0]=4 16757 B11R0.49 CC(C)(CO)NCCCCCF 2230a_100000210608_100000729378 [0,2,0,0,0,0|2,0,0]=4 16758 B11R0.49 CC(C)(CO)NCCCCCO 2230a_100000210608_100000746330 [0,2,0,0,0,0|2,0,0]=4 16759 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,2,0,0,0,0|1,0,0]=3 16760 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,2,0,0,0,0|1,0,0]=3 16761 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,2,0,0,0,0|0,0,0]=2 16762 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,2,0,0,0,0|0,1,0]=3 16763 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,2,0,0,0,0|0,1,0]=3 16764 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,2,0,0,0,0|0,1,0]=3 16765 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,2,0,0,0,0|0,1,0]=3 16766 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,2,0,0,0,0|2,0,0]=4 16767 B11R0.49 CCCCCCNC(C)(C)CO 2230a_100000210608_100000210314 [0,2,0,0,0,0|1,0,0]=3 16768 B11R0.49 CCCCCCOC(C)(C)C#N 34a_100000210259_100011162410 [0,2,0,0,0,0|2,0,0]=4 16769 B11R0.49 CCCCCCOC(C)(C)C#N 34a_200015195151_100000210314 [0,2,0,0,0,0|2,0,0]=4 16770 B11R0.49 CCCCCCOC(C)(C)C#N 7a_100000210259_100011162410 [0,2,0,0,0,0|2,0,0]=4 16771 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,2,0,0,0,0|2,0,0]=4 16772 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,2,0,0,0,0|2,0,0]=4 16773 B11R0.49 CCCCCCOC(C)(C)CCl 7a_100000764493_100000210314 [0,2,0,0,0,0|2,0,0]=4 16774 B11R0.49 CCCCCCSC(C)(C)C#N 62a_100000210314_100011162410 [0,2,0,0,0,0|2,0,0]=4 16775 B11R0.49 CCCCCCSC(C)(C)C#N 62a_100011162410_100000210757 [0,2,0,0,0,0|2,0,0]=4 16776 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,2,0,0,0,0|2,0,0]=4 16777 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,2,0,0,0,0|2,0,0]=4 16778 B11R0.49 CCCCCCSC(F)(F)CO 62a_100000210314_100011217949 [0,2,0,0,0,0|2,0,0]=4 16779 B11R0.49 CCCCCCSC(F)(F)CO 62a_100011217949_100000210757 [0,2,0,0,0,0|2,0,0]=4 16780 B11R0.49 CCCCCNCC(C)(C)CO 2230a_100020635058_100000210326 [0,2,0,0,0,0|1,0,0]=3 16781 B11R0.49 CCCCCNCC(C)(C)OC 2230a_100000763424_100000210326 [0,2,0,0,0,0|1,0,0]=3 16782 B11R0.49 CCCCCNCC(C)(C)SC 270004a_100000209983_100009845794 [0,2,0,0,0,0|1,1,0]=4 16783 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,2,0,0,0,0|2,0,0]=4 16784 B11R0.49 CCCCCOCC(C)(C)CCl 7a_100011217199_100000210326 [0,2,0,0,0,0|2,0,0]=4 16785 B11R0.49 CCCCCOCC(C)(C)CO 34a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 16786 B11R0.49 CCCCCOCC(C)(C)CO 7a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 16787 B11R0.49 CCCCCOCC(C)(C)OC 34a_100000210253_100000701081 [0,2,0,0,0,0|1,0,0]=3 16788 B11R0.49 CCCCCOCC(F)(F)CN 34a_100000703232_100000718602 [0,2,0,0,0,0|2,0,0]=4 16789 B11R0.49 CCCCCSCC(C)(C)CO 62a_100000210326_100009813988 [0,2,0,0,0,0|1,0,0]=3 16790 B11R0.49 CCCCCSCC(C)(C)CO 62a_100009813988_100000210326 [0,2,0,0,0,0|1,0,0]=3 16791 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000210326_100000701081 [0,2,0,0,0,0|1,0,0]=3 16792 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000701081_100000210326 [0,2,0,0,0,0|1,0,0]=3 16793 B11R0.49 CCCCOCCC(C)(C)OC 7a_100000699976_100000210211 [0,2,0,0,0,0|1,0,0]=3 16794 B11R0.49 CCCCOCNC(C)(C)CO 2230a_100000210608_100011995733 [0,2,0,0,0,0|2,0,0]=4 16795 B11R0.49 CCCNCCCC(C)(C)CO 2230a_100000039164_100000210303 [0,2,0,0,0,0|1,0,0]=3 16796 B11R0.49 CCCOCCCC(C)(C)C#N 34a_100000210258_100000759902 [0,2,0,0,0,0|2,0,0]=4 16797 B11R0.49 CCCOCCNC(C)(C)CO 2230a_100000210608_100011215938 [0,2,0,0,0,0|2,0,0]=4 16798 B11R0.49 CCCSCCCC(C)(C)C#N 62a_100000210303_100000759902 [0,2,0,0,0,0|2,0,0]=4 16799 B11R0.49 CCCSCCCC(C)(C)C#N 62a_100000759902_100000210303 [0,2,0,0,0,0|2,0,0]=4 16800 B11R0.49 CCOCCCNC(C)(C)CO 2230a_100000210608_100012232248 [0,2,0,0,0,0|2,0,0]=4 16801 B11R0.49 CCOCCNCC(C)(C)CO 2230a_100020635058_100011215890 [0,2,0,0,0,0|2,0,0]=4 16802 B11R0.49 CCOCCNCC(C)(C)CO 34a_102516460346_100009813988 [0,2,0,0,0,0|2,0,0]=4 16803 B11R0.49 CCOCCNCC(C)(C)OC 2230a_100000763424_100011215890 [0,2,0,0,0,0|2,0,0]=4 16804 B11R0.49 CCOCCNCC(C)(C)OC 34a_102516460346_100000701081 [0,2,0,0,0,0|2,0,0]=4 16805 B11R0.49 CCOCCOCC(C)(C)CO 34a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 16806 B11R0.49 CCOCCOCC(C)(C)CO 7a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 16807 B11R0.49 CCOCCOCC(C)(C)OC 34a_100000210136_100000701081 [0,2,0,0,0,0|2,0,0]=4 16808 B11R0.49 CCOCCSCC(C)(C)CO 62a_100000210147_100009813988 [0,2,0,0,0,0|2,0,0]=4 16809 B11R0.49 CCOCCSCC(C)(C)CO 62a_100009813988_100011215890 [0,2,0,0,0,0|2,0,0]=4 16810 B11R0.49 CCOCCSCC(C)(C)OC 62a_100000210147_100000701081 [0,2,0,0,0,0|2,0,0]=4 16811 B11R0.49 CCOCCSCC(C)(C)OC 62a_100000701081_100011215890 [0,2,0,0,0,0|2,0,0]=4 16812 B11R0.49 CCSCCNCC(C)(C)CO 2230a_100020635058_100000757381 [0,2,0,0,0,0|2,0,0]=4 16813 B11R0.49 CCSCCNCC(C)(C)OC 2230a_100000763424_100000757381 [0,2,0,0,0,0|2,0,0]=4 16814 B11R0.49 CCSCCOCC(C)(C)CO 34a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 16815 B11R0.49 CCSCCOCC(C)(C)CO 7a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 16816 B11R0.49 CCSCCOCC(C)(C)OC 34a_100000212035_100000701081 [0,2,0,0,0,0|2,0,0]=4 16817 B11R0.49 CCSCCSCC(C)(C)CO 62a_100000757381_100009813988 [0,2,0,0,0,0|2,0,0]=4 16818 B11R0.49 CCSCCSCC(C)(C)CO 62a_100009813988_100000757381 [0,2,0,0,0,0|2,0,0]=4 16819 B11R0.49 CCSCCSCC(C)(C)OC 62a_100000701081_100000757381 [0,2,0,0,0,0|2,0,0]=4 16820 B11R0.49 CCSCCSCC(C)(C)OC 62a_100000757381_100000701081 [0,2,0,0,0,0|2,0,0]=4 16821 B11R0.49 CNCCCOCC(C)(C)CO 34a_100000213112_100009813988 [0,2,0,0,0,0|2,0,0]=4 16822 B11R0.49 CNCCCOCC(C)(C)OC 34a_100000213112_100000701081 [0,2,0,0,0,0|2,0,0]=4 16823 B11R0.49 COC(C)(C)CCOCCCF 7a_100000699976_100011934791 [0,2,0,0,0,0|2,0,0]=4 16824 B11R0.49 COC(C)(C)CCOCCCO 7a_100000699976_100011215043 [0,2,0,0,0,0|2,0,0]=4 16825 B11R0.49 COC(C)(C)CCOCCSC 7a_100000699976_100000212216 [0,2,0,0,0,0|2,0,0]=4 16826 B11R0.49 COC(C)(C)CNCCCCF 2230a_100000763424_100000729493 [0,2,0,0,0,0|2,0,0]=4 16827 B11R0.49 COC(C)(C)CNCCCCO 2230a_100000763424_100000210776 [0,2,0,0,0,0|2,0,0]=4 16828 B11R0.49 COC(C)(C)CNCCCCO 34a_100000750430_100000701081 [0,2,0,0,0,0|2,0,0]=4 16829 B11R0.49 COC(C)(C)COCCCCBr 34a_100011216708_100000701081 [0,2,0,0,0,0|2,0,0]=4 16830 B11R0.49 COC(C)(C)COCCCCCl 34a_100000210776_100000701081 [0,2,0,0,0,0|2,0,0]=4 16831 B11R0.49 COC(C)(C)COCCCCF 34a_100011995726_100000701081 [0,2,0,0,0,0|2,0,0]=4 16832 B11R0.49 COC(C)(C)COCCCCI 34a_200012148704_100000701081 [0,2,0,0,0,0|2,0,0]=4 16833 B11R0.49 COC(C)(C)COCCCCN 34a_100000750430_100000701081 [0,2,0,0,0,0|2,0,0]=4 16834 B11R0.49 COC(C)(C)COCCCSC 34a_100000690336_100000701081 [0,2,0,0,0,0|2,0,0]=4 16835 B11R0.49 COC(C)(C)CSCCCCF 62a_100000701081_100000729493 [0,2,0,0,0,0|2,0,0]=4 16836 B11R0.49 COC(C)(C)CSCCCCF 62a_100000729493_100000701081 [0,2,0,0,0,0|2,0,0]=4 16837 B11R0.49 COC(C)(C)CSCCCCO 62a_100000210776_100000701081 [0,2,0,0,0,0|2,0,0]=4 16838 B11R0.49 COC(C)(C)CSCCCCO 62a_100000701081_100000210776 [0,2,0,0,0,0|2,0,0]=4 16839 B11R0.49 COCCCCNC(C)(C)CO 2230a_100000210608_100000730899 [0,2,0,0,0,0|2,0,0]=4 16840 B11R0.49 COCCCNCC(C)(C)CO 2230a_100020635058_100000740836 [0,2,0,0,0,0|2,0,0]=4 16841 B11R0.49 COCCCNCC(C)(C)CO 34a_100150723488_100009813988 [0,2,0,0,0,0|2,0,0]=4 16842 B11R0.49 COCCCNCC(C)(C)OC 2230a_100000763424_100000740836 [0,2,0,0,0,0|2,0,0]=4 16843 B11R0.49 COCCCNCC(C)(C)OC 34a_100150723488_100000701081 [0,2,0,0,0,0|2,0,0]=4 16844 B11R0.49 COCCCOCC(C)(C)CO 34a_100000740835_100009813988 [0,2,0,0,0,0|2,0,0]=4 16845 B11R0.49 COCCCOCC(C)(C)OC 34a_100000740835_100000701081 [0,2,0,0,0,0|2,0,0]=4 16846 B11R0.49 COCCCSCC(C)(C)CO 62a_100000709357_100009813988 [0,2,0,0,0,0|2,0,0]=4 16847 B11R0.49 COCCCSCC(C)(C)CO 62a_100009813988_100000709357 [0,2,0,0,0,0|2,0,0]=4 16848 B11R0.49 COCCCSCC(C)(C)OC 62a_100000701081_100000709357 [0,2,0,0,0,0|2,0,0]=4 16849 B11R0.49 COCCCSCC(C)(C)OC 62a_100000709357_100000701081 [0,2,0,0,0,0|2,0,0]=4 16850 B11R0.49 COCCOCCC(C)(C)OC 7a_100000699976_100000233755 [0,2,0,0,0,0|2,0,0]=4 16851 B11R0.49 COCNCCCC(C)(C)CO 2230a_100000039164_100000766300 [0,2,0,0,0,0|2,0,0]=4 16852 B11R0.49 CSCCCOCC(C)(C)CO 34a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 16853 B11R0.49 CSCCCOCC(C)(C)CO 7a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 16854 B11R0.49 CSCNCCCC(C)(C)CO 2230a_100000039164_100011218213 [0,2,0,0,0,0|2,0,0]=4 16855 B11R0.82 CC(CCCCl)OCC(C)(C)O 34a_200000718107_100000764493 [0,2,0,0,0,0|2,0,0]=4 16856 B11R0.82 CC(CCCCl)OCC(C)(C)O 7a_200000718107_100000764493 [0,2,0,0,0,0|2,0,0]=4 16857 B11R0.82 CCCCC(=O)CCC(C)(C)C 1458a_100000210183_100000755188 [0,2,0,0,0,0|1,0,1]=4 16858 B11R0.82 CCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210211 [0,2,0,0,0,0|1,0,1]=4 16859 B11R0.82 CCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210211 [0,2,0,0,0,0|1,0,1]=4 16860 B11R0.82 CCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000210183 [0,2,0,0,0,0|1,0,1]=4 16861 B11R0.82 CCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000210183 [0,2,0,0,0,0|1,0,1]=4 16862 B11R0.82 CCCCC(=O)NCC(C)(C)O 527a_100000751335_100000210183 [0,2,0,0,0,0|1,0,1]=4 16863 B11R0.82 CCCCC(C)COC(C)(C)C 34a_100011995851_100000210625 [0,2,0,0,0,0|2,0,0]=4 16864 B11R0.82 CCCCC(C)NCC(C)(C)C 2230a_100000743828_200011215066 [0,2,0,0,0,0|2,0,0]=4 16865 B11R0.82 CCCCC(C)NCC(C)(C)C 270004a_100000126638_100011204126 [0,2,0,0,0,0|2,0,0]=4 16866 B11R0.82 CCCCC(C)NCC(C)(C)C 270004a_100000743828_100000210087 [0,2,0,0,0,0|2,0,0]=4 16867 B11R0.82 CCCCC(C)NCC(C)(C)F 2230a_100020643315_200011215066 [0,2,0,0,0,0|2,0,0]=4 16868 B11R0.82 CCCCC(C)NCC(C)(C)F 270004a_100020643315_100000210087 [0,2,0,0,0,0|2,0,0]=4 16869 B11R0.82 CCCCC(C)NCC(C)(C)O 2230a_100000751335_200011215066 [0,2,0,0,0,0|1,0,0]=3 16870 B11R0.82 CCCCC(C)NCC(C)(C)O 270004a_100000751335_100000210087 [0,2,0,0,0,0|1,0,0]=3 16871 B11R0.82 CCCCC(C)NCC(C)(F)F 270004a_100000731000_100000210087 [0,2,0,0,0,0|2,0,0]=4 16872 B11R0.82 CCCCC(C)OCC(C)(C)C 34a_100000687866_100011219605 [0,2,0,0,0,0|2,0,0]=4 16873 B11R0.82 CCCCC(C)OCC(C)(C)F 34a_100000687866_100011997219 [0,2,0,0,0,0|2,0,0]=4 16874 B11R0.82 CCCCC(C)OCC(C)(C)F 34a_100000716592_200011215066 [0,2,0,0,0,0|2,0,0]=4 16875 B11R0.82 CCCCC(C)OCC(C)(C)O 34a_100000687866_100000764493 [0,2,0,0,0,0|1,0,0]=3 16876 B11R0.82 CCCCC(C)OCC(C)(C)O 7a_100000687866_100000764493 [0,2,0,0,0,0|1,0,0]=3 16877 B11R0.82 CCCCC(C)OCC(C)(F)F 34a_100000068830_200011215066 [0,2,0,0,0,0|2,0,0]=4 16878 B11R0.82 CCCCC(C)SCC(C)(C)C 62a_100011219605_200011215066 [0,2,0,0,0,0|2,0,0]=4 16879 B11R0.82 CCCCC(C)SCC(C)(C)C 62a_200011215066_100011219605 [0,2,0,0,0,0|2,0,0]=4 16880 B11R0.82 CCCCC(C)SCC(C)(C)F 62a_100011997219_200011215066 [0,2,0,0,0,0|2,0,0]=4 16881 B11R0.82 CCCCC(C)SCC(C)(C)F 62a_200011215066_100011997219 [0,2,0,0,0,0|2,0,0]=4 16882 B11R0.82 CCCCC(C)SCC(C)(C)O 62a_100000764493_200011215066 [0,2,0,0,0,0|1,0,0]=3 16883 B11R0.82 CCCCC(C)SCC(C)(C)O 62a_200011215066_100000764493 [0,2,0,0,0,0|1,0,0]=3 16884 B11R0.82 CCCCN(C)CCC(C)(C)C 2230a_100000207549_100000755188 [0,2,0,0,0,0|2,0,0]=4 16885 B11R0.82 CCCCN(C)CCC(C)(C)C 269982a_100000207549_100000755188 [0,2,0,0,0,0|2,0,0]=4 16886 B11R0.82 CCCCN(C)CCC(C)(C)O 2230a_100000207549_100000702414 [0,2,0,0,0,0|1,0,0]=3 16887 B11R0.82 CCCC[C@H](N)COC(C)(C)C 34a_100011934283_100000210625 [0,2,0,0,0,0|2,0,0]=4 16888 B11R0.82 CCOCC(C)OCC(C)(C)O 34a_100000718985_100000764493 [0,2,0,0,0,0|2,0,0]=4 16889 B11R0.82 CCOCC(C)OCC(C)(C)O 7a_100000718985_100000764493 [0,2,0,0,0,0|2,0,0]=4 16890 B11R0.82 CCSCC(C)NCC(C)(C)O 270004a_100000751335_200011216171 [0,2,0,0,0,0|2,0,0]=4 16891 B11R0.82 CN(CCCO)CCC(C)(C)O 2230a_100000213112_100000702414 [0,2,0,0,0,0|2,0,0]=4 16892 B11R0.82 COCCC(C)NCC(C)(C)O 270004a_100000751335_100000742357 [0,2,0,0,0,0|2,0,0]=4 16893 B11R0.82 COCCN(C)CCC(C)(C)O 2230a_100000743101_100000702414 [0,2,0,0,0,0|2,0,0]=4 16894 B11R0.82 CSCCC(C)NCC(C)(C)O 270004a_100000751335_100011217047 [0,2,0,0,0,0|2,0,0]=4 16895 B11R0.82 CSCCN(C)CCC(C)(C)O 2230a_100000686725_100000702414 [0,2,0,0,0,0|2,0,0]=4 16896 B11R0.114 CC(C)(O)CCNC[C@@H](F)CO 34a_100015665980_100000702414 [0,2,0,0,0,0|2,0,0]=4 16897 B11R0.114 CC(C)(O)CCNC[C@H](O)CO 2230a_100020644852_100000702414 [0,2,0,0,0,0|2,0,0]=4 16898 B11R0.114 CC(C)(O)CCOCC(Cl)CCl 34a_100000033668_100000702414 [0,2,0,0,0,0|2,0,0]=4 16899 B11R0.114 CC(C)(O)CCOC[C@H](F)CN 34a_100015665980_100000702414 [0,2,0,0,0,0|2,0,0]=4 16900 B11R0.114 CC(C)(O)CCSCC(O)CO 62a_100000702414_100011219619 [0,2,0,0,0,0|2,0,0]=4 16901 B11R0.114 CC(C)(O)CCSCC(O)CO 62a_100011219619_100000702414 [0,2,0,0,0,0|2,0,0]=4 16902 B11R0.114 CC(C)(O)CCSC[C@@H](O)CF 62a_100000702414_100015614560 [0,2,0,0,0,0|2,0,0]=4 16903 B11R0.114 CC(C)(O)CCSC[C@@H](O)CF 62a_100015614560_100000702414 [0,2,0,0,0,0|2,0,0]=4 16904 B11R0.114 CC(C)(O)CCSC[C@@H](O)CO 62a_100000702414_100009815848 [0,2,0,0,0,0|2,0,0]=4 16905 B11R0.114 CC(C)(O)CCSC[C@@H](O)CO 62a_100009815848_100000702414 [0,2,0,0,0,0|2,0,0]=4 16906 B11R0.114 CC(CF)OCCCC(C)(C)O 34a_100016041109_100009888830 [0,2,0,0,0,0|2,0,0]=4 16907 B11R0.114 CC(CF)OCCCC(C)(C)O 7a_100016041109_100009888830 [0,2,0,0,0,0|2,0,0]=4 16908 B11R0.114 CC(CN)COCCC(C)(C)O 34a_100000744482_100000702414 [0,2,0,0,0,0|2,0,0]=4 16909 B11R0.114 CC(CN)OCCCC(C)(C)O 34a_100000210904_100009888830 [0,2,0,0,0,0|2,0,0]=4 16910 B11R0.114 CC(CO)CCNCC(C)(C)O 34a_106354213184_100000764493 [0,2,0,0,0,0|2,0,0]=4 16911 B11R0.114 CC(CO)CNCCC(C)(C)O 34a_100000744482_100000702414 [0,2,0,0,0,0|2,0,0]=4 16912 B11R0.114 CC(CO)SCCCC(C)(C)O 62a_100012180447_100009888830 [0,2,0,0,0,0|2,0,0]=4 16913 B11R0.114 CCC(=O)COCCC(C)(C)O 34a_100000725409_100000702414 [0,2,0,0,0,0|1,0,1]=4 16914 B11R0.114 CCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747405 [0,2,0,0,0,0|1,0,1]=4 16915 B11R0.114 CCC(=O)CSCCC(C)(C)O 62a_100000747405_100000702414 [0,2,0,0,0,0|1,0,1]=4 16916 B11R0.114 CCC(C)CCNCC(C)(C)C 270004a_100020591266_100011204126 [0,2,0,0,0,0|2,0,0]=4 16917 B11R0.114 CCC(C)CCOCC(C)(C)O 7a_100011215188_100000764493 [0,2,0,0,0,0|1,0,0]=3 16918 B11R0.114 CCC(C)CNCCC(C)(C)C 2230a_100000738805_100000748023 [0,2,0,0,0,0|2,0,0]=4 16919 B11R0.114 CCC(C)CNCCC(C)(C)C 2230a_100020588543_100000755188 [0,2,0,0,0,0|2,0,0]=4 16920 B11R0.114 CCC(C)CNCCC(C)(C)C 270004a_100000738805_100000243153 [0,2,0,0,0,0|2,0,0]=4 16921 B11R0.114 CCC(C)CNCCC(C)(C)F 2230a_100016253952_100000748023 [0,2,0,0,0,0|2,0,0]=4 16922 B11R0.114 CCC(C)CNCCC(C)(C)F 270004a_100016253952_100000243153 [0,2,0,0,0,0|2,0,0]=4 16923 B11R0.114 CCC(C)CNCCC(C)(C)O 2230a_100020588543_100000702414 [0,2,0,0,0,0|1,0,0]=3 16924 B11R0.114 CCC(C)CNCCC(C)(C)O 270004a_100000707701_100000243153 [0,2,0,0,0,0|1,0,0]=3 16925 B11R0.114 CCC(C)COCCC(C)(C)C 7a_100000765024_100000748023 [0,2,0,0,0,0|2,0,0]=4 16926 B11R0.114 CCC(C)CSCCC(C)(C)C 62a_100000748023_100000755188 [0,2,0,0,0,0|2,0,0]=4 16927 B11R0.114 CCC(C)CSCCC(C)(C)C 62a_100000755188_100000748023 [0,2,0,0,0,0|2,0,0]=4 16928 B11R0.114 CCC(C)CSCCC(C)(C)O 62a_100000702414_100000748023 [0,2,0,0,0,0|1,0,0]=3 16929 B11R0.114 CCC(C)CSCCC(C)(C)O 62a_100000748023_100000702414 [0,2,0,0,0,0|1,0,0]=3 16930 B11R0.114 CCC(C)NCCCC(C)(C)O 2230a_100000209981_100009888830 [0,2,0,0,0,0|1,0,0]=3 16931 B11R0.114 CCC(C)OCCCC(C)(C)O 7a_100000210228_100009888830 [0,2,0,0,0,0|1,0,0]=3 16932 B11R0.114 CCC(C)SCCCC(C)(C)O 62a_100000758301_100009888830 [0,2,0,0,0,0|1,0,0]=3 16933 B11R0.114 CCC(C)SCCCC(C)(C)O 62a_100009888830_100000758301 [0,2,0,0,0,0|1,0,0]=3 16934 B11R0.114 CCC(O)CNCCC(C)(C)C 2230a_100000738805_100011218378 [0,2,0,0,0,0|2,0,0]=4 16935 B11R0.114 CCC(O)CNCCC(C)(C)C 2230a_100011218483_100000755188 [0,2,0,0,0,0|2,0,0]=4 16936 B11R0.114 CCC(O)CNCCC(C)(C)F 2230a_100016253952_100011218378 [0,2,0,0,0,0|2,0,0]=4 16937 B11R0.114 CCC(O)CNCCC(C)(C)O 2230a_100011218483_100000702414 [0,2,0,0,0,0|1,0,0]=3 16938 B11R0.114 CCC(O)COCCC(C)(C)C 7a_100000765024_100011218378 [0,2,0,0,0,0|2,0,0]=4 16939 B11R0.114 CCC(O)CSCCC(C)(C)C 62a_100000755188_100011218378 [0,2,0,0,0,0|2,0,0]=4 16940 B11R0.114 CCC(O)CSCCC(C)(C)C 62a_100011218378_100000755188 [0,2,0,0,0,0|2,0,0]=4 16941 B11R0.114 CCC(O)CSCCC(C)(C)O 62a_100000702414_100011218378 [0,2,0,0,0,0|1,0,0]=3 16942 B11R0.114 CCC(O)CSCCC(C)(C)O 62a_100011218378_100000702414 [0,2,0,0,0,0|1,0,0]=3 16943 B11R0.114 CC[C@H](C)CNCCC(C)(C)C 2230a_100000738805_100009816398 [0,2,0,0,0,0|2,0,0]=4 16944 B11R0.114 CC[C@H](C)CNCCC(C)(C)F 2230a_100016253952_100009816398 [0,2,0,0,0,0|2,0,0]=4 16945 B11R0.114 CC[C@H](C)COCCC(C)(C)C 7a_100000765024_100009816398 [0,2,0,0,0,0|2,0,0]=4 16946 B11R0.114 CC[C@H](C)COCCC(C)(C)C 7a_100009816381_100000755188 [0,2,0,0,0,0|2,0,0]=4 16947 B11R0.114 CC[C@H](C)COCCC(C)(C)O 7a_100009816381_100000702414 [0,2,0,0,0,0|1,0,0]=3 16948 B11R0.114 CC[C@H](C)CSCCC(C)(C)C 62a_100000755188_100009816398 [0,2,0,0,0,0|2,0,0]=4 16949 B11R0.114 CC[C@H](C)CSCCC(C)(C)C 62a_100009816398_100000755188 [0,2,0,0,0,0|2,0,0]=4 16950 B11R0.114 CC[C@H](C)CSCCC(C)(C)O 62a_100000702414_100009816398 [0,2,0,0,0,0|1,0,0]=3 16951 B11R0.114 CC[C@H](C)CSCCC(C)(C)O 62a_100009816398_100000702414 [0,2,0,0,0,0|1,0,0]=3 16952 B11R0.114 COC(C)CCOCC(C)(C)O 7a_100000764861_100000764493 [0,2,0,0,0,0|2,0,0]=4 16953 B11R0.114 COC(C)COCCC(C)(C)O 34a_100000690652_100000702414 [0,2,0,0,0,0|2,0,0]=4 16954 B11R0.114 COC(C)SCCCC(C)(C)O 62a_100009879195_100009888830 [0,2,0,0,0,0|2,0,0]=4 16955 B11R0.114 COC(C)SCCCC(C)(C)O 62a_100009888830_100009879195 [0,2,0,0,0,0|2,0,0]=4 16956 B11R0.114 CO[C@H](C)CNCCC(C)(C)O 2230a_100020591295_100000702414 [0,2,0,0,0,0|2,0,0]=4 16957 B11R0.114 C[C@@H](CO)CSCCC(C)(C)O 62a_100000059175_100000702414 [0,2,0,0,0,0|2,0,0]=4 16958 B11R0.114 C[C@@H](CO)CSCCC(C)(C)O 62a_100000702414_100000059175 [0,2,0,0,0,0|2,0,0]=4 16959 B11R0.114 C[C@H](CO)NCCCC(C)(C)O 2230a_100000737577_100009888830 [0,2,0,0,0,0|2,0,0]=4 16960 B11R0.114 C[C@H](CO)SCCCC(C)(C)O 62a_100009888830_100016084084 [0,2,0,0,0,0|2,0,0]=4 16961 B11R0.114 C[C@H](CO)SCCCC(C)(C)O 62a_100016084084_100009888830 [0,2,0,0,0,0|2,0,0]=4 16962 B11R0.151 CC(C)(O)C(=O)CCCCCF 1458a_100000242741_100000729378 [0,2,0,0,0,0|1,0,1]=4 16963 B11R0.151 CC(C)(O)C(=O)CCCCCO 1458a_100000242741_100000746330 [0,2,0,0,0,0|1,0,1]=4 16964 B11R0.151 CC(NCCCCO)C(C)(C)O 269862a_100000750430_100000747739 [0,2,0,0,0,0|2,0,0]=4 16965 B11R0.151 CCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210757 [0,2,0,0,0,0|1,0,1]=4 16966 B11R0.151 CCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210757 [0,2,0,0,0,0|1,0,1]=4 16967 B11R0.151 CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210757 [0,2,0,0,0,0|0,0,1]=3 16968 B11R0.151 CCCCCCN(C)C(C)(C)C 269982a_100011215553_100000210757 [0,2,0,0,0,0|2,0,0]=4 16969 B11R0.151 CCCCCCN(C)C(C)(C)C 269982a_106256046315_100000210625 [0,2,0,0,0,0|2,0,0]=4 16970 B11R0.151 CCCCCNC(=O)C(C)(C)O 240690a_100000209983_100000242741 [0,2,0,0,0,0|1,0,1]=4 16971 B11R0.151 CCCCCNC(C)C(C)(C)O 269862a_100000209983_100000747739 [0,2,0,0,0,0|1,0,0]=3 16972 B11R0.151 CCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210326 [0,2,0,0,0,0|1,0,0]=3 16973 B11R0.151 CCCCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210326 [0,2,0,0,0,0|2,0,0]=4 16974 B11R0.151 CCCCOCC(=O)C(C)(C)O 1458a_100000242741_100011995733 [0,2,0,0,0,0|1,0,1]=4 16975 B11R0.151 CCCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215938 [0,2,0,0,0,0|1,0,1]=4 16976 B11R0.151 CCOCCCC(=O)C(C)(C)O 1458a_100000242741_100012232248 [0,2,0,0,0,0|1,0,1]=4 16977 B11R0.151 CCOCCNC(C)C(C)(C)O 269862a_100011200944_100000747739 [0,2,0,0,0,0|2,0,0]=4 16978 B11R0.151 CCOCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011215890 [0,2,0,0,0,0|2,0,0]=4 16979 B11R0.151 CCSCCNC(C)C(C)(C)O 269862a_100000106463_100000747739 [0,2,0,0,0,0|2,0,0]=4 16980 B11R0.151 CCSCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000757381 [0,2,0,0,0,0|2,0,0]=4 16981 B11R0.151 COCCCCC(=O)C(C)(C)O 1458a_100000242741_100000755781 [0,2,0,0,0,0|1,0,1]=4 16982 B11R0.151 COCCCNC(C)C(C)(C)O 269862a_100150723488_100000747739 [0,2,0,0,0,0|2,0,0]=4 16983 B11R0.151 COCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000740836 [0,2,0,0,0,0|2,0,0]=4 16984 B11R0.151 CSCCCNC(C)C(C)(C)O 269862a_100000749238_100000747739 [0,2,0,0,0,0|2,0,0]=4 16985 B11R0.151 C[C@H](NCCCCF)C(C)(C)O 2230a_100025708725_100000729493 [0,2,0,0,0,0|2,0,0]=4 16986 B11R0.151 C[C@H](NCCCCO)C(C)(C)O 2230a_100025708725_100000210776 [0,2,0,0,0,0|2,0,0]=4 16987 B11R0.22 C#CC(CC)OCCCC(C)C 34a_100000758843_100011214892 [0,2,0,0,0,0|2,0,0]=4 16988 B11R0.22 C#CC(CC)OCCCC(C)C 7a_100000758843_100011214892 [0,2,0,0,0,0|2,0,0]=4 16989 B11R0.22 C#CC(CC)OCCCC(C)O 34a_100000758843_200000718107 [0,2,0,0,0,0|1,0,0]=3 16990 B11R0.22 C#CC(CC)OCCCC(C)O 7a_100000758843_200000718107 [0,2,0,0,0,0|1,0,0]=3 16991 B11R0.22 C=CC(CC)OCCCC(C)C 34a_100000766422_100011214892 [0,2,0,0,0,0|2,0,0]=4 16992 B11R0.22 C=CC(CC)OCCCC(C)C 7a_100000766422_100011214892 [0,2,0,0,0,0|2,0,0]=4 16993 B11R0.22 C=CC(CC)OCCCC(C)O 34a_100000766422_200000718107 [0,2,0,0,0,0|1,0,0]=3 16994 B11R0.22 C=CC(CC)OCCCC(C)O 7a_100000766422_200000718107 [0,2,0,0,0,0|1,0,0]=3 16995 B11R0.22 C=C[C@@H](CO)NCCCC(C)O 2230a_100016989147_200000718107 [0,2,0,0,0,0|2,0,0]=4 16996 B11R0.22 C=C[C@@H](CO)NCCCC(C)O 34a_100016989147_200000718107 [0,2,0,0,0,0|2,0,0]=4 16997 B11R0.22 CC(O)CCCNC(CO)CO 2230a_100000759517_200000718107 [0,2,0,0,0,0|2,0,0]=4 16998 B11R0.22 CC(O)CCCOC(CCl)CCl 7a_100000737055_200000718107 [0,2,0,0,0,0|2,0,0]=4 16999 B11R0.22 CC(O)CCCOC(CF)CF 34a_100000032261_200000718107 [0,2,0,0,0,0|2,0,0]=4 17000 B11R0.22 CC(O)CCCOC(CF)CF 7a_100000032261_200000718107 [0,2,0,0,0,0|2,0,0]=4 17001 B11R0.22 CC(O)CCCOC(CN)CN 34a_100000031598_200000718107 [0,2,0,0,0,0|2,0,0]=4 17002 B11R0.22 CC(O)CCCO[C@@H](CF)CCl 34a_100015614560_200000718107 [0,2,0,0,0,0|2,0,0]=4 17003 B11R0.22 CC(O)CCCO[C@@H](CF)CCl 7a_100015614560_200000718107 [0,2,0,0,0,0|2,0,0]=4 17004 B11R0.22 CCC(CC)CNCCC(C)C 2230a_100102946423_100000210312 [0,2,0,0,0,0|2,0,0]=4 17005 B11R0.22 CCC(CC)CNCCC(C)C 269862a_100000210545_100000211137 [0,2,0,0,0,0|2,0,0]=4 17006 B11R0.22 CCC(CC)CNCCC(C)C 269862a_100102946423_100000185833 [0,2,0,0,0,0|2,0,0]=4 17007 B11R0.22 CCC(CC)CNCCC(C)C 270004a_100000210545_100000211137 [0,2,0,0,0,0|2,0,0]=4 17008 B11R0.22 CCC(CC)CNCCC(C)O 2230a_100102946423_100012276601 [0,2,0,0,0,0|1,0,0]=3 17009 B11R0.22 CCC(CC)CNCCC(C)O 2230a_200000755665_100011215472 [0,2,0,0,0,0|1,0,0]=3 17010 B11R0.22 CCC(CC)CNCCC(C)O 269862a_200000755665_100000211137 [0,2,0,0,0,0|1,0,0]=3 17011 B11R0.22 CCC(CC)CNCCC(C)O 270004a_200000755665_100000211137 [0,2,0,0,0,0|1,0,0]=3 17012 B11R0.22 CCC(CC)COCCC(C)Br 34a_100009893172_100011215472 [0,2,0,0,0,0|2,0,0]=4 17013 B11R0.22 CCC(CC)COCCC(C)C 34a_100000210254_100011215472 [0,2,0,0,0,0|2,0,0]=4 17014 B11R0.22 CCC(CC)COCCC(C)C 7a_100000210254_100011215472 [0,2,0,0,0,0|2,0,0]=4 17015 B11R0.22 CCC(CC)COCCC(C)C 7a_100000703878_100000210626 [0,2,0,0,0,0|2,0,0]=4 17016 B11R0.22 CCC(CC)COCCC(C)O 7a_100000703878_100012276601 [0,2,0,0,0,0|1,0,0]=3 17017 B11R0.22 CCC(CC)COCC[C@@H](C)N 34a_100000706166_100011215472 [0,2,0,0,0,0|2,0,0]=4 17018 B11R0.22 CCC(CC)CSCCC(C)C 62a_100000210312_100011215472 [0,2,0,0,0,0|2,0,0]=4 17019 B11R0.22 CCC(CC)CSCCC(C)C 62a_100011215472_100000210312 [0,2,0,0,0,0|2,0,0]=4 17020 B11R0.22 CCC(CC)CSCCC(C)O 62a_100011215472_100012276601 [0,2,0,0,0,0|1,0,0]=3 17021 B11R0.22 CCC(CC)CSCCC(C)O 62a_100012276601_100011215472 [0,2,0,0,0,0|1,0,0]=3 17022 B11R0.22 CCC(CC)NCCCC(C)C 2230a_100000199018_100011214892 [0,2,0,0,0,0|2,0,0]=4 17023 B11R0.22 CCC(CC)NCCCC(C)C 270004a_200000737386_100000210860 [0,2,0,0,0,0|2,0,0]=4 17024 B11R0.22 CCC(CC)NCCCC(C)O 2230a_100000199018_200000718107 [0,2,0,0,0,0|1,0,0]=3 17025 B11R0.22 CCC(CC)OCCCC(C)C 7a_100000210774_100000210505 [0,2,0,0,0,0|2,0,0]=4 17026 B11R0.22 CCC(CC)OCCCC(C)C 7a_100000688536_100011214892 [0,2,0,0,0,0|2,0,0]=4 17027 B11R0.22 CCC(CC)OCCCC(C)O 7a_100000688536_200000718107 [0,2,0,0,0,0|1,0,0]=3 17028 B11R0.22 CCC(CC)SCCCC(C)C 62a_100000210505_100011214892 [0,2,0,0,0,0|2,0,0]=4 17029 B11R0.22 CCC(CC)SCCCC(C)C 62a_100011214892_100000210505 [0,2,0,0,0,0|2,0,0]=4 17030 B11R0.22 CCC(CC)SCCCC(C)O 62a_100000210505_200000718107 [0,2,0,0,0,0|1,0,0]=3 17031 B11R0.22 CCC(CC)SCCCC(C)O 62a_200000718107_100000210505 [0,2,0,0,0,0|1,0,0]=3 17032 B11R0.22 CCC(CNCCC(C)C)OC 269862a_100000731041_100000185833 [0,2,0,0,0,0|2,0,0]=4 17033 B11R0.22 CCC(COCCC(C)C)OC 34a_100011934954_100000210312 [0,2,0,0,0,0|2,0,0]=4 17034 B11R0.22 CCC(COCCC(C)C)OC 7a_100011934954_100000210626 [0,2,0,0,0,0|2,0,0]=4 17035 B11R0.22 CCC(COCCC(C)O)OC 34a_100011934954_100012276601 [0,2,0,0,0,0|1,0,0]=3 17036 B11R0.22 CCC(COCCC(C)O)OC 7a_100011934954_100012276601 [0,2,0,0,0,0|1,0,0]=3 17037 B11R0.22 CCN(CC)CCCCC(C)C 2230a_100000724800_100011216152 [0,2,0,0,0,0|2,0,0]=4 17038 B11R0.22 CCN(CC)CCCCC(C)C 269956a_100000042499_100011216152 [0,2,0,0,0,0|2,0,0]=4 17039 B11R0.22 CCN(CC)CCCCC(C)C 269982a_100000724800_100011216152 [0,2,0,0,0,0|2,0,0]=4 17040 B11R0.22 CCN(CC)CCNCC(C)O 2230a_100000210904_100000700428 [0,2,0,0,0,0|2,0,0]=4 17041 B11R0.22 CCN(CC)CCNCC(C)O 2230a_100015382049_100011218427 [0,2,0,0,0,0|2,0,0]=4 17042 B11R0.22 CCN(CC)CCNC[C@@H](C)O 2230a_100015382049_100009817552 [0,2,0,0,0,0|2,0,0]=4 17043 B11R0.22 CCN(CC)CCOCC(C)O 7a_100016990331_100011218427 [0,2,0,0,0,0|2,0,0]=4 17044 B11R0.22 CCN(CC)CCOC[C@@H](C)O 7a_100016990331_100009817552 [0,2,0,0,0,0|2,0,0]=4 17045 B11R0.22 CCN(CC)CCSCC(C)O 62a_100011218427_100000700428 [0,2,0,0,0,0|2,0,0]=4 17046 B11R0.22 CCN(CC)CCSC[C@@H](C)O 62a_100009817552_100000700428 [0,2,0,0,0,0|2,0,0]=4 17047 B11R0.22 CCN(CC)COCCC(C)O 7a_200015374951_100012276601 [0,2,0,0,0,0|2,0,0]=4 17048 B11R0.22 CC[C@@H](CO)NCCCC(C)C 2230a_100000709445_100011214892 [0,2,0,0,0,0|2,0,0]=4 17049 B11R0.22 CC[C@@H](CO)NCCCC(C)O 2230a_100000709445_200000718107 [0,2,0,0,0,0|1,0,0]=3 17050 B11R0.22 COC(CCNCC(C)O)OC 2230a_100000210904_100009813347 [0,2,0,0,0,0|2,0,0]=4 17051 B11R0.22 COC(CCNCC(C)O)OC 34a_100000210904_100000139399 [0,2,0,0,0,0|2,0,0]=4 17052 B11R0.22 COC(CCSCC(C)O)OC 62a_100000139399_100011218427 [0,2,0,0,0,0|2,0,0]=4 17053 B11R0.22 COC(CCSCC(C)O)OC 62a_100011218427_100000139399 [0,2,0,0,0,0|2,0,0]=4 17054 B11R0.22 COC(CCSC[C@@H](C)O)OC 62a_100000139399_100009817552 [0,2,0,0,0,0|2,0,0]=4 17055 B11R0.22 COC(CCSC[C@@H](C)O)OC 62a_100009817552_100000139399 [0,2,0,0,0,0|2,0,0]=4 17056 B11R0.22 COC(CNCCC(C)O)OC 2230a_200000755665_100000751394 [0,2,0,0,0,0|2,0,0]=4 17057 B11R0.22 COC(CNCCC(C)O)OC 270004a_200000755665_100000752162 [0,2,0,0,0,0|2,0,0]=4 17058 B11R0.22 COC(COCCC(C)O)OC 34a_100011216393_100012276601 [0,2,0,0,0,0|2,0,0]=4 17059 B11R0.22 COC(CSCCC(C)O)OC 62a_100000751394_100012276601 [0,2,0,0,0,0|2,0,0]=4 17060 B11R0.22 COC(CSCCC(C)O)OC 62a_100012276601_100000751394 [0,2,0,0,0,0|2,0,0]=4 17061 B11R0.29 CC(=O)C(C)COCCC(C)O 34a_100000032740_100012276601 [0,2,0,0,0,0|1,0,1]=4 17062 B11R0.29 CC(=O)C(C)COCCC(C)O 7a_100000032740_100012276601 [0,2,0,0,0,0|1,0,1]=4 17063 B11R0.29 CC(=O)C(C)OCCCC(C)O 34a_100000212229_200000718107 [0,2,0,0,0,0|1,0,1]=4 17064 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_100009814033_200000718107 [0,2,0,0,0,0|1,0,1]=4 17065 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_200000718107_100009814033 [0,2,0,0,0,0|1,0,1]=4 17066 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,2,0,0,0,0|0,0,2]=4 17067 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,2,0,0,0,0|0,0,2]=4 17068 B11R0.29 CC(C)C(N)CCOC[C@@H](C)O 34a_100161115045_100009817552 [0,2,0,0,0,0|1,0,0]=3 17069 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100000210198_100011216152 [0,2,0,0,0,0|1,0,1]=4 17070 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100011933920_100000210206 [0,2,0,0,0,0|1,0,1]=4 17071 B11R0.29 CC(C)CCCCC(=O)C(C)F 1458a_100000062450_100011216152 [0,2,0,0,0,0|1,0,1]=4 17072 B11R0.29 CC(C)CCCCC(=O)C(O)O 1458a_100000233687_100011216152 [0,2,0,0,0,0|1,0,1]=4 17073 B11R0.29 CC(C)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216152 [0,2,0,0,0,0|0,0,1]=3 17074 B11R0.29 CC(C)CCCCC(=O)[C@H](C)O 1458a_217856618621_100011216152 [0,2,0,0,0,0|0,0,1]=3 17075 B11R0.29 CC(C)CCCCN(C)C(C)C 269982a_200000211004_100011216152 [0,2,0,0,0,0|2,0,0]=4 17076 B11R0.29 CC(C)CCCNC(=O)[C@@H](C)O 240690a_200000737386_100000717761 [0,2,0,0,0,0|1,0,1]=4 17077 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 1626a_200000737386_217856618621 [0,2,0,0,0,0|1,0,1]=4 17078 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 240690a_200000737386_217856618621 [0,2,0,0,0,0|1,0,1]=4 17079 B11R0.29 CC(C)CCCNC(C)C(C)C 2230a_100000211541_100011214892 [0,2,0,0,0,0|2,0,0]=4 17080 B11R0.29 CC(C)CCCOC(C)C(C)C 7a_100000748068_100011214892 [0,2,0,0,0,0|2,0,0]=4 17081 B11R0.29 CC(C)CCNCC(O)C(C)C 2230a_100000759067_100000210312 [0,2,0,0,0,0|2,0,0]=4 17082 B11R0.29 CC(C)CCNCC(O)C(C)C 269862a_100000759067_100000185833 [0,2,0,0,0,0|2,0,0]=4 17083 B11R0.29 CC(C)CCNCC(O)C(C)C 34a_100000759067_100000210312 [0,2,0,0,0,0|2,0,0]=4 17084 B11R0.29 CC(C)CCOC[C@H](N)C(C)C 34a_100011830312_100000210312 [0,2,0,0,0,0|2,0,0]=4 17085 B11R0.29 CC(C)COCCC(N)C(C)C 34a_100161115045_100000210624 [0,2,0,0,0,0|2,0,0]=4 17086 B11R0.29 CC(O)CCCNC(C)C(C)C 2230a_100000211541_200000718107 [0,2,0,0,0,0|1,0,0]=3 17087 B11R0.29 CC(O)CCCOC(C)C(C)C 7a_100000748068_200000718107 [0,2,0,0,0,0|1,0,0]=3 17088 B11R0.29 CC(O)CCNCC(=O)C(C)C 2230a_200000755665_100000753385 [0,2,0,0,0,0|1,0,1]=4 17089 B11R0.29 CC(O)CCNCC(O)C(C)C 2230a_100000759067_100012276601 [0,2,0,0,0,0|1,0,0]=3 17090 B11R0.29 CC(O)CCNCC(O)C(C)C 34a_100000759067_100012276601 [0,2,0,0,0,0|1,0,0]=3 17091 B11R0.29 CC(O)CCOC[C@H](N)C(C)C 34a_100011830312_100012276601 [0,2,0,0,0,0|1,0,0]=3 17092 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100000753385_100012276601 [0,2,0,0,0,0|1,0,1]=4 17093 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100012276601_100000753385 [0,2,0,0,0,0|1,0,1]=4 17094 B11R0.29 CC(O)COCCC(N)C(C)C 34a_100161115045_100011218427 [0,2,0,0,0,0|1,0,0]=3 17095 B11R0.93 CC(O)CCN(C)CC(O)CO 2230a_100011216503_100012276601 [0,2,0,0,0,0|2,0,0]=4 17096 B11R0.93 CC(O)CCN(C)CC(O)CO 269982a_100011216503_100012276601 [0,2,0,0,0,0|2,0,0]=4 17097 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,2,0,0,0,0|1,0,1]=4 17098 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,2,0,0,0,0|1,0,1]=4 17099 B11R0.93 CCC(C)CC(=O)CCC(C)O 1458a_100000708755_100012276601 [0,2,0,0,0,0|0,0,1]=3 17100 B11R0.93 CCC(C)CC(=O)NCC(C)O 11a_100000210904_100000708755 [0,2,0,0,0,0|1,0,1]=4 17101 B11R0.93 CCC(C)CC(=O)NCC(C)O 240690a_100000210904_100000708755 [0,2,0,0,0,0|1,0,1]=4 17102 B11R0.93 CCC(C)CC(=O)NCC(C)O 527a_100000210904_100000708755 [0,2,0,0,0,0|1,0,1]=4 17103 B11R0.93 CCC(C)CC(C)NCC(C)C 2230a_100000763565_100000210760 [0,2,0,0,0,0|2,0,0]=4 17104 B11R0.93 CCC(C)CC(C)NCC(C)C 270004a_100000210953_100011710205 [0,2,0,0,0,0|2,0,0]=4 17105 B11R0.93 CCC(C)CC(C)NCC(C)C 270004a_100000763565_100000210432 [0,2,0,0,0,0|2,0,0]=4 17106 B11R0.93 CCC(C)CC(C)NCC(C)O 2230a_100000763565_100011218427 [0,2,0,0,0,0|1,0,0]=3 17107 B11R0.93 CCC(C)CC(C)NCC(C)O 270004a_100000210904_100011710205 [0,2,0,0,0,0|1,0,0]=3 17108 B11R0.93 CCC(C)CC(C)NC[C@@H](C)O 2230a_100000763565_100009817552 [0,2,0,0,0,0|1,0,0]=3 17109 B11R0.93 CCC(C)CN(C)CCC(C)C 2230a_100000742789_100000748023 [0,2,0,0,0,0|2,0,0]=4 17110 B11R0.93 CCC(C)CN(C)CCC(C)C 2230a_100000753921_100000210312 [0,2,0,0,0,0|2,0,0]=4 17111 B11R0.93 CCC(C)CN(C)CCC(C)C 269982a_100000742789_100000748023 [0,2,0,0,0,0|2,0,0]=4 17112 B11R0.93 CCC(C)CN(C)CCC(C)C 269982a_100000753921_100000210312 [0,2,0,0,0,0|2,0,0]=4 17113 B11R0.93 CCC(C)CN(C)CCC(C)C 270004a_100000742789_100000243153 [0,2,0,0,0,0|2,0,0]=4 17114 B11R0.93 CCC(C)CN(C)CCC(C)O 2230a_100000753921_100012276601 [0,2,0,0,0,0|1,0,0]=3 17115 B11R0.93 CCC(C)CN(C)CCC(C)O 269982a_100000753921_100012276601 [0,2,0,0,0,0|1,0,0]=3 17116 B11R0.93 CCC(C)NC(=O)CCC(C)O 1626a_100000209981_100000718519 [0,2,0,0,0,0|1,0,1]=4 17117 B11R0.93 CCC(C)NC(C)CCC(C)C 2230a_100000209981_100011261404 [0,2,0,0,0,0|2,0,0]=4 17118 B11R0.93 CCC(C)NC(C)CCC(C)C 2230a_100138410893_100000758301 [0,2,0,0,0,0|2,0,0]=4 17119 B11R0.93 CCC(C)NC(C)CCC(C)C 270004a_100000209981_100000210476 [0,2,0,0,0,0|2,0,0]=4 17120 B11R0.93 CCC(C)OC(C)CCC(C)C 34a_100011215350_100011215416 [0,2,0,0,0,0|2,0,0]=4 17121 B11R0.93 CCC(C)OC(C)CCC(C)C 7a_100011215350_100000758301 [0,2,0,0,0,0|2,0,0]=4 17122 B11R0.93 CCC(C)SC(C)CCC(C)C 62a_100000758301_100011261404 [0,2,0,0,0,0|2,0,0]=4 17123 B11R0.93 CCC(C)SC(C)CCC(C)C 62a_100011261404_100000758301 [0,2,0,0,0,0|2,0,0]=4 17124 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,2,0,0,0,0|1,0,1]=4 17125 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,2,0,0,0,0|1,0,1]=4 17126 B11R0.93 CCC(O)CC(=O)CCC(C)O 1458a_100011667805_100012276601 [0,2,0,0,0,0|0,0,1]=3 17127 B11R0.93 CCC(O)CC(=O)NCC(C)O 240690a_100000210904_100011667805 [0,2,0,0,0,0|1,0,1]=4 17128 B11R0.93 CCC(O)CN(C)CCC(C)C 2230a_100000742789_100011218378 [0,2,0,0,0,0|2,0,0]=4 17129 B11R0.93 CCC(O)CN(C)CCC(C)C 269982a_100000742789_100011218378 [0,2,0,0,0,0|2,0,0]=4 17130 B11R0.93 CCN(C)CC(=O)CCC(C)O 1458a_100116209913_100012276601 [0,2,0,0,0,0|1,0,1]=4 17131 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,2,0,0,0,0|1,0,1]=4 17132 B11R0.93 CC[C@H](C)CN(C)CCC(C)C 2230a_100000742789_100009816398 [0,2,0,0,0,0|2,0,0]=4 17133 B11R0.93 CC[C@H](C)CN(C)CCC(C)C 269982a_100000742789_100009816398 [0,2,0,0,0,0|2,0,0]=4 17134 B11R0.106 C=CC(O)CNCCC(C)CC 2230a_100020591266_100000730141 [0,2,0,0,0,0|1,0,1]=4 17135 B11R0.106 C=CC(O)COCCC(C)CC 7a_100011215188_100000730141 [0,2,0,0,0,0|1,0,1]=4 17136 B11R0.106 CC(CO)CCNCC(O)CO 2230a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 17137 B11R0.106 CC(CO)CCNCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 17138 B11R0.106 CC(CO)CCNC[C@@H](C)CO 2230a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 17139 B11R0.106 CC(CO)CCNC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 17140 B11R0.106 CC(CO)CCNC[C@@H](O)CF 2230a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 17141 B11R0.106 CC(CO)CCNC[C@@H](O)CF 34a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 17142 B11R0.106 CC(CO)CCNC[C@@H](O)CO 2230a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 17143 B11R0.106 CC(CO)CCNC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 17144 B11R0.106 CC(CO)OCCC[C@@H](C)CN 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 17145 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,2,0,0,0,0|1,0,1]=4 17146 B11R0.106 CCC(C)CCCOC(C)C#N 7a_100011216074_100000703298 [0,2,0,0,0,0|2,0,0]=4 17147 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,2,0,0,0,0|2,0,0]=4 17148 B11R0.106 CCC(C)CCCOC(C)CO 7a_100011216074_100012180447 [0,2,0,0,0,0|1,0,0]=3 17149 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,2,0,0,0,0|2,0,0]=4 17150 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,2,0,0,0,0|2,0,0]=4 17151 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,2,0,0,0,0|1,0,0]=3 17152 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,2,0,0,0,0|1,0,0]=3 17153 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,2,0,0,0,0|2,0,0]=4 17154 B11R0.106 CCC(C)CCNC[C@@H](C)CO 2230a_100020591266_100000059175 [0,2,0,0,0,0|1,0,0]=3 17155 B11R0.106 CCC(C)CCNC[C@@H](O)CF 2230a_100020591266_100015614560 [0,2,0,0,0,0|1,0,0]=3 17156 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,2,0,0,0,0|1,0,0]=3 17157 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,2,0,0,0,0|2,0,0]=4 17158 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,2,0,0,0,0|1,0,0]=3 17159 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,2,0,0,0,0|1,0,0]=3 17160 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,2,0,0,0,0|2,0,0]=4 17161 B11R0.106 CCC(C)CCOC[C@@H](C)CO 7a_100011215188_100000059175 [0,2,0,0,0,0|1,0,0]=3 17162 B11R0.106 CCC(C)CCOC[C@@H](O)CF 7a_100011215188_100015614560 [0,2,0,0,0,0|1,0,0]=3 17163 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,2,0,0,0,0|1,0,0]=3 17164 B11R0.106 CCC(C)CNCCC(C)CO 2230a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 17165 B11R0.106 CCC(C)CNCCC(C)CO 270004a_106354213184_100000243153 [0,2,0,0,0,0|1,0,0]=3 17166 B11R0.106 CCC(C)CNCCC(C)CO 34a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 17167 B11R0.106 CCC(C)COCCC(C)OC 7a_100000764861_100000748023 [0,2,0,0,0,0|1,0,0]=3 17168 B11R0.106 CCC(C)OCCC[C@@H](C)CN 34a_100160569302_100011215416 [0,2,0,0,0,0|2,0,0]=4 17169 B11R0.106 CCC(O)CNCCC(C)CO 2230a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 17170 B11R0.106 CCC(O)CNCCC(C)CO 34a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 17171 B11R0.106 CCC(O)COCCC(C)OC 7a_100000764861_100011218378 [0,2,0,0,0,0|1,0,0]=3 17172 B11R0.106 CCN(C)CCCN[C@H](C)CO 2230a_100000737577_100015186262 [0,2,0,0,0,0|2,0,0]=4 17173 B11R0.106 CCN(C)CCCSC(C)CO 62a_100012180447_100015186262 [0,2,0,0,0,0|2,0,0]=4 17174 B11R0.106 CCN(C)CCCSC(C)OC 62a_100009879195_100015186262 [0,2,0,0,0,0|2,0,0]=4 17175 B11R0.106 CCN(C)CCCS[C@H](C)CO 62a_100016084084_100015186262 [0,2,0,0,0,0|2,0,0]=4 17176 B11R0.106 CC[C@H](C)CNCCC(C)CO 2230a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 17177 B11R0.106 CC[C@H](C)CNCCC(C)CO 34a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 17178 B11R0.106 CC[C@H](C)COCCC(C)OC 7a_100000764861_100009816398 [0,2,0,0,0,0|1,0,0]=3 17179 B11R0.106 COC(C)CCOCC(O)CO 7a_100000764861_100011219619 [0,2,0,0,0,0|2,0,0]=4 17180 B11R0.106 COC(C)CCOC[C@@H](C)CO 7a_100000764861_100000059175 [0,2,0,0,0,0|2,0,0]=4 17181 B11R0.106 COC(C)CCOC[C@@H](O)CF 7a_100000764861_100015614560 [0,2,0,0,0,0|2,0,0]=4 17182 B11R0.106 COC(C)CCOC[C@@H](O)CO 7a_100000764861_100009815848 [0,2,0,0,0,0|2,0,0]=4 17183 B11R0.109 CCC(C)CCNC(=O)[C@@H](C)O 240690a_100020591266_100000717761 [0,2,0,0,0,0|1,0,1]=4 17184 B11R0.109 CCC(C)CCNC(=O)[C@H](C)O 1626a_100020591266_217856618621 [0,2,0,0,0,0|1,0,1]=4 17185 B11R0.109 CCC(C)CCNC(=O)[C@H](C)O 240690a_100020591266_217856618621 [0,2,0,0,0,0|1,0,1]=4 17186 B11R0.109 CCC(C)CNCC(O)C(C)C 2230a_100000759067_100000748023 [0,2,0,0,0,0|2,0,0]=4 17187 B11R0.109 CCC(C)CNCC(O)C(C)C 270004a_100000759067_100000243153 [0,2,0,0,0,0|2,0,0]=4 17188 B11R0.109 CCC(C)CNCC(O)C(C)C 34a_100000759067_100000748023 [0,2,0,0,0,0|2,0,0]=4 17189 B11R0.109 CCC(C)COC[C@H](N)C(C)C 34a_100011830312_100000748023 [0,2,0,0,0,0|2,0,0]=4 17190 B11R0.109 CCC(C)OCCC(N)C(C)C 34a_100161115045_100011215416 [0,2,0,0,0,0|2,0,0]=4 17191 B11R0.109 CCC(O)CNCC(O)C(C)C 2230a_100000759067_100011218378 [0,2,0,0,0,0|2,0,0]=4 17192 B11R0.109 CCC(O)CNCC(O)C(C)C 34a_100000759067_100011218378 [0,2,0,0,0,0|2,0,0]=4 17193 B11R0.109 CCC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218378 [0,2,0,0,0,0|2,0,0]=4 17194 B11R0.109 CCN(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100015186262 [0,2,0,0,0,0|1,0,1]=4 17195 B11R0.109 CCN(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100015186262 [0,2,0,0,0,0|1,0,1]=4 17196 B11R0.109 CC[C@H](C)CNCC(O)C(C)C 2230a_100000759067_100009816398 [0,2,0,0,0,0|2,0,0]=4 17197 B11R0.109 CC[C@H](C)CNCC(O)C(C)C 34a_100000759067_100009816398 [0,2,0,0,0,0|2,0,0]=4 17198 B11R0.109 CC[C@H](C)COC[C@H](N)C(C)C 34a_100011830312_100009816398 [0,2,0,0,0,0|2,0,0]=4 17199 B11R0.127 CC(O)CCCNC(C)(C)CO 2230a_100000210608_200000718107 [0,2,0,0,0,0|2,0,0]=4 17200 B11R0.127 CC(O)CCCOC(C)(C)CCl 7a_100000764493_200000718107 [0,2,0,0,0,0|2,0,0]=4 17201 B11R0.127 CC(O)CCCSC(F)(F)CO 62a_100011217949_200000718107 [0,2,0,0,0,0|2,0,0]=4 17202 B11R0.127 CC(O)CCCSC(F)(F)CO 62a_200000718107_100011217949 [0,2,0,0,0,0|2,0,0]=4 17203 B11R0.127 CC(O)CCNCC(C)(C)CO 2230a_100020635058_100012276601 [0,2,0,0,0,0|2,0,0]=4 17204 B11R0.127 CC(O)CCOCC(C)(C)CCl 7a_100011217199_100012276601 [0,2,0,0,0,0|2,0,0]=4 17205 B11R0.127 CC(O)CCOCC(F)(F)CN 34a_100000703232_100012276601 [0,2,0,0,0,0|2,0,0]=4 17206 B11R0.127 CC(O)CCSCC(C)(C)CO 62a_100009813988_100012276601 [0,2,0,0,0,0|2,0,0]=4 17207 B11R0.127 CC(O)CCSCC(C)(C)CO 62a_100012276601_100009813988 [0,2,0,0,0,0|2,0,0]=4 17208 B11R0.127 CCC(C)(C)COCCC(C)C 7a_100000765029_100000210626 [0,2,0,0,0,0|2,0,0]=4 17209 B11R0.127 CCC(C)(C)COCCC(C)O 7a_100000765029_100012276601 [0,2,0,0,0,0|1,0,0]=3 17210 B11R0.127 CCC(C)(C)NCCCC(C)C 2230a_100000211385_100011214892 [0,2,0,0,0,0|2,0,0]=4 17211 B11R0.127 CCC(C)(C)NCCCC(C)O 2230a_100000211385_200000718107 [0,2,0,0,0,0|1,0,0]=3 17212 B11R0.127 CCC(C)(C)OCCCC(C)C 7a_100000210230_100011214892 [0,2,0,0,0,0|2,0,0]=4 17213 B11R0.127 CCC(C)(C)OCCCC(C)C 7a_100000210774_100000210677 [0,2,0,0,0,0|2,0,0]=4 17214 B11R0.127 CCC(C)(C)OCCCC(C)O 7a_100000210230_200000718107 [0,2,0,0,0,0|1,0,0]=3 17215 B11R0.127 CCC(C)(C)SCCCC(C)C 62a_100000032637_100011214892 [0,2,0,0,0,0|2,0,0]=4 17216 B11R0.127 CCC(C)(C)SCCCC(C)C 62a_100011214892_100000032637 [0,2,0,0,0,0|2,0,0]=4 17217 B11R0.127 CCC(C)(C)SCCCC(C)O 62a_100000032637_200000718107 [0,2,0,0,0,0|1,0,0]=3 17218 B11R0.127 CCC(C)(C)SCCCC(C)O 62a_200000718107_100000032637 [0,2,0,0,0,0|1,0,0]=3 17219 B11R0.127 CCS(=O)(=O)CCNCC(C)O 2230a_100000210904_100000756660 [0,2,0,0,0,0|2,0,0]=4 17220 B11R0.127 CCS(=O)(=O)CCNCC(C)O 2230a_100000751051_100011218427 [0,2,0,0,0,0|2,0,0]=4 17221 B11R0.127 CCS(=O)(=O)CCNCC(C)O 34a_100000210904_100000756660 [0,2,0,0,0,0|2,0,0]=4 17222 B11R0.127 CCS(=O)(=O)CCNCC(C)O 34a_100000751051_100011218427 [0,2,0,0,0,0|2,0,0]=4 17223 B11R0.127 CCS(=O)(=O)CCNC[C@@H](C)O 2230a_100000751051_100009817552 [0,2,0,0,0,0|2,0,0]=4 17224 B11R0.127 CCS(=O)(=O)CCNC[C@@H](C)O 34a_100000751051_100009817552 [0,2,0,0,0,0|2,0,0]=4 17225 B11R0.127 CCS(=O)(=O)CCOCC(C)O 34a_200011216379_100011218427 [0,2,0,0,0,0|2,0,0]=4 17226 B11R0.127 CCS(=O)(=O)CCOCC(C)O 7a_200011216379_100011218427 [0,2,0,0,0,0|2,0,0]=4 17227 B11R0.127 CCS(=O)(=O)CCOC[C@@H](C)O 34a_200011216379_100009817552 [0,2,0,0,0,0|2,0,0]=4 17228 B11R0.127 CCS(=O)(=O)CCOC[C@@H](C)O 7a_200011216379_100009817552 [0,2,0,0,0,0|2,0,0]=4 17229 B11R0.127 CCS(=O)(=O)CCSCC(C)O 62a_100000756660_100011218427 [0,2,0,0,0,0|2,0,0]=4 17230 B11R0.127 CCS(=O)(=O)CCSCC(C)O 62a_100011218427_100000756660 [0,2,0,0,0,0|2,0,0]=4 17231 B11R0.127 CCS(=O)(=O)CCSC[C@@H](C)O 62a_100000756660_100009817552 [0,2,0,0,0,0|2,0,0]=4 17232 B11R0.127 CCS(=O)(=O)CCSC[C@@H](C)O 62a_100009817552_100000756660 [0,2,0,0,0,0|2,0,0]=4 17233 B11R0.127 COC(C)(C)CCOCC(C)O 7a_100000699976_100011218427 [0,2,0,0,0,0|2,0,0]=4 17234 B11R0.127 COC(C)(C)CCOC[C@@H](C)O 7a_100000699976_100009817552 [0,2,0,0,0,0|2,0,0]=4 17235 B11R0.127 COC(C)(C)CNCCC(C)O 2230a_100000763424_100012276601 [0,2,0,0,0,0|2,0,0]=4 17236 B11R0.127 COC(C)(C)CSCCC(C)O 62a_100000701081_100012276601 [0,2,0,0,0,0|2,0,0]=4 17237 B11R0.127 COC(C)(C)CSCCC(C)O 62a_100012276601_100000701081 [0,2,0,0,0,0|2,0,0]=4 17238 B11R0.127 CSC(C)(C)CNCCC(C)O 270004a_200000755665_100009845794 [0,2,0,0,0,0|2,0,0]=4 17239 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,2,0,0,0,0|0,0,2]=4 17240 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,2,0,0,0,0|0,0,2]=4 17241 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,2,0,0,0,0|2,0,0]=4 17242 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,2,0,0,0,0|2,0,0]=4 17243 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,2,0,0,0,0|2,0,0]=4 17244 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,2,0,0,0,0|2,0,0]=4 17245 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,2,0,0,0,0|2,0,0]=4 17246 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,2,0,0,0,0|2,0,0]=4 17247 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|0,0,2]=4 17248 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|0,0,2]=4 17249 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,2,0,0,0,0|2,0,0]=4 17250 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,2,0,0,0,0|2,0,0]=4 17251 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,2,0,0,0,0|2,0,0]=4 17252 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,2,0,0,0,0|2,0,0]=4 17253 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,2,0,0,0,0|2,0,0]=4 17254 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,2,0,0,0,0|2,0,0]=4 17255 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,2,0,0,0,0|2,0,0]=4 17256 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,2,0,0,0,0|2,0,0]=4 17257 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,2,0,0,0,0|2,0,0]=4 17258 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,2,0,0,0,0|0,0,2]=4 17259 B11R0.4 CC#CC(C)OCCCCCC 34a_100011216543_100000210314 [0,2,0,0,0,0|2,0,0]=4 17260 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 17261 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 17262 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,2,0,0,0,0|2,0,0]=4 17263 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,2,0,0,0,0|2,0,0]=4 17264 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 17265 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 17266 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,2,0,0,0,0|2,0,0]=4 17267 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,2,0,0,0,0|2,0,0]=4 17268 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 17269 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,2,0,0,0,0|2,0,0]=4 17270 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,2,0,0,0,0|2,0,0]=4 17271 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 17272 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|2,0,0]=4 17273 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|0,0,2]=4 17274 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,2,0,0,0,0|0,0,2]=4 17275 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,2,0,0,0,0|0,0,2]=4 17276 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|0,0,2]=4 17277 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|0,0,2]=4 17278 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|0,0,2]=4 17279 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,2]=4 17280 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,2]=4 17281 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,2]=4 17282 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|0,0,2]=4 17283 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|0,0,2]=4 17284 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|0,0,2]=4 17285 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|0,0,2]=4 17286 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,2,0,0,0,0|0,0,2]=4 17287 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|1,0,0]=3 17288 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|1,0,0]=3 17289 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|0,0,0]=2 17290 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|0,0,0]=2 17291 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|0,0,0]=2 17292 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,2,0,0,0,0|0,0,0]=2 17293 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,2,0,0,0,0|0,0,0]=2 17294 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,2,0,0,0,0|0,1,0]=3 17295 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,2,0,0,0,0|0,1,0]=3 17296 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,2,0,0,0,0|0,1,0]=3 17297 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,2,0,0,0,0|0,1,0]=3 17298 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,2,0,0,0,0|2,0,0]=4 17299 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,2,0,0,0,0|2,0,0]=4 17300 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,2,0,0,0,0|2,0,0]=4 17301 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,2,0,0,0,0|1,0,1]=4 17302 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,2,0,0,0,0|1,0,1]=4 17303 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,2,0,0,0,0|2,0,0]=4 17304 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,2,0,0,0,0|2,0,0]=4 17305 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,2,0,0,0,0|2,0,0]=4 17306 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,2,0,0,0,0|2,0,0]=4 17307 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,2,0,0,0,0|2,0,0]=4 17308 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,2,0,0,0,0|2,0,0]=4 17309 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|1,0,0]=3 17310 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|1,0,0]=3 17311 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|1,0,0]=3 17312 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|1,0,0]=3 17313 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|1,0,0]=3 17314 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|1,0,0]=3 17315 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,2,0,0,0,0|1,1,0]=4 17316 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,2,0,0,0,0|1,1,0]=4 17317 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,2,0,0,0,0|2,0,0]=4 17318 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,2,0,0,0,0|2,0,0]=4 17319 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,2,0,0,0,0|2,0,0]=4 17320 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,2,0,0,0,0|2,0,0]=4 17321 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|1,0,0]=3 17322 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|1,0,0]=3 17323 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|1,0,0]=3 17324 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,2,0,0,0,0|1,1,0]=4 17325 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,2,0,0,0,0|2,0,0]=4 17326 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|1,0,0]=3 17327 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|1,0,0]=3 17328 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|1,0,0]=3 17329 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,2,0,0,0,0|2,0,0]=4 17330 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,2,0,0,0,0|2,0,0]=4 17331 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,2,0,0,0,0|2,0,0]=4 17332 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,2,0,0,0,0|2,0,0]=4 17333 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,2,0,0,0,0|2,0,0]=4 17334 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,2,0,0,0,0|2,0,0]=4 17335 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|1,0,0]=3 17336 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|1,0,0]=3 17337 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 17338 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 17339 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|1,0,0]=3 17340 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,2,0,0,0,0|2,0,0]=4 17341 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,2,0,0,0,0|2,0,0]=4 17342 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,2,0,0,0,0|2,0,0]=4 17343 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,2,0,0,0,0|2,0,0]=4 17344 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|1,0,0]=3 17345 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|1,0,0]=3 17346 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|1,0,0]=3 17347 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|1,0,0]=3 17348 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,2,0,0,0,0|2,0,0]=4 17349 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,2,0,0,0,0|2,0,0]=4 17350 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|1,0,0]=3 17351 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|1,0,0]=3 17352 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,2,0,0,0,0|1,0,0]=3 17353 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,2,0,0,0,0|2,0,0]=4 17354 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,2,0,0,0,0|2,0,0]=4 17355 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,2,0,0,0,0|2,0,0]=4 17356 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,2,0,0,0,0|2,0,0]=4 17357 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,2,0,0,0,0|2,0,0]=4 17358 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|2,0,0]=4 17359 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|1,0,0]=3 17360 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|1,0,0]=3 17361 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|2,0,0]=4 17362 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,2,0,0,0,0|1,0,0]=3 17363 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,2,0,0,0,0|2,0,0]=4 17364 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,2,0,0,0,0|2,0,0]=4 17365 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|1,0,0]=3 17366 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|1,0,0]=3 17367 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,2,0,0,0,0|1,0,0]=3 17368 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,2,0,0,0,0|1,0,0]=3 17369 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,2,0,0,0,0|2,0,0]=4 17370 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,2,0,0,0,0|2,0,0]=4 17371 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 17372 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 17373 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,2,0,0,0,0|2,0,0]=4 17374 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,2,0,0,0,0|2,0,0]=4 17375 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,2,0,0,0,0|2,0,0]=4 17376 B11R0.4 CCCCOCN[C@H](C)COC 2230a_100000764878_100011995733 [0,2,0,0,0,0|2,0,0]=4 17377 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [0,2,0,0,0,0|2,0,0]=4 17378 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,2,0,0,0,0|2,0,0]=4 17379 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,2,0,0,0,0|2,0,0]=4 17380 B11R0.4 CCCCOCSC(C)COC 62a_100000765312_100011995733 [0,2,0,0,0,0|2,0,0]=4 17381 B11R0.4 CCCCOCSC(C)COC 62a_100011995733_100000765312 [0,2,0,0,0,0|2,0,0]=4 17382 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,2,0,0,0,0|2,0,0]=4 17383 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,2,0,0,0,0|2,0,0]=4 17384 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 17385 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 17386 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 17387 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [0,2,0,0,0,0|2,0,0]=4 17388 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 17389 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 17390 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 17391 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [0,2,0,0,0,0|2,0,0]=4 17392 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|2,0,0]=4 17393 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|2,0,0]=4 17394 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,2,0,0,0,0|2,0,0]=4 17395 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,2,0,0,0,0|2,0,0]=4 17396 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,2,0,0,0,0|2,0,0]=4 17397 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|2,0,0]=4 17398 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|2,0,0]=4 17399 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [0,2,0,0,0,0|2,0,0]=4 17400 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [0,2,0,0,0,0|2,0,0]=4 17401 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,2,0,0,0,0|2,0,0]=4 17402 B11R0.4 CCCSCCNC(C)COC 2230a_100020603323_100000765312 [0,2,0,0,0,0|2,0,0]=4 17403 B11R0.4 CCCSCCNC(C)COC 270004a_100020603323_100000749346 [0,2,0,0,0,0|2,0,0]=4 17404 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|2,0,0]=4 17405 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|2,0,0]=4 17406 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,2,0,0,0,0|2,0,0]=4 17407 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,2,0,0,0,0|2,0,0]=4 17408 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,2,0,0,0,0|2,0,0]=4 17409 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,2,0,0,0,0|2,0,0]=4 17410 B11R0.4 CCOCCCNC(C)COC 2230a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 17411 B11R0.4 CCOCCCNC(C)COC 270004a_100000210961_100000749346 [0,2,0,0,0,0|2,0,0]=4 17412 B11R0.4 CCOCCCNC(C)COC 34a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 17413 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 17414 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 17415 B11R0.4 CCOCCCN[C@H](C)COC 2230a_100000764878_100012232248 [0,2,0,0,0,0|2,0,0]=4 17416 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,2,0,0,0,0|2,0,0]=4 17417 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,2,0,0,0,0|2,0,0]=4 17418 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [0,2,0,0,0,0|2,0,0]=4 17419 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [0,2,0,0,0,0|2,0,0]=4 17420 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [0,2,0,0,0,0|2,0,0]=4 17421 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,2,0,0,0,0|2,0,0]=4 17422 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,2,0,0,0,0|2,0,0]=4 17423 B11R0.4 CCOCCCSC(C)COC 62a_100000765312_100012232248 [0,2,0,0,0,0|2,0,0]=4 17424 B11R0.4 CCOCCCSC(C)COC 62a_100012232248_100000765312 [0,2,0,0,0,0|2,0,0]=4 17425 B11R0.4 CCOCCNCC(O)COC 2230a_100000756049_100011215890 [0,2,0,0,0,0|2,0,0]=4 17426 B11R0.4 CCOCCNCC(O)COC 34a_100000756049_100000210147 [0,2,0,0,0,0|2,0,0]=4 17427 B11R0.4 CCOCCNCC(O)COC 34a_102516460346_100011215053 [0,2,0,0,0,0|2,0,0]=4 17428 B11R0.4 CCOCCNC[C@@H](O)CC#N 2230a_102516460346_100000001066 [0,2,0,0,0,0|2,0,0]=4 17429 B11R0.4 CCOCCOCC(O)COC 34a_100000210136_100011215053 [0,2,0,0,0,0|2,0,0]=4 17430 B11R0.4 CCOCCOCC(O)COC 7a_100000210136_100011215053 [0,2,0,0,0,0|2,0,0]=4 17431 B11R0.4 CCOCCOC[C@@H](O)CC#N 7a_100000210136_100000001066 [0,2,0,0,0,0|2,0,0]=4 17432 B11R0.4 CCOCCSCC(O)COC 62a_100000210147_100011215053 [0,2,0,0,0,0|2,0,0]=4 17433 B11R0.4 CCOCCSCC(O)COC 62a_100011215053_100011215890 [0,2,0,0,0,0|2,0,0]=4 17434 B11R0.4 CCOCCSC[C@@H](O)CC#N 62a_100000001066_100011215890 [0,2,0,0,0,0|2,0,0]=4 17435 B11R0.4 CCOCCSC[C@@H](O)CC#N 62a_100000210147_100000001066 [0,2,0,0,0,0|2,0,0]=4 17436 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,2,0,0,0,0|2,0,0]=4 17437 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,2,0,0,0,0|2,0,0]=4 17438 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [0,2,0,0,0,0|2,0,0]=4 17439 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [0,2,0,0,0,0|2,0,0]=4 17440 B11R0.4 CCSCCNCC(O)COC 2230a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 17441 B11R0.4 CCSCCNCC(O)COC 34a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 17442 B11R0.4 CCSCCNC[C@@H](O)CC#N 2230a_100000106463_100000001066 [0,2,0,0,0,0|2,0,0]=4 17443 B11R0.4 CCSCCOCC(O)COC 34a_100000212035_100011215053 [0,2,0,0,0,0|2,0,0]=4 17444 B11R0.4 CCSCCOCC(O)COC 7a_100000212035_100011215053 [0,2,0,0,0,0|2,0,0]=4 17445 B11R0.4 CCSCCOC[C@@H](O)CC#N 7a_100000212035_100000001066 [0,2,0,0,0,0|2,0,0]=4 17446 B11R0.4 CCSCCSCC(O)COC 62a_100000757381_100011215053 [0,2,0,0,0,0|2,0,0]=4 17447 B11R0.4 CCSCCSCC(O)COC 62a_100011215053_100000757381 [0,2,0,0,0,0|2,0,0]=4 17448 B11R0.4 CCSCCSC[C@@H](O)CC#N 62a_100000001066_100000757381 [0,2,0,0,0,0|2,0,0]=4 17449 B11R0.4 CCSCCSC[C@@H](O)CC#N 62a_100000757381_100000001066 [0,2,0,0,0,0|2,0,0]=4 17450 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,2,0,0,0,0|2,0,0]=4 17451 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,2,0,0,0,0|2,0,0]=4 17452 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 17453 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 17454 B11R0.4 CNCCCOCC(O)COC 34a_100000213112_100011215053 [0,2,0,0,0,0|2,0,0]=4 17455 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 17456 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,2,0,0,0,0|2,0,0]=4 17457 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 17458 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 17459 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 17460 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 17461 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 17462 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 17463 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 17464 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 17465 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [0,2,0,0,0,0|2,0,0]=4 17466 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [0,2,0,0,0,0|2,0,0]=4 17467 B11R0.4 COCC(C)SCCCCCF 62a_100000729378_100000765312 [0,2,0,0,0,0|2,0,0]=4 17468 B11R0.4 COCC(C)SCCCCCF 62a_100000765312_100000729378 [0,2,0,0,0,0|2,0,0]=4 17469 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 17470 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,2,0,0,0,0|2,0,0]=4 17471 B11R0.4 COCC(O)CNCCCCF 2230a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 17472 B11R0.4 COCC(O)CNCCCCF 34a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 17473 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [0,2,0,0,0,0|2,0,0]=4 17474 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [0,2,0,0,0,0|2,0,0]=4 17475 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [0,2,0,0,0,0|2,0,0]=4 17476 B11R0.4 COCC(O)COCCCCBr 34a_100011216708_100011215053 [0,2,0,0,0,0|2,0,0]=4 17477 B11R0.4 COCC(O)COCCCCCl 34a_100000210776_100011215053 [0,2,0,0,0,0|2,0,0]=4 17478 B11R0.4 COCC(O)COCCCCCl 7a_100000210776_100011215053 [0,2,0,0,0,0|2,0,0]=4 17479 B11R0.4 COCC(O)COCCCCF 34a_100011995726_100011215053 [0,2,0,0,0,0|2,0,0]=4 17480 B11R0.4 COCC(O)COCCCCF 7a_100011995726_100011215053 [0,2,0,0,0,0|2,0,0]=4 17481 B11R0.4 COCC(O)COCCCCI 34a_200012148704_100011215053 [0,2,0,0,0,0|2,0,0]=4 17482 B11R0.4 COCC(O)COCCCCN 34a_100000750430_100011215053 [0,2,0,0,0,0|2,0,0]=4 17483 B11R0.4 COCC(O)COCCCSC 34a_100000690336_100011215053 [0,2,0,0,0,0|2,0,0]=4 17484 B11R0.4 COCC(O)COCCCSC 7a_100000690336_100011215053 [0,2,0,0,0,0|2,0,0]=4 17485 B11R0.4 COCC(O)CSCCCCF 62a_100000729493_100011215053 [0,2,0,0,0,0|2,0,0]=4 17486 B11R0.4 COCC(O)CSCCCCF 62a_100011215053_100000729493 [0,2,0,0,0,0|2,0,0]=4 17487 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [0,2,0,0,0,0|2,0,0]=4 17488 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [0,2,0,0,0,0|2,0,0]=4 17489 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,2,0,0,0,0|2,0,0]=4 17490 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,2,0,0,0,0|2,0,0]=4 17491 B11R0.4 COCCCCN[C@H](C)COC 2230a_100000764878_100000730899 [0,2,0,0,0,0|2,0,0]=4 17492 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,2,0,0,0,0|2,0,0]=4 17493 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [0,2,0,0,0,0|2,0,0]=4 17494 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [0,2,0,0,0,0|2,0,0]=4 17495 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,2,0,0,0,0|2,0,0]=4 17496 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,2,0,0,0,0|2,0,0]=4 17497 B11R0.4 COCCCCSC(C)COC 62a_100000730899_100000765312 [0,2,0,0,0,0|2,0,0]=4 17498 B11R0.4 COCCCCSC(C)COC 62a_100000765312_100000730899 [0,2,0,0,0,0|2,0,0]=4 17499 B11R0.4 COCCCNCC(O)COC 2230a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 17500 B11R0.4 COCCCNCC(O)COC 34a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 17501 B11R0.4 COCCCNCC(O)COC 34a_100150723488_100011215053 [0,2,0,0,0,0|2,0,0]=4 17502 B11R0.4 COCCCOCC(O)COC 34a_100000740835_100011215053 [0,2,0,0,0,0|2,0,0]=4 17503 B11R0.4 COCCCSCC(O)COC 62a_100000709357_100011215053 [0,2,0,0,0,0|2,0,0]=4 17504 B11R0.4 COCCCSCC(O)COC 62a_100011215053_100000709357 [0,2,0,0,0,0|2,0,0]=4 17505 B11R0.4 COCCCSC[C@@H](O)CC#N 62a_100000001066_100000709357 [0,2,0,0,0,0|2,0,0]=4 17506 B11R0.4 COCCCSC[C@@H](O)CC#N 62a_100000709357_100000001066 [0,2,0,0,0,0|2,0,0]=4 17507 B11R0.4 COC[C@@H](C)NCCCCCF 2230a_100000764878_100000729378 [0,2,0,0,0,0|2,0,0]=4 17508 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,2,0,0,0,0|2,0,0]=4 17509 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,2,0,0,0,0|2,0,0]=4 17510 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,2,0,0,0,0|2,0,0]=4 17511 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,2,0,0,0,0|2,0,0]=4 17512 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,2,0,0,0,0|2,0,0]=4 17513 B11R0.4 CSCCCNC[C@@H](O)CC#N 2230a_100000749238_100000001066 [0,2,0,0,0,0|2,0,0]=4 17514 B11R0.4 CSCCCOC[C@@H](O)CC#N 7a_100000690336_100000001066 [0,2,0,0,0,0|2,0,0]=4 17515 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,2,0,0,0,0|2,0,0]=4 17516 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|2,0,0]=4 17517 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 17518 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 17519 B11R0.4 N#CC[C@H](O)CNCCCCO 2230a_100000750430_100000001066 [0,2,0,0,0,0|2,0,0]=4 17520 B11R0.4 N#CC[C@H](O)COCCCCCl 7a_100000210776_100000001066 [0,2,0,0,0,0|2,0,0]=4 17521 B11R0.4 N#CC[C@H](O)COCCCCF 7a_100011995726_100000001066 [0,2,0,0,0,0|2,0,0]=4 17522 B11R0.4 N#CC[C@H](O)CSCCCCF 62a_100000001066_100000729493 [0,2,0,0,0,0|2,0,0]=4 17523 B11R0.4 N#CC[C@H](O)CSCCCCF 62a_100000729493_100000001066 [0,2,0,0,0,0|2,0,0]=4 17524 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000001066_100000210776 [0,2,0,0,0,0|2,0,0]=4 17525 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000210776_100000001066 [0,2,0,0,0,0|2,0,0]=4 17526 B11R0.70 C#CC(C)OCC(C)CCCC 34a_100011995851_200000035995 [0,2,0,0,0,0|2,0,0]=4 17527 B11R0.70 C#CC(C)OC[C@@H](N)CCCC 34a_100011934283_200000035995 [0,2,0,0,0,0|2,0,0]=4 17528 B11R0.70 C=CC(C)COC(C)CCCC 34a_100011215527_200011215066 [0,2,0,0,0,0|2,0,0]=4 17529 B11R0.70 C=CC(C)COC(C)CCCC 7a_100011215527_200011215066 [0,2,0,0,0,0|2,0,0]=4 17530 B11R0.70 C=CC(O)CNC(C)CCCC 2230a_100000126638_100000730141 [0,2,0,0,0,0|1,0,1]=4 17531 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [0,2,0,0,0,0|1,0,1]=4 17532 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [0,2,0,0,0,0|1,0,1]=4 17533 B11R0.70 C=CC(O)CSC(C)CCCC 62a_100000730141_200011215066 [0,2,0,0,0,0|1,0,1]=4 17534 B11R0.70 C=CC(O)CSC(C)CCCC 62a_200011215066_100000730141 [0,2,0,0,0,0|1,0,1]=4 17535 B11R0.70 CC(CCCCl)OCC(O)CO 34a_200000718107_100011219619 [0,2,0,0,0,0|2,0,0]=4 17536 B11R0.70 CC(CCCCl)OCC(O)CO 7a_200000718107_100011219619 [0,2,0,0,0,0|2,0,0]=4 17537 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 34a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 17538 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 7a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 17539 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 34a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 17540 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 7a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 17541 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 34a_200000718107_100009815848 [0,2,0,0,0,0|2,0,0]=4 17542 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 7a_200000718107_100009815848 [0,2,0,0,0,0|2,0,0]=4 17543 B11R0.70 CC(CO)NC[C@H](C)CCCO 2230a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 17544 B11R0.70 CC(CO)NC[C@H](C)CCCO 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 17545 B11R0.70 CCC(O)CNC(C)CCOC 270004a_100011218483_100000742357 [0,2,0,0,0,0|2,0,0]=4 17546 B11R0.70 CCC(O)CNC(C)CCSC 270004a_100011218483_100011217047 [0,2,0,0,0,0|2,0,0]=4 17547 B11R0.70 CCC(O)COC(C)CCCCl 34a_200000718107_100011218378 [0,2,0,0,0,0|2,0,0]=4 17548 B11R0.70 CCC(O)COC(C)CCCCl 7a_200000718107_100011218378 [0,2,0,0,0,0|2,0,0]=4 17549 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,1]=4 17550 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [0,2,0,0,0,0|1,0,1]=4 17551 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [0,2,0,0,0,0|1,0,1]=4 17552 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 17553 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 17554 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 17555 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210183 [0,2,0,0,0,0|1,0,1]=4 17556 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210183 [0,2,0,0,0,0|1,0,1]=4 17557 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210183 [0,2,0,0,0,0|1,0,1]=4 17558 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210183 [0,2,0,0,0,0|1,0,1]=4 17559 B11R0.70 CCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210183 [0,2,0,0,0,0|1,0,1]=4 17560 B11R0.70 CCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210183 [0,2,0,0,0,0|1,0,1]=4 17561 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|0,0,2]=4 17562 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,2,0,0,0,0|0,0,2]=4 17563 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,2,0,0,0,0|0,0,2]=4 17564 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,2,0,0,0,0|0,0,2]=4 17565 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,2,0,0,0,0|0,0,2]=4 17566 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,2,0,0,0,0|0,0,2]=4 17567 B11R0.70 CCCCC(C)COC(C)C#N 7a_100011995851_100000703298 [0,2,0,0,0,0|2,0,0]=4 17568 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,2,0,0,0,0|2,0,0]=4 17569 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,2,0,0,0,0|2,0,0]=4 17570 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [0,2,0,0,0,0|1,0,0]=3 17571 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [0,2,0,0,0,0|1,0,0]=3 17572 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,2,0,0,0,0|2,0,0]=4 17573 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,2,0,0,0,0|2,0,0]=4 17574 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,2,0,0,0,0|2,0,0]=4 17575 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,2,0,0,0,0|2,0,0]=4 17576 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [0,2,0,0,0,0|1,0,0]=3 17577 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,2,0,0,0,0|1,0,0]=3 17578 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,2,0,0,0,0|1,0,0]=3 17579 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,2,0,0,0,0|1,0,0]=3 17580 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,2,0,0,0,0|1,0,0]=3 17581 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,2,0,0,0,0|2,0,0]=4 17582 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [0,2,0,0,0,0|1,0,0]=3 17583 B11R0.70 CCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011215066 [0,2,0,0,0,0|1,0,0]=3 17584 B11R0.70 CCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000210087 [0,2,0,0,0,0|1,0,0]=3 17585 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [0,2,0,0,0,0|2,0,0]=4 17586 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [0,2,0,0,0,0|2,0,0]=4 17587 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [0,2,0,0,0,0|1,0,0]=3 17588 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,2,0,0,0,0|1,0,0]=3 17589 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,2,0,0,0,0|1,0,0]=3 17590 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,2,0,0,0,0|2,0,0]=4 17591 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,2,0,0,0,0|2,0,0]=4 17592 B11R0.70 CCCCC(C)OCC(C)CN 34a_100000744482_200011215066 [0,2,0,0,0,0|2,0,0]=4 17593 B11R0.70 CCCCC(C)OCC(C)OC 34a_100000690652_200011215066 [0,2,0,0,0,0|1,0,0]=3 17594 B11R0.70 CCCCC(C)OCC(Cl)CCl 34a_100000033668_200011215066 [0,2,0,0,0,0|2,0,0]=4 17595 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,2,0,0,0,0|1,0,0]=3 17596 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,2,0,0,0,0|1,0,0]=3 17597 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,2,0,0,0,0|1,0,0]=3 17598 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,2,0,0,0,0|1,0,0]=3 17599 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,2,0,0,0,0|2,0,0]=4 17600 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,2,0,0,0,0|2,0,0]=4 17601 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,2,0,0,0,0|2,0,0]=4 17602 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 17603 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 17604 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [0,2,0,0,0,0|1,0,0]=3 17605 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [0,2,0,0,0,0|1,0,0]=3 17606 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,2,0,0,0,0|1,0,0]=3 17607 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,2,0,0,0,0|1,0,0]=3 17608 B11R0.70 CCCCC(C)OC[C@H](F)CN 34a_100015665980_200011215066 [0,2,0,0,0,0|2,0,0]=4 17609 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,2,0,0,0,0|2,0,0]=4 17610 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,2,0,0,0,0|2,0,0]=4 17611 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,2,0,0,0,0|1,0,0]=3 17612 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,2,0,0,0,0|1,0,0]=3 17613 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,2,0,0,0,0|1,0,0]=3 17614 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,2,0,0,0,0|1,0,0]=3 17615 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,2,0,0,0,0|2,0,0]=4 17616 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,2,0,0,0,0|2,0,0]=4 17617 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [0,2,0,0,0,0|1,0,0]=3 17618 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [0,2,0,0,0,0|1,0,0]=3 17619 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [0,2,0,0,0,0|1,0,0]=3 17620 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [0,2,0,0,0,0|1,0,0]=3 17621 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,2,0,0,0,0|1,0,0]=3 17622 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,2,0,0,0,0|1,0,0]=3 17623 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,2,0,0,0,0|2,0,0]=4 17624 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [0,2,0,0,0,0|1,0,0]=3 17625 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,2,0,0,0,0|1,0,1]=4 17626 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,2,0,0,0,0|1,0,1]=4 17627 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|2,0,0]=4 17628 B11R0.70 CCCOC(C)CNC(C)CO 2230a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 17629 B11R0.70 CCCOC(C)CNC(C)CO 34a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 17630 B11R0.70 CCOCC(C)OCC(O)CC 34a_100000718985_100011218378 [0,2,0,0,0,0|2,0,0]=4 17631 B11R0.70 CCOCC(C)OCC(O)CC 7a_100000718985_100011218378 [0,2,0,0,0,0|2,0,0]=4 17632 B11R0.70 CCOCC(C)OCC(O)CO 34a_100000718985_100011219619 [0,2,0,0,0,0|2,0,0]=4 17633 B11R0.70 CCOCC(C)OCC(O)CO 7a_100000718985_100011219619 [0,2,0,0,0,0|2,0,0]=4 17634 B11R0.70 CCOCC(C)OC[C@@H](C)CO 34a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 17635 B11R0.70 CCOCC(C)OC[C@@H](C)CO 7a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 17636 B11R0.70 CCOCC(C)OC[C@@H](O)CF 34a_100000718985_100015614560 [0,2,0,0,0,0|2,0,0]=4 17637 B11R0.70 CCOCC(C)OC[C@@H](O)CF 7a_100000718985_100015614560 [0,2,0,0,0,0|2,0,0]=4 17638 B11R0.70 CCOCC(C)OC[C@@H](O)CO 34a_100000718985_100009815848 [0,2,0,0,0,0|2,0,0]=4 17639 B11R0.70 CCOCC(C)OC[C@@H](O)CO 7a_100000718985_100009815848 [0,2,0,0,0,0|2,0,0]=4 17640 B11R0.70 CCOCC(O)CNC(C)CO 2230a_102515437182_100012180447 [0,2,0,0,0,0|2,0,0]=4 17641 B11R0.70 CCOCC(O)CNC(C)CO 34a_102515437182_100012180447 [0,2,0,0,0,0|2,0,0]=4 17642 B11R0.70 CCSCC(C)NCC(O)CC 270004a_100011218483_200011216171 [0,2,0,0,0,0|2,0,0]=4 17643 B11R0.70 CCSCC(C)NC[C@@H](C)OC 270004a_100020591295_200011216171 [0,2,0,0,0,0|2,0,0]=4 17644 B11R0.70 COCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000742357 [0,2,0,0,0,0|2,0,0]=4 17645 B11R0.70 CO[C@H](C)CNC(C)CCSC 270004a_100020591295_100011217047 [0,2,0,0,0,0|2,0,0]=4 17646 B11R0.70 CSCC[C@H](N)COC(C)CO 34a_100011827619_100012180447 [0,2,0,0,0,0|2,0,0]=4 17647 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 17648 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 17649 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 17650 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 17651 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|0,0,1]=3 17652 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|0,0,1]=3 17653 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|0,0,1]=3 17654 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|0,0,1]=3 17655 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,2,0,0,0,0|1,0,1]=4 17656 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,1]=4 17657 B11R0.124 CCC(COCCCCF)OC 34a_100011934954_100000729493 [0,2,0,0,0,0|2,0,0]=4 17658 B11R0.124 CCC(COCCCCF)OC 7a_100011934954_100000729493 [0,2,0,0,0,0|2,0,0]=4 17659 B11R0.124 CCC(COCCCCO)OC 34a_100011934954_100011216708 [0,2,0,0,0,0|2,0,0]=4 17660 B11R0.124 CCC(COCCCCO)OC 7a_100011934954_100000210776 [0,2,0,0,0,0|2,0,0]=4 17661 B11R0.124 CCC(COCCCOC)OC 34a_100011934954_100000740836 [0,2,0,0,0,0|2,0,0]=4 17662 B11R0.124 CCC(COCCCOC)OC 7a_100011934954_100000740836 [0,2,0,0,0,0|2,0,0]=4 17663 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,2,0,0,0,0|1,0,0]=3 17664 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|0,0,0]=2 17665 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|0,0,0]=2 17666 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|0,0,0]=2 17667 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|0,0,0]=2 17668 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,2,0,0,0,0|2,0,0]=4 17669 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 17670 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,2,0,0,0,0|2,0,0]=4 17671 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,2,0,0,0,0|2,0,0]=4 17672 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 17673 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,2,0,0,0,0|2,0,0]=4 17674 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,2,0,0,0,0|2,0,0]=4 17675 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,2,0,0,0,0|2,0,0]=4 17676 B11R0.124 CCCCCCNC(CO)CO 2230a_100000759517_100000210314 [0,2,0,0,0,0|1,0,0]=3 17677 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,2,0,0,0,0|1,0,0]=3 17678 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,2,0,0,0,0|2,0,0]=4 17679 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,2,0,0,0,0|2,0,0]=4 17680 B11R0.124 CCCCCCOC(CCl)CCl 7a_100000737055_100000210314 [0,2,0,0,0,0|2,0,0]=4 17681 B11R0.124 CCCCCCOC(CF)CF 34a_100000032261_100000210314 [0,2,0,0,0,0|2,0,0]=4 17682 B11R0.124 CCCCCCOC(CF)CF 7a_100000032261_100000210314 [0,2,0,0,0,0|2,0,0]=4 17683 B11R0.124 CCCCCCOC(CN)CN 34a_100000031598_100000210314 [0,2,0,0,0,0|2,0,0]=4 17684 B11R0.124 CCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210314 [0,2,0,0,0,0|2,0,0]=4 17685 B11R0.124 CCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210314 [0,2,0,0,0,0|2,0,0]=4 17686 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,2,0,0,0,0|2,0,0]=4 17687 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,2,0,0,0,0|2,0,0]=4 17688 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,2,0,0,0,0|2,0,0]=4 17689 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,2,0,0,0,0|2,0,0]=4 17690 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,2,0,0,0,0|2,0,0]=4 17691 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,2,0,0,0,0|2,0,0]=4 17692 B11R0.124 CCCCCNCC(OC)OC 2230a_100000209983_100000751394 [0,2,0,0,0,0|1,0,0]=3 17693 B11R0.124 CCCCCNCC(OC)OC 270004a_100000209983_100000752162 [0,2,0,0,0,0|1,0,0]=3 17694 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,2,0,0,0,0|2,0,0]=4 17695 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,2,0,0,0,0|2,0,0]=4 17696 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,2,0,0,0,0|2,0,0]=4 17697 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,2,0,0,0,0|1,0,0]=3 17698 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,2,0,0,0,0|1,0,0]=3 17699 B11R0.124 CCCCCOCC(OC)OC 34a_100000210253_100000211822 [0,2,0,0,0,0|1,0,0]=3 17700 B11R0.124 CCCCCOCC(OC)OC 34a_100011216393_100000718602 [0,2,0,0,0,0|1,0,0]=3 17701 B11R0.124 CCCCCOCC(OC)OC 7a_100000210253_100000751394 [0,2,0,0,0,0|1,0,0]=3 17702 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,2,0,0,0,0|2,0,0]=4 17703 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,2,0,0,0,0|2,0,0]=4 17704 B11R0.124 CCCCCSCC(OC)OC 62a_100000210326_100000751394 [0,2,0,0,0,0|1,0,0]=3 17705 B11R0.124 CCCCCSCC(OC)OC 62a_100000751394_100000210326 [0,2,0,0,0,0|1,0,0]=3 17706 B11R0.124 CCCCNCCC(OC)OC 2230a_100000102301_100009813347 [0,2,0,0,0,0|1,0,0]=3 17707 B11R0.124 CCCCNCCC(OC)OC 7a_106832991798_100009813347 [0,2,0,0,0,0|1,0,0]=3 17708 B11R0.124 CCCCOCCC(OC)OC 34a_100000210227_100000139399 [0,2,0,0,0,0|1,0,0]=3 17709 B11R0.124 CCCCOCCC(OC)OC 7a_100000210227_100009813347 [0,2,0,0,0,0|1,0,0]=3 17710 B11R0.124 CCCCOCNC(CO)CO 2230a_100000759517_100011995733 [0,2,0,0,0,0|2,0,0]=4 17711 B11R0.124 CCCCOCN[C@@H](CC)CO 2230a_100000709445_100011995733 [0,2,0,0,0,0|2,0,0]=4 17712 B11R0.124 CCCCSCCC(OC)OC 62a_100000139399_100000210210 [0,2,0,0,0,0|1,0,0]=3 17713 B11R0.124 CCCCSCCC(OC)OC 62a_100000210211_100000139399 [0,2,0,0,0,0|1,0,0]=3 17714 B11R0.124 CCCOCCCC(OC)OC 34a_100000210258_100000069011 [0,2,0,0,0,0|1,0,0]=3 17715 B11R0.124 CCCOCCNC(CO)CO 2230a_100000759517_100011215938 [0,2,0,0,0,0|2,0,0]=4 17716 B11R0.124 CCCOCCN[C@@H](CC)CO 2230a_100000709445_100011215938 [0,2,0,0,0,0|2,0,0]=4 17717 B11R0.124 CCCSCCCC(OC)OC 62a_100000069011_100000210303 [0,2,0,0,0,0|1,0,0]=3 17718 B11R0.124 CCCSCCCC(OC)OC 62a_100000210303_100000069011 [0,2,0,0,0,0|1,0,0]=3 17719 B11R0.124 CCOCCCNC(CO)CO 2230a_100000759517_100012232248 [0,2,0,0,0,0|2,0,0]=4 17720 B11R0.124 CCOCCCN[C@@H](CC)CO 2230a_100000709445_100012232248 [0,2,0,0,0,0|2,0,0]=4 17721 B11R0.124 CCOCCNCC(OC)OC 2230a_102516460346_100000751394 [0,2,0,0,0,0|2,0,0]=4 17722 B11R0.124 CCOCCNCC(OC)OC 270004a_102516460346_100000752162 [0,2,0,0,0,0|2,0,0]=4 17723 B11R0.124 CCOCCNCC(OC)OC 34a_102516460346_100000211822 [0,2,0,0,0,0|2,0,0]=4 17724 B11R0.124 CCOCCOCC(CC)OC 34a_100011934954_100000210147 [0,2,0,0,0,0|2,0,0]=4 17725 B11R0.124 CCOCCOCC(CC)OC 7a_100011934954_100011215890 [0,2,0,0,0,0|2,0,0]=4 17726 B11R0.124 CCOCCOCC(OC)OC 34a_100000210136_100000211822 [0,2,0,0,0,0|2,0,0]=4 17727 B11R0.124 CCOCCOCC(OC)OC 34a_100011216393_100000210147 [0,2,0,0,0,0|2,0,0]=4 17728 B11R0.124 CCOCCOCC(OC)OC 7a_100000210136_100000751394 [0,2,0,0,0,0|2,0,0]=4 17729 B11R0.124 CCOCCSCC(OC)OC 62a_100000210147_100000751394 [0,2,0,0,0,0|2,0,0]=4 17730 B11R0.124 CCOCCSCC(OC)OC 62a_100000751394_100011215890 [0,2,0,0,0,0|2,0,0]=4 17731 B11R0.124 CCOCSCCC(OC)OC 62a_100000139399_100000739092 [0,2,0,0,0,0|2,0,0]=4 17732 B11R0.124 CCOCSCCC(OC)OC 62a_100000739092_100000139399 [0,2,0,0,0,0|2,0,0]=4 17733 B11R0.124 CCSCCNCC(OC)OC 2230a_100000106463_100000751394 [0,2,0,0,0,0|2,0,0]=4 17734 B11R0.124 CCSCCNCC(OC)OC 270004a_100000106463_100000752162 [0,2,0,0,0,0|2,0,0]=4 17735 B11R0.124 CCSCCOCC(CC)OC 34a_100011934954_100000757381 [0,2,0,0,0,0|2,0,0]=4 17736 B11R0.124 CCSCCOCC(CC)OC 7a_100011934954_100000757381 [0,2,0,0,0,0|2,0,0]=4 17737 B11R0.124 CCSCCOCC(OC)OC 34a_100000212035_100000211822 [0,2,0,0,0,0|2,0,0]=4 17738 B11R0.124 CCSCCOCC(OC)OC 34a_100011216393_100000757381 [0,2,0,0,0,0|2,0,0]=4 17739 B11R0.124 CCSCCOCC(OC)OC 7a_100000212035_100000751394 [0,2,0,0,0,0|2,0,0]=4 17740 B11R0.124 CCSCCSCC(OC)OC 62a_100000751394_100000757381 [0,2,0,0,0,0|2,0,0]=4 17741 B11R0.124 CCSCCSCC(OC)OC 62a_100000757381_100000751394 [0,2,0,0,0,0|2,0,0]=4 17742 B11R0.124 CC[C@@H](CO)NCCCCCF 2230a_100000709445_100000729378 [0,2,0,0,0,0|2,0,0]=4 17743 B11R0.124 CC[C@@H](CO)NCCCCCO 2230a_100000709445_100000746330 [0,2,0,0,0,0|2,0,0]=4 17744 B11R0.124 CC[C@@H](CO)NCCCCOC 2230a_100000709445_100000730899 [0,2,0,0,0,0|2,0,0]=4 17745 B11R0.124 CNCCCOCC(OC)OC 34a_100000213112_100000211822 [0,2,0,0,0,0|2,0,0]=4 17746 B11R0.124 COC(CCCNCCF)OC 34a_100000724931_100000069011 [0,2,0,0,0,0|2,0,0]=4 17747 B11R0.124 COC(CCCNCCO)OC 2230a_100016997473_100000069011 [0,2,0,0,0,0|2,0,0]=4 17748 B11R0.124 COC(CCCNCCO)OC 34a_100016990907_100000069011 [0,2,0,0,0,0|2,0,0]=4 17749 B11R0.124 COC(CCCOCCBr)OC 34a_100000211926_100000069011 [0,2,0,0,0,0|2,0,0]=4 17750 B11R0.124 COC(CCCOCCN)OC 34a_100000210304_100000069011 [0,2,0,0,0,0|2,0,0]=4 17751 B11R0.124 COC(CCCSCCF)OC 62a_100000069011_100011217306 [0,2,0,0,0,0|2,0,0]=4 17752 B11R0.124 COC(CCCSCCF)OC 62a_100011217306_100000069011 [0,2,0,0,0,0|2,0,0]=4 17753 B11R0.124 COC(CCCSCCO)OC 62a_100000069011_100000211926 [0,2,0,0,0,0|2,0,0]=4 17754 B11R0.124 COC(CCCSCCO)OC 62a_100000211926_100000069011 [0,2,0,0,0,0|2,0,0]=4 17755 B11R0.124 COC(CCCSCSC)OC 62a_100000069011_100011218213 [0,2,0,0,0,0|2,0,0]=4 17756 B11R0.124 COC(CCCSCSC)OC 62a_100011218213_100000069011 [0,2,0,0,0,0|2,0,0]=4 17757 B11R0.124 COC(CCNCCCF)OC 2230a_100015189416_100009813347 [0,2,0,0,0,0|2,0,0]=4 17758 B11R0.124 COC(CCNCCCF)OC 34a_100015189416_100000139399 [0,2,0,0,0,0|2,0,0]=4 17759 B11R0.124 COC(CCNCCSC)OC 2230a_100020590264_100009813347 [0,2,0,0,0,0|2,0,0]=4 17760 B11R0.124 COC(CCOCCCBr)OC 34a_100011217188_100000139399 [0,2,0,0,0,0|2,0,0]=4 17761 B11R0.124 COC(CCOCCCCl)OC 34a_100000230001_100000139399 [0,2,0,0,0,0|2,0,0]=4 17762 B11R0.124 COC(CCOCCCF)OC 34a_100000759539_100000139399 [0,2,0,0,0,0|2,0,0]=4 17763 B11R0.124 COC(CCOCCCN)OC 34a_100000182051_100000139399 [0,2,0,0,0,0|2,0,0]=4 17764 B11R0.124 COC(CCOCCSC)OC 34a_100000230434_100000139399 [0,2,0,0,0,0|2,0,0]=4 17765 B11R0.124 COC(CCOCCSC)OC 7a_100000230434_100009813347 [0,2,0,0,0,0|2,0,0]=4 17766 B11R0.124 COC(CCSCCCF)OC 62a_100000139399_100011934791 [0,2,0,0,0,0|2,0,0]=4 17767 B11R0.124 COC(CCSCCCF)OC 62a_100011934791_100000139399 [0,2,0,0,0,0|2,0,0]=4 17768 B11R0.124 COC(CCSCCCO)OC 62a_100000139399_100011215043 [0,2,0,0,0,0|2,0,0]=4 17769 B11R0.124 COC(CCSCCCO)OC 62a_100011215043_100000139399 [0,2,0,0,0,0|2,0,0]=4 17770 B11R0.124 COC(CCSCCSC)OC 62a_100000139399_100000751147 [0,2,0,0,0,0|2,0,0]=4 17771 B11R0.124 COC(CCSCCSC)OC 62a_100000212216_100000139399 [0,2,0,0,0,0|2,0,0]=4 17772 B11R0.124 COC(CNCCCCO)OC 2230a_100000750430_100000751394 [0,2,0,0,0,0|2,0,0]=4 17773 B11R0.124 COC(CNCCCCO)OC 270004a_100000750430_100000752162 [0,2,0,0,0,0|2,0,0]=4 17774 B11R0.124 COC(CNCCCCO)OC 34a_100000750430_100000211822 [0,2,0,0,0,0|2,0,0]=4 17775 B11R0.124 COC(CNCCCSC)OC 2230a_100000749238_100000751394 [0,2,0,0,0,0|2,0,0]=4 17776 B11R0.124 COC(CNCCCSC)OC 270004a_100000749238_100000752162 [0,2,0,0,0,0|2,0,0]=4 17777 B11R0.124 COC(COCCCCBr)OC 34a_100011216708_100000211822 [0,2,0,0,0,0|2,0,0]=4 17778 B11R0.124 COC(COCCCCCl)OC 34a_100000210776_100000211822 [0,2,0,0,0,0|2,0,0]=4 17779 B11R0.124 COC(COCCCCCl)OC 7a_100000210776_100000751394 [0,2,0,0,0,0|2,0,0]=4 17780 B11R0.124 COC(COCCCCF)OC 34a_100011216393_100000729493 [0,2,0,0,0,0|2,0,0]=4 17781 B11R0.124 COC(COCCCCF)OC 34a_100011995726_100000211822 [0,2,0,0,0,0|2,0,0]=4 17782 B11R0.124 COC(COCCCCF)OC 7a_100011995726_100000751394 [0,2,0,0,0,0|2,0,0]=4 17783 B11R0.124 COC(COCCCCI)OC 34a_200012148704_100000211822 [0,2,0,0,0,0|2,0,0]=4 17784 B11R0.124 COC(COCCCCN)OC 34a_100000750430_100000211822 [0,2,0,0,0,0|2,0,0]=4 17785 B11R0.124 COC(COCCCCO)OC 34a_100011216393_100011216708 [0,2,0,0,0,0|2,0,0]=4 17786 B11R0.124 COC(COCCCSC)OC 34a_100000690336_100000211822 [0,2,0,0,0,0|2,0,0]=4 17787 B11R0.124 COC(COCCCSC)OC 7a_100000690336_100000751394 [0,2,0,0,0,0|2,0,0]=4 17788 B11R0.124 COC(CSCCCCF)OC 62a_100000729493_100000751394 [0,2,0,0,0,0|2,0,0]=4 17789 B11R0.124 COC(CSCCCCF)OC 62a_100000751394_100000729493 [0,2,0,0,0,0|2,0,0]=4 17790 B11R0.124 COC(CSCCCCO)OC 62a_100000210776_100000751394 [0,2,0,0,0,0|2,0,0]=4 17791 B11R0.124 COC(CSCCCCO)OC 62a_100000751394_100000210776 [0,2,0,0,0,0|2,0,0]=4 17792 B11R0.124 COCCCCNC(CO)CO 2230a_100000759517_100000730899 [0,2,0,0,0,0|2,0,0]=4 17793 B11R0.124 COCCCNCC(OC)OC 270004a_100150723488_100000752162 [0,2,0,0,0,0|2,0,0]=4 17794 B11R0.124 COCCCNCC(OC)OC 34a_100150723488_100000211822 [0,2,0,0,0,0|2,0,0]=4 17795 B11R0.124 COCCCOCC(OC)OC 34a_100000740835_100000211822 [0,2,0,0,0,0|2,0,0]=4 17796 B11R0.124 COCCCOCC(OC)OC 34a_100011216393_100000740836 [0,2,0,0,0,0|2,0,0]=4 17797 B11R0.124 COCCCSCC(OC)OC 62a_100000709357_100000751394 [0,2,0,0,0,0|2,0,0]=4 17798 B11R0.124 COCCCSCC(OC)OC 62a_100000751394_100000709357 [0,2,0,0,0,0|2,0,0]=4 17799 B11R0.124 COCCNCCC(OC)OC 2230a_100000209980_100009813347 [0,2,0,0,0,0|2,0,0]=4 17800 B11R0.124 COCCOCCC(OC)OC 34a_100000210237_100000139399 [0,2,0,0,0,0|2,0,0]=4 17801 B11R0.124 COCCSCCC(OC)OC 62a_100000139399_100000233755 [0,2,0,0,0,0|2,0,0]=4 17802 B11R0.124 COCCSCCC(OC)OC 62a_100000233755_100000139399 [0,2,0,0,0,0|2,0,0]=4 17803 B11R0.124 COCSCCCC(OC)OC 62a_100000069011_100000766300 [0,2,0,0,0,0|2,0,0]=4 17804 B11R0.124 COCSCCCC(OC)OC 62a_100000766300_100000069011 [0,2,0,0,0,0|2,0,0]=4 17805 B11R0.124 OCC(CO)NCCCCCF 2230a_100000759517_100000729378 [0,2,0,0,0,0|2,0,0]=4 17806 B11R0.124 OCCCCCNC(CO)CO 2230a_100000759517_100000746330 [0,2,0,0,0,0|2,0,0]=4 17807 B11R0.142 C#CC(C)C(=O)CCCCCC 1458a_100102632555_200000035995 [0,2,0,0,0,0|1,0,1]=4 17808 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,2,0,0,0,0|1,0,1]=4 17809 B11R0.142 C=CC(C)N(C)CCCCCC 269982a_106256046315_100011215867 [0,2,0,0,0,0|2,0,0]=4 17810 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 34a_100015455354_100000718602 [0,2,0,0,0,0|2,0,0]=4 17811 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 7a_100015455354_100000210326 [0,2,0,0,0,0|2,0,0]=4 17812 B11R0.142 CC(CO)N(C)CCCCCF 2230a_100000693034_100000729378 [0,2,0,0,0,0|2,0,0]=4 17813 B11R0.142 CC(CO)N(C)CCCCCF 269982a_100000693034_100000729378 [0,2,0,0,0,0|2,0,0]=4 17814 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 17815 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000722520_100012180447 [0,2,0,0,0,0|2,0,0]=4 17816 B11R0.142 CC(CO)N(C)CCCCCO 269982a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 17817 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,1]=4 17818 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|1,0,1]=4 17819 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,2,0,0,0,0|1,0,1]=4 17820 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210757 [0,2,0,0,0,0|1,0,1]=4 17821 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100102632555_100000703298 [0,2,0,0,0,0|1,0,1]=4 17822 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|1,0,1]=4 17823 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|1,0,1]=4 17824 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,2,0,0,0,0|0,0,1]=3 17825 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,2,0,0,0,0|0,1,1]=4 17826 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|0,0,1]=3 17827 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|0,0,1]=3 17828 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|0,0,2]=4 17829 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|0,0,2]=4 17830 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 17831 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 17832 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|0,0,2]=4 17833 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|0,0,2]=4 17834 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,2,0,0,0,0|0,0,2]=4 17835 B11R0.142 CCCCCCN(C)C(C)C#N 2230a_106256046315_100000184139 [0,2,0,0,0,0|2,0,0]=4 17836 B11R0.142 CCCCCCN(C)C(C)C#N 269982a_106256046315_100000703298 [0,2,0,0,0,0|2,0,0]=4 17837 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,2,0,0,0,0|2,0,0]=4 17838 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 17839 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,2,0,0,0,0|2,0,0]=4 17840 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 17841 B11R0.142 CCCCCCN(C)C(C)CO 2230a_100000693034_100000210314 [0,2,0,0,0,0|1,0,0]=3 17842 B11R0.142 CCCCCCN(C)C(C)CO 2230a_106256046315_100012180447 [0,2,0,0,0,0|1,0,0]=3 17843 B11R0.142 CCCCCCN(C)C(C)CO 269982a_100000693034_100000210757 [0,2,0,0,0,0|1,0,0]=3 17844 B11R0.142 CCCCCCN(C)C(C)OC 269982a_106256046315_100009879195 [0,2,0,0,0,0|1,0,0]=3 17845 B11R0.142 CCCCCCN(C)[C@H](C)CO 269982a_106256046315_100016084084 [0,2,0,0,0,0|1,0,0]=3 17846 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,2,0,0,0,0|1,0,1]=4 17847 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,2,0,0,0,0|1,0,1]=4 17848 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,2,0,0,0,0|1,0,1]=4 17849 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,2,0,0,0,0|1,0,1]=4 17850 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|1,0,1]=4 17851 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|1,0,1]=4 17852 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,2,0,0,0,0|2,0,0]=4 17853 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,2,0,0,0,0|2,0,0]=4 17854 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,2,0,0,0,0|2,0,0]=4 17855 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,2,0,0,0,0|1,0,1]=4 17856 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,2,0,0,0,0|1,0,1]=4 17857 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|1,0,1]=4 17858 B11R0.142 CCCCOCN(C)C(C)CO 2230a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 17859 B11R0.142 CCCCOCN(C)C(C)CO 269982a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 17860 B11R0.142 CCCOCCC(=O)C(C)OC 1458a_100000743197_100011215938 [0,2,0,0,0,0|1,0,1]=4 17861 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,2,0,0,0,0|1,0,1]=4 17862 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|1,0,1]=4 17863 B11R0.142 CCCOCCN(C)C(C)CO 2230a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 17864 B11R0.142 CCCOCCN(C)C(C)CO 269982a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 17865 B11R0.142 CCOCCCC(=O)C(C)OC 1458a_100000743197_100012232248 [0,2,0,0,0,0|1,0,1]=4 17866 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,2,0,0,0,0|1,0,1]=4 17867 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|1,0,1]=4 17868 B11R0.142 CCOCCCN(C)C(C)CO 2230a_100000693034_100012232248 [0,2,0,0,0,0|2,0,0]=4 17869 B11R0.142 CCOCCCN(C)C(C)CO 269982a_100000693034_100012232248 [0,2,0,0,0,0|2,0,0]=4 17870 B11R0.142 COC(C)C(=O)CCCCCF 1458a_100000743197_100000729378 [0,2,0,0,0,0|1,0,1]=4 17871 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,2,0,0,0,0|1,0,1]=4 17872 B11R0.142 COC(C)N(C)CCCCCO 269982a_100000722520_100009879195 [0,2,0,0,0,0|2,0,0]=4 17873 B11R0.142 COCCCCC(=O)C(C)OC 1458a_100000743197_100000755781 [0,2,0,0,0,0|1,0,1]=4 17874 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|1,0,1]=4 17875 B11R0.142 COCCCCN(C)C(C)CO 2230a_100000693034_100000730899 [0,2,0,0,0,0|2,0,0]=4 17876 B11R0.142 COCCCCN(C)C(C)CO 269982a_100000693034_100000730899 [0,2,0,0,0,0|2,0,0]=4 17877 B11R0.142 C[C@H](CO)N(C)CCCCCO 269982a_100000722520_100016084084 [0,2,0,0,0,0|2,0,0]=4 17878 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|1,0,1]=4 17879 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|1,0,1]=4 17880 B11R0.76 C#CC(OCCCCC)C(C)C 34a_100011217124_100000718602 [0,2,0,0,0,0|2,0,0]=4 17881 B11R0.76 C#CC(OCCCCC)C(C)C 7a_100011217124_100000210326 [0,2,0,0,0,0|2,0,0]=4 17882 B11R0.76 C=CC(OCCCCC)C(C)C 34a_100000732651_100000718602 [0,2,0,0,0,0|2,0,0]=4 17883 B11R0.76 C=CC(OCCCCC)C(C)C 7a_100000732651_100000210326 [0,2,0,0,0,0|2,0,0]=4 17884 B11R0.76 CCCCCCC(CC)N(C)C 270004a_100102631434_100011219640 [0,2,0,0,0,0|2,0,0]=4 17885 B11R0.76 CCCCCCN(CC)C(C)C 2230a_100000223864_100000210314 [0,2,0,0,0,0|2,0,0]=4 17886 B11R0.76 CCCCCCN(CC)C(C)C 269982a_100000223864_100000210757 [0,2,0,0,0,0|2,0,0]=4 17887 B11R0.76 CCCCCNC(CC)C(C)C 270004a_100000209983_100000210600 [0,2,0,0,0,0|2,0,0]=4 17888 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210326 [0,2,0,0,0,0|1,0,0]=3 17889 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000718602 [0,2,0,0,0,0|1,0,0]=3 17890 B11R0.76 CCCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210326 [0,2,0,0,0,0|2,0,0]=4 17891 B11R0.76 CCCCCN[C@@H](CO)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|2,0,0]=4 17892 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210326 [0,2,0,0,0,0|1,0,0]=3 17893 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000718602 [0,2,0,0,0,0|1,0,0]=3 17894 B11R0.76 CCCCCOC(C#N)C(C)C 34a_100000748901_100000718602 [0,2,0,0,0,0|2,0,0]=4 17895 B11R0.76 CCCCCOC(C#N)C(C)C 7a_100000748901_100000210326 [0,2,0,0,0,0|2,0,0]=4 17896 B11R0.76 CCCCCOC(CC)C(C)C 34a_100011218073_100000718602 [0,2,0,0,0,0|2,0,0]=4 17897 B11R0.76 CCCCCOC(CC)C(C)C 7a_100011218073_100000210326 [0,2,0,0,0,0|2,0,0]=4 17898 B11R0.76 CCCCCOC(CN)C(C)C 34a_100000759067_100000718602 [0,2,0,0,0,0|2,0,0]=4 17899 B11R0.76 CCCCNCC(CC)C(C)C 269862a_100000102301_100011214906 [0,2,0,0,0,0|2,0,0]=4 17900 B11R0.76 CCCCNCC(CO)C(C)C 34a_100000692819_100000210210 [0,2,0,0,0,0|2,0,0]=4 17901 B11R0.76 CCCCOCC(CC)C(C)C 34a_100011995916_100000210210 [0,2,0,0,0,0|2,0,0]=4 17902 B11R0.76 CCCCOCC(CC)C(C)C 7a_100011995916_100000210211 [0,2,0,0,0,0|2,0,0]=4 17903 B11R0.76 CCCCOCC(CN)C(C)C 34a_100000692819_100000210210 [0,2,0,0,0,0|2,0,0]=4 17904 B11R0.76 CCOCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011215890 [0,2,0,0,0,0|2,0,0]=4 17905 B11R0.76 CCOCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210147 [0,2,0,0,0,0|2,0,0]=4 17906 B11R0.76 CCOCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215890 [0,2,0,0,0,0|2,0,0]=4 17907 B11R0.76 CCOCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210147 [0,2,0,0,0,0|2,0,0]=4 17908 B11R0.76 CCSCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000757381 [0,2,0,0,0,0|2,0,0]=4 17909 B11R0.76 CCSCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000757381 [0,2,0,0,0,0|2,0,0]=4 17910 B11R0.76 CCSCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000757381 [0,2,0,0,0,0|2,0,0]=4 17911 B11R0.76 CCSCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000757381 [0,2,0,0,0,0|2,0,0]=4 17912 B11R0.76 CC[C@H](NCCCCF)[C@@H](C)O 2230a_100161114882_100000729493 [0,2,0,0,0,0|2,0,0]=4 17913 B11R0.76 CC[C@H](NCCCCF)[C@@H](C)O 34a_100161114882_100000729493 [0,2,0,0,0,0|2,0,0]=4 17914 B11R0.76 CC[C@H](NCCCCO)[C@@H](C)O 2230a_100161114882_100000210776 [0,2,0,0,0,0|2,0,0]=4 17915 B11R0.76 CC[C@H](NCCCCO)[C@@H](C)O 34a_100161114882_100011216708 [0,2,0,0,0,0|2,0,0]=4 17916 B11R0.76 CC[C@H](NCCCOC)[C@@H](C)O 2230a_100161114882_100000740836 [0,2,0,0,0,0|2,0,0]=4 17917 B11R0.76 CC[C@H](NCCCOC)[C@@H](C)O 34a_100161114882_100000740836 [0,2,0,0,0,0|2,0,0]=4 17918 B11R0.76 COCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000740836 [0,2,0,0,0,0|2,0,0]=4 17919 B11R0.76 COCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000740836 [0,2,0,0,0,0|2,0,0]=4 17920 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCF 2230a_100015196842_100000729493 [0,2,0,0,0,0|2,0,0]=4 17921 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCF 34a_100015196842_100000729493 [0,2,0,0,0,0|2,0,0]=4 17922 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCO 2230a_100015196842_100000210776 [0,2,0,0,0,0|2,0,0]=4 17923 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCO 34a_100015196842_100011216708 [0,2,0,0,0,0|2,0,0]=4 17924 B11R0.125 CCCCCCC(C)(C)C(=O)C 1458a_100011290782_200000210301 [0,2,0,0,0,0|0,0,2]=4 17925 B11R0.125 CCCCCCC(C)(C)C(=O)[13CH3] 1458a_100011290782_200025704644 [0,2,0,0,0,0|0,0,2]=4 17926 B11R0.125 CCCCCNC(C)(C)C(C)C 2230a_200160471154_100000210326 [0,2,0,0,0,0|2,0,0]=4 17927 B11R0.125 CCCCCOC(C)(C)C(C)C 7a_100011215261_100000210326 [0,2,0,0,0,0|2,0,0]=4 17928 B11R0.163 CCCCC(C)NC(=O)[C@@H](C)O 240690a_100000126638_100000717761 [0,2,0,0,0,0|1,0,1]=4 17929 B11R0.163 CCCCC(C)NC(=O)[C@H](C)O 1626a_100000126638_217856618621 [0,2,0,0,0,0|1,0,1]=4 17930 B11R0.163 CCCCC(C)NC(=O)[C@H](C)O 240690a_100000126638_217856618621 [0,2,0,0,0,0|1,0,1]=4 17931 B11R0.163 CCCCC(C)NC(C)C(C)C 2230a_100000211541_200011215066 [0,2,0,0,0,0|2,0,0]=4 17932 B11R0.163 CCCCC(C)NC(C)C(C)C 270004a_100000211541_100000210087 [0,2,0,0,0,0|2,0,0]=4 17933 B11R0.163 CCCCC(C)OC(C)C(C)C 7a_100000748068_200011215066 [0,2,0,0,0,0|2,0,0]=4 17934 B11R0.85 C=C(C)CCC(=O)CCC(C)O 1458a_200000688413_100012276601 [0,2,0,0,0,0|0,0,2]=4 17935 B11R0.85 C=C(C)CCC(C)NCC(C)O 270004a_100000210904_100011215600 [0,2,0,0,0,0|1,0,1]=4 17936 B11R0.85 CC(C)CCC(=O)CCC(C)C 1458a_100000181311_100000210312 [0,2,0,0,0,0|1,0,1]=4 17937 B11R0.85 CC(C)CCC(=O)CCC(C)O 1458a_100000181311_100012276601 [0,2,0,0,0,0|0,0,1]=3 17938 B11R0.85 CC(C)CCC(=O)NCC(C)O 11a_100000210904_100000181311 [0,2,0,0,0,0|1,0,1]=4 17939 B11R0.85 CC(C)CCC(=O)NCC(C)O 240690a_100000210904_100000181311 [0,2,0,0,0,0|1,0,1]=4 17940 B11R0.85 CC(C)CCC(=O)NCC(C)O 527a_100000210904_100000181311 [0,2,0,0,0,0|1,0,1]=4 17941 B11R0.85 CC(C)CCC(C)NCC(C)C 2230a_100000210953_100011261404 [0,2,0,0,0,0|2,0,0]=4 17942 B11R0.85 CC(C)CCC(C)NCC(C)C 2230a_100138410893_100000210760 [0,2,0,0,0,0|2,0,0]=4 17943 B11R0.85 CC(C)CCC(C)NCC(C)C 270004a_100000210953_100000210476 [0,2,0,0,0,0|2,0,0]=4 17944 B11R0.85 CC(C)CCC(C)NCC(C)C 270004a_100138410893_100000210432 [0,2,0,0,0,0|2,0,0]=4 17945 B11R0.85 CC(C)CCC(C)NCC(C)C 34a_100000210953_100011261404 [0,2,0,0,0,0|2,0,0]=4 17946 B11R0.85 CC(C)CCC(C)NCC(C)O 2230a_100000210904_100011261404 [0,2,0,0,0,0|1,0,0]=3 17947 B11R0.85 CC(C)CCC(C)NCC(C)O 2230a_100138410893_100011218427 [0,2,0,0,0,0|1,0,0]=3 17948 B11R0.85 CC(C)CCC(C)NCC(C)O 270004a_100000210904_100000210476 [0,2,0,0,0,0|1,0,0]=3 17949 B11R0.85 CC(C)CCC(C)NCC(C)O 34a_100000210904_100011261404 [0,2,0,0,0,0|1,0,0]=3 17950 B11R0.85 CC(C)CCC(C)NC[C@@H](C)O 2230a_100138410893_100009817552 [0,2,0,0,0,0|1,0,0]=3 17951 B11R0.85 CC(C)CCC(C)OCC(C)Br 34a_100012180447_100011261404 [0,2,0,0,0,0|2,0,0]=4 17952 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100000210257_100011261404 [0,2,0,0,0,0|2,0,0]=4 17953 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100011215350_100000210624 [0,2,0,0,0,0|2,0,0]=4 17954 B11R0.85 CC(C)CCC(C)OCC(C)C 7a_100011215350_100000210760 [0,2,0,0,0,0|2,0,0]=4 17955 B11R0.85 CC(C)CCC(C)OCC(C)F 34a_100015925927_100011261404 [0,2,0,0,0,0|2,0,0]=4 17956 B11R0.85 CC(C)CCC(C)OCC(C)O 34a_100011215350_100011218427 [0,2,0,0,0,0|1,0,0]=3 17957 B11R0.85 CC(C)CCC(C)OCC(C)O 7a_100011215350_100011218427 [0,2,0,0,0,0|1,0,0]=3 17958 B11R0.85 CC(C)CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011261404 [0,2,0,0,0,0|2,0,0]=4 17959 B11R0.85 CC(C)CCC(C)OC[C@@H](C)N 34a_100000737577_100011261404 [0,2,0,0,0,0|2,0,0]=4 17960 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 34a_100011215350_100009817552 [0,2,0,0,0,0|1,0,0]=3 17961 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 7a_100011215350_100009817552 [0,2,0,0,0,0|1,0,0]=3 17962 B11R0.85 CC(C)CCC(C)SCC(C)C 62a_100000210624_100011261404 [0,2,0,0,0,0|2,0,0]=4 17963 B11R0.85 CC(C)CCC(C)SCC(C)C 62a_100011261404_100000210760 [0,2,0,0,0,0|2,0,0]=4 17964 B11R0.85 CC(C)CCC(C)SCC(C)O 62a_100011218427_100011261404 [0,2,0,0,0,0|1,0,0]=3 17965 B11R0.85 CC(C)CCC(C)SCC(C)O 62a_100011261404_100011218427 [0,2,0,0,0,0|1,0,0]=3 17966 B11R0.85 CC(C)CCC(C)SC[C@@H](C)O 62a_100009817552_100011261404 [0,2,0,0,0,0|1,0,0]=3 17967 B11R0.85 CC(C)CCC(C)SC[C@@H](C)O 62a_100011261404_100009817552 [0,2,0,0,0,0|1,0,0]=3 17968 B11R0.85 CC(C)CCN(C)CCC(C)C 2230a_100000207472_200000210301 [0,2,0,0,0,0|2,0,0]=4 17969 B11R0.85 CC(C)CCN(C)CCC(C)C 2230a_100000742789_100000210312 [0,2,0,0,0,0|2,0,0]=4 17970 B11R0.85 CC(C)CCN(C)CCC(C)C 269982a_100000207472_200000210301 [0,2,0,0,0,0|2,0,0]=4 17971 B11R0.85 CC(C)CCN(C)CCC(C)C 269982a_100000742789_100000210312 [0,2,0,0,0,0|2,0,0]=4 17972 B11R0.85 CC(C)CCN(C)CCC(C)O 2230a_100000742789_100012276601 [0,2,0,0,0,0|1,0,0]=3 17973 B11R0.85 CC(C)CCN(C)CCC(C)O 269982a_100000742789_100012276601 [0,2,0,0,0,0|1,0,0]=3 17974 B11R0.85 CC(C)CCN([13CH3])CCC(C)C 2230a_100000207472_200025704644 [0,2,0,0,0,0|2,0,0]=4 17975 B11R0.85 CC(C)CCN([13CH3])CCC(C)C 269982a_100000207472_200025704644 [0,2,0,0,0,0|2,0,0]=4 17976 B11R0.85 CC(C)CNC(=O)CCC(C)O 1626a_100000210953_100000718519 [0,2,0,0,0,0|1,0,1]=4 17977 B11R0.85 CC(O)CCC(=O)CC[S+](C)C 1458a_100009452791_100012276601 [0,2,0,0,0,0|1,0,1]=4 17978 B11R0.85 CC(O)CCC(=O)COC(C)C 1458a_100000745533_100012276601 [0,2,0,0,0,0|1,0,1]=4 17979 B11R0.85 CC(O)CCC(=O)CSC(C)C 1458a_100000241585_100012276601 [0,2,0,0,0,0|1,0,1]=4 17980 B11R0.85 CC(O)CCN(C)CCN(C)C 269982a_100000225618_100012276601 [0,2,0,0,0,0|2,0,0]=4 17981 B11R0.164 C#CC(CCCC)OCC(C)C 34a_200011217967_100000210624 [0,2,0,0,0,0|2,0,0]=4 17982 B11R0.164 C#CC(CCCC)OCC(C)C 7a_200011217967_100000210760 [0,2,0,0,0,0|2,0,0]=4 17983 B11R0.164 C#CC(CCCC)OCC(C)O 34a_200011217967_100011218427 [0,2,0,0,0,0|1,0,0]=3 17984 B11R0.164 C#CC(CCCC)OCC(C)O 7a_200011217967_100011218427 [0,2,0,0,0,0|1,0,0]=3 17985 B11R0.164 C#CC(CCCC)OC[C@@H](C)O 34a_200011217967_100009817552 [0,2,0,0,0,0|1,0,0]=3 17986 B11R0.164 C#CC(CCCC)OC[C@@H](C)O 7a_200011217967_100009817552 [0,2,0,0,0,0|1,0,0]=3 17987 B11R0.164 C=CC(CCCC)OCC(C)C 34a_200011215037_100000210624 [0,2,0,0,0,0|2,0,0]=4 17988 B11R0.164 C=CC(CCCC)OCC(C)C 7a_200011215037_100000210760 [0,2,0,0,0,0|2,0,0]=4 17989 B11R0.164 C=CC(CCCC)OCC(C)O 34a_200011215037_100011218427 [0,2,0,0,0,0|1,0,0]=3 17990 B11R0.164 C=CC(CCCC)OCC(C)O 7a_200011215037_100011218427 [0,2,0,0,0,0|1,0,0]=3 17991 B11R0.164 C=CC(CCCC)OC[C@@H](C)O 34a_200011215037_100009817552 [0,2,0,0,0,0|1,0,0]=3 17992 B11R0.164 C=CC(CCCC)OC[C@@H](C)O 7a_200011215037_100009817552 [0,2,0,0,0,0|1,0,0]=3 17993 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,2,0,0,0,0|0,0,2]=4 17994 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,2,0,0,0,0|0,0,2]=4 17995 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100000209976_100000210206 [0,2,0,0,0,0|2,0,0]=4 17996 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100138425928_100000211942 [0,2,0,0,0,0|2,0,0]=4 17997 B11R0.164 CCCCC(CC)CNC(C)C 34a_100138425928_100000211942 [0,2,0,0,0,0|2,0,0]=4 17998 B11R0.164 CCCCC(CC)COC(C)C 34a_100000210273_100000210206 [0,2,0,0,0,0|2,0,0]=4 17999 B11R0.164 CCCCC(CC)COC(C)C 34a_100000212225_100000211942 [0,2,0,0,0,0|2,0,0]=4 18000 B11R0.164 CCCCC(CC)COC(C)C 7a_100000210273_100000210206 [0,2,0,0,0,0|2,0,0]=4 18001 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000210206_100000211942 [0,2,0,0,0,0|2,0,0]=4 18002 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000211942_100000210206 [0,2,0,0,0,0|2,0,0]=4 18003 B11R0.164 CCCCC(CC)NCC(C)C 270004a_100000210953_100000753412 [0,2,0,0,0,0|2,0,0]=4 18004 B11R0.164 CCCCC(CC)NCC(C)C 34a_100000210953_200011216223 [0,2,0,0,0,0|2,0,0]=4 18005 B11R0.164 CCCCC(CC)NCC(C)O 270004a_100000210904_100000753412 [0,2,0,0,0,0|1,0,0]=3 18006 B11R0.164 CCCCC(CC)NCC(C)O 34a_100000210904_200011216223 [0,2,0,0,0,0|1,0,0]=3 18007 B11R0.164 CCCCC(CC)OCC(C)Br 34a_100012180447_200011216223 [0,2,0,0,0,0|2,0,0]=4 18008 B11R0.164 CCCCC(CC)OCC(C)C 34a_100000210257_200011216223 [0,2,0,0,0,0|2,0,0]=4 18009 B11R0.164 CCCCC(CC)OCC(C)C 34a_100011215227_100000210624 [0,2,0,0,0,0|2,0,0]=4 18010 B11R0.164 CCCCC(CC)OCC(C)C 7a_100011215227_100000210760 [0,2,0,0,0,0|2,0,0]=4 18011 B11R0.164 CCCCC(CC)OCC(C)F 34a_100015925927_200011216223 [0,2,0,0,0,0|2,0,0]=4 18012 B11R0.164 CCCCC(CC)OCC(C)O 34a_100011215227_100011218427 [0,2,0,0,0,0|1,0,0]=3 18013 B11R0.164 CCCCC(CC)OCC(C)O 7a_100011215227_100011218427 [0,2,0,0,0,0|1,0,0]=3 18014 B11R0.164 CCCCC(CC)OC[C@@H](C)Cl 34a_100016084084_200011216223 [0,2,0,0,0,0|2,0,0]=4 18015 B11R0.164 CCCCC(CC)OC[C@@H](C)N 34a_100000737577_200011216223 [0,2,0,0,0,0|2,0,0]=4 18016 B11R0.164 CCCCC(CC)OC[C@@H](C)O 34a_100011215227_100009817552 [0,2,0,0,0,0|1,0,0]=3 18017 B11R0.164 CCCCC(CC)OC[C@@H](C)O 7a_100011215227_100009817552 [0,2,0,0,0,0|1,0,0]=3 18018 B11R0.164 CCCCC(CC)SCC(C)C 62a_100000210624_200011216223 [0,2,0,0,0,0|2,0,0]=4 18019 B11R0.164 CCCCC(CC)SCC(C)C 62a_200011216223_100000210760 [0,2,0,0,0,0|2,0,0]=4 18020 B11R0.164 CCCCC(CC)SCC(C)O 62a_100011218427_200011216223 [0,2,0,0,0,0|1,0,0]=3 18021 B11R0.164 CCCCC(CC)SCC(C)O 62a_200011216223_100011218427 [0,2,0,0,0,0|1,0,0]=3 18022 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_100009817552_200011216223 [0,2,0,0,0,0|1,0,0]=3 18023 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_200011216223_100009817552 [0,2,0,0,0,0|1,0,0]=3 18024 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207693_100000210211 [0,2,0,0,0,0|2,0,0]=4 18025 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207695_100000210312 [0,2,0,0,0,0|2,0,0]=4 18026 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207693_100000210211 [0,2,0,0,0,0|2,0,0]=4 18027 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207695_100000210312 [0,2,0,0,0,0|2,0,0]=4 18028 B11R0.164 CCCCN(CC)CCC(C)O 2230a_100000207695_100012276601 [0,2,0,0,0,0|1,0,0]=3 18029 B11R0.164 CCCCN(CC)CCC(C)O 269982a_100000207695_100012276601 [0,2,0,0,0,0|1,0,0]=3 18030 B11R0.164 CCCC[C@@H](CO)NCC(C)C 2230a_100011934283_100000210760 [0,2,0,0,0,0|2,0,0]=4 18031 B11R0.164 CCCC[C@@H](CO)NCC(C)C 270004a_100011934283_100000210432 [0,2,0,0,0,0|2,0,0]=4 18032 B11R0.164 CCCC[C@@H](CO)NCC(C)C 34a_100011934283_100000210624 [0,2,0,0,0,0|2,0,0]=4 18033 B11R0.164 CCCC[C@@H](CO)NCC(C)O 2230a_100011934283_100011218427 [0,2,0,0,0,0|1,0,0]=3 18034 B11R0.164 CCCC[C@@H](CO)NCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|1,0,0]=3 18035 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 2230a_100011934283_100009817552 [0,2,0,0,0,0|1,0,0]=3 18036 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|1,0,0]=3 18037 B11R0.164 CCCOC(CC)CCC(C)C 34a_100011216567_100000210303 [0,2,0,0,0,0|2,0,0]=4 18038 B11R0.164 CCCOC(CC)CCC(C)C 7a_100011216567_100000210303 [0,2,0,0,0,0|2,0,0]=4 18039 B11R0.164 CCN(CCOC)CCC(C)O 2230a_100000731262_100012276601 [0,2,0,0,0,0|2,0,0]=4 18040 B11R0.164 CCN(CCOC)CCC(C)O 269982a_100000731262_100012276601 [0,2,0,0,0,0|2,0,0]=4 18041 B11R0.164 CCOCC(CN)OCC(C)O 34a_102515437182_100011218427 [0,2,0,0,0,0|2,0,0]=4 18042 B11R0.164 CCOCC(CN)OC[C@@H](C)O 34a_102515437182_100009817552 [0,2,0,0,0,0|2,0,0]=4 18043 B11R0.164 CSCC[C@@H](CO)NCC(C)O 2230a_100011827619_100011218427 [0,2,0,0,0,0|2,0,0]=4 18044 B11R0.164 CSCC[C@@H](CO)NC[C@@H](C)O 2230a_100011827619_100009817552 [0,2,0,0,0,0|2,0,0]=4 18045 B11R0.219 CC(O)COC(C)(C)CCCBr 7a_100009888830_100011218427 [0,2,0,0,0,0|2,0,0]=4 18046 B11R0.219 CCCCC(C)(C)COC(C)C 7a_200011995781_100000210206 [0,2,0,0,0,0|2,0,0]=4 18047 B11R0.219 CCCCC(C)(C)OCC(C)C 7a_100011219641_100000210760 [0,2,0,0,0,0|2,0,0]=4 18048 B11R0.219 CCCCC(C)(C)OCC(C)O 7a_100011219641_100011218427 [0,2,0,0,0,0|1,0,0]=3 18049 B11R0.219 CCCCC(C)(C)OC[C@@H](C)O 7a_100011219641_100009817552 [0,2,0,0,0,0|1,0,0]=3 18050 B11R0.219 CCCCS(=O)(=O)NCC(C)O 270084a_100000210904_100000212082 [0,2,0,0,0,0|2,0,0]=4 18051 B11R0.219 CCCCS(=O)(=O)NCC(C)O 274078a_100000210904_100000212082 [0,2,0,0,0,0|2,0,0]=4 18052 B11R0.219 CCCCS(=O)(=O)NCC(C)O 40a_100000210904_100000054263 [0,2,0,0,0,0|2,0,0]=4 18053 B11R0.219 CCCOC(C)(C)CCC(C)C 34a_100000210258_200000037585 [0,2,0,0,0,0|2,0,0]=4 18054 B11R0.219 CCCOC(C)(C)CCC(C)C 7a_200011218267_100000210303 [0,2,0,0,0,0|2,0,0]=4 18055 B11R0.219 CCCSC(C)(C)CCC(C)C 62a_100000210303_200000037585 [0,2,0,0,0,0|2,0,0]=4 18056 B11R0.219 CCCSC(C)(C)CCC(C)C 62a_200000037585_100000210303 [0,2,0,0,0,0|2,0,0]=4 18057 B11R0.219 C[C@@H](O)COC(C)(C)CCCBr 7a_100009888830_100009817552 [0,2,0,0,0,0|2,0,0]=4 18058 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 18059 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [1,0,0,1,0,0|2,0,0]=4 18060 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 18061 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [1,0,0,1,0,0|2,0,0]=4 18062 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [1,0,0,1,0,0|2,0,0]=4 18063 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [1,0,0,1,0,0|2,0,0]=4 18064 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 18065 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 18066 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 18067 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 18068 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 18069 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 18070 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,0]=3 18071 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 18072 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 18073 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,1,0,0|2,0,0]=4 18074 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 18075 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [1,0,0,1,0,0|2,0,0]=4 18076 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [1,0,0,1,0,0|2,0,0]=4 18077 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 18078 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [1,0,0,1,0,0|2,0,0]=4 18079 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 18080 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 18081 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [1,0,0,1,0,0|2,0,0]=4 18082 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 18083 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 18084 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,0]=3 18085 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 18086 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,0]=3 18087 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,1,0,0|2,0,0]=4 18088 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,1,0,0|2,0,0]=4 18089 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [1,0,0,1,0,0|2,0,0]=4 18090 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [1,0,0,1,0,0|2,0,0]=4 18091 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 18092 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [1,0,0,1,0,0|2,0,0]=4 18093 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 18094 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,0]=3 18095 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,0]=3 18096 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,1,0,0|2,0,0]=4 18097 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [1,0,0,1,0,0|2,0,0]=4 18098 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [1,0,0,1,0,0|2,0,0]=4 18099 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|1,0,0]=3 18100 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|1,0,0]=3 18101 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|1,0,0]=3 18102 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|1,0,0]=3 18103 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|1,0,0]=3 18104 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|1,0,0]=3 18105 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 18106 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 18107 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 18108 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,0]=3 18109 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 18110 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [1,0,0,1,0,0|2,0,0]=4 18111 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [1,0,0,1,0,0|2,0,0]=4 18112 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [1,0,0,1,0,0|2,0,0]=4 18113 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [1,0,0,1,0,0|2,0,0]=4 18114 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [1,0,0,1,0,0|2,0,0]=4 18115 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 18116 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 18117 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [1,0,0,1,0,0|2,0,0]=4 18118 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 18119 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [1,0,0,1,0,0|2,0,0]=4 18120 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 18121 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 18122 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [1,0,0,1,0,0|2,0,0]=4 18123 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [1,0,0,1,0,0|2,0,0]=4 18124 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 18125 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 18126 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 18127 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|1,0,0]=3 18128 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|1,0,0]=3 18129 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|1,0,0]=3 18130 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 18131 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 18132 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,0]=3 18133 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 18134 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,0,0,1,0,0|2,0,0]=4 18135 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,0,0,1,0,0|2,0,0]=4 18136 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,0,0,1,0,0|2,0,0]=4 18137 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [1,0,0,1,0,0|2,0,0]=4 18138 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [1,0,0,1,0,0|2,0,0]=4 18139 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [1,0,0,1,0,0|2,0,0]=4 18140 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 18141 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 18142 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,0,0,1,0,0|2,0,0]=4 18143 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,1,0,0|2,0,0]=4 18144 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|1,0,0]=3 18145 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|1,0,0]=3 18146 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,0]=3 18147 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,0]=3 18148 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [1,0,0,1,0,0|2,0,0]=4 18149 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [1,0,0,1,0,0|2,0,0]=4 18150 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [1,0,0,1,0,0|2,0,0]=4 18151 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [1,0,0,1,0,0|2,0,0]=4 18152 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|2,0,0]=4 18153 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 18154 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 18155 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,1,0,0|2,0,0]=4 18156 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,0,0,1,0,0|2,0,0]=4 18157 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,0,0,1,0,0|2,0,0]=4 18158 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 18159 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 18160 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 18161 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 18162 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 18163 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 18164 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 18165 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 18166 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|1,0,0]=3 18167 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|1,0,0]=3 18168 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 18169 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 18170 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [1,0,0,1,0,0|2,0,0]=4 18171 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [1,0,0,1,0,0|2,0,0]=4 18172 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 18173 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 18174 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 18175 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 18176 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 18177 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 18178 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|1,0,0]=3 18179 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|1,0,0]=3 18180 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 18181 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 18182 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 18183 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,0,0,1,0,0|2,0,0]=4 18184 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,0,0,1,0,0|2,0,0]=4 18185 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [1,0,0,1,0,0|2,0,0]=4 18186 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [1,0,0,1,0,0|2,0,0]=4 18187 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 18188 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 18189 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,0,0,1,0,0|2,0,0]=4 18190 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,1,0,0|2,0,0]=4 18191 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|1,0,0]=3 18192 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|1,0,0]=3 18193 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,0]=3 18194 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,0]=3 18195 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [1,0,0,1,0,0|2,0,0]=4 18196 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [1,0,0,1,0,0|2,0,0]=4 18197 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [1,0,0,1,0,0|2,0,0]=4 18198 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [1,0,0,1,0,0|2,0,0]=4 18199 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|2,0,0]=4 18200 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|1,0,0]=3 18201 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|1,0,0]=3 18202 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 18203 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 18204 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,0]=3 18205 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,0]=3 18206 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,0]=3 18207 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,1,0,0|2,0,0]=4 18208 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [1,0,0,1,0,0|2,0,0]=4 18209 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,1,0,0|2,0,0]=4 18210 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 18211 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 18212 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|1,0,0]=3 18213 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|1,0,0]=3 18214 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|1,0,0]=3 18215 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,0]=3 18216 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,1,0,0|2,0,0]=4 18217 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,0,0,1,0,0|2,0,0]=4 18218 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,1,0,0|2,0,0]=4 18219 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|1,0,0]=3 18220 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|1,0,0]=3 18221 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,1,0,0|2,0,0]=4 18222 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 18223 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,0]=3 18224 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,0]=3 18225 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 18226 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,0]=3 18227 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 18228 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,0,0,1,0,0|2,0,0]=4 18229 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 18230 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 18231 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|2,0,0]=4 18232 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 18233 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 18234 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 18235 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 18236 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,0]=3 18237 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 18238 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 18239 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 18240 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,1,0,0|2,0,0]=4 18241 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,1,0,0|2,0,0]=4 18242 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,1,0,0|2,0,0]=4 18243 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 18244 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|2,0,0]=4 18245 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|2,0,0]=4 18246 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [1,0,0,1,0,0|2,0,0]=4 18247 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 18248 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,0]=3 18249 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,0]=3 18250 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,0]=3 18251 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,0]=3 18252 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,0,0,1,0,0|2,0,0]=4 18253 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,0,0,1,0,0|2,0,0]=4 18254 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|2,0,0]=4 18255 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|2,0,0]=4 18256 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|1,0,0]=3 18257 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|1,0,0]=3 18258 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|1,0,0]=3 18259 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|1,0,0]=3 18260 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|1,0,0]=3 18261 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 18262 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 18263 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 18264 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,1,0,0|2,0,0]=4 18265 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 18266 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [1,0,0,1,0,0|2,0,0]=4 18267 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|1,0,0]=3 18268 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|1,0,0]=3 18269 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|1,0,0]=3 18270 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,0,0,1,0,0|2,0,0]=4 18271 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,0,0,1,0,0|2,0,0]=4 18272 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,1,0,0|2,0,0]=4 18273 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [1,0,0,1,0,0|2,0,0]=4 18274 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [1,0,0,1,0,0|2,0,0]=4 18275 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [1,0,0,1,0,0|2,0,0]=4 18276 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [1,0,0,1,0,0|2,0,0]=4 18277 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [1,0,0,1,0,0|2,0,0]=4 18278 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|1,0,0]=3 18279 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|1,0,0]=3 18280 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,1,0,0|2,0,0]=4 18281 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [1,0,0,1,0,0|2,0,0]=4 18282 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [1,0,0,1,0,0|2,0,0]=4 18283 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [1,0,0,1,0,0|2,0,0]=4 18284 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [1,0,0,1,0,0|2,0,0]=4 18285 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [1,0,0,1,0,0|2,0,0]=4 18286 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [1,0,0,1,0,0|2,0,0]=4 18287 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [1,0,0,1,0,0|2,0,0]=4 18288 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,1,0,0|2,0,0]=4 18289 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [1,0,0,1,0,0|2,0,0]=4 18290 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [1,0,0,1,0,0|2,0,0]=4 18291 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 18292 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 18293 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 18294 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 18295 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [1,0,0,1,0,0|2,0,0]=4 18296 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 18297 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 18298 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,1,0,0|2,0,0]=4 18299 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [1,0,0,1,0,0|2,0,0]=4 18300 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [1,0,0,1,0,0|2,0,0]=4 18301 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|2,0,0]=4 18302 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,1,0,0|2,0,0]=4 18303 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 18304 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 18305 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 18306 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 18307 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [1,0,0,1,0,0|2,0,0]=4 18308 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [1,0,0,1,0,0|2,0,0]=4 18309 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,1,0,0|2,0,0]=4 18310 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,1,0,0|2,0,0]=4 18311 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|2,0,0]=4 18312 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,0]=3 18313 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,0]=3 18314 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [1,0,0,1,0,0|2,0,0]=4 18315 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [1,0,0,1,0,0|2,0,0]=4 18316 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 18317 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,0]=3 18318 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,0]=3 18319 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 18320 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,0]=3 18321 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [1,0,0,1,0,0|2,0,0]=4 18322 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [1,0,0,1,0,0|2,0,0]=4 18323 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [1,0,0,1,0,0|2,0,0]=4 18324 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [1,0,0,1,0,0|2,0,0]=4 18325 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [1,0,0,1,0,0|2,0,0]=4 18326 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 18327 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 18328 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 18329 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 18330 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|2,0,0]=4 18331 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|2,0,0]=4 18332 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|2,0,0]=4 18333 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,0]=3 18334 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,0]=3 18335 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [1,0,0,1,0,0|2,0,0]=4 18336 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|1,0,0]=3 18337 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|1,0,0]=3 18338 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 18339 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 18340 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|1,0,0]=3 18341 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|1,0,0]=3 18342 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,0,0,1,0,0|2,0,0]=4 18343 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,0,0,1,0,0|2,0,0]=4 18344 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|1,0,0]=3 18345 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|1,0,0]=3 18346 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,1,0,0|2,0,0]=4 18347 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [1,0,0,1,0,0|2,0,0]=4 18348 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [1,0,0,1,0,0|2,0,0]=4 18349 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|1,0,0]=3 18350 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|1,0,0]=3 18351 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 18352 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,0]=3 18353 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 18354 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 18355 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 18356 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 18357 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,0]=3 18358 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 18359 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 18360 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 18361 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|1,0,0]=3 18362 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|1,0,0]=3 18363 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|1,0,0]=3 18364 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|1,0,0]=3 18365 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 18366 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 18367 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,0,0,1,0,0|2,0,0]=4 18368 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [1,0,0,1,0,0|2,0,0]=4 18369 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 18370 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 18371 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 18372 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 18373 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 18374 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 18375 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 18376 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,0]=3 18377 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 18378 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 18379 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [1,0,0,1,0,0|2,0,0]=4 18380 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 18381 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [1,0,0,1,0,0|2,0,0]=4 18382 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [1,0,0,1,0,0|2,0,0]=4 18383 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [1,0,0,1,0,0|2,0,0]=4 18384 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [1,0,0,1,0,0|2,0,0]=4 18385 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [1,0,0,1,0,0|2,0,0]=4 18386 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [1,0,0,1,0,0|2,0,0]=4 18387 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 18388 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 18389 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 18390 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 18391 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 18392 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 18393 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|1,0,0]=3 18394 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|1,0,0]=3 18395 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|1,0,0]=3 18396 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|1,0,0]=3 18397 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|2,0,0]=4 18398 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,0]=3 18399 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [1,0,0,1,0,0|2,0,0]=4 18400 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [1,0,0,1,0,0|2,0,0]=4 18401 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 18402 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 18403 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 18404 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,0,0,1,0,0|2,0,0]=4 18405 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|1,0,0]=3 18406 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|1,0,0]=3 18407 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 18408 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 18409 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,0,0,1,0,0|2,0,0]=4 18410 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,0]=3 18411 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [1,0,0,1,0,0|2,0,0]=4 18412 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,0,0,1,0,0|2,0,0]=4 18413 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 18414 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 18415 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,0,0,1,0,0|2,0,0]=4 18416 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,0,0,1,0,0|2,0,0]=4 18417 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,0,0,1,0,0|2,0,0]=4 18418 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,0]=3 18419 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,0]=3 18420 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 18421 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 18422 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 18423 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 18424 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 18425 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 18426 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 18427 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 18428 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 18429 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,0,0,1,0,0|2,0,0]=4 18430 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 18431 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 18432 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 18433 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 18434 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,0,0,1,0,0|2,0,0]=4 18435 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,0,0,1,0,0|2,0,0]=4 18436 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,0,0,1,0,0|2,0,0]=4 18437 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,0]=3 18438 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,0]=3 18439 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 18440 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 18441 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 18442 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 18443 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [1,0,0,1,0,0|2,0,0]=4 18444 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [1,0,0,1,0,0|2,0,0]=4 18445 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [1,0,0,1,0,0|2,0,0]=4 18446 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|1,0,0]=3 18447 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|1,0,0]=3 18448 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [1,0,0,1,0,0|2,0,0]=4 18449 B9R1.16 OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000230001 [1,0,0,1,0,0|2,0,0]=4 18450 B9R1.16 OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000230001 [1,0,0,1,0,0|2,0,0]=4 18451 B9R1.16 OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000230001 [1,0,0,1,0,0|2,0,0]=4 18452 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [1,0,0,1,0,0|2,0,0]=4 18453 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|2,0,0]=4 18454 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 18455 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,0]=3 18456 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [1,0,0,1,0,0|1,0,0]=3 18457 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [1,0,0,1,0,0|1,0,0]=3 18458 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [1,0,0,1,0,0|1,0,0]=3 18459 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [1,0,0,1,0,0|2,0,0]=4 18460 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [1,0,0,1,0,0|2,0,0]=4 18461 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|1,0,0]=3 18462 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|1,0,0]=3 18463 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [1,0,0,1,0,0|2,0,0]=4 18464 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [1,0,0,1,0,0|2,0,0]=4 18465 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [1,0,0,1,0,0|2,0,0]=4 18466 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [1,0,0,1,0,0|1,0,0]=3 18467 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [1,0,0,1,0,0|2,0,0]=4 18468 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,0]=3 18469 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,0]=3 18470 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,0]=3 18471 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [1,0,0,1,0,0|2,0,0]=4 18472 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [1,0,0,1,0,0|2,0,0]=4 18473 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,0]=3 18474 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,0]=3 18475 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|1,0,0]=3 18476 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|1,0,0]=3 18477 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,0]=3 18478 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,0]=3 18479 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [1,0,0,1,0,0|2,0,0]=4 18480 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [1,0,0,1,0,0|2,0,0]=4 18481 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [1,0,0,1,0,0|2,0,0]=4 18482 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|1,0,0]=3 18483 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|1,0,0]=3 18484 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,0]=3 18485 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,0]=3 18486 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [1,0,0,1,0,0|2,0,0]=4 18487 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [1,0,0,1,0,0|2,0,0]=4 18488 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|2,0,0]=4 18489 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|2,0,0]=4 18490 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [1,0,0,1,0,0|2,0,0]=4 18491 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [1,0,0,1,0,0|2,0,0]=4 18492 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [1,0,0,1,0,0|2,0,0]=4 18493 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [1,0,0,1,0,0|2,0,0]=4 18494 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [1,0,0,1,0,0|2,0,0]=4 18495 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [1,0,0,1,0,0|2,0,0]=4 18496 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [1,0,0,1,0,0|2,0,0]=4 18497 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [1,0,0,1,0,0|2,0,0]=4 18498 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [1,0,0,1,0,0|2,0,0]=4 18499 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [1,0,0,1,0,0|2,0,0]=4 18500 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [1,0,0,1,0,0|2,0,0]=4 18501 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [1,0,0,1,0,0|2,0,0]=4 18502 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [1,0,0,1,0,0|2,0,0]=4 18503 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [1,0,0,1,0,0|2,0,0]=4 18504 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [1,0,0,1,0,0|2,0,0]=4 18505 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [1,0,0,1,0,0|2,0,0]=4 18506 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [1,0,0,1,0,0|2,0,0]=4 18507 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [1,0,0,1,0,0|2,0,0]=4 18508 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [1,0,0,1,0,0|2,0,0]=4 18509 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [1,0,0,1,0,0|2,0,0]=4 18510 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [1,0,0,1,0,0|2,0,0]=4 18511 B9R1.17 CSCNCC1CCC1 2230a_100000738700_100011218213 [1,0,0,1,0,0|2,0,0]=4 18512 B9R1.17 CSCNCC1CCC1 34a_100000738700_100011218213 [1,0,0,1,0,0|2,0,0]=4 18513 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [1,0,0,1,0,0|2,0,0]=4 18514 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [1,0,0,1,0,0|2,0,0]=4 18515 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [1,0,0,1,0,0|2,0,0]=4 18516 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [1,0,0,1,0,0|2,0,0]=4 18517 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [1,0,0,1,0,0|2,0,0]=4 18518 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [1,0,0,1,0,0|2,0,0]=4 18519 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [1,0,0,1,0,0|2,0,0]=4 18520 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [1,0,0,1,0,0|2,0,0]=4 18521 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [1,0,0,1,0,0|2,0,0]=4 18522 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [1,0,0,1,0,0|2,0,0]=4 18523 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 18524 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [1,0,0,1,0,0|2,0,0]=4 18525 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 18526 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [1,0,0,1,0,0|2,0,0]=4 18527 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [1,0,0,1,0,0|2,0,0]=4 18528 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [1,0,0,1,0,0|2,0,0]=4 18529 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [1,0,0,1,0,0|2,0,0]=4 18530 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 18531 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [1,0,0,1,0,0|2,0,0]=4 18532 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [1,0,0,1,0,0|2,0,0]=4 18533 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 18534 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [1,0,0,1,0,0|2,0,0]=4 18535 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 18536 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 18537 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|2,0,0]=4 18538 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [1,0,0,1,0,0|2,0,0]=4 18539 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [1,0,0,1,0,0|2,0,0]=4 18540 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [1,0,0,1,0,0|2,0,0]=4 18541 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [1,0,0,1,0,0|2,0,0]=4 18542 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [1,0,0,1,0,0|2,0,0]=4 18543 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [1,0,0,1,0,0|2,0,0]=4 18544 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|2,0,0]=4 18545 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [1,0,0,1,0,0|2,0,0]=4 18546 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,0]=3 18547 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,0]=3 18548 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,0]=3 18549 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,0]=3 18550 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [1,0,0,1,0,0|2,0,0]=4 18551 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,0]=3 18552 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [1,0,0,1,0,0|2,0,0]=4 18553 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,0]=3 18554 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [1,0,0,1,0,0|2,0,0]=4 18555 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 18556 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,0]=3 18557 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,0]=3 18558 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 18559 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,0]=3 18560 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [1,0,0,1,0,0|2,0,0]=4 18561 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [1,0,0,1,0,0|2,0,0]=4 18562 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 18563 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [1,0,0,1,0,0|2,0,0]=4 18564 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 18565 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [1,0,0,1,0,0|2,0,0]=4 18566 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 18567 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 18568 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,0]=3 18569 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|2,0,0]=4 18570 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [1,0,0,1,0,0|2,0,0]=4 18571 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [1,0,0,1,0,0|2,0,0]=4 18572 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,0]=3 18573 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,0]=3 18574 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [1,0,0,1,0,0|2,0,0]=4 18575 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 18576 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [1,0,0,1,0,0|2,0,0]=4 18577 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [1,0,0,1,0,0|2,0,0]=4 18578 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 18579 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 18580 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 18581 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 18582 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 18583 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,0]=3 18584 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,0]=3 18585 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 18586 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 18587 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 18588 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 18589 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 18590 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 18591 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,0]=3 18592 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [1,0,0,1,0,0|2,0,0]=4 18593 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 18594 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 18595 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 18596 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|2,0,0]=4 18597 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 18598 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 18599 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [1,0,0,1,0,0|2,0,0]=4 18600 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|2,0,0]=4 18601 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|2,0,0]=4 18602 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,0]=3 18603 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,0]=3 18604 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [1,0,0,1,0,0|2,0,0]=4 18605 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [1,0,0,1,0,0|2,0,0]=4 18606 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [1,0,0,1,0,0|2,0,0]=4 18607 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [1,0,0,1,0,0|2,0,0]=4 18608 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [1,0,0,1,0,0|2,0,0]=4 18609 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [1,0,0,1,0,0|2,0,0]=4 18610 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 18611 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 18612 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 18613 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 18614 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 18615 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 18616 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [1,0,0,1,0,0|2,0,0]=4 18617 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [1,0,0,1,0,0|2,0,0]=4 18618 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 18619 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 18620 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 18621 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 18622 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 18623 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 18624 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 18625 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 18626 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 18627 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 18628 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 18629 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 18630 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 18631 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [1,0,0,1,0,0|2,0,0]=4 18632 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [1,0,0,1,0,0|2,0,0]=4 18633 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 18634 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 18635 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,0]=3 18636 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,0]=3 18637 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [1,0,0,1,0,0|1,0,0]=3 18638 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [1,0,0,1,0,0|1,0,0]=3 18639 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|2,0,0]=4 18640 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [1,0,0,1,0,0|2,0,0]=4 18641 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [1,0,0,1,0,0|2,0,0]=4 18642 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [1,0,0,1,0,0|2,0,0]=4 18643 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [1,0,0,1,0,0|2,0,0]=4 18644 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 18645 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 18646 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 18647 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 18648 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 18649 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 18650 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [1,0,0,1,0,0|2,0,0]=4 18651 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [1,0,0,1,0,0|2,0,0]=4 18652 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [1,0,0,1,0,0|2,0,0]=4 18653 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|2,0,0]=4 18654 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 18655 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,0]=3 18656 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|1,0,0]=3 18657 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|1,0,0]=3 18658 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [1,0,0,1,0,0|1,0,0]=3 18659 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [1,0,0,1,0,0|1,0,0]=3 18660 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [1,0,0,1,0,0|1,0,0]=3 18661 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [1,0,0,1,0,0|1,0,0]=3 18662 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [1,0,0,1,0,0|1,0,0]=3 18663 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,0]=3 18664 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,0]=3 18665 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [1,0,0,1,0,0|1,1,0]=4 18666 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,0]=3 18667 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|1,0,0]=3 18668 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|1,0,0]=3 18669 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|1,0,0]=3 18670 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 18671 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 18672 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [1,0,0,1,0,0|1,1,0]=4 18673 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,0]=3 18674 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,0]=3 18675 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [1,0,0,1,0,0|1,0,0]=3 18676 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [1,0,0,1,0,0|1,0,0]=3 18677 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,0]=3 18678 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,0]=3 18679 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [1,0,0,1,0,0|1,1,0]=4 18680 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [1,0,0,1,0,0|1,1,0]=4 18681 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,0]=3 18682 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,0]=3 18683 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,0]=3 18684 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|1,0,0]=3 18685 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|1,0,0]=3 18686 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|1,0,0]=3 18687 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,0]=3 18688 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,0]=3 18689 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|1,0,0]=3 18690 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|1,0,0]=3 18691 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,0]=3 18692 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,0]=3 18693 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,0]=3 18694 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,0]=3 18695 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|2,0,0]=4 18696 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|2,0,0]=4 18697 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|2,0,0]=4 18698 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|2,0,0]=4 18699 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|2,0,0]=4 18700 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [1,0,0,1,0,0|2,0,0]=4 18701 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [1,0,0,1,0,0|2,0,0]=4 18702 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [1,0,0,1,0,0|2,0,0]=4 18703 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [1,0,0,1,0,0|2,0,0]=4 18704 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [1,0,0,1,0,0|2,0,0]=4 18705 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [1,0,0,1,0,0|2,0,0]=4 18706 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,0]=3 18707 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,0]=3 18708 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [1,0,0,1,0,0|2,0,0]=4 18709 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [1,0,0,1,0,0|2,0,0]=4 18710 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [1,0,0,1,0,0|2,0,0]=4 18711 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [1,0,0,1,0,0|2,0,0]=4 18712 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [1,0,0,1,0,0|2,0,0]=4 18713 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [1,0,0,1,0,0|2,0,0]=4 18714 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [1,0,0,1,0,0|2,0,0]=4 18715 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [1,0,0,1,0,0|2,0,0]=4 18716 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [1,0,0,1,0,0|2,0,0]=4 18717 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [1,0,0,1,0,0|2,0,0]=4 18718 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [1,0,0,1,0,0|2,0,0]=4 18719 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [1,0,0,1,0,0|2,0,0]=4 18720 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [1,0,0,1,0,0|2,0,0]=4 18721 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [1,0,0,1,0,0|2,0,0]=4 18722 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [1,0,0,1,0,0|2,0,0]=4 18723 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [1,0,0,1,0,0|2,0,0]=4 18724 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [1,0,0,1,0,0|2,0,0]=4 18725 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [1,0,0,1,0,0|2,0,0]=4 18726 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [1,0,0,1,0,0|2,0,0]=4 18727 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [1,0,0,1,0,0|2,0,0]=4 18728 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [1,0,0,1,0,0|2,0,0]=4 18729 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [1,0,0,1,0,0|2,0,0]=4 18730 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [1,0,0,1,0,0|2,0,0]=4 18731 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [1,0,0,1,0,0|2,0,0]=4 18732 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [1,0,0,1,0,0|2,0,0]=4 18733 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [1,0,0,1,0,0|2,0,0]=4 18734 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [1,0,0,1,0,0|2,0,0]=4 18735 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [1,0,0,1,0,0|2,0,0]=4 18736 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [1,0,0,1,0,0|2,0,0]=4 18737 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [1,0,0,1,0,0|2,0,0]=4 18738 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [1,0,0,1,0,0|2,0,0]=4 18739 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [1,0,0,1,0,0|2,0,0]=4 18740 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [1,0,0,1,0,0|2,0,0]=4 18741 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [1,0,0,1,0,0|2,0,0]=4 18742 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [1,0,0,1,0,0|2,0,0]=4 18743 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [1,0,0,1,0,0|2,0,0]=4 18744 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 18745 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 18746 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [1,0,0,1,0,0|2,0,0]=4 18747 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [1,0,0,1,0,0|2,0,0]=4 18748 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [1,0,0,1,0,0|2,0,0]=4 18749 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [1,0,0,1,0,0|2,0,0]=4 18750 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [1,0,0,1,0,0|2,0,0]=4 18751 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [1,0,0,1,0,0|2,0,0]=4 18752 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [1,0,0,1,0,0|2,0,0]=4 18753 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [1,0,0,1,0,0|2,0,0]=4 18754 B9R1.83 CSCNCCC1CC1 34a_100000764129_100011218213 [1,0,0,1,0,0|2,0,0]=4 18755 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [1,0,0,1,0,0|2,0,0]=4 18756 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [1,0,0,1,0,0|2,0,0]=4 18757 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [1,0,0,1,0,0|2,0,0]=4 18758 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [1,0,0,1,0,0|2,0,0]=4 18759 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [1,0,0,1,0,0|2,0,0]=4 18760 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [1,0,0,1,0,0|2,0,0]=4 18761 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [1,0,0,1,0,0|2,0,0]=4 18762 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [1,0,0,1,0,0|2,0,0]=4 18763 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [1,0,0,1,0,0|2,0,0]=4 18764 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [1,0,0,1,0,0|2,0,0]=4 18765 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [1,0,0,1,0,0|2,0,0]=4 18766 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [1,0,0,1,0,0|2,0,0]=4 18767 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 18768 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 18769 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [1,0,0,1,0,0|2,0,0]=4 18770 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 18771 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 18772 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [1,0,0,1,0,0|2,0,0]=4 18773 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [1,0,0,1,0,0|2,0,0]=4 18774 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [1,0,0,1,0,0|2,0,0]=4 18775 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [1,0,0,1,0,0|2,0,0]=4 18776 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [1,0,0,1,0,0|2,0,0]=4 18777 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [1,0,0,1,0,0|2,0,0]=4 18778 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [1,0,0,1,0,0|2,0,0]=4 18779 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [1,0,0,1,0,0|2,0,0]=4 18780 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [1,0,0,1,0,0|2,0,0]=4 18781 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [1,0,0,1,0,0|2,0,0]=4 18782 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [1,0,0,1,0,0|2,0,0]=4 18783 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [1,0,0,1,0,0|2,0,0]=4 18784 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [1,0,0,1,0,0|2,0,0]=4 18785 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [1,0,0,1,0,0|2,0,0]=4 18786 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [1,0,0,1,0,0|2,0,0]=4 18787 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 18788 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 18789 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [1,0,0,1,0,0|2,0,0]=4 18790 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [1,0,0,1,0,0|2,0,0]=4 18791 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [1,0,0,1,0,0|2,0,0]=4 18792 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [1,0,0,1,0,0|2,0,0]=4 18793 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [1,0,0,1,0,0|2,0,0]=4 18794 B9R1.83 FCSCCCC1CO1 62a_100000733510_100015361967 [1,0,0,1,0,0|2,0,0]=4 18795 B9R1.83 FCSCCCC1CO1 62a_100015361967_100000733510 [1,0,0,1,0,0|2,0,0]=4 18796 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [1,0,0,1,0,0|2,0,0]=4 18797 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 18798 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [1,0,0,1,0,0|2,0,0]=4 18799 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [1,0,0,1,0,0|2,0,0]=4 18800 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|2,0,0]=4 18801 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [1,0,0,1,0,0|2,0,0]=4 18802 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,0]=3 18803 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,0]=3 18804 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,0]=3 18805 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,0]=3 18806 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,0]=3 18807 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,0]=3 18808 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,0]=3 18809 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [1,0,0,1,0,0|2,0,0]=4 18810 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,0]=3 18811 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,0]=3 18812 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [1,0,0,1,0,0|2,0,0]=4 18813 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [1,0,0,1,0,0|2,0,0]=4 18814 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [1,0,0,1,0,0|2,0,0]=4 18815 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [1,0,0,1,0,0|2,0,0]=4 18816 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [1,0,0,1,0,0|2,0,0]=4 18817 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [1,0,0,1,0,0|2,0,0]=4 18818 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,0]=3 18819 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,0]=3 18820 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,0]=3 18821 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [1,0,0,1,0,0|2,0,0]=4 18822 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [1,0,0,1,0,0|2,0,0]=4 18823 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 18824 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 18825 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [1,0,0,1,0,0|2,0,0]=4 18826 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,0]=3 18827 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,0]=3 18828 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 18829 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [1,0,0,1,0,0|2,0,0]=4 18830 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 18831 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,0]=3 18832 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 18833 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 18834 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|2,0,0]=4 18835 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 18836 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|1,0,0]=3 18837 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|1,0,0]=3 18838 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|1,0,0]=3 18839 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|1,0,0]=3 18840 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,1,0,0|2,0,0]=4 18841 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|1,0,0]=3 18842 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|1,0,0]=3 18843 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|1,0,0]=3 18844 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|1,0,0]=3 18845 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|1,0,0]=3 18846 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 18847 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 18848 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|1,0,0]=3 18849 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|1,0,0]=3 18850 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|1,0,0]=3 18851 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|1,0,0]=3 18852 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|1,0,0]=3 18853 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|1,0,0]=3 18854 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,0,0,1,0,0|2,0,0]=4 18855 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,0,0,1,0,0|2,0,0]=4 18856 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,0,0,1,0,0|2,0,0]=4 18857 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [1,0,0,1,0,0|2,0,0]=4 18858 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [1,0,0,1,0,0|2,0,0]=4 18859 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [1,0,0,1,0,0|2,0,0]=4 18860 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [1,0,0,1,0,0|1,0,0]=3 18861 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [1,0,0,1,0,0|1,0,0]=3 18862 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [1,0,0,1,0,0|2,0,0]=4 18863 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [1,0,0,1,0,0|2,0,0]=4 18864 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [1,0,0,1,0,0|2,0,0]=4 18865 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [1,0,0,1,0,0|2,0,0]=4 18866 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [1,0,0,1,0,0|2,0,0]=4 18867 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,0,0,1,0,0|2,0,0]=4 18868 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,0,0,1,0,0|2,0,0]=4 18869 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,0,0,1,0,0|2,0,0]=4 18870 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,0,0,1,0,0|1,0,0]=3 18871 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,0,0,1,0,0|1,0,0]=3 18872 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,0,0,1,0,0|2,0,0]=4 18873 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [1,0,0,1,0,0|2,0,0]=4 18874 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,0,0,1,0,0|1,0,0]=3 18875 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,2]=4 18876 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,2]=4 18877 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 18878 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 18879 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [1,0,0,1,0,0|2,0,0]=4 18880 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [1,0,0,1,0,0|2,0,0]=4 18881 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 18882 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 18883 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 18884 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 18885 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,2]=4 18886 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [1,0,0,1,0,0|1,0,0]=3 18887 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [1,0,0,1,0,0|1,0,0]=3 18888 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [1,0,0,1,0,0|2,0,0]=4 18889 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [1,0,0,1,0,0|2,0,0]=4 18890 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [1,0,0,1,0,0|2,0,0]=4 18891 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 18892 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 18893 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 18894 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [1,0,0,1,0,0|2,0,0]=4 18895 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [1,0,0,1,0,0|1,0,0]=3 18896 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [1,0,0,1,0,0|1,0,0]=3 18897 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [1,0,0,1,0,0|2,0,0]=4 18898 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [1,0,0,1,0,0|2,0,0]=4 18899 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [1,0,0,1,0,0|2,0,0]=4 18900 B9R1.7 CSCN1CCC(C1)O 2230a_100011215560_100011218213 [1,0,0,1,0,0|2,0,0]=4 18901 B9R1.7 CSCN1CCC(C1)O 269982a_100011215560_100011218213 [1,0,0,1,0,0|2,0,0]=4 18902 B9R1.7 OC1CCN(C1)CCF 2230a_100011215560_100011217306 [1,0,0,1,0,0|2,0,0]=4 18903 B9R1.7 OC1CCN(C1)CCF 269982a_100011215560_100011217306 [1,0,0,1,0,0|2,0,0]=4 18904 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [1,0,0,1,0,0|2,0,0]=4 18905 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [1,0,0,1,0,0|2,0,0]=4 18906 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [1,0,0,1,0,0|2,0,0]=4 18907 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [1,0,0,1,0,0|2,0,0]=4 18908 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [1,0,0,1,0,0|2,0,0]=4 18909 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [1,0,0,1,0,0|2,0,0]=4 18910 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [1,0,0,1,0,0|2,0,0]=4 18911 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [1,0,0,1,0,0|2,0,0]=4 18912 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [1,0,0,1,0,0|1,0,0]=3 18913 B9R1.9 CCCNC1CC(C1)F 2230a_100016993743_100000210303 [1,0,0,1,0,0|2,0,0]=4 18914 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [1,0,0,1,0,0|1,0,0]=3 18915 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [1,0,0,1,0,0|1,0,0]=3 18916 B9R1.9 CCOCC1CC(C1)Cl 34a_100009874164_100000210202 [1,0,0,1,0,0|2,0,0]=4 18917 B9R1.9 CCOCN1CC(C1)O 269982a_100000749847_100000739092 [1,0,0,1,0,0|2,0,0]=4 18918 B9R1.9 COCCN1CC(C1)O 269982a_100000749847_100000233755 [1,0,0,1,0,0|2,0,0]=4 18919 B9R1.9 COCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000766300 [1,0,0,1,0,0|2,0,0]=4 18920 B9R1.9 CSCCN1CC(C1)O 269982a_100000749847_100000212216 [1,0,0,1,0,0|2,0,0]=4 18921 B9R1.9 CSCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218213 [1,0,0,1,0,0|2,0,0]=4 18922 B9R1.9 OC1CN(C1)CCCF 269982a_100000749847_100011934791 [1,0,0,1,0,0|2,0,0]=4 18923 B9R1.9 OCCCN1CC(C1)O 269982a_100000749847_100011215043 [1,0,0,1,0,0|2,0,0]=4 18924 B9R1.9 OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211926 [1,0,0,1,0,0|2,0,0]=4 18925 B9R1.9 O[C@H]1C[C@@H](C1)NCCF 2230a_100020629032_100011217306 [1,0,0,1,0,0|2,0,0]=4 18926 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|0,0,2]=4 18927 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|0,0,2]=4 18928 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [1,0,0,1,0,0|2,0,0]=4 18929 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [1,0,0,1,0,0|2,0,0]=4 18930 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [1,0,0,1,0,0|2,0,0]=4 18931 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [1,0,0,1,0,0|2,0,0]=4 18932 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [1,0,0,1,0,0|2,0,0]=4 18933 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [1,0,0,1,0,0|2,0,0]=4 18934 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [1,0,0,1,0,0|2,0,0]=4 18935 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [1,0,0,1,0,0|2,0,0]=4 18936 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [1,0,0,1,0,0|2,0,0]=4 18937 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [1,0,0,1,0,0|2,0,0]=4 18938 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [1,0,0,1,0,0|2,0,0]=4 18939 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [1,0,0,1,0,0|2,0,0]=4 18940 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [1,0,0,1,0,0|1,0,0]=3 18941 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [1,0,0,1,0,0|1,0,0]=3 18942 B9R1.13 CC(O)CN1CCSC1 2230a_100011215254_100011218427 [1,0,0,1,0,0|2,0,0]=4 18943 B9R1.13 CC(O)CN1CCSC1 269982a_100011215254_100011218427 [1,0,0,1,0,0|2,0,0]=4 18944 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 18945 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 18946 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [1,0,0,1,0,0|1,0,0]=3 18947 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [1,0,0,1,0,0|1,0,0]=3 18948 B9R1.13 C[C@@H](O)CN1CCSC1 2230a_100011215254_100009817552 [1,0,0,1,0,0|2,0,0]=4 18949 B9R1.13 C[C@@H](O)CN1CCSC1 269982a_100011215254_100009817552 [1,0,0,1,0,0|2,0,0]=4 18950 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|0,0,2]=4 18951 B9R1.24 CC1(CCCC1O[13CH3])C 34a_100000726220_200025704644 [1,0,0,1,0,0|2,0,0]=4 18952 B9R1.24 CC1(CCCC1O[13CH3])C 7a_100000726220_200025704644 [1,0,0,1,0,0|2,0,0]=4 18953 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [1,0,0,1,0,0|2,0,0]=4 18954 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [1,0,0,1,0,0|2,0,0]=4 18955 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [1,0,0,1,0,0|2,0,0]=4 18956 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [1,0,0,1,0,0|2,0,0]=4 18957 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [1,0,0,1,0,0|1,0,0]=3 18958 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [1,0,0,1,0,0|1,0,0]=3 18959 B9R1.24 COC1CCCC1(C)C 34a_100000726220_200000210301 [1,0,0,1,0,0|2,0,0]=4 18960 B9R1.24 COC1CCCC1(C)C 7a_100000726220_200000210301 [1,0,0,1,0,0|2,0,0]=4 18961 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [1,0,0,1,0,0|1,0,0]=3 18962 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [1,0,0,1,0,0|1,0,0]=3 18963 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|0,0,2]=4 18964 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 18965 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 18966 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 18967 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 18968 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 18969 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 18970 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [1,0,0,1,0,0|2,0,0]=4 18971 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [1,0,0,1,0,0|2,0,0]=4 18972 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 18973 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 18974 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 18975 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|0,0,2]=4 18976 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [1,0,0,1,0,0|2,0,0]=4 18977 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [1,0,0,1,0,0|2,0,0]=4 18978 B9R1.46 CC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218427 [1,0,0,1,0,0|2,0,0]=4 18979 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218427 [1,0,0,1,0,0|2,0,0]=4 18980 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218427 [1,0,0,1,0,0|2,0,0]=4 18981 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817552 [1,0,0,1,0,0|2,0,0]=4 18982 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009817552 [1,0,0,1,0,0|2,0,0]=4 18983 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009817552 [1,0,0,1,0,0|2,0,0]=4 18984 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [1,0,0,1,0,0|1,0,0]=3 18985 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [1,0,0,1,0,0|1,0,0]=3 18986 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [1,0,0,1,0,0|2,0,0]=4 18987 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [1,0,0,1,0,0|2,0,0]=4 18988 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [1,0,0,1,0,0|1,0,0]=3 18989 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [1,0,0,1,0,0|1,0,0]=3 18990 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [1,0,0,1,0,0|2,0,0]=4 18991 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [1,0,0,1,0,0|2,0,0]=4 18992 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [1,0,0,1,0,0|2,0,0]=4 18993 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [1,0,0,1,0,0|2,0,0]=4 18994 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [1,0,0,1,0,0|1,0,0]=3 18995 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [1,0,0,1,0,0|1,0,0]=3 18996 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [1,0,0,1,0,0|1,0,0]=3 18997 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [1,0,0,1,0,0|1,0,0]=3 18998 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [1,0,0,1,0,0|2,0,0]=4 18999 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [1,0,0,1,0,0|2,0,0]=4 19000 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [1,0,0,1,0,0|2,0,0]=4 19001 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [1,0,0,1,0,0|2,0,0]=4 19002 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [1,0,0,1,0,0|2,0,0]=4 19003 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [1,0,0,1,0,0|2,0,0]=4 19004 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [1,0,0,1,0,0|2,0,0]=4 19005 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [1,0,0,1,0,0|2,0,0]=4 19006 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [1,0,0,1,0,0|2,0,0]=4 19007 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [1,0,0,1,0,0|2,0,0]=4 19008 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [1,0,0,1,0,0|2,0,0]=4 19009 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [1,0,0,1,0,0|2,0,0]=4 19010 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [1,0,0,1,0,0|2,0,0]=4 19011 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [1,0,0,1,0,0|2,0,0]=4 19012 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [1,0,0,1,0,0|2,0,0]=4 19013 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [1,0,0,1,0,0|2,0,0]=4 19014 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [1,0,0,1,0,0|2,0,0]=4 19015 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [1,0,0,1,0,0|2,0,0]=4 19016 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [1,0,0,1,0,0|2,0,0]=4 19017 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [1,0,0,1,0,0|2,0,0]=4 19018 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [1,0,0,1,0,0|1,0,0]=3 19019 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [1,0,0,1,0,0|1,0,0]=3 19020 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [1,0,0,1,0,0|1,0,0]=3 19021 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [1,0,0,1,0,0|1,0,0]=3 19022 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [1,0,0,1,0,0|1,0,0]=3 19023 B9R1.84 CC(O)CNC1COC1 2230a_100016991112_100011218427 [1,0,0,1,0,0|2,0,0]=4 19024 B9R1.84 CC(O)CNC1COC1 34a_100000210904_100009818527 [1,0,0,1,0,0|2,0,0]=4 19025 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [1,0,0,1,0,0|1,0,0]=3 19026 B9R1.84 CC(O)COC1CSC1 7a_100000072292_100011218427 [1,0,0,1,0,0|2,0,0]=4 19027 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [1,0,0,1,0,0|1,0,0]=3 19028 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [1,0,0,1,0,0|2,0,0]=4 19029 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [1,0,0,1,0,0|2,0,0]=4 19030 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [1,0,0,1,0,0|2,0,0]=4 19031 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [1,0,0,1,0,0|1,0,0]=3 19032 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [1,0,0,1,0,0|1,0,0]=3 19033 B9R1.84 C[C@@H](O)CNC1COC1 2230a_100016991112_100009817552 [1,0,0,1,0,0|2,0,0]=4 19034 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [1,0,0,1,0,0|1,0,0]=3 19035 B9R1.84 C[C@@H](O)COC1CSC1 7a_100000072292_100009817552 [1,0,0,1,0,0|2,0,0]=4 19036 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [1,0,0,1,0,0|1,0,0]=3 19037 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [1,0,0,1,0,0|2,0,0]=4 19038 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [1,0,0,1,0,0|2,0,0]=4 19039 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [1,0,0,1,0,0|2,0,0]=4 19040 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [1,0,0,1,0,0|2,0,0]=4 19041 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [1,0,0,1,0,0|2,0,0]=4 19042 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [1,0,0,1,0,0|2,0,0]=4 19043 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [1,0,0,1,0,0|2,0,0]=4 19044 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [1,0,0,1,0,0|2,0,0]=4 19045 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [1,0,0,1,0,0|2,0,0]=4 19046 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [1,0,0,1,0,0|2,0,0]=4 19047 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [1,0,0,1,0,0|2,0,0]=4 19048 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [1,0,0,1,0,0|2,0,0]=4 19049 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [1,0,0,1,0,0|2,0,0]=4 19050 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [1,0,0,1,0,0|2,0,0]=4 19051 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [1,0,0,1,0,0|2,0,0]=4 19052 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [1,0,0,1,0,0|2,0,0]=4 19053 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [1,0,0,1,0,0|2,0,0]=4 19054 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [1,0,0,1,0,0|2,0,0]=4 19055 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [1,0,0,1,0,0|2,0,0]=4 19056 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [1,0,0,1,0,0|2,0,0]=4 19057 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [1,0,0,1,0,0|2,0,0]=4 19058 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [1,0,0,1,0,0|2,0,0]=4 19059 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [1,0,0,1,0,0|2,0,0]=4 19060 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [1,0,0,1,0,0|2,0,0]=4 19061 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [1,0,0,1,0,0|2,0,0]=4 19062 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [1,0,0,1,0,0|1,0,0]=3 19063 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [1,0,0,1,0,0|1,0,0]=3 19064 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [1,0,0,1,0,0|1,0,0]=3 19065 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [1,0,0,1,0,0|1,0,0]=3 19066 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [1,0,0,1,0,0|1,0,0]=3 19067 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [1,0,0,1,0,0|1,0,0]=3 19068 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [1,0,0,1,0,0|1,0,0]=3 19069 B9R1.85 CC(O)CNCC1CO1 2230a_100000210904_100011216344 [1,0,0,1,0,0|2,0,0]=4 19070 B9R1.85 CC(O)CNCC1CO1 34a_100000210904_102125554688 [1,0,0,1,0,0|2,0,0]=4 19071 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [1,0,0,1,0,0|1,0,0]=3 19072 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [1,0,0,1,0,0|2,0,0]=4 19073 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [1,0,0,1,0,0|1,0,0]=3 19074 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [1,0,0,1,0,0|1,0,0]=3 19075 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [1,0,0,1,0,0|2,0,0]=4 19076 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [1,0,0,1,0,0|2,0,0]=4 19077 B9R1.85 CC(O)CSCC1CS1 62a_100000031435_100011218427 [1,0,0,1,0,0|2,0,0]=4 19078 B9R1.85 CC(O)CSCC1CS1 62a_100011218427_100000031435 [1,0,0,1,0,0|2,0,0]=4 19079 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [1,0,0,1,0,0|2,0,0]=4 19080 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [1,0,0,1,0,0|2,0,0]=4 19081 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [1,0,0,1,0,0|2,0,0]=4 19082 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [1,0,0,1,0,0|2,0,0]=4 19083 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [1,0,0,1,0,0|2,0,0]=4 19084 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [1,0,0,1,0,0|1,0,0]=3 19085 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [1,0,0,1,0,0|1,0,0]=3 19086 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [1,0,0,1,0,0|1,0,0]=3 19087 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [1,0,0,1,0,0|2,0,0]=4 19088 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [1,0,0,1,0,0|1,0,0]=3 19089 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [1,0,0,1,0,0|1,0,0]=3 19090 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [1,0,0,1,0,0|2,0,0]=4 19091 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [1,0,0,1,0,0|2,0,0]=4 19092 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100000031435_100009817552 [1,0,0,1,0,0|2,0,0]=4 19093 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100009817552_100000031435 [1,0,0,1,0,0|2,0,0]=4 19094 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [1,0,0,1,0,0|2,0,0]=4 19095 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [1,0,0,1,0,0|2,0,0]=4 19096 B11R1.15 CC(CCO)N1CCC(C1)O 2230a_100011215560_100009893172 [0,1,0,1,0,0|2,0,0]=4 19097 B11R1.15 CC(CCO)N1CCC(C1)O 269982a_100011215560_100009893172 [0,1,0,1,0,0|2,0,0]=4 19098 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|0,0,1]=3 19099 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,1,0,1,0,0|1,0,1]=4 19100 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,1,0,1,0,0|1,0,1]=4 19101 B11R1.15 CCCC(C)N1CCC(C1)O 2230a_100011215560_100000766640 [0,1,0,1,0,0|1,0,0]=3 19102 B11R1.15 CCCC(C)N1CCC(C1)O 269982a_100011215560_100000766640 [0,1,0,1,0,0|1,0,0]=3 19103 B11R1.15 CCCC(C)N1CCC(C1)O 270004a_100011215560_100000211909 [0,1,0,1,0,0|1,0,0]=3 19104 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000766640 [0,1,0,1,0,0|2,0,0]=4 19105 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000766640 [0,1,0,1,0,0|2,0,0]=4 19106 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 270004a_100015203821_100000211909 [0,1,0,1,0,0|2,0,0]=4 19107 B11R1.15 CCCC(C)N1CC[C@@H](C1)F 34a_100015203821_100000766640 [0,1,0,1,0,0|2,0,0]=4 19108 B11R1.15 CCCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000766640 [0,1,0,1,0,0|2,0,0]=4 19109 B11R1.15 CCCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000766640 [0,1,0,1,0,0|2,0,0]=4 19110 B11R1.15 CCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000211909 [0,1,0,1,0,0|2,0,0]=4 19111 B11R1.15 CCCC(C)N1CC[C@H](C1)C 34a_100016987628_100000766640 [0,1,0,1,0,0|2,0,0]=4 19112 B11R1.15 CCCN(C)C1CCC(C1)C 270004a_100000747261_100011215218 [0,1,0,1,0,0|2,0,0]=4 19113 B11R1.15 CCCN(C)C1CCC(C1)O 270004a_100000747261_100012614533 [0,1,0,1,0,0|1,0,0]=3 19114 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,1,0,1,0,0|1,0,1]=4 19115 B11R1.15 CN(CCO)C1CCC(C1)O 270004a_100000210263_100012614533 [0,1,0,1,0,0|2,0,0]=4 19116 B11R1.15 COCC(C)N1CCC(C1)O 2230a_100011215560_100000765312 [0,1,0,1,0,0|2,0,0]=4 19117 B11R1.15 COCC(C)N1CCC(C1)O 269982a_100011215560_100000765312 [0,1,0,1,0,0|2,0,0]=4 19118 B11R1.15 COCC(C)N1CCC(C1)O 270004a_100011215560_100000749346 [0,1,0,1,0,0|2,0,0]=4 19119 B11R1.15 CSCC(C)N1CCC(C1)O 270004a_100011215560_100011216314 [0,1,0,1,0,0|2,0,0]=4 19120 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,1,0,1,0,0|1,0,1]=4 19121 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,1,0,1,0,0|1,0,1]=4 19122 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [0,1,0,1,0,0|1,0,1]=4 19123 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [0,1,0,1,0,0|1,0,1]=4 19124 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [0,1,0,1,0,0|1,0,1]=4 19125 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [0,1,0,1,0,0|1,0,1]=4 19126 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [0,1,0,1,0,0|1,0,1]=4 19127 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [0,1,0,1,0,0|1,0,1]=4 19128 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [0,1,0,1,0,0|1,0,1]=4 19129 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,1,0,0|0,0,2]=4 19130 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,1,0,0|0,0,2]=4 19131 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,1,0,0|0,0,2]=4 19132 B11R1.90 CC(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000210312 [0,1,0,1,0,0|1,0,0]=3 19133 B11R1.90 CC(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000210312 [0,1,0,1,0,0|1,0,0]=3 19134 B11R1.90 CC(C)CCN1CCC[C@H]1C 2230a_100015189458_100000210312 [0,1,0,1,0,0|1,0,0]=3 19135 B11R1.90 CC(C)CCN1CCC[C@H]1C 269982a_100015189458_100000210312 [0,1,0,1,0,0|1,0,0]=3 19136 B11R1.90 CC(C)CCN1CCC[C@H]1C 34a_100015189458_100000210312 [0,1,0,1,0,0|1,0,0]=3 19137 B11R1.90 CC(C)CCN1CCSC1C 2230a_200011216479_100000210312 [0,1,0,1,0,0|2,0,0]=4 19138 B11R1.90 CC(C)CCN1CCSC1C 269982a_200011216479_100000210312 [0,1,0,1,0,0|2,0,0]=4 19139 B11R1.90 CC(C)CCN1CCSC1C 34a_200011216479_100000210312 [0,1,0,1,0,0|2,0,0]=4 19140 B11R1.90 CC(C)CNC1CCCC1C 269862a_100000210953_100000752053 [0,1,0,1,0,0|1,0,0]=3 19141 B11R1.90 CC(C)CNC1CCOC1C 270004a_100000210953_100000691750 [0,1,0,1,0,0|2,0,0]=4 19142 B11R1.90 CC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000210432 [0,1,0,1,0,0|2,0,0]=4 19143 B11R1.90 CC(C)COC1CCCC1C 34a_100011216460_100000210624 [0,1,0,1,0,0|1,0,0]=3 19144 B11R1.90 CC(C)COC1CCCC1C 7a_100011216460_100000210760 [0,1,0,1,0,0|1,0,0]=3 19145 B11R1.90 CC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210624 [0,1,0,1,0,0|2,0,0]=4 19146 B11R1.90 CC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210624 [0,1,0,1,0,0|2,0,0]=4 19147 B11R1.90 CC(C)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000210624 [0,1,0,1,0,0|2,0,0]=4 19148 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_100000210624_200016002552 [0,1,0,1,0,0|2,0,0]=4 19149 B11R1.90 CC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210760 [0,1,0,1,0,0|2,0,0]=4 19150 B11R1.90 CC(C)OCC1CCCN1C 34a_100000743107_100000210206 [0,1,0,1,0,0|2,0,0]=4 19151 B11R1.90 CC(C)OCN1CCC[C@@H]1C 2230a_100020605311_100000709892 [0,1,0,1,0,0|2,0,0]=4 19152 B11R1.90 CC(C)OCN1CCC[C@@H]1C 269982a_100020605311_100000709892 [0,1,0,1,0,0|2,0,0]=4 19153 B11R1.90 CC(C)OCN1CCC[C@H]1C 2230a_100015189458_100000709892 [0,1,0,1,0,0|2,0,0]=4 19154 B11R1.90 CC(C)OCN1CCC[C@H]1C 269982a_100015189458_100000709892 [0,1,0,1,0,0|2,0,0]=4 19155 B11R1.90 CC(C)OCN1CCC[C@H]1C 34a_100015189458_100000709892 [0,1,0,1,0,0|2,0,0]=4 19156 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,1,0,1,0,0|0,0,0]=2 19157 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,1,0,1,0,0|0,0,0]=2 19158 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,1,0,1,0,0|0,0,0]=2 19159 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,1,0,1,0,0|0,0,0]=2 19160 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,1,0,1,0,0|0,0,0]=2 19161 B11R1.90 CC(O)CCN1CCSC1C 2230a_200011216479_100012276601 [0,1,0,1,0,0|1,0,0]=3 19162 B11R1.90 CC(O)CCN1CCSC1C 269982a_200011216479_100012276601 [0,1,0,1,0,0|1,0,0]=3 19163 B11R1.90 CC(O)CCN1CCSC1C 34a_200011216479_100012276601 [0,1,0,1,0,0|1,0,0]=3 19164 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,1,0,1,0,0|1,0,1]=4 19165 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|1,0,1]=4 19166 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,1,0,1,0,0|0,0,0]=2 19167 B11R1.90 CC(O)CNC1CCOC1C 270004a_100000210904_100000691750 [0,1,0,1,0,0|1,0,0]=3 19168 B11R1.90 CC(O)CNC1COCC1O 34a_100000210904_200000725654 [0,1,0,1,0,0|2,0,0]=4 19169 B11R1.90 CC(O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218427 [0,1,0,1,0,0|2,0,0]=4 19170 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,1,0,1,0,0|1,0,1]=4 19171 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,1,0,1,0,0|0,0,0]=2 19172 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,1,0,1,0,0|0,0,0]=2 19173 B11R1.90 CC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218427 [0,1,0,1,0,0|1,0,0]=3 19174 B11R1.90 CC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218427 [0,1,0,1,0,0|1,0,0]=3 19175 B11R1.90 CC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100011218427 [0,1,0,1,0,0|1,0,0]=3 19176 B11R1.90 CC(O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100011218427 [0,1,0,1,0,0|2,0,0]=4 19177 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,1,0,1,0,0|1,0,1]=4 19178 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,1,0,1,0,0|1,0,1]=4 19179 B11R1.90 CC(O)CSC1COCC1O 62a_100011218427_200000725654 [0,1,0,1,0,0|2,0,0]=4 19180 B11R1.90 CC(O)CSC1COCC1O 62a_200000725654_100011218427 [0,1,0,1,0,0|2,0,0]=4 19181 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218427_200016002552 [0,1,0,1,0,0|1,0,0]=3 19182 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218427 [0,1,0,1,0,0|1,0,0]=3 19183 B11R1.90 CC1CCCC1OCC(F)F 34a_100011216460_100011934356 [0,1,0,1,0,0|2,0,0]=4 19184 B11R1.90 CC1CCCC1OCC(F)F 7a_100011216460_100011934356 [0,1,0,1,0,0|2,0,0]=4 19185 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,1,0,1,0,0|0,0,0]=2 19186 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,1,0,1,0,0|0,0,0]=2 19187 B11R1.90 CN(C)CCC1CCCN1C 2230a_100102631434_100000005710 [0,1,0,1,0,0|2,0,0]=4 19188 B11R1.90 CN(C)CCC1CCCN1C 269982a_100102631434_100000005710 [0,1,0,1,0,0|2,0,0]=4 19189 B11R1.90 C[C@@H](O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100009817552 [0,1,0,1,0,0|2,0,0]=4 19190 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,1,0,1,0,0|1,0,1]=4 19191 B11R1.90 C[C@@H](O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817552 [0,1,0,1,0,0|1,0,0]=3 19192 B11R1.90 C[C@@H](O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817552 [0,1,0,1,0,0|1,0,0]=3 19193 B11R1.90 C[C@@H](O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100009817552 [0,1,0,1,0,0|2,0,0]=4 19194 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,1,0,1,0,0|1,0,1]=4 19195 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,1,0,1,0,0|1,0,1]=4 19196 B11R1.90 C[C@@H](O)CSC1COCC1O 62a_100009817552_200000725654 [0,1,0,1,0,0|2,0,0]=4 19197 B11R1.90 C[C@@H](O)CSC1COCC1O 62a_200000725654_100009817552 [0,1,0,1,0,0|2,0,0]=4 19198 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_100009817552_200016002552 [0,1,0,1,0,0|1,0,0]=3 19199 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817552 [0,1,0,1,0,0|1,0,0]=3 19200 B11R1.90 C[C@@H]1CCCN1CCN(C)C 269982a_100015189458_100000755713 [0,1,0,1,0,0|2,0,0]=4 19201 B11R1.90 C[C@@H]1CNC[C@@H]1OC[C@@H](C)O 34a_200015306588_100009817552 [0,1,0,1,0,0|1,0,0]=3 19202 B11R1.90 C[C@H]1CCCN1CCN(C)C 269982a_100020605311_100000755713 [0,1,0,1,0,0|2,0,0]=4 19203 B11R1.120 CCCN1CC(C1)CC(C)C 2230a_214813039686_100000210303 [0,1,0,1,0,0|2,0,0]=4 19204 B11R1.120 CCCN1CC(C1)CC(C)C 269982a_214813039686_100000210303 [0,1,0,1,0,0|2,0,0]=4 19205 B11R1.120 CCCN1CC(C1)CC(C)C 34a_214813039686_100000210303 [0,1,0,1,0,0|2,0,0]=4 19206 B11R1.120 CCOC1CN(C1)CC(C)O 269982a_100000732654_100011218427 [0,1,0,1,0,0|2,0,0]=4 19207 B11R1.120 CCOC1CN(C1)CC(C)O 34a_100000732654_100011218427 [0,1,0,1,0,0|2,0,0]=4 19208 B11R1.120 CCOC1CN(C1)C[C@@H](C)O 269982a_100000732654_100009817552 [0,1,0,1,0,0|2,0,0]=4 19209 B11R1.120 CCOC1CN(C1)C[C@@H](C)O 34a_100000732654_100009817552 [0,1,0,1,0,0|2,0,0]=4 19210 B11R1.120 COCC1CN(C1)CC(C)O 2230a_100016993750_100011218427 [0,1,0,1,0,0|2,0,0]=4 19211 B11R1.120 COCC1CN(C1)CC(C)O 269982a_100016993750_100011218427 [0,1,0,1,0,0|2,0,0]=4 19212 B11R1.120 COCC1CN(C1)CC(C)O 34a_100016993750_100011218427 [0,1,0,1,0,0|2,0,0]=4 19213 B11R1.120 COCC1CN(C1)C[C@@H](C)O 2230a_100016993750_100009817552 [0,1,0,1,0,0|2,0,0]=4 19214 B11R1.120 COCC1CN(C1)C[C@@H](C)O 269982a_100016993750_100009817552 [0,1,0,1,0,0|2,0,0]=4 19215 B11R1.120 COCC1CN(C1)C[C@@H](C)O 34a_100016993750_100009817552 [0,1,0,1,0,0|2,0,0]=4 19216 B11R1.124 CCCC1CCC(C1)N(C)C 270004a_100102631434_200012087856 [0,1,0,1,0,0|2,0,0]=4 19217 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 19218 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 19219 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 19220 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,1,0,1,0,0|1,0,0]=3 19221 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,1,0,1,0,0|1,0,0]=3 19222 B11R1.135 COCN1CCCC(CC1)O 2230a_100015186869_100000766300 [0,1,0,1,0,0|2,0,0]=4 19223 B11R1.135 COCN1CCCC(CC1)O 269982a_100015186869_100000766300 [0,1,0,1,0,0|2,0,0]=4 19224 B11R1.135 CSCN1CCCC(CC1)O 2230a_100015186869_100011218213 [0,1,0,1,0,0|2,0,0]=4 19225 B11R1.135 CSCN1CCCC(CC1)O 269982a_100015186869_100011218213 [0,1,0,1,0,0|2,0,0]=4 19226 B11R1.135 OC1CCCN(CC1)CCF 2230a_100015186869_100011217306 [0,1,0,1,0,0|2,0,0]=4 19227 B11R1.135 OC1CCCN(CC1)CCF 269982a_100015186869_100011217306 [0,1,0,1,0,0|2,0,0]=4 19228 B11R1.135 OCCN1CCCC(CC1)O 2230a_100015186869_100000211926 [0,1,0,1,0,0|2,0,0]=4 19229 B11R1.135 OCCN1CCCC(CC1)O 269982a_100015186869_100000211926 [0,1,0,1,0,0|2,0,0]=4 19230 B11R1.154 C=C(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000730704 [0,1,0,1,0,0|1,0,1]=4 19231 B11R1.154 C=C(C)CNCC1CC(C1)O 2230a_100016992100_100000748629 [0,1,0,1,0,0|1,0,1]=4 19232 B11R1.154 C=C1CC(C1)CNCC(C)O 2230a_100102567296_100011218427 [0,1,0,1,0,0|1,0,1]=4 19233 B11R1.154 C=C1CC(C1)CNCC(C)O 34a_100102567296_100011218427 [0,1,0,1,0,0|1,0,1]=4 19234 B11R1.154 C=C1CC(C1)CNC[C@@H](C)O 2230a_100102567296_100009817552 [0,1,0,1,0,0|1,0,1]=4 19235 B11R1.154 C=C1CC(C1)CNC[C@@H](C)O 34a_100102567296_100009817552 [0,1,0,1,0,0|1,0,1]=4 19236 B11R1.154 C=C1CC(C1)COCC(C)O 34a_100011011225_100011218427 [0,1,0,1,0,0|1,0,1]=4 19237 B11R1.154 C=C1CC(C1)COC[C@@H](C)O 34a_100011011225_100009817552 [0,1,0,1,0,0|1,0,1]=4 19238 B11R1.154 C=C1CC(C1)NCCC(C)O 2230a_100132301982_100012276601 [0,1,0,1,0,0|1,0,1]=4 19239 B11R1.154 CC(=O)CCCN1CC(C1)O 269982a_100000749847_100011215641 [0,1,0,1,0,0|1,0,1]=4 19240 B11R1.154 CC(C)CCCN1CC(C1)C 2230a_100000702820_100011214892 [0,1,0,1,0,0|2,0,0]=4 19241 B11R1.154 CC(C)CCCN1CC(C1)C 269982a_100000702820_100011214892 [0,1,0,1,0,0|2,0,0]=4 19242 B11R1.154 CC(C)CCCN1CC(C1)C 34a_100000702820_100011214892 [0,1,0,1,0,0|2,0,0]=4 19243 B11R1.154 CC(C)CCCN1CC(C1)F 2230a_100000690557_100011214892 [0,1,0,1,0,0|2,0,0]=4 19244 B11R1.154 CC(C)CCCN1CC(C1)F 269982a_100000690557_100011214892 [0,1,0,1,0,0|2,0,0]=4 19245 B11R1.154 CC(C)CCCN1CC(C1)F 34a_100000690557_100011214892 [0,1,0,1,0,0|2,0,0]=4 19246 B11R1.154 CC(C)CCCN1CC(C1)O 269982a_100000749847_100011214892 [0,1,0,1,0,0|1,0,0]=3 19247 B11R1.154 CC(C)CCNC1CC(C1)F 2230a_100016993743_100000210312 [0,1,0,1,0,0|2,0,0]=4 19248 B11R1.154 CC(C)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210312 [0,1,0,1,0,0|1,0,0]=3 19249 B11R1.154 CC(C)CCN[C@H]1C[C@@H](C1)O 269862a_100020629032_100000185833 [0,1,0,1,0,0|1,0,0]=3 19250 B11R1.154 CC(C)CNCC1CC(C1)O 2230a_100016992100_100000210760 [0,1,0,1,0,0|1,0,0]=3 19251 B11R1.154 CC(C)CNCC1CC(C1)O 270004a_100016992100_100000210432 [0,1,0,1,0,0|1,0,0]=3 19252 B11R1.154 CC(C)COCC1CC(C1)Cl 34a_100009874164_100000210624 [0,1,0,1,0,0|2,0,0]=4 19253 B11R1.154 CC(C)OCCN1CC(C1)O 269982a_100000749847_100000211751 [0,1,0,1,0,0|2,0,0]=4 19254 B11R1.154 CC(C)OCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000709892 [0,1,0,1,0,0|2,0,0]=4 19255 B11R1.154 CC(C)SCCN1CC(C1)O 269982a_100000749847_100000730970 [0,1,0,1,0,0|2,0,0]=4 19256 B11R1.154 CC(O)CCCN1CC(C1)C 2230a_100000702820_200000718107 [0,1,0,1,0,0|1,0,0]=3 19257 B11R1.154 CC(O)CCCN1CC(C1)C 269982a_100000702820_200000718107 [0,1,0,1,0,0|1,0,0]=3 19258 B11R1.154 CC(O)CCCN1CC(C1)C 34a_100000702820_200000718107 [0,1,0,1,0,0|1,0,0]=3 19259 B11R1.154 CC(O)CCCN1CC(C1)F 2230a_100000690557_200000718107 [0,1,0,1,0,0|1,0,0]=3 19260 B11R1.154 CC(O)CCCN1CC(C1)F 269982a_100000690557_200000718107 [0,1,0,1,0,0|1,0,0]=3 19261 B11R1.154 CC(O)CCCN1CC(C1)F 34a_100000690557_200000718107 [0,1,0,1,0,0|1,0,0]=3 19262 B11R1.154 CC(O)CCCN1CC(C1)O 269982a_100000749847_200000718107 [0,1,0,1,0,0|1,0,0]=3 19263 B11R1.154 CC(O)CCNC1CC(C1)F 2230a_100016993743_100012276601 [0,1,0,1,0,0|1,0,0]=3 19264 B11R1.154 CC(O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100012276601 [0,1,0,1,0,0|1,0,0]=3 19265 B11R1.154 CC(O)CCSC1CC(=O)C1 62a_100009894365_100012276601 [0,1,0,1,0,0|1,0,1]=4 19266 B11R1.154 CC(O)CNCC1CC(=O)C1 2230a_100000210904_100009874392 [0,1,0,1,0,0|1,0,1]=4 19267 B11R1.154 CC(O)CNCC1CC(C1)O 2230a_100016992100_100011218427 [0,1,0,1,0,0|1,0,0]=3 19268 B11R1.154 CC(O)COCC1CC(=O)C1 34a_100000101936_100011218427 [0,1,0,1,0,0|1,0,1]=4 19269 B11R1.154 CC(O)COCC1CC(C1)Cl 34a_100009874164_100011218427 [0,1,0,1,0,0|1,0,0]=3 19270 B11R1.154 CC(O)CSCC1CC(=O)C1 62a_100009874392_100011218427 [0,1,0,1,0,0|1,0,1]=4 19271 B11R1.154 CC(O)CSCC1CC(=O)C1 62a_100011218427_100009874392 [0,1,0,1,0,0|1,0,1]=4 19272 B11R1.154 CN(C)CCCN1CC(C1)O 269982a_100000749847_100000757444 [0,1,0,1,0,0|2,0,0]=4 19273 B11R1.154 C[C@@H](O)CNCC1CC(C1)O 2230a_100016992100_100009817552 [0,1,0,1,0,0|1,0,0]=3 19274 B11R1.154 C[C@@H](O)COCC1CC(=O)C1 34a_100000101936_100009817552 [0,1,0,1,0,0|1,0,1]=4 19275 B11R1.154 C[C@@H](O)COCC1CC(C1)Cl 34a_100009874164_100009817552 [0,1,0,1,0,0|1,0,0]=3 19276 B11R1.154 C[C@@H](O)CSCC1CC(=O)C1 62a_100009817552_100009874392 [0,1,0,1,0,0|1,0,1]=4 19277 B11R1.154 C[C@@H](O)CSCC1CC(=O)C1 62a_100009874392_100009817552 [0,1,0,1,0,0|1,0,1]=4 19278 B11R1.154 OC1CC(C1)CNCC(F)F 2230a_100016992100_100011934356 [0,1,0,1,0,0|2,0,0]=4 19279 B11R1.157 C=C(C)CN1CCCC(C1)O 2230a_100000211013_100000748629 [0,1,0,1,0,0|1,0,1]=4 19280 B11R1.157 C=C(C)CN1CCCC(C1)O 269982a_100000211013_100000748629 [0,1,0,1,0,0|1,0,1]=4 19281 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,1,0,1,0,0|0,0,2]=4 19282 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,1,0,1,0,0|1,0,1]=4 19283 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,1,0,1,0,0|1,0,1]=4 19284 B11R1.157 CC(C)CN1CCCC(C1)F 2230a_100000697950_100000210760 [0,1,0,1,0,0|2,0,0]=4 19285 B11R1.157 CC(C)CN1CCCC(C1)F 269982a_100000697950_100000210624 [0,1,0,1,0,0|2,0,0]=4 19286 B11R1.157 CC(C)CN1CCCC(C1)F 270004a_100000697950_100000210432 [0,1,0,1,0,0|2,0,0]=4 19287 B11R1.157 CC(C)CN1CCCC(C1)F 34a_100000697950_100000210624 [0,1,0,1,0,0|2,0,0]=4 19288 B11R1.157 CC(C)CN1CCCC(C1)O 2230a_100000211013_100000210760 [0,1,0,1,0,0|1,0,0]=3 19289 B11R1.157 CC(C)CN1CCCC(C1)O 269982a_100000211013_100000210624 [0,1,0,1,0,0|1,0,0]=3 19290 B11R1.157 CC(C)CN1CCCC(C1)O 270004a_100000211013_100000210432 [0,1,0,1,0,0|1,0,0]=3 19291 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000210760 [0,1,0,1,0,0|2,0,0]=4 19292 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000210624 [0,1,0,1,0,0|2,0,0]=4 19293 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000210432 [0,1,0,1,0,0|2,0,0]=4 19294 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000210624 [0,1,0,1,0,0|2,0,0]=4 19295 B11R1.157 CC(C)CN1CCOC(C1)O 2230a_100000688207_100000210760 [0,1,0,1,0,0|2,0,0]=4 19296 B11R1.157 CC(C)CN1CCOC(C1)O 269982a_100000688207_100000210624 [0,1,0,1,0,0|2,0,0]=4 19297 B11R1.157 CC(C)CN1CCOC(C1)O 270004a_100000688207_100000210432 [0,1,0,1,0,0|2,0,0]=4 19298 B11R1.157 CC(C)NC1CCCC(C1)O 2230a_100015190357_100000210206 [0,1,0,1,0,0|1,0,0]=3 19299 B11R1.157 CC(O)CN1CCCC(C1)F 2230a_100000697950_100011218427 [0,1,0,1,0,0|1,0,0]=3 19300 B11R1.157 CC(O)CN1CCCC(C1)F 269982a_100000697950_100011218427 [0,1,0,1,0,0|1,0,0]=3 19301 B11R1.157 CC(O)CN1CCCC(C1)F 34a_100000697950_100011218427 [0,1,0,1,0,0|1,0,0]=3 19302 B11R1.157 CC(O)CN1CCCC(C1)O 2230a_100000211013_100011218427 [0,1,0,1,0,0|1,0,0]=3 19303 B11R1.157 CC(O)CN1CCCC(C1)O 269982a_100000211013_100011218427 [0,1,0,1,0,0|1,0,0]=3 19304 B11R1.157 CC(O)CN1CCC[C@@H](C1)C 2230a_100000717927_100011218427 [0,1,0,1,0,0|1,0,0]=3 19305 B11R1.157 CC(O)CN1CCC[C@@H](C1)C 269982a_100000717927_100011218427 [0,1,0,1,0,0|1,0,0]=3 19306 B11R1.157 CC(O)CN1CCC[C@@H](C1)C 34a_100000717927_100011218427 [0,1,0,1,0,0|1,0,0]=3 19307 B11R1.157 CC(O)CN1CCOC(C1)C 2230a_100000729577_100011218427 [0,1,0,1,0,0|2,0,0]=4 19308 B11R1.157 CC(O)CN1CCOC(C1)C 269982a_100000729577_100011218427 [0,1,0,1,0,0|2,0,0]=4 19309 B11R1.157 CC(O)CN1CCOC(C1)C 34a_100000729577_100011218427 [0,1,0,1,0,0|2,0,0]=4 19310 B11R1.157 CC(O)CN1CCOC(C1)O 2230a_100000688207_100011218427 [0,1,0,1,0,0|2,0,0]=4 19311 B11R1.157 CC(O)CN1CCOC(C1)O 269982a_100000688207_100011218427 [0,1,0,1,0,0|2,0,0]=4 19312 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,1,0,1,0,0|0,0,2]=4 19313 B11R1.157 CC1CCCC(C1)NC(C)C 2230a_100011194320_100000210206 [0,1,0,1,0,0|2,0,0]=4 19314 B11R1.157 CC1CCCC(C1)NC(C)C 34a_100011194320_100000210206 [0,1,0,1,0,0|2,0,0]=4 19315 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,1,0,1,0,0|2,0,0]=4 19316 B11R1.157 CC1CN(CCO1)C[C@@H](C)O 2230a_100000729577_100009817552 [0,1,0,1,0,0|2,0,0]=4 19317 B11R1.157 CC1CN(CCO1)C[C@@H](C)O 269982a_100000729577_100009817552 [0,1,0,1,0,0|2,0,0]=4 19318 B11R1.157 CC1CN(CCO1)C[C@@H](C)O 34a_100000729577_100009817552 [0,1,0,1,0,0|2,0,0]=4 19319 B11R1.157 C[C@@H](O)CN1CCCC(C1)F 2230a_100000697950_100009817552 [0,1,0,1,0,0|1,0,0]=3 19320 B11R1.157 C[C@@H](O)CN1CCCC(C1)F 269982a_100000697950_100009817552 [0,1,0,1,0,0|1,0,0]=3 19321 B11R1.157 C[C@@H](O)CN1CCCC(C1)F 34a_100000697950_100009817552 [0,1,0,1,0,0|1,0,0]=3 19322 B11R1.157 C[C@@H](O)CN1CCCC(C1)O 2230a_100000211013_100009817552 [0,1,0,1,0,0|1,0,0]=3 19323 B11R1.157 C[C@@H](O)CN1CCCC(C1)O 269982a_100000211013_100009817552 [0,1,0,1,0,0|1,0,0]=3 19324 B11R1.157 C[C@@H](O)CN1CCOC(C1)O 2230a_100000688207_100009817552 [0,1,0,1,0,0|2,0,0]=4 19325 B11R1.157 C[C@@H](O)CN1CCOC(C1)O 269982a_100000688207_100009817552 [0,1,0,1,0,0|2,0,0]=4 19326 B11R1.157 C[C@H]1CCCN(C1)C[C@@H](C)O 2230a_100000717927_100009817552 [0,1,0,1,0,0|1,0,0]=3 19327 B11R1.157 C[C@H]1CCCN(C1)C[C@@H](C)O 269982a_100000717927_100009817552 [0,1,0,1,0,0|1,0,0]=3 19328 B11R1.157 C[C@H]1CCCN(C1)C[C@@H](C)O 34a_100000717927_100009817552 [0,1,0,1,0,0|1,0,0]=3 19329 B11R1.157 OC1CCCN(C1)CC(F)F 2230a_100000211013_100011934356 [0,1,0,1,0,0|2,0,0]=4 19330 B11R1.157 OC1CCCN(C1)CC(F)F 269982a_100000211013_100011934356 [0,1,0,1,0,0|2,0,0]=4 19331 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,1,0,1,0,0|1,0,1]=4 19332 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,1,0,1,0,0|1,0,1]=4 19333 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,1,0,1,0,0|1,0,1]=4 19334 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,1,0,1,0,0|1,0,1]=4 19335 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,1,0,1,0,0|1,0,1]=4 19336 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,1,0,1,0,0|1,0,1]=4 19337 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,1,0,1,0,0|1,0,1]=4 19338 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,1,0,1,0,0|1,0,1]=4 19339 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,1,0,1,0,0|1,0,1]=4 19340 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,1,0,1,0,0|1,0,1]=4 19341 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,1,0,1,0,0|1,0,1]=4 19342 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,1,0,1,0,0|1,0,1]=4 19343 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,1,0,1,0,0|1,0,1]=4 19344 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,1,0,1,0,0|1,0,1]=4 19345 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|0,0,2]=4 19346 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,1,0,1,0,0|0,0,2]=4 19347 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,1,0,1,0,0|0,0,2]=4 19348 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,1,0,1,0,0|0,0,2]=4 19349 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,1,0,1,0,0|0,0,2]=4 19350 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,1,0,1,0,0|0,0,2]=4 19351 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,1,0,1,0,0|0,0,2]=4 19352 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,1,0,1,0,0|0,0,2]=4 19353 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,1,0,1,0,0|0,0,2]=4 19354 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|0,0,2]=4 19355 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,1,0,1,0,0|0,0,2]=4 19356 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,1,0,1,0,0|0,0,2]=4 19357 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,1,0,1,0,0|0,0,2]=4 19358 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,1,0,1,0,0|0,0,2]=4 19359 B11R1.172 CC(Br)CCOC1CCCC1 34a_100009893172_100000179811 [0,1,0,1,0,0|1,0,0]=3 19360 B11R1.172 CC(Br)CCOC1CCOC1 34a_100009893172_100000690089 [0,1,0,1,0,0|2,0,0]=4 19361 B11R1.172 CC(Br)COCC1CCCC1 34a_100012180447_100000740388 [0,1,0,1,0,0|1,0,0]=3 19362 B11R1.172 CC(Br)COCC1CCOC1 34a_100012180447_100011261433 [0,1,0,1,0,0|2,0,0]=4 19363 B11R1.172 CC(C)CCCN1CCCC1 2230a_100000188435_100011214892 [0,1,0,1,0,0|1,0,0]=3 19364 B11R1.172 CC(C)CCCN1CCCC1 269982a_100000188435_100011214892 [0,1,0,1,0,0|1,0,0]=3 19365 B11R1.172 CC(C)CCCN1CCSC1 2230a_100011215254_100011214892 [0,1,0,1,0,0|2,0,0]=4 19366 B11R1.172 CC(C)CCCN1CCSC1 269982a_100011215254_100011214892 [0,1,0,1,0,0|2,0,0]=4 19367 B11R1.172 CC(C)CCNC1CCCC1 2230a_100000211070_100000210312 [0,1,0,1,0,0|1,0,0]=3 19368 B11R1.172 CC(C)CCNC1CCCC1 269862a_100000211070_100000185833 [0,1,0,1,0,0|1,0,0]=3 19369 B11R1.172 CC(C)CCNC1CCCC1 270004a_100000210545_100000210133 [0,1,0,1,0,0|1,0,0]=3 19370 B11R1.172 CC(C)CCNC1CCCC1 34a_100000211070_100000210312 [0,1,0,1,0,0|1,0,0]=3 19371 B11R1.172 CC(C)CCNC1CCOC1 270004a_100000210545_100000752484 [0,1,0,1,0,0|2,0,0]=4 19372 B11R1.172 CC(C)CCNC1CCSC1 270004a_100000210545_100000212027 [0,1,0,1,0,0|2,0,0]=4 19373 B11R1.172 CC(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000210312 [0,1,0,1,0,0|2,0,0]=4 19374 B11R1.172 CC(C)CCN[C@@H]1CCOC1 269862a_200015188469_100000185833 [0,1,0,1,0,0|2,0,0]=4 19375 B11R1.172 CC(C)CCN[C@H]1CCOC1 2230a_100015188467_100000210312 [0,1,0,1,0,0|2,0,0]=4 19376 B11R1.172 CC(C)CCN[C@H]1CCOC1 269862a_100015188467_100000185833 [0,1,0,1,0,0|2,0,0]=4 19377 B11R1.172 CC(C)CCN[C@H]1CCOC1 34a_100015188467_100000210312 [0,1,0,1,0,0|2,0,0]=4 19378 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210254_100000179811 [0,1,0,1,0,0|1,0,0]=3 19379 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210269_100000210312 [0,1,0,1,0,0|1,0,0]=3 19380 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210254_100000179811 [0,1,0,1,0,0|1,0,0]=3 19381 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210269_100000210626 [0,1,0,1,0,0|1,0,0]=3 19382 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,1,0,1,0,0|2,0,0]=4 19383 B11R1.172 CC(C)CCOC1CCOC1 34a_100000210254_100000690089 [0,1,0,1,0,0|2,0,0]=4 19384 B11R1.172 CC(C)CCOC1CCOC1 7a_100000210254_100000731011 [0,1,0,1,0,0|2,0,0]=4 19385 B11R1.172 CC(C)CCOC1CCSC1 7a_100011232664_100000210626 [0,1,0,1,0,0|2,0,0]=4 19386 B11R1.172 CC(C)CCO[C@H]1CCOC1 34a_100000717292_100000210312 [0,1,0,1,0,0|2,0,0]=4 19387 B11R1.172 CC(C)CCSC1CCCC1 62a_100000210312_100000179811 [0,1,0,1,0,0|1,0,0]=3 19388 B11R1.172 CC(C)CCSC1CCCC1 62a_100011217020_100000210312 [0,1,0,1,0,0|1,0,0]=3 19389 B11R1.172 CC(C)CCSC1CCOC1 62a_100000210312_100000690089 [0,1,0,1,0,0|2,0,0]=4 19390 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000210953_100000740388 [0,1,0,1,0,0|1,0,0]=3 19391 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000737975_100000210760 [0,1,0,1,0,0|1,0,0]=3 19392 B11R1.172 CC(C)CNCC1CCCC1 269862a_100000210953_100000746403 [0,1,0,1,0,0|1,0,0]=3 19393 B11R1.172 CC(C)CNCC1CCCC1 270004a_100000737975_100000210432 [0,1,0,1,0,0|1,0,0]=3 19394 B11R1.172 CC(C)CNCC1CCCC1 34a_100000210953_100000740388 [0,1,0,1,0,0|1,0,0]=3 19395 B11R1.172 CC(C)CNCC1CCCC1 34a_100000737975_100000210624 [0,1,0,1,0,0|1,0,0]=3 19396 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [0,1,0,1,0,0|2,0,0]=4 19397 B11R1.172 CC(C)CNCC1CCOC1 2230a_100000210953_100000702531 [0,1,0,1,0,0|2,0,0]=4 19398 B11R1.172 CC(C)CNCC1CCOC1 2230a_100000737293_100000210760 [0,1,0,1,0,0|2,0,0]=4 19399 B11R1.172 CC(C)CNCC1CCOC1 270004a_100000737293_100000210432 [0,1,0,1,0,0|2,0,0]=4 19400 B11R1.172 CC(C)CNCC1CCOC1 34a_100000210953_100011261433 [0,1,0,1,0,0|2,0,0]=4 19401 B11R1.172 CC(C)CNCC1CCOC1 34a_100000737293_100000210624 [0,1,0,1,0,0|2,0,0]=4 19402 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [0,1,0,1,0,0|2,0,0]=4 19403 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [0,1,0,1,0,0|2,0,0]=4 19404 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [0,1,0,1,0,0|2,0,0]=4 19405 B11R1.172 CC(C)COCC1CCCC1 34a_100000210257_100000740388 [0,1,0,1,0,0|1,0,0]=3 19406 B11R1.172 CC(C)COCC1CCCC1 34a_100000742336_100000210624 [0,1,0,1,0,0|1,0,0]=3 19407 B11R1.172 CC(C)COCC1CCCC1 7a_100000742336_100000210760 [0,1,0,1,0,0|1,0,0]=3 19408 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,1,0,1,0,0|2,0,0]=4 19409 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,1,0,1,0,0|2,0,0]=4 19410 B11R1.172 CC(C)COCC1CCNC1 34a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 19411 B11R1.172 CC(C)COCC1CCOC1 34a_100000210257_100011261433 [0,1,0,1,0,0|2,0,0]=4 19412 B11R1.172 CC(C)COCC1CCOC1 34a_100000740260_100000210624 [0,1,0,1,0,0|2,0,0]=4 19413 B11R1.172 CC(C)COC[C@H]1CCCN1 34a_100000745186_100000210624 [0,1,0,1,0,0|2,0,0]=4 19414 B11R1.172 CC(C)CSCC1CCCC1 62a_100000210624_100000740388 [0,1,0,1,0,0|1,0,0]=3 19415 B11R1.172 CC(C)CSCC1CCCC1 62a_100000740388_100000210760 [0,1,0,1,0,0|1,0,0]=3 19416 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [0,1,0,1,0,0|2,0,0]=4 19417 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [0,1,0,1,0,0|2,0,0]=4 19418 B11R1.172 CC(C)CSCC1CCOC1 62a_100000210624_100000702531 [0,1,0,1,0,0|2,0,0]=4 19419 B11R1.172 CC(C)CSCC1CCOC1 62a_100000702531_100000210760 [0,1,0,1,0,0|2,0,0]=4 19420 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,1,0,1,0,0|1,0,0]=3 19421 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,1,0,1,0,0|1,0,0]=3 19422 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,1,0,1,0,0|1,0,0]=3 19423 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,1,0,1,0,0|1,0,0]=3 19424 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,1,0,1,0,0|1,0,0]=3 19425 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,1,0,1,0,0|1,0,0]=3 19426 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,1,0,1,0,0|1,0,0]=3 19427 B11R1.172 CC(C)OCCC1CCNC1 34a_100016987287_100000210206 [0,1,0,1,0,0|2,0,0]=4 19428 B11R1.172 CC(C)OCCC1CCOC1 34a_100011879284_100000210206 [0,1,0,1,0,0|2,0,0]=4 19429 B11R1.172 CC(C)OCCN1CCCC1 2230a_100000188435_100000211751 [0,1,0,1,0,0|2,0,0]=4 19430 B11R1.172 CC(C)OCCN1CCCC1 269982a_100000188435_100000211751 [0,1,0,1,0,0|2,0,0]=4 19431 B11R1.172 CC(C)OCNC1CCCC1 2230a_100000211070_100000709892 [0,1,0,1,0,0|2,0,0]=4 19432 B11R1.172 CC(C)OCNC1CCCC1 34a_100000211070_100000709892 [0,1,0,1,0,0|2,0,0]=4 19433 B11R1.172 CC(C)OCOC1CCCC1 34a_100000210269_100000709892 [0,1,0,1,0,0|2,0,0]=4 19434 B11R1.172 CC(C)OCSC1CCCC1 62a_100000709892_100000179811 [0,1,0,1,0,0|2,0,0]=4 19435 B11R1.172 CC(C)OCSC1CCCC1 62a_100011217020_100000709892 [0,1,0,1,0,0|2,0,0]=4 19436 B11R1.172 CC(C)SCCC1CCCC1 62a_100000210206_100000760354 [0,1,0,1,0,0|1,0,0]=3 19437 B11R1.172 CC(C)SCCC1CCCC1 62a_100000760354_100000210206 [0,1,0,1,0,0|1,0,0]=3 19438 B11R1.172 CC(C)SCCN1CCCC1 2230a_100000188435_100000730970 [0,1,0,1,0,0|2,0,0]=4 19439 B11R1.172 CC(C)SCCN1CCCC1 269982a_100000188435_100000730970 [0,1,0,1,0,0|2,0,0]=4 19440 B11R1.172 CC(C)SCCN1CCCC1 62a_100000210206_100000004467 [0,1,0,1,0,0|2,0,0]=4 19441 B11R1.172 CC(C)SCCN1CCCC1 62a_100000700749_100000210206 [0,1,0,1,0,0|2,0,0]=4 19442 B11R1.172 CC(F)COCC1CCCC1 34a_100015925927_100000740388 [0,1,0,1,0,0|1,0,0]=3 19443 B11R1.172 CC(F)COCC1CCOC1 34a_100015925927_100011261433 [0,1,0,1,0,0|2,0,0]=4 19444 B11R1.172 CC(O)CCCN1CC=CC1 269982a_100015195280_200000718107 [0,1,0,1,0,0|0,0,2]=4 19445 B11R1.172 CC(O)CCCN1CCCC1 2230a_100000188435_200000718107 [0,1,0,1,0,0|0,0,0]=2 19446 B11R1.172 CC(O)CCCN1CCCC1 269982a_100000188435_200000718107 [0,1,0,1,0,0|0,0,0]=2 19447 B11R1.172 CC(O)CCCN1CCSC1 2230a_100011215254_200000718107 [0,1,0,1,0,0|1,0,0]=3 19448 B11R1.172 CC(O)CCCN1CCSC1 269982a_100011215254_200000718107 [0,1,0,1,0,0|1,0,0]=3 19449 B11R1.172 CC(O)CCNC1CC=CC1 2230a_100015188752_100012276601 [0,1,0,1,0,0|0,0,2]=4 19450 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,1,0,1,0,0|0,0,0]=2 19451 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,1,0,1,0,0|0,0,0]=2 19452 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,1,0,1,0,0|0,0,0]=2 19453 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,1,0,1,0,0|0,0,0]=2 19454 B11R1.172 CC(O)CCNC1CCOC1 2230a_200000755665_100000731011 [0,1,0,1,0,0|1,0,0]=3 19455 B11R1.172 CC(O)CCNC1CCOC1 270004a_200000755665_100000752484 [0,1,0,1,0,0|1,0,0]=3 19456 B11R1.172 CC(O)CCNC1CCSC1 270004a_200000755665_100000212027 [0,1,0,1,0,0|1,0,0]=3 19457 B11R1.172 CC(O)CCN[C@@H]1CCOC1 2230a_200015188469_100012276601 [0,1,0,1,0,0|1,0,0]=3 19458 B11R1.172 CC(O)CCN[C@H]1CCOC1 2230a_100015188467_100012276601 [0,1,0,1,0,0|1,0,0]=3 19459 B11R1.172 CC(O)CCN[C@H]1CCOC1 34a_100015188467_100012276601 [0,1,0,1,0,0|1,0,0]=3 19460 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,1,0,1,0,0|0,0,0]=2 19461 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,1,0,1,0,0|0,0,0]=2 19462 B11R1.172 CC(O)CCOC1CCCO1 34a_100000085407_100012276601 [0,1,0,1,0,0|1,0,0]=3 19463 B11R1.172 CC(O)CCOC1CCSC1 7a_100011232664_100012276601 [0,1,0,1,0,0|1,0,0]=3 19464 B11R1.172 CC(O)CCO[C@H]1CCOC1 34a_100000717292_100012276601 [0,1,0,1,0,0|1,0,0]=3 19465 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,1,0,1,0,0|0,0,0]=2 19466 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,1,0,1,0,0|0,0,0]=2 19467 B11R1.172 CC(O)CCSC1CCOC1 62a_100012276601_100000690089 [0,1,0,1,0,0|1,0,0]=3 19468 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,1,0,1,0,0|0,0,0]=2 19469 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,1,0,1,0,0|0,0,0]=2 19470 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,1,0,1,0,0|0,0,0]=2 19471 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|0,0,0]=2 19472 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,1,0,1,0,0|0,0,0]=2 19473 B11R1.172 CC(O)CNCC1CCCO1 2230a_100000210904_100000203698 [0,1,0,1,0,0|1,0,0]=3 19474 B11R1.172 CC(O)CNCC1CCOC1 2230a_100000210904_100000702531 [0,1,0,1,0,0|1,0,0]=3 19475 B11R1.172 CC(O)CNCC1CCOC1 2230a_100000737293_100011218427 [0,1,0,1,0,0|1,0,0]=3 19476 B11R1.172 CC(O)CNCC1CCOC1 34a_100000210904_100011261433 [0,1,0,1,0,0|1,0,0]=3 19477 B11R1.172 CC(O)CNCC1CCOC1 34a_100000737293_100011218427 [0,1,0,1,0,0|1,0,0]=3 19478 B11R1.172 CC(O)CNCC1OCCO1 2230a_100000036311_100011218427 [0,1,0,1,0,0|2,0,0]=4 19479 B11R1.172 CC(O)CNCC1OCCO1 2230a_100000210904_100000755774 [0,1,0,1,0,0|2,0,0]=4 19480 B11R1.172 CC(O)CNCC1OCCO1 34a_100000036311_100011218427 [0,1,0,1,0,0|2,0,0]=4 19481 B11R1.172 CC(O)CNCC1OCCO1 34a_100000210904_100000755774 [0,1,0,1,0,0|2,0,0]=4 19482 B11R1.172 CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218427 [0,1,0,1,0,0|1,0,0]=3 19483 B11R1.172 CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218427 [0,1,0,1,0,0|1,0,0]=3 19484 B11R1.172 CC(O)CNN=C1CCCC1 4a_200000730056_100000210133 [0,1,0,1,0,0|1,0,1]=4 19485 B11R1.172 CC(O)COCC1CC=CC1 34a_100000688395_100011218427 [0,1,0,1,0,0|0,0,2]=4 19486 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,1,0,1,0,0|0,0,0]=2 19487 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,1,0,1,0,0|0,0,0]=2 19488 B11R1.172 CC(O)COCC1CCCO1 34a_100000210270_100011218427 [0,1,0,1,0,0|1,0,0]=3 19489 B11R1.172 CC(O)COCC1CCCO1 7a_100000210270_100011218427 [0,1,0,1,0,0|1,0,0]=3 19490 B11R1.172 CC(O)COCC1CCNC1 34a_100000748654_100011218427 [0,1,0,1,0,0|1,0,0]=3 19491 B11R1.172 CC(O)COCC1CCOC1 34a_100000740260_100011218427 [0,1,0,1,0,0|1,0,0]=3 19492 B11R1.172 CC(O)COCC1COCO1 34a_100011216627_100011218427 [0,1,0,1,0,0|2,0,0]=4 19493 B11R1.172 CC(O)COCC1OCCO1 34a_100000087154_100011218427 [0,1,0,1,0,0|2,0,0]=4 19494 B11R1.172 CC(O)COC[C@H]1CCCN1 34a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 19495 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,1,0,1,0,0|0,0,0]=2 19496 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,1,0,1,0,0|0,0,0]=2 19497 B11R1.172 CC(O)CSCC1CCCO1 62a_100000203698_100011218427 [0,1,0,1,0,0|1,0,0]=3 19498 B11R1.172 CC(O)CSCC1CCCO1 62a_100011218427_100000203698 [0,1,0,1,0,0|1,0,0]=3 19499 B11R1.172 CC(O)CSCC1CCOC1 62a_100000702531_100011218427 [0,1,0,1,0,0|1,0,0]=3 19500 B11R1.172 CC(O)CSCC1CCOC1 62a_100011218427_100000702531 [0,1,0,1,0,0|1,0,0]=3 19501 B11R1.172 CC(O)CSCC1OCCO1 62a_100000755774_100011218427 [0,1,0,1,0,0|2,0,0]=4 19502 B11R1.172 CC(O)CSCC1OCCO1 62a_100011218427_100000755774 [0,1,0,1,0,0|2,0,0]=4 19503 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 19504 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 19505 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 19506 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 19507 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 19508 B11R1.172 CN(C)CCCC1CCCO1 2230a_100011698863_200000210301 [0,1,0,1,0,0|2,0,0]=4 19509 B11R1.172 CN(C)CCCC1CCCO1 269982a_100011698863_200000210301 [0,1,0,1,0,0|2,0,0]=4 19510 B11R1.172 CN(C)CCCC1CCCO1 34a_100011698863_200000210301 [0,1,0,1,0,0|2,0,0]=4 19511 B11R1.172 CN(C)CCCN1CCCC1 2230a_100102631434_100011445909 [0,1,0,1,0,0|2,0,0]=4 19512 B11R1.172 CN(C)CCCN1CCCC1 269982a_100000188435_100000757444 [0,1,0,1,0,0|2,0,0]=4 19513 B11R1.172 CN(C)CCCN1CCCC1 269982a_100000233079_200000210301 [0,1,0,1,0,0|2,0,0]=4 19514 B11R1.172 CN(C)CCCN1CCCC1 269982a_100102631434_100011445909 [0,1,0,1,0,0|2,0,0]=4 19515 B11R1.172 CN(C)CCNC1CCCC1 270004a_100000210585_100000210133 [0,1,0,1,0,0|2,0,0]=4 19516 B11R1.172 CN(C)CCOC1CCCC1 7a_100000210269_100000755713 [0,1,0,1,0,0|2,0,0]=4 19517 B11R1.172 CN(C)CCSC1CCCC1 62a_100011217020_100000755713 [0,1,0,1,0,0|2,0,0]=4 19518 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 19519 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 19520 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 19521 B11R1.172 CN([13CH3])CCCC1CCCO1 2230a_100011698863_200025704644 [0,1,0,1,0,0|2,0,0]=4 19522 B11R1.172 CN([13CH3])CCCC1CCCO1 269982a_100011698863_200025704644 [0,1,0,1,0,0|2,0,0]=4 19523 B11R1.172 CN([13CH3])CCCC1CCCO1 34a_100011698863_200025704644 [0,1,0,1,0,0|2,0,0]=4 19524 B11R1.172 CN([13CH3])CCCN1CCCC1 269982a_100000233079_200025704644 [0,1,0,1,0,0|2,0,0]=4 19525 B11R1.172 C[C@@H](Cl)COCC1CCCC1 34a_100016084084_100000740388 [0,1,0,1,0,0|1,0,0]=3 19526 B11R1.172 C[C@@H](Cl)COCC1CCOC1 34a_100016084084_100011261433 [0,1,0,1,0,0|2,0,0]=4 19527 B11R1.172 C[C@@H](N)CCOC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|1,0,0]=3 19528 B11R1.172 C[C@@H](N)CCOC1CCOC1 34a_100000706166_100000690089 [0,1,0,1,0,0|2,0,0]=4 19529 B11R1.172 C[C@@H](N)COCC1CCCC1 34a_100000737577_100000740388 [0,1,0,1,0,0|1,0,0]=3 19530 B11R1.172 C[C@@H](N)COCC1CCOC1 34a_100000737577_100011261433 [0,1,0,1,0,0|2,0,0]=4 19531 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,1,0,1,0,0|0,0,0]=2 19532 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,1,0,1,0,0|0,0,0]=2 19533 B11R1.172 C[C@@H](O)CNCC1CCOC1 2230a_100000737293_100009817552 [0,1,0,1,0,0|1,0,0]=3 19534 B11R1.172 C[C@@H](O)CNCC1CCOC1 34a_100000737293_100009817552 [0,1,0,1,0,0|1,0,0]=3 19535 B11R1.172 C[C@@H](O)CNCC1OCCO1 2230a_100000036311_100009817552 [0,1,0,1,0,0|2,0,0]=4 19536 B11R1.172 C[C@@H](O)CNCC1OCCO1 34a_100000036311_100009817552 [0,1,0,1,0,0|2,0,0]=4 19537 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009817552 [0,1,0,1,0,0|1,0,0]=3 19538 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009817552 [0,1,0,1,0,0|1,0,0]=3 19539 B11R1.172 C[C@@H](O)COCC1CC=CC1 34a_100000688395_100009817552 [0,1,0,1,0,0|0,0,2]=4 19540 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,1,0,1,0,0|0,0,0]=2 19541 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,1,0,1,0,0|0,0,0]=2 19542 B11R1.172 C[C@@H](O)COCC1CCCO1 34a_100000210270_100009817552 [0,1,0,1,0,0|1,0,0]=3 19543 B11R1.172 C[C@@H](O)COCC1CCCO1 7a_100000210270_100009817552 [0,1,0,1,0,0|1,0,0]=3 19544 B11R1.172 C[C@@H](O)COCC1CCNC1 34a_100000748654_100009817552 [0,1,0,1,0,0|1,0,0]=3 19545 B11R1.172 C[C@@H](O)COCC1CCOC1 34a_100000740260_100009817552 [0,1,0,1,0,0|1,0,0]=3 19546 B11R1.172 C[C@@H](O)COCC1COCO1 34a_100011216627_100009817552 [0,1,0,1,0,0|2,0,0]=4 19547 B11R1.172 C[C@@H](O)COCC1OCCO1 34a_100000087154_100009817552 [0,1,0,1,0,0|2,0,0]=4 19548 B11R1.172 C[C@@H](O)COC[C@H]1CCCN1 34a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 19549 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,1,0,1,0,0|0,0,0]=2 19550 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,1,0,1,0,0|0,0,0]=2 19551 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100000203698_100009817552 [0,1,0,1,0,0|1,0,0]=3 19552 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100009817552_100000203698 [0,1,0,1,0,0|1,0,0]=3 19553 B11R1.172 C[C@@H](O)CSCC1CCOC1 62a_100000702531_100009817552 [0,1,0,1,0,0|1,0,0]=3 19554 B11R1.172 C[C@@H](O)CSCC1CCOC1 62a_100009817552_100000702531 [0,1,0,1,0,0|1,0,0]=3 19555 B11R1.172 C[C@@H](O)CSCC1OCCO1 62a_100000755774_100009817552 [0,1,0,1,0,0|2,0,0]=4 19556 B11R1.172 C[C@@H](O)CSCC1OCCO1 62a_100009817552_100000755774 [0,1,0,1,0,0|2,0,0]=4 19557 B11R1.172 FC(F)CCOC1CCCC1 34a_100103093639_100000179811 [0,1,0,1,0,0|2,0,0]=4 19558 B11R1.172 FC(F)CNCC1CCCC1 2230a_100000737975_100011934356 [0,1,0,1,0,0|2,0,0]=4 19559 B11R1.172 FC(F)CNCC1CCCC1 34a_100000737975_100011934356 [0,1,0,1,0,0|2,0,0]=4 19560 B11R1.172 FC(F)CNCC1CCCC1 34a_100000765723_100000740388 [0,1,0,1,0,0|2,0,0]=4 19561 B11R1.172 FC(F)COCC1CCCC1 34a_100000742336_100011934356 [0,1,0,1,0,0|2,0,0]=4 19562 B11R1.172 FC(F)COCC1CCCC1 34a_100000743014_100000740388 [0,1,0,1,0,0|2,0,0]=4 19563 B11R1.172 FC(F)COCC1CCCC1 7a_100000742336_100011934356 [0,1,0,1,0,0|2,0,0]=4 19564 B11R1.172 FC(F)CSCC1CCCC1 62a_100000740388_100011934356 [0,1,0,1,0,0|2,0,0]=4 19565 B11R1.172 FC(F)CSCC1CCCC1 62a_100011934356_100000740388 [0,1,0,1,0,0|2,0,0]=4 19566 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,1,0,1,0,0|1,0,1]=4 19567 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,1,0,1,0,0|0,0,2]=4 19568 B11R1.201 CC(CCO)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100009893172 [0,1,0,1,0,0|2,0,0]=4 19569 B11R1.201 CCCC(=O)CN1CC(C1)O 269982a_100000749847_100000747444 [0,1,0,1,0,0|1,0,1]=4 19570 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,1,0,1,0,0|1,0,1]=4 19571 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,1,0,1,0,0|1,0,1]=4 19572 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,1,0,1,0,0|1,0,1]=4 19573 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,1,0,1,0,0|1,0,1]=4 19574 B11R1.201 CCCC(C)CN1CC(C1)C 2230a_100000702820_100011216630 [0,1,0,1,0,0|2,0,0]=4 19575 B11R1.201 CCCC(C)CN1CC(C1)C 269982a_100000702820_100011216630 [0,1,0,1,0,0|2,0,0]=4 19576 B11R1.201 CCCC(C)CN1CC(C1)C 270004a_100000702820_100000243154 [0,1,0,1,0,0|2,0,0]=4 19577 B11R1.201 CCCC(C)CN1CC(C1)C 34a_100000702820_100011216630 [0,1,0,1,0,0|2,0,0]=4 19578 B11R1.201 CCCC(C)CN1CC(C1)F 2230a_100000690557_100011216630 [0,1,0,1,0,0|2,0,0]=4 19579 B11R1.201 CCCC(C)CN1CC(C1)F 269982a_100000690557_100011216630 [0,1,0,1,0,0|2,0,0]=4 19580 B11R1.201 CCCC(C)CN1CC(C1)F 270004a_100000690557_100000243154 [0,1,0,1,0,0|2,0,0]=4 19581 B11R1.201 CCCC(C)CN1CC(C1)F 34a_100000690557_100011216630 [0,1,0,1,0,0|2,0,0]=4 19582 B11R1.201 CCCC(C)CN1CC(C1)O 269982a_100000749847_100011216630 [0,1,0,1,0,0|1,0,0]=3 19583 B11R1.201 CCCC(C)NC1CC(C1)F 2230a_100016993743_100000766640 [0,1,0,1,0,0|2,0,0]=4 19584 B11R1.201 CCCC(C)NC1CC(C1)F 270004a_100016993743_100000211909 [0,1,0,1,0,0|2,0,0]=4 19585 B11R1.201 CCCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000766640 [0,1,0,1,0,0|1,0,0]=3 19586 B11R1.201 CCCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000211909 [0,1,0,1,0,0|1,0,0]=3 19587 B11R1.201 COCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000765312 [0,1,0,1,0,0|2,0,0]=4 19588 B11R1.201 COCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000749346 [0,1,0,1,0,0|2,0,0]=4 19589 B11R1.201 CSCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100011216314 [0,1,0,1,0,0|2,0,0]=4 19590 B11R1.288 CCCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011216630 [0,1,0,1,0,0|2,0,0]=4 19591 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011216630 [0,1,0,1,0,0|2,0,0]=4 19592 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100011216630 [0,1,0,1,0,0|2,0,0]=4 19593 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,1,0,1,0,0|2,0,0]=4 19594 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,1,0,1,0,0|2,0,0]=4 19595 B11R1.290 CC(CCBr)OCCC1CO1 34a_100012276601_100000732470 [0,1,0,1,0,0|2,0,0]=4 19596 B11R1.290 CC(CCN)COCC1CO1 34a_106354213184_102125554688 [0,1,0,1,0,0|2,0,0]=4 19597 B11R1.290 CC(CCO)OCC[C@@H]1CO1 34a_100009820653_100009893172 [0,1,0,1,0,0|2,0,0]=4 19598 B11R1.290 CC(CCO)SCCC1CO1 62a_100000732470_100009893172 [0,1,0,1,0,0|2,0,0]=4 19599 B11R1.290 CC(CCO)SCCC1CO1 62a_100009893172_100000732470 [0,1,0,1,0,0|2,0,0]=4 19600 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,1,0,1,0,0|0,0,1]=3 19601 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,1,0,1,0,0|1,0,1]=4 19602 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,1,0,1,0,0|1,0,1]=4 19603 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,1,0,1,0,0|1,0,1]=4 19604 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,1,0,1,0,0|1,0,1]=4 19605 B11R1.290 CCCC(C)CCOC1CC1 34a_100011217855_100000211595 [0,1,0,1,0,0|2,0,0]=4 19606 B11R1.290 CCCC(C)CNCC1CC1 2230a_100000735609_100011216630 [0,1,0,1,0,0|2,0,0]=4 19607 B11R1.290 CCCC(C)CNCC1CC1 270004a_100000735609_100000243154 [0,1,0,1,0,0|2,0,0]=4 19608 B11R1.290 CCCC(C)CNCC1CC1 34a_100000735609_100011216630 [0,1,0,1,0,0|2,0,0]=4 19609 B11R1.290 CCCC(C)COCC1CC1 34a_100000211283_100011216630 [0,1,0,1,0,0|2,0,0]=4 19610 B11R1.290 CCCC(C)COCC1CC1 34a_100000688023_100000742324 [0,1,0,1,0,0|2,0,0]=4 19611 B11R1.290 CCCC(C)COCC1CC1 7a_100000688023_100000742324 [0,1,0,1,0,0|2,0,0]=4 19612 B11R1.290 CCCC(C)COCC1CO1 34a_100000688023_102125554688 [0,1,0,1,0,0|1,0,0]=3 19613 B11R1.290 CCCC(C)COCC1CO1 7a_100000688023_102125554688 [0,1,0,1,0,0|1,0,0]=3 19614 B11R1.290 CCCC(C)COCC1CS1 7a_100000688023_100000031435 [0,1,0,1,0,0|1,1,0]=4 19615 B11R1.290 CCCC(C)COC[C@@H]1CO1 34a_100000757423_100011216630 [0,1,0,1,0,0|1,0,0]=3 19616 B11R1.290 CCCC(C)COC[C@@H]1CO1 7a_100000688023_100000745022 [0,1,0,1,0,0|1,0,0]=3 19617 B11R1.290 CCCC(C)CSCC1CC1 62a_100000756562_100011216630 [0,1,0,1,0,0|2,0,0]=4 19618 B11R1.290 CCCC(C)CSCC1CC1 62a_100011216630_100000742324 [0,1,0,1,0,0|2,0,0]=4 19619 B11R1.290 CCCC(C)CSCC1CO1 62a_100011216630_102125554688 [0,1,0,1,0,0|1,0,0]=3 19620 B11R1.290 CCCC(C)CSCC1CO1 62a_102125554688_100011216630 [0,1,0,1,0,0|1,0,0]=3 19621 B11R1.290 CCCC(C)CSCC1CS1 62a_100000031435_100011216630 [0,1,0,1,0,0|1,1,0]=4 19622 B11R1.290 CCCC(C)CSCC1CS1 62a_100011216630_100000031435 [0,1,0,1,0,0|1,1,0]=4 19623 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100000745022_100011216630 [0,1,0,1,0,0|1,0,0]=3 19624 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100011216630_100000745022 [0,1,0,1,0,0|1,0,0]=3 19625 B11R1.290 CCCC(C)NCCC1CC1 2230a_100000741246_100000694398 [0,1,0,1,0,0|2,0,0]=4 19626 B11R1.290 CCCC(C)NCCC1CC1 270004a_100000764129_100000211909 [0,1,0,1,0,0|2,0,0]=4 19627 B11R1.290 CCCC(C)NCCC1CC1 34a_100000764129_100000766640 [0,1,0,1,0,0|2,0,0]=4 19628 B11R1.290 CCCC(C)NCCC1CO1 2230a_100000741246_100000732470 [0,1,0,1,0,0|1,0,0]=3 19629 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,1,0,1,0,0|2,0,0]=4 19630 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,1,0,1,0,0|2,0,0]=4 19631 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,1,0,1,0,0|2,0,0]=4 19632 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,1,0,1,0,0|2,0,0]=4 19633 B11R1.290 CCCC(C)OCCC1CO1 34a_100000764384_100000732470 [0,1,0,1,0,0|1,0,0]=3 19634 B11R1.290 CCCC(C)OCCC1CO1 7a_100000764384_100000732470 [0,1,0,1,0,0|1,0,0]=3 19635 B11R1.290 CCCC(C)OCC[C@@H]1CO1 34a_100009820653_100000766640 [0,1,0,1,0,0|1,0,0]=3 19636 B11R1.290 CCCC(C)SCCC1CC1 62a_100000764125_100000766640 [0,1,0,1,0,0|2,0,0]=4 19637 B11R1.290 CCCC(C)SCCC1CC1 62a_100000766640_100000764125 [0,1,0,1,0,0|2,0,0]=4 19638 B11R1.290 CCCC(C)SCCC1CO1 62a_100000732470_100000766640 [0,1,0,1,0,0|1,0,0]=3 19639 B11R1.290 CCCC(C)SCCC1CO1 62a_100000766640_100000732470 [0,1,0,1,0,0|1,0,0]=3 19640 B11R1.290 CCCN(C)CCCC1CO1 2230a_100000747261_100000733510 [0,1,0,1,0,0|1,0,0]=3 19641 B11R1.290 CCCN(C)CCCC1CO1 269982a_100000747261_100000733510 [0,1,0,1,0,0|1,0,0]=3 19642 B11R1.290 CCC[C@H](N)CCOC1CC1 34a_100015193777_100000211595 [0,1,0,1,0,0|2,0,0]=4 19643 B11R1.290 CCC[C@H](N)COCC1CC1 34a_100000732646_100000742324 [0,1,0,1,0,0|2,0,0]=4 19644 B11R1.290 CCC[C@H](N)COCC1CO1 34a_100000732646_102125554688 [0,1,0,1,0,0|1,0,0]=3 19645 B11R1.290 CN(CCO)CCCC1CO1 2230a_100000210263_100000733510 [0,1,0,1,0,0|2,0,0]=4 19646 B11R1.290 CN(CCO)CCCC1CO1 269982a_100000210263_100000733510 [0,1,0,1,0,0|2,0,0]=4 19647 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|1,0,1]=4 19648 B11R1.290 COCC(C)OCC[C@@H]1CO1 34a_100009820653_100000765312 [0,1,0,1,0,0|2,0,0]=4 19649 B11R1.290 COCC(C)SCCC1CO1 62a_100000732470_100000765312 [0,1,0,1,0,0|2,0,0]=4 19650 B11R1.290 COCC(C)SCCC1CO1 62a_100000765312_100000732470 [0,1,0,1,0,0|2,0,0]=4 19651 B11R1.290 COCC(N)COCC1CO1 34a_100000724102_102125554688 [0,1,0,1,0,0|2,0,0]=4 19652 B11R1.290 COCC(O)CNCC1CO1 2230a_100000756049_100011216344 [0,1,0,1,0,0|2,0,0]=4 19653 B11R1.290 COCC(O)CNCC1CO1 34a_100000756049_102125554688 [0,1,0,1,0,0|2,0,0]=4 19654 B11R1.290 COCC(O)COC[C@@H]1CO1 34a_100000757423_100011215053 [0,1,0,1,0,0|2,0,0]=4 19655 B11R1.290 COCC(O)CSCC1CO1 62a_100011215053_102125554688 [0,1,0,1,0,0|2,0,0]=4 19656 B11R1.290 COCC(O)CSCC1CO1 62a_102125554688_100011215053 [0,1,0,1,0,0|2,0,0]=4 19657 B11R1.290 COCC(O)CSC[C@@H]1CO1 62a_100000745022_100011215053 [0,1,0,1,0,0|2,0,0]=4 19658 B11R1.290 COCC(O)CSC[C@@H]1CO1 62a_100011215053_100000745022 [0,1,0,1,0,0|2,0,0]=4 19659 B11R1.290 COC[C@@H](C)NCCC1CO1 2230a_100000764878_100000732470 [0,1,0,1,0,0|2,0,0]=4 19660 B11R1.290 COC[C@@H](C)OCCC1CO1 34a_100011934205_100000732470 [0,1,0,1,0,0|2,0,0]=4 19661 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,1,0,1,0,0|1,0,1]=4 19662 B11R1.290 C[C@H](CCO)NCCC1CO1 2230a_100000706166_100000732470 [0,1,0,1,0,0|2,0,0]=4 19663 B11R1.290 C[C@H](CCO)NCCC1CO1 34a_100000706166_100000732470 [0,1,0,1,0,0|2,0,0]=4 19664 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|1,0,1]=4 19665 B11R1.342 CC1(CCCN(C1)CCF)O 2230a_100000695535_100011217306 [0,1,0,1,0,0|2,0,0]=4 19666 B11R1.342 CC1(CCCN(C1)CCF)O 269982a_100000695535_100011217306 [0,1,0,1,0,0|2,0,0]=4 19667 B11R1.342 CC1(CCCN(C1)CCO)O 2230a_100000695535_100000211926 [0,1,0,1,0,0|2,0,0]=4 19668 B11R1.342 CC1(CCCN(C1)CCO)O 269982a_100000695535_100000211926 [0,1,0,1,0,0|2,0,0]=4 19669 B11R1.342 CC1(CNC[C@H](O1)CO[13CH3])C 34a_100020634577_200025704644 [0,1,0,1,0,0|2,0,0]=4 19670 B11R1.342 CCCN1CCCC(C1)(C)C 2230a_100000716857_100000210303 [0,1,0,1,0,0|2,0,0]=4 19671 B11R1.342 CCCN1CCCC(C1)(C)C 269982a_100000716857_100000210303 [0,1,0,1,0,0|2,0,0]=4 19672 B11R1.342 CCCN1CCCC(C1)(C)C 34a_100000716857_100000210303 [0,1,0,1,0,0|2,0,0]=4 19673 B11R1.342 CCCN1CCCC(C1)(C)O 2230a_100000695535_100000210303 [0,1,0,1,0,0|1,0,0]=3 19674 B11R1.342 CCCN1CCCC(C1)(C)O 269982a_100000695535_100000210303 [0,1,0,1,0,0|1,0,0]=3 19675 B11R1.342 CCCN1CCCC(C1)(F)F 2230a_100000732682_100000210303 [0,1,0,1,0,0|2,0,0]=4 19676 B11R1.342 CCCN1CCCC(C1)(F)F 269982a_100000732682_100000210303 [0,1,0,1,0,0|2,0,0]=4 19677 B11R1.342 CCCN1CCCC(C1)(F)F 34a_100000732682_100000210303 [0,1,0,1,0,0|2,0,0]=4 19678 B11R1.342 CCNC1CCCC(C1)(C)C 270004a_100015525214_100000031663 [0,1,0,1,0,0|2,0,0]=4 19679 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,1,0,1,0,0|2,0,0]=4 19680 B11R1.342 COCN1CCCC(C1)(C)O 2230a_100000695535_100000766300 [0,1,0,1,0,0|2,0,0]=4 19681 B11R1.342 COCN1CCCC(C1)(C)O 269982a_100000695535_100000766300 [0,1,0,1,0,0|2,0,0]=4 19682 B11R1.342 COC[C@@H]1CNCC(O1)(C)C 34a_100020634577_200000210301 [0,1,0,1,0,0|2,0,0]=4 19683 B11R1.342 CSCN1CCCC(C1)(C)O 2230a_100000695535_100011218213 [0,1,0,1,0,0|2,0,0]=4 19684 B11R1.342 CSCN1CCCC(C1)(C)O 269982a_100000695535_100011218213 [0,1,0,1,0,0|2,0,0]=4 19685 B11R1.565 CC(C)N1CCCC(CC1)O 2230a_100015186869_100000210206 [0,1,0,1,0,0|2,0,0]=4 19686 B11R1.565 CC(C)N1CCCC(CC1)O 269982a_100015186869_100000210206 [0,1,0,1,0,0|2,0,0]=4 19687 B11R1.565 CC1CCCN(CC1)C(C)C 2230a_100025706717_100000210206 [0,1,0,1,0,0|2,0,0]=4 19688 B11R1.565 CC1CCCN(CC1)C(C)C 269982a_100025706717_100000210206 [0,1,0,1,0,0|2,0,0]=4 19689 B11R1.565 CC1CCCN(CC1)C(C)C 34a_100025706717_100000210206 [0,1,0,1,0,0|2,0,0]=4 19690 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,1,0,1,0,0|1,0,1]=4 19691 B11R1.720 CC(C)CCCN(C)C1CC1 2230a_100000226674_100011214892 [0,1,0,1,0,0|2,0,0]=4 19692 B11R1.720 CC(C)CCCN(C)C1CC1 269982a_100000226674_100011214892 [0,1,0,1,0,0|2,0,0]=4 19693 B11R1.720 CC(C)CCNC(C)C1CC1 2230a_100000700016_100000210312 [0,1,0,1,0,0|2,0,0]=4 19694 B11R1.720 CC(C)CCNC(C)C1CC1 269862a_100000210545_100000210639 [0,1,0,1,0,0|2,0,0]=4 19695 B11R1.720 CC(C)CCNC(C)C1CC1 269862a_100000700016_100000185833 [0,1,0,1,0,0|2,0,0]=4 19696 B11R1.720 CC(C)CCNC(C)C1CC1 34a_100000700016_100000210312 [0,1,0,1,0,0|2,0,0]=4 19697 B11R1.720 CC(C)CCOC(C)C1CC1 34a_100000744524_100000210312 [0,1,0,1,0,0|2,0,0]=4 19698 B11R1.720 CC(C)CCOC(C)C1CC1 7a_100000744524_100000210626 [0,1,0,1,0,0|2,0,0]=4 19699 B11R1.720 CC(C)CNCC(O)C1CC1 2230a_100000751198_100000210760 [0,1,0,1,0,0|2,0,0]=4 19700 B11R1.720 CC(C)CNCC(O)C1CC1 270004a_100000751198_100000210432 [0,1,0,1,0,0|2,0,0]=4 19701 B11R1.720 CC(C)CNCC(O)C1CC1 34a_100000751198_100000210624 [0,1,0,1,0,0|2,0,0]=4 19702 B11R1.720 CC(C)COC[C@H](N)C1CC1 34a_100020623730_100000210624 [0,1,0,1,0,0|2,0,0]=4 19703 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,1,0,1,0,0|0,0,1]=3 19704 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,1,0,1,0,0|1,0,1]=4 19705 B11R1.720 CC(O)CCCN(C)C1CC1 2230a_100000226674_200000718107 [0,1,0,1,0,0|1,0,0]=3 19706 B11R1.720 CC(O)CCCN(C)C1CC1 269982a_100000226674_200000718107 [0,1,0,1,0,0|1,0,0]=3 19707 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,1,0,1,0,0|1,0,1]=4 19708 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,1,0,1,0,0|1,0,1]=4 19709 B11R1.720 CC(O)CCNC(C)C1CC1 2230a_100000700016_100012276601 [0,1,0,1,0,0|1,0,0]=3 19710 B11R1.720 CC(O)CCNC(C)C1CC1 269862a_200000755665_100000210639 [0,1,0,1,0,0|1,0,0]=3 19711 B11R1.720 CC(O)CCNC(C)C1CC1 34a_100000700016_100012276601 [0,1,0,1,0,0|1,0,0]=3 19712 B11R1.720 CC(O)CCNC(C)C1CO1 270004a_200000755665_100000031964 [0,1,0,1,0,0|2,0,0]=4 19713 B11R1.720 CC(O)CCOC(C)C1CC1 34a_100000744524_100012276601 [0,1,0,1,0,0|1,0,0]=3 19714 B11R1.720 CC(O)CCOC(C)C1CC1 7a_100000744524_100012276601 [0,1,0,1,0,0|1,0,0]=3 19715 B11R1.720 CC(O)CNCC(=O)C1CC1 2230a_100000210904_100000746382 [0,1,0,1,0,0|1,0,1]=4 19716 B11R1.720 CC(O)CNCC(=O)C1CC1 34a_100000210904_100000746382 [0,1,0,1,0,0|1,0,1]=4 19717 B11R1.720 CC(O)CNCC(O)C1CC1 2230a_100000751198_100011218427 [0,1,0,1,0,0|1,0,0]=3 19718 B11R1.720 CC(O)CNCC(O)C1CC1 34a_100000751198_100011218427 [0,1,0,1,0,0|1,0,0]=3 19719 B11R1.720 CC(O)COCC(=O)C1CC1 34a_100000686663_100011218427 [0,1,0,1,0,0|1,0,1]=4 19720 B11R1.720 CC(O)COC[C@H](N)C1CC1 34a_100020623730_100011218427 [0,1,0,1,0,0|1,0,0]=3 19721 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100000746382_100011218427 [0,1,0,1,0,0|1,0,1]=4 19722 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100011218427_100000746382 [0,1,0,1,0,0|1,0,1]=4 19723 B11R1.720 C[C@@H](O)CNCC(O)C1CC1 2230a_100000751198_100009817552 [0,1,0,1,0,0|1,0,0]=3 19724 B11R1.720 C[C@@H](O)CNCC(O)C1CC1 34a_100000751198_100009817552 [0,1,0,1,0,0|1,0,0]=3 19725 B11R1.720 C[C@@H](O)COCC(=O)C1CC1 34a_100000686663_100009817552 [0,1,0,1,0,0|1,0,1]=4 19726 B11R1.720 C[C@@H](O)COC[C@H](N)C1CC1 34a_100020623730_100009817552 [0,1,0,1,0,0|1,0,0]=3 19727 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100000746382_100009817552 [0,1,0,1,0,0|1,0,1]=4 19728 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100009817552_100000746382 [0,1,0,1,0,0|1,0,1]=4 19729 B11R1.924 CC(Br)COCC1(CCC1)C 34a_100012180447_100000726658 [0,1,0,1,0,0|2,0,0]=4 19730 B11R1.924 CC(C)CCNC1(CCC1)C 2230a_100000692455_100000210312 [0,1,0,1,0,0|2,0,0]=4 19731 B11R1.924 CC(C)CCNC1(CCC1)C 34a_100000692455_100000210312 [0,1,0,1,0,0|2,0,0]=4 19732 B11R1.924 CC(C)CCOC1(CCC1)C 34a_100000759064_100000210312 [0,1,0,1,0,0|2,0,0]=4 19733 B11R1.924 CC(C)CCOC1(CCC1)C 7a_100000759064_100000210626 [0,1,0,1,0,0|2,0,0]=4 19734 B11R1.924 CC(C)CNCC1(CCC1)C 2230a_100000210953_100000726658 [0,1,0,1,0,0|2,0,0]=4 19735 B11R1.924 CC(C)CNCC1(CCC1)C 2230a_100000706607_100000210760 [0,1,0,1,0,0|2,0,0]=4 19736 B11R1.924 CC(C)CNCC1(CCC1)C 270004a_100000706607_100000210432 [0,1,0,1,0,0|2,0,0]=4 19737 B11R1.924 CC(C)CNCC1(CCC1)C 34a_100000210953_100000726658 [0,1,0,1,0,0|2,0,0]=4 19738 B11R1.924 CC(C)CNCC1(CCC1)O 2230a_100000752638_100000210760 [0,1,0,1,0,0|2,0,0]=4 19739 B11R1.924 CC(C)CNCC1(CCC1)O 270004a_100000752638_100000210432 [0,1,0,1,0,0|2,0,0]=4 19740 B11R1.924 CC(C)COCC1(CCC1)C 34a_100000210257_100000726658 [0,1,0,1,0,0|2,0,0]=4 19741 B11R1.924 CC(C)CSCC1(CCC1)C 62a_100000210624_100000726658 [0,1,0,1,0,0|2,0,0]=4 19742 B11R1.924 CC(C)CSCC1(CCC1)C 62a_100000726658_100000210760 [0,1,0,1,0,0|2,0,0]=4 19743 B11R1.924 CC(F)COCC1(CCC1)C 34a_100015925927_100000726658 [0,1,0,1,0,0|2,0,0]=4 19744 B11R1.924 CC(O)CCNC1(CCC1)C 2230a_100000692455_100012276601 [0,1,0,1,0,0|1,0,0]=3 19745 B11R1.924 CC(O)CCNC1(CCC1)C 34a_100000692455_100012276601 [0,1,0,1,0,0|1,0,0]=3 19746 B11R1.924 CC(O)CCNC1(COC1)C 2230a_100000732644_100012276601 [0,1,0,1,0,0|2,0,0]=4 19747 B11R1.924 CC(O)CCOC1(CCC1)C 34a_100000759064_100012276601 [0,1,0,1,0,0|1,0,0]=3 19748 B11R1.924 CC(O)CCOC1(CCC1)C 7a_100000759064_100012276601 [0,1,0,1,0,0|1,0,0]=3 19749 B11R1.924 CC(O)CCOC1(CSC1)C 7a_100016018533_100012276601 [0,1,0,1,0,0|2,0,0]=4 19750 B11R1.924 CC(O)CNCC1(CCC1)C 2230a_100000210904_100000726658 [0,1,0,1,0,0|1,0,0]=3 19751 B11R1.924 CC(O)CNCC1(CCC1)C 2230a_100000706607_100011218427 [0,1,0,1,0,0|1,0,0]=3 19752 B11R1.924 CC(O)CNCC1(CCC1)C 34a_100000210904_100000726658 [0,1,0,1,0,0|1,0,0]=3 19753 B11R1.924 CC(O)CNCC1(CCC1)O 2230a_100000752638_100011218427 [0,1,0,1,0,0|1,0,0]=3 19754 B11R1.924 CC(O)CNCC1(COC1)C 2230a_100000210904_100000066812 [0,1,0,1,0,0|2,0,0]=4 19755 B11R1.924 CC(O)CNCC1(COC1)C 2230a_100020631278_100011218427 [0,1,0,1,0,0|2,0,0]=4 19756 B11R1.924 CC(O)CNCC1(COC1)C 269862a_100000210904_100000050806 [0,1,0,1,0,0|2,0,0]=4 19757 B11R1.924 CC(O)CNCC1(COC1)C 34a_100000210904_100009817586 [0,1,0,1,0,0|2,0,0]=4 19758 B11R1.924 CC(O)CNCC1(COC1)O 2230a_100010264505_100011218427 [0,1,0,1,0,0|2,0,0]=4 19759 B11R1.924 CC(O)COCC1(CSC1)C 34a_100000732658_100011218427 [0,1,0,1,0,0|2,0,0]=4 19760 B11R1.924 CC(O)COCC1(CSC1)C 7a_100000732658_100011218427 [0,1,0,1,0,0|2,0,0]=4 19761 B11R1.924 CC(O)CSCC1(CCC1)C 62a_100000726658_100011218427 [0,1,0,1,0,0|1,0,0]=3 19762 B11R1.924 CC(O)CSCC1(CCC1)C 62a_100011218427_100000726658 [0,1,0,1,0,0|1,0,0]=3 19763 B11R1.924 CC(O)CSCC1(COC1)C 62a_100009817586_100011218427 [0,1,0,1,0,0|2,0,0]=4 19764 B11R1.924 CC(O)CSCC1(COC1)C 62a_100011218427_100009817586 [0,1,0,1,0,0|2,0,0]=4 19765 B11R1.924 C[C@@H](Cl)COCC1(CCC1)C 34a_100016084084_100000726658 [0,1,0,1,0,0|2,0,0]=4 19766 B11R1.924 C[C@@H](N)COCC1(CCC1)C 34a_100000737577_100000726658 [0,1,0,1,0,0|2,0,0]=4 19767 B11R1.924 C[C@@H](O)CNCC1(CCC1)C 2230a_100000706607_100009817552 [0,1,0,1,0,0|1,0,0]=3 19768 B11R1.924 C[C@@H](O)CNCC1(CCC1)O 2230a_100000752638_100009817552 [0,1,0,1,0,0|1,0,0]=3 19769 B11R1.924 C[C@@H](O)CNCC1(COC1)C 2230a_100020631278_100009817552 [0,1,0,1,0,0|2,0,0]=4 19770 B11R1.924 C[C@@H](O)CNCC1(COC1)O 2230a_100010264505_100009817552 [0,1,0,1,0,0|2,0,0]=4 19771 B11R1.924 C[C@@H](O)COCC1(CSC1)C 34a_100000732658_100009817552 [0,1,0,1,0,0|2,0,0]=4 19772 B11R1.924 C[C@@H](O)COCC1(CSC1)C 7a_100000732658_100009817552 [0,1,0,1,0,0|2,0,0]=4 19773 B11R1.924 C[C@@H](O)CSCC1(CCC1)C 62a_100000726658_100009817552 [0,1,0,1,0,0|1,0,0]=3 19774 B11R1.924 C[C@@H](O)CSCC1(CCC1)C 62a_100009817552_100000726658 [0,1,0,1,0,0|1,0,0]=3 19775 B11R1.924 C[C@@H](O)CSCC1(COC1)C 62a_100009817552_100009817586 [0,1,0,1,0,0|2,0,0]=4 19776 B11R1.924 C[C@@H](O)CSCC1(COC1)C 62a_100009817586_100009817552 [0,1,0,1,0,0|2,0,0]=4 19777 B11R1.24 C#CCCN1CCCC(C1)O 2230a_100000211013_100000688953 [0,1,0,1,0,0|0,0,2]=4 19778 B11R1.24 C#CCCN1CCCC(C1)O 269982a_100000211013_100000730999 [0,1,0,1,0,0|0,0,2]=4 19779 B11R1.24 C#CCNC1CCCC(C1)O 2230a_100015190357_100000038162 [0,1,0,1,0,0|0,0,2]=4 19780 B11R1.24 C/C=C/CN1CCCC(C1)O 269982a_100000211013_100102629194 [0,1,0,1,0,0|0,0,2]=4 19781 B11R1.24 C=CCCN1CCCC(C1)O 2230a_100000211013_100000754431 [0,1,0,1,0,0|0,0,2]=4 19782 B11R1.24 C=CCCN1CCCC(C1)O 269982a_100000211013_100000754431 [0,1,0,1,0,0|0,0,2]=4 19783 B11R1.24 C=CCNC1CCCC(C1)O 2230a_100015190357_100000210623 [0,1,0,1,0,0|0,0,2]=4 19784 B11R1.24 C=CCNC1CCCC(C1)O 270004a_100020586998_100012613340 [0,1,0,1,0,0|0,0,2]=4 19785 B11R1.24 CC#CCN1CCCC(C1)O 2230a_100000211013_100000748600 [0,1,0,1,0,0|0,0,2]=4 19786 B11R1.24 CC1CCCC(C1)NCCF 2230a_100011194320_100011217306 [0,1,0,1,0,0|2,0,0]=4 19787 B11R1.24 CC1CCCC(C1)NCCF 34a_100011194320_100011217306 [0,1,0,1,0,0|2,0,0]=4 19788 B11R1.24 CC1CCCC(C1)NCCO 2230a_100011194320_100000211926 [0,1,0,1,0,0|2,0,0]=4 19789 B11R1.24 CC1CCCC(C1)NCCO 270004a_100000210304_100000183594 [0,1,0,1,0,0|2,0,0]=4 19790 B11R1.24 CC1CCCC(C1)NCCO 34a_100011194320_100000211926 [0,1,0,1,0,0|2,0,0]=4 19791 B11R1.24 CC1CCCC(C1)OCCF 34a_100000211399_100011217306 [0,1,0,1,0,0|2,0,0]=4 19792 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,1,0,1,0,0|2,0,0]=4 19793 B11R1.24 CC1CCCN(C1)CCN[13CH3] 2230a_100000739826_200025704644 [0,1,0,1,0,0|2,0,0]=4 19794 B11R1.24 CC1CCCN(C1)CCS[13CH3] 62a_200025704644_100000766211 [0,1,0,1,0,0|2,0,0]=4 19795 B11R1.24 CC=CCN1CCCC(C1)O 2230a_100000211013_100000070051 [0,1,0,1,0,0|0,0,2]=4 19796 B11R1.24 CCCCN1CCCC(C1)F 2230a_100000697950_100000210211 [0,1,0,1,0,0|1,0,0]=3 19797 B11R1.24 CCCCN1CCCC(C1)F 269982a_100000697950_100000210211 [0,1,0,1,0,0|1,0,0]=3 19798 B11R1.24 CCCCN1CCCC(C1)F 34a_100000697950_100000210210 [0,1,0,1,0,0|1,0,0]=3 19799 B11R1.24 CCCCN1CCCC(C1)O 2230a_100000211013_100000210211 [0,1,0,1,0,0|0,0,0]=2 19800 B11R1.24 CCCCN1CCCC(C1)O 269982a_100000211013_100000210211 [0,1,0,1,0,0|0,0,0]=2 19801 B11R1.24 CCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210211 [0,1,0,1,0,0|1,0,0]=3 19802 B11R1.24 CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210211 [0,1,0,1,0,0|1,0,0]=3 19803 B11R1.24 CCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210210 [0,1,0,1,0,0|1,0,0]=3 19804 B11R1.24 CCCCN1CCOC(C1)C 2230a_100000729577_100000210211 [0,1,0,1,0,0|2,0,0]=4 19805 B11R1.24 CCCCN1CCOC(C1)C 269982a_100000729577_100000210211 [0,1,0,1,0,0|2,0,0]=4 19806 B11R1.24 CCCCN1CCOC(C1)C 34a_100000729577_100000210210 [0,1,0,1,0,0|2,0,0]=4 19807 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,1,0,1,0,0|1,0,0]=3 19808 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,1,0,1,0,0|1,0,0]=3 19809 B11R1.24 CCCNC1CCCC(C1)C 2230a_100011194320_100000210303 [0,1,0,1,0,0|1,0,0]=3 19810 B11R1.24 CCCNC1CCCC(C1)C 270004a_100020643023_100000183594 [0,1,0,1,0,0|1,0,0]=3 19811 B11R1.24 CCCNC1CCCC(C1)C 34a_100011194320_100000210303 [0,1,0,1,0,0|1,0,0]=3 19812 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,1,0,0|0,0,0]=2 19813 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,1,0,0|0,0,0]=2 19814 B11R1.24 CCCNC1CCN[C@@H](C1)C 270004a_100020643023_100016994030 [0,1,0,1,0,0|2,0,0]=4 19815 B11R1.24 CCCNC1CCOC(C1)C 270004a_100020643023_100000755752 [0,1,0,1,0,0|2,0,0]=4 19816 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,1,0,1,0,0|1,0,1]=4 19817 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|0,0,2]=4 19818 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,1,0,1,0,0|1,0,0]=3 19819 B11R1.24 CCCOC1CCCN(C1)C 2230a_100000743837_200000210301 [0,1,0,1,0,0|2,0,0]=4 19820 B11R1.24 CCCOC1CCCN(C1)C 269982a_100000743837_200000210301 [0,1,0,1,0,0|2,0,0]=4 19821 B11R1.24 CCCOC1CCCN(C1)C 34a_100000743837_200000210301 [0,1,0,1,0,0|2,0,0]=4 19822 B11R1.24 CCCOC1CCCN(C1)[13CH3] 2230a_100000743837_200025704644 [0,1,0,1,0,0|2,0,0]=4 19823 B11R1.24 CCCOC1CCCN(C1)[13CH3] 269982a_100000743837_200025704644 [0,1,0,1,0,0|2,0,0]=4 19824 B11R1.24 CCCOC1CCCN(C1)[13CH3] 34a_100000743837_200025704644 [0,1,0,1,0,0|2,0,0]=4 19825 B11R1.24 CCCOC1CCOC(C1)C 34a_100011986385_100000210303 [0,1,0,1,0,0|2,0,0]=4 19826 B11R1.24 CCCOC1CCOC(C1)C 7a_100011986385_100000210303 [0,1,0,1,0,0|2,0,0]=4 19827 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|0,0,0]=2 19828 B11R1.24 CCNN=C1CCCC(C1)O 4a_100000756455_100012613340 [0,1,0,1,0,0|1,0,1]=4 19829 B11R1.24 CCOCC1CCCN(C1)C 34a_100121572206_100015183302 [0,1,0,1,0,0|2,0,0]=4 19830 B11R1.24 CCOCC1CNCC(C1)C 34a_200012821172_100000210202 [0,1,0,1,0,0|2,0,0]=4 19831 B11R1.24 CCOCN1CCCC(C1)F 269982a_100000697950_100000739092 [0,1,0,1,0,0|2,0,0]=4 19832 B11R1.24 CCOCN1CCCC(C1)O 269982a_100000211013_100000739092 [0,1,0,1,0,0|1,0,0]=3 19833 B11R1.24 CCOCN1CCC[C@@H](C1)C 269982a_100000717927_100000739092 [0,1,0,1,0,0|2,0,0]=4 19834 B11R1.24 CCOCN1CCOC(C1)O 269982a_100000688207_100000739092 [0,1,0,1,0,0|2,0,0]=4 19835 B11R1.24 CCSCC1CCCN(C1)C 62a_100000210202_100000752043 [0,1,0,1,0,0|2,0,0]=4 19836 B11R1.24 CCSCC1CCCN(C1)C 62a_100000752043_100000210202 [0,1,0,1,0,0|2,0,0]=4 19837 B11R1.24 CN1CCCC(C1)CCCO 2230a_100150707839_200000210301 [0,1,0,1,0,0|2,0,0]=4 19838 B11R1.24 CN1CCCC(C1)CCCO 269982a_100150707839_200000210301 [0,1,0,1,0,0|2,0,0]=4 19839 B11R1.24 CN1CCCC(C1)CCCO 34a_100150707839_200000210301 [0,1,0,1,0,0|2,0,0]=4 19840 B11R1.24 CNCCN1CCCC(C1)C 2230a_100000739826_200000210301 [0,1,0,1,0,0|2,0,0]=4 19841 B11R1.24 CNCCN1CCCC(C1)C 2230a_106832991635_100000766211 [0,1,0,1,0,0|2,0,0]=4 19842 B11R1.24 CNCCN1CCCC(C1)C 34a_100102657272_100000766211 [0,1,0,1,0,0|2,0,0]=4 19843 B11R1.24 CNCCN1CCCC(C1)C 7a_106832991635_100000766211 [0,1,0,1,0,0|2,0,0]=4 19844 B11R1.24 COCCC1CCCN(C1)C 2230a_100011653411_200000210301 [0,1,0,1,0,0|2,0,0]=4 19845 B11R1.24 COCCC1CCCN(C1)C 269982a_100011653411_200000210301 [0,1,0,1,0,0|2,0,0]=4 19846 B11R1.24 COCCC1CCCN(C1)C 34a_100011653411_200000210301 [0,1,0,1,0,0|2,0,0]=4 19847 B11R1.24 COCCC1CCCN(C1)[13CH3] 2230a_100011653411_200025704644 [0,1,0,1,0,0|2,0,0]=4 19848 B11R1.24 COCCC1CCCN(C1)[13CH3] 269982a_100011653411_200025704644 [0,1,0,1,0,0|2,0,0]=4 19849 B11R1.24 COCCC1CCCN(C1)[13CH3] 34a_100011653411_200025704644 [0,1,0,1,0,0|2,0,0]=4 19850 B11R1.24 COCCN1CCCC(C1)C 34a_100138415774_100000766211 [0,1,0,1,0,0|2,0,0]=4 19851 B11R1.24 COCCN1CCCC(C1)F 2230a_100000697950_100011201679 [0,1,0,1,0,0|2,0,0]=4 19852 B11R1.24 COCCN1CCCC(C1)F 269982a_100000697950_100000233755 [0,1,0,1,0,0|2,0,0]=4 19853 B11R1.24 COCCN1CCCC(C1)F 34a_100000697950_100011201679 [0,1,0,1,0,0|2,0,0]=4 19854 B11R1.24 COCCN1CCCC(C1)O 2230a_100000211013_100011201679 [0,1,0,1,0,0|1,0,0]=3 19855 B11R1.24 COCCN1CCCC(C1)O 269982a_100000211013_100000233755 [0,1,0,1,0,0|1,0,0]=3 19856 B11R1.24 COCCN1CCC[C@@H](C1)C 2230a_100000717927_100011201679 [0,1,0,1,0,0|2,0,0]=4 19857 B11R1.24 COCCN1CCC[C@@H](C1)C 269982a_100000717927_100000233755 [0,1,0,1,0,0|2,0,0]=4 19858 B11R1.24 COCCN1CCC[C@@H](C1)C 34a_100000717927_100011201679 [0,1,0,1,0,0|2,0,0]=4 19859 B11R1.24 COCCN1CCOC(C1)O 2230a_100000688207_100011201679 [0,1,0,1,0,0|2,0,0]=4 19860 B11R1.24 COCCN1CCOC(C1)O 269982a_100000688207_100000233755 [0,1,0,1,0,0|2,0,0]=4 19861 B11R1.24 COCNC1CCCC(C1)C 2230a_100011194320_100000766300 [0,1,0,1,0,0|2,0,0]=4 19862 B11R1.24 COCNC1CCCC(C1)O 2230a_100015190357_100000766300 [0,1,0,1,0,0|1,0,0]=3 19863 B11R1.24 CSCCN1CCCC(C1)C 62a_200000210301_100000766211 [0,1,0,1,0,0|2,0,0]=4 19864 B11R1.24 CSCCN1CCCC(C1)F 2230a_100000697950_100000751147 [0,1,0,1,0,0|2,0,0]=4 19865 B11R1.24 CSCCN1CCCC(C1)F 269982a_100000697950_100000212216 [0,1,0,1,0,0|2,0,0]=4 19866 B11R1.24 CSCCN1CCCC(C1)F 34a_100000697950_100000212216 [0,1,0,1,0,0|2,0,0]=4 19867 B11R1.24 CSCCN1CCCC(C1)O 2230a_100000211013_100000751147 [0,1,0,1,0,0|1,0,0]=3 19868 B11R1.24 CSCCN1CCCC(C1)O 269982a_100000211013_100000212216 [0,1,0,1,0,0|1,0,0]=3 19869 B11R1.24 CSCCN1CCC[C@@H](C1)C 2230a_100000717927_100000751147 [0,1,0,1,0,0|2,0,0]=4 19870 B11R1.24 CSCCN1CCC[C@@H](C1)C 269982a_100000717927_100000212216 [0,1,0,1,0,0|2,0,0]=4 19871 B11R1.24 CSCCN1CCC[C@@H](C1)C 34a_100000717927_100000212216 [0,1,0,1,0,0|2,0,0]=4 19872 B11R1.24 CSCCN1CCOC(C1)O 2230a_100000688207_100000751147 [0,1,0,1,0,0|2,0,0]=4 19873 B11R1.24 CSCCN1CCOC(C1)O 269982a_100000688207_100000212216 [0,1,0,1,0,0|2,0,0]=4 19874 B11R1.24 CSCNC1CCCC(C1)C 2230a_100011194320_100011218213 [0,1,0,1,0,0|2,0,0]=4 19875 B11R1.24 CSCNC1CCCC(C1)C 34a_100011194320_100011218213 [0,1,0,1,0,0|2,0,0]=4 19876 B11R1.24 CSCNC1CCCC(C1)O 2230a_100015190357_100011218213 [0,1,0,1,0,0|1,0,0]=3 19877 B11R1.24 CSCOC1CCCC(C1)C 34a_100000211399_100011218213 [0,1,0,1,0,0|2,0,0]=4 19878 B11R1.24 C[C@H]1CCCN(C1)CCCF 2230a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 19879 B11R1.24 C[C@H]1CCCN(C1)CCCF 269982a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 19880 B11R1.24 C[C@H]1CCCN(C1)CCCF 34a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 19881 B11R1.24 C[C@H]1CCCN(C1)CCCO 2230a_100000717927_100000230001 [0,1,0,1,0,0|2,0,0]=4 19882 B11R1.24 C[C@H]1CCCN(C1)CCCO 269982a_100000717927_100011215043 [0,1,0,1,0,0|2,0,0]=4 19883 B11R1.24 C[C@H]1CCCN(C1)CCCO 34a_100000717927_100000230001 [0,1,0,1,0,0|2,0,0]=4 19884 B11R1.24 FCCCN1CCCC(C1)F 2230a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 19885 B11R1.24 FCCCN1CCCC(C1)F 269982a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 19886 B11R1.24 FCCCN1CCCC(C1)F 34a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 19887 B11R1.24 N#CCCN1CCCC(C1)O 2230a_100000211013_100011215226 [0,1,0,1,0,0|1,0,1]=4 19888 B11R1.24 N#CCCN1CCCC(C1)O 269982a_100000211013_100011215226 [0,1,0,1,0,0|1,0,1]=4 19889 B11R1.24 N#CCNC1CCCC(C1)O 2230a_100015190357_100011215382 [0,1,0,1,0,0|1,0,1]=4 19890 B11R1.24 O=CCNC1CCCC(C1)O 2230a_100015190357_200015260668 [0,1,0,1,0,0|1,0,1]=4 19891 B11R1.24 OC1CCCC(C1)NCCF 2230a_100015190357_100011217306 [0,1,0,1,0,0|1,0,0]=3 19892 B11R1.24 OC1CCCN(C1)CCCF 2230a_100000211013_100011934791 [0,1,0,1,0,0|1,0,0]=3 19893 B11R1.24 OC1CCCN(C1)CCCF 269982a_100000211013_100011934791 [0,1,0,1,0,0|1,0,0]=3 19894 B11R1.24 OC1CN(CCO1)CCCF 2230a_100000688207_100011934791 [0,1,0,1,0,0|2,0,0]=4 19895 B11R1.24 OC1CN(CCO1)CCCF 269982a_100000688207_100011934791 [0,1,0,1,0,0|2,0,0]=4 19896 B11R1.24 OCCCN1CCCC(C1)F 2230a_100000697950_100000230001 [0,1,0,1,0,0|2,0,0]=4 19897 B11R1.24 OCCCN1CCCC(C1)F 269982a_100000697950_100011215043 [0,1,0,1,0,0|2,0,0]=4 19898 B11R1.24 OCCCN1CCCC(C1)F 34a_100000697950_100000230001 [0,1,0,1,0,0|2,0,0]=4 19899 B11R1.24 OCCCN1CCCC(C1)O 2230a_100000211013_100000230001 [0,1,0,1,0,0|1,0,0]=3 19900 B11R1.24 OCCCN1CCCC(C1)O 269982a_100000211013_100011215043 [0,1,0,1,0,0|1,0,0]=3 19901 B11R1.24 OCCCN1CCOC(C1)O 2230a_100000688207_100000230001 [0,1,0,1,0,0|2,0,0]=4 19902 B11R1.24 OCCCN1CCOC(C1)O 269982a_100000688207_100011215043 [0,1,0,1,0,0|2,0,0]=4 19903 B11R1.24 OCCNC1CCCC(C1)O 2230a_100015190357_100000211926 [0,1,0,1,0,0|1,0,0]=3 19904 B11R1.24 OCCNC1CCCC(C1)O 270004a_100000210304_100012613340 [0,1,0,1,0,0|1,0,0]=3 19905 B11R1.24 [13CH3]N1CCCC(C1)CCCO 2230a_100150707839_200025704644 [0,1,0,1,0,0|2,0,0]=4 19906 B11R1.24 [13CH3]N1CCCC(C1)CCCO 269982a_100150707839_200025704644 [0,1,0,1,0,0|2,0,0]=4 19907 B11R1.24 [13CH3]N1CCCC(C1)CCCO 34a_100150707839_200025704644 [0,1,0,1,0,0|2,0,0]=4 19908 B11R1.27 C#CCCCN1CCC(C1)O 2230a_100011215560_100000731252 [0,1,0,1,0,0|0,0,2]=4 19909 B11R1.27 C#CCCCN1CCC(C1)O 269982a_100011215560_100011215417 [0,1,0,1,0,0|0,0,2]=4 19910 B11R1.27 C#CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000688953 [0,1,0,1,0,0|0,0,2]=4 19911 B11R1.27 C=CCCCN1CCC(C1)O 2230a_100011215560_100011713584 [0,1,0,1,0,0|0,0,2]=4 19912 B11R1.27 C=CCCCN1CCC(C1)O 269982a_100011215560_100000757094 [0,1,0,1,0,0|0,0,2]=4 19913 B11R1.27 C=CCCNC1CCC(C1)O 270004a_100015191253_100012614533 [0,1,0,1,0,0|0,0,2]=4 19914 B11R1.27 C=CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000754431 [0,1,0,1,0,0|0,0,2]=4 19915 B11R1.27 CC#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000748600 [0,1,0,1,0,0|0,0,2]=4 19916 B11R1.27 CC/C=C\CN1CCC(C1)O 2230a_100011215560_100103147603 [0,1,0,1,0,0|0,0,2]=4 19917 B11R1.27 CC/C=C\CN1CCC(C1)O 269982a_100011215560_100103147603 [0,1,0,1,0,0|0,0,2]=4 19918 B11R1.27 CC1CCC(C1)NCCCF 270004a_100015189416_100011215218 [0,1,0,1,0,0|2,0,0]=4 19919 B11R1.27 CC1CCC(C1)NCCCO 270004a_100000182051_100011215218 [0,1,0,1,0,0|2,0,0]=4 19920 B11R1.27 CC1CCC(C1)OCCCF 34a_100000698185_100011934791 [0,1,0,1,0,0|2,0,0]=4 19921 B11R1.27 CC1CCC(C1)OCCCO 34a_100000698185_100000230001 [0,1,0,1,0,0|2,0,0]=4 19922 B11R1.27 CC=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000070051 [0,1,0,1,0,0|0,0,2]=4 19923 B11R1.27 CCC#CCN1CCC(C1)O 2230a_100011215560_100009813939 [0,1,0,1,0,0|0,0,2]=4 19924 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|0,0,0]=2 19925 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|0,0,0]=2 19926 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,1,0,1,0,0|1,0,0]=3 19927 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,1,0,1,0,0|1,0,0]=3 19928 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,1,0,1,0,0|1,0,0]=3 19929 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,1,0,1,0,0|1,0,0]=3 19930 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,1,0,1,0,0|1,0,0]=3 19931 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,1,0,1,0,0|1,0,0]=3 19932 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,1,0,1,0,0|1,0,0]=3 19933 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,1,0,0|0,0,0]=2 19934 B11R1.27 CCCCNC1CCN(C1)C 7a_106832991798_200012183744 [0,1,0,1,0,0|2,0,0]=4 19935 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,1,0,0|0,0,0]=2 19936 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|0,0,2]=4 19937 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,1,0,1,0,0|1,0,0]=3 19938 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,1,0,1,0,0|2,0,0]=4 19939 B11R1.27 CCCCSC1CCN(C1)C 62a_100000210211_200012183744 [0,1,0,1,0,0|2,0,0]=4 19940 B11R1.27 CCCNN=C1CCC(C1)O 4a_100000740057_100012614533 [0,1,0,1,0,0|1,0,1]=4 19941 B11R1.27 CCCOCC1CCN(C1)C 2230a_200011652792_200000210301 [0,1,0,1,0,0|2,0,0]=4 19942 B11R1.27 CCCOCC1CCN(C1)C 269982a_200011652792_200000210301 [0,1,0,1,0,0|2,0,0]=4 19943 B11R1.27 CCCOCC1CCN(C1)C 34a_100000210258_200000690779 [0,1,0,1,0,0|2,0,0]=4 19944 B11R1.27 CCCOCC1CCN(C1)C 34a_200011652792_200000210301 [0,1,0,1,0,0|2,0,0]=4 19945 B11R1.27 CCCOCC1CCN(C1)[13CH3] 2230a_200011652792_200025704644 [0,1,0,1,0,0|2,0,0]=4 19946 B11R1.27 CCCOCC1CCN(C1)[13CH3] 269982a_200011652792_200025704644 [0,1,0,1,0,0|2,0,0]=4 19947 B11R1.27 CCCOCC1CCN(C1)[13CH3] 34a_200011652792_200025704644 [0,1,0,1,0,0|2,0,0]=4 19948 B11R1.27 CCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210303 [0,1,0,1,0,0|2,0,0]=4 19949 B11R1.27 CCCSCC1CCN(C1)C 62a_100000210303_200000690779 [0,1,0,1,0,0|2,0,0]=4 19950 B11R1.27 CCCSCC1CCN(C1)C 62a_200000690779_100000210303 [0,1,0,1,0,0|2,0,0]=4 19951 B11R1.27 CCOCCN1CCC(C1)O 2230a_100011215560_100011215890 [0,1,0,1,0,0|1,0,0]=3 19952 B11R1.27 CCOCCN1CCC(C1)O 269982a_100011215560_100011215890 [0,1,0,1,0,0|1,0,0]=3 19953 B11R1.27 CCOCCN1CC[C@@H](C1)F 2230a_100015203821_100011215890 [0,1,0,1,0,0|2,0,0]=4 19954 B11R1.27 CCOCCN1CC[C@@H](C1)F 269982a_100015203821_100011215890 [0,1,0,1,0,0|2,0,0]=4 19955 B11R1.27 CCOCCN1CC[C@@H](C1)F 34a_100015203821_100000210147 [0,1,0,1,0,0|2,0,0]=4 19956 B11R1.27 CCOCCN1CC[C@H](C1)C 2230a_100016987628_100011215890 [0,1,0,1,0,0|2,0,0]=4 19957 B11R1.27 CCOCCN1CC[C@H](C1)C 269982a_100016987628_100011215890 [0,1,0,1,0,0|2,0,0]=4 19958 B11R1.27 CCOCCN1CC[C@H](C1)C 34a_100016987628_100000210147 [0,1,0,1,0,0|2,0,0]=4 19959 B11R1.27 CCSCCN1CCC(C1)O 2230a_100011215560_100000757381 [0,1,0,1,0,0|1,0,0]=3 19960 B11R1.27 CCSCCN1CCC(C1)O 269982a_100011215560_100000757381 [0,1,0,1,0,0|1,0,0]=3 19961 B11R1.27 CCSCCN1CC[C@@H](C1)F 2230a_100015203821_100000757381 [0,1,0,1,0,0|2,0,0]=4 19962 B11R1.27 CCSCCN1CC[C@@H](C1)F 269982a_100015203821_100000757381 [0,1,0,1,0,0|2,0,0]=4 19963 B11R1.27 CCSCCN1CC[C@@H](C1)F 34a_100015203821_100000757381 [0,1,0,1,0,0|2,0,0]=4 19964 B11R1.27 CCSCCN1CC[C@H](C1)C 2230a_100016987628_100000757381 [0,1,0,1,0,0|2,0,0]=4 19965 B11R1.27 CCSCCN1CC[C@H](C1)C 269982a_100016987628_100000757381 [0,1,0,1,0,0|2,0,0]=4 19966 B11R1.27 CCSCCN1CC[C@H](C1)C 34a_100016987628_100000757381 [0,1,0,1,0,0|2,0,0]=4 19967 B11R1.27 COCCCN1CCC(C1)O 2230a_100011215560_100000740836 [0,1,0,1,0,0|1,0,0]=3 19968 B11R1.27 COCCCN1CCC(C1)O 269982a_100011215560_100000740836 [0,1,0,1,0,0|1,0,0]=3 19969 B11R1.27 COCCCN1CC[C@@H](C1)F 2230a_100015203821_100000740836 [0,1,0,1,0,0|2,0,0]=4 19970 B11R1.27 COCCCN1CC[C@@H](C1)F 269982a_100015203821_100000740836 [0,1,0,1,0,0|2,0,0]=4 19971 B11R1.27 COCCCN1CC[C@@H](C1)F 34a_100015203821_100000740836 [0,1,0,1,0,0|2,0,0]=4 19972 B11R1.27 COCCCN1CC[C@H](C1)C 2230a_100016987628_100000740836 [0,1,0,1,0,0|2,0,0]=4 19973 B11R1.27 COCCCN1CC[C@H](C1)C 269982a_100016987628_100000740836 [0,1,0,1,0,0|2,0,0]=4 19974 B11R1.27 COCCCN1CC[C@H](C1)C 34a_100016987628_100000740836 [0,1,0,1,0,0|2,0,0]=4 19975 B11R1.27 COCCNC1CCC(C1)C 270004a_100000209980_100011215218 [0,1,0,1,0,0|2,0,0]=4 19976 B11R1.27 COCCNC1CCC(C1)O 270004a_100000209980_100012614533 [0,1,0,1,0,0|1,0,0]=3 19977 B11R1.27 COCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011201679 [0,1,0,1,0,0|1,0,0]=3 19978 B11R1.27 COCCOC1CCC(C1)C 34a_100000698185_100011201679 [0,1,0,1,0,0|2,0,0]=4 19979 B11R1.27 CSCCNC1CCC(C1)C 270004a_100020590264_100011215218 [0,1,0,1,0,0|2,0,0]=4 19980 B11R1.27 CSCCNC1CCC(C1)O 270004a_100020590264_100012614533 [0,1,0,1,0,0|1,0,0]=3 19981 B11R1.27 CSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000751147 [0,1,0,1,0,0|1,0,0]=3 19982 B11R1.27 CSCCOC1CCC(C1)C 34a_100000698185_100000212216 [0,1,0,1,0,0|2,0,0]=4 19983 B11R1.27 C[C@@H]1CCN(C1)CCCCF 2230a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 19984 B11R1.27 C[C@@H]1CCN(C1)CCCCF 269982a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 19985 B11R1.27 C[C@@H]1CCN(C1)CCCCF 34a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 19986 B11R1.27 C[C@@H]1CCN(C1)CCCCO 2230a_100016987628_100000210776 [0,1,0,1,0,0|2,0,0]=4 19987 B11R1.27 C[C@@H]1CCN(C1)CCCCO 269982a_100016987628_100000210776 [0,1,0,1,0,0|2,0,0]=4 19988 B11R1.27 C[C@@H]1CCN(C1)CCCCO 34a_100016987628_100011216708 [0,1,0,1,0,0|2,0,0]=4 19989 B11R1.27 FCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 19990 B11R1.27 FCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 19991 B11R1.27 FCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 19992 B11R1.27 N#CCCCN1CCC(C1)O 2230a_100011215560_100000687738 [0,1,0,1,0,0|1,0,1]=4 19993 B11R1.27 N#CCCCN1CCC(C1)O 269982a_100011215560_100000687738 [0,1,0,1,0,0|1,0,1]=4 19994 B11R1.27 N#CCCNC1CCC(C1)O 270004a_100000720768_100012614533 [0,1,0,1,0,0|1,0,1]=4 19995 B11R1.27 N#CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215226 [0,1,0,1,0,0|1,0,1]=4 19996 B11R1.27 O=CCCCN1CCC(C1)O 2230a_100011215560_200011292268 [0,1,0,1,0,0|1,0,1]=4 19997 B11R1.27 O=CCCCN1CCC(C1)O 269982a_100011215560_200011292268 [0,1,0,1,0,0|1,0,1]=4 19998 B11R1.27 OC1CCC(C1)NCCCF 270004a_100015189416_100012614533 [0,1,0,1,0,0|1,0,0]=3 19999 B11R1.27 OC1CCN(C1)CCCCF 2230a_100011215560_100000729493 [0,1,0,1,0,0|1,0,0]=3 20000 B11R1.27 OC1CCN(C1)CCCCF 269982a_100011215560_100000729493 [0,1,0,1,0,0|1,0,0]=3 20001 B11R1.27 OCCCCN1CCC(C1)O 2230a_100011215560_100000210776 [0,1,0,1,0,0|1,0,0]=3 20002 B11R1.27 OCCCCN1CCC(C1)O 269982a_100011215560_100000210776 [0,1,0,1,0,0|1,0,0]=3 20003 B11R1.27 OCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210776 [0,1,0,1,0,0|2,0,0]=4 20004 B11R1.27 OCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210776 [0,1,0,1,0,0|2,0,0]=4 20005 B11R1.27 OCCCCN1CC[C@@H](C1)F 34a_100015203821_100011216708 [0,1,0,1,0,0|2,0,0]=4 20006 B11R1.27 OCCCNC1CCC(C1)O 270004a_100000182051_100012614533 [0,1,0,1,0,0|1,0,0]=3 20007 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000230001 [0,1,0,1,0,0|1,0,0]=3 20008 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCF 2230a_100015195300_100011934791 [0,1,0,1,0,0|1,0,0]=3 20009 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,1,0,1,0,0|2,0,0]=4 20010 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,1,0,1,0,0|2,0,0]=4 20011 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,1,0,1,0,0|2,0,0]=4 20012 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,1,0,1,0,0|2,0,0]=4 20013 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,1,0,1,0,0|1,0,0]=3 20014 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,1,0,1,0,0|1,0,0]=3 20015 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,1,0,1,0,0|1,0,0]=3 20016 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,1,0,1,0,0|1,0,0]=3 20017 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,1,0,1,0,0|1,0,0]=3 20018 B11R1.46 CCCCOCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011995733 [0,1,0,1,0,0|2,0,0]=4 20019 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 2230a_100025746932_100011995733 [0,1,0,1,0,0|2,0,0]=4 20020 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 34a_100025746932_100011995733 [0,1,0,1,0,0|2,0,0]=4 20021 B11R1.46 CCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215938 [0,1,0,1,0,0|2,0,0]=4 20022 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215938 [0,1,0,1,0,0|2,0,0]=4 20023 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215938 [0,1,0,1,0,0|2,0,0]=4 20024 B11R1.46 CCOCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012232248 [0,1,0,1,0,0|2,0,0]=4 20025 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100012232248 [0,1,0,1,0,0|2,0,0]=4 20026 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 34a_100025746932_100012232248 [0,1,0,1,0,0|2,0,0]=4 20027 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [0,1,0,1,0,0|2,0,0]=4 20028 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [0,1,0,1,0,0|2,0,0]=4 20029 B11R1.46 CCSCCOCC1CC1C 34a_100000744939_100000757381 [0,1,0,1,0,0|2,0,0]=4 20030 B11R1.46 CCSCCOCC1CC1C 7a_100000744939_100000757381 [0,1,0,1,0,0|2,0,0]=4 20031 B11R1.46 COCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730899 [0,1,0,1,0,0|2,0,0]=4 20032 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000730899 [0,1,0,1,0,0|2,0,0]=4 20033 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000755781 [0,1,0,1,0,0|2,0,0]=4 20034 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,1,0,1,0,0|2,0,0]=4 20035 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,1,0,1,0,0|2,0,0]=4 20036 B11R1.46 FCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729378 [0,1,0,1,0,0|2,0,0]=4 20037 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729378 [0,1,0,1,0,0|2,0,0]=4 20038 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729378 [0,1,0,1,0,0|2,0,0]=4 20039 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [0,1,0,1,0,0|2,0,0]=4 20040 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [0,1,0,1,0,0|2,0,0]=4 20041 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [0,1,0,1,0,0|2,0,0]=4 20042 B11R1.53 CC(C)C1CCCCC1O[13CH3] 34a_100011709184_200025704644 [0,1,0,1,0,0|1,0,0]=3 20043 B11R1.53 CC(C)C1CCCCC1O[13CH3] 7a_100011709184_200025704644 [0,1,0,1,0,0|1,0,0]=3 20044 B11R1.53 CC(C)C1CCCCN1CF 269982a_100000757267_100015361967 [0,1,0,1,0,0|2,0,0]=4 20045 B11R1.53 CC(C)C1CCCCN1CF 34a_100000757267_100015361967 [0,1,0,1,0,0|2,0,0]=4 20046 B11R1.53 CC(C)N1CCCCC1CO 2230a_100000210821_100000210206 [0,1,0,1,0,0|2,0,0]=4 20047 B11R1.53 CC(C)N1CCCCC1CO 269982a_100000210821_100000210206 [0,1,0,1,0,0|2,0,0]=4 20048 B11R1.53 CC(C)N1CCCCC1CO 34a_100000210821_100000210206 [0,1,0,1,0,0|2,0,0]=4 20049 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,1,0,1,0,0|2,0,0]=4 20050 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,1,0,1,0,0|0,0,2]=4 20051 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,1,0,1,0,0|0,0,2]=4 20052 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,1,0,1,0,0|0,0,2]=4 20053 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,1,0,1,0,0|0,0,2]=4 20054 B11R1.53 CCC1CCCCN1C(C)C 2230a_100000210034_100000210206 [0,1,0,1,0,0|1,0,0]=3 20055 B11R1.53 CCC1CCCCN1C(C)C 269982a_100000210034_100000210206 [0,1,0,1,0,0|1,0,0]=3 20056 B11R1.53 CCC1CCCCN1C(C)C 34a_100000210034_100000210206 [0,1,0,1,0,0|1,0,0]=3 20057 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|0,0,2]=4 20058 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|0,0,2]=4 20059 B11R1.53 CCN1CCCCC1C(C)C 2230a_100000757267_100000210202 [0,1,0,1,0,0|1,0,0]=3 20060 B11R1.53 CCN1CCCCC1C(C)C 269982a_100000757267_100000204670 [0,1,0,1,0,0|1,0,0]=3 20061 B11R1.53 CCN1CCCCC1C(C)C 34a_100000757267_100000210202 [0,1,0,1,0,0|1,0,0]=3 20062 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|1,0,1]=4 20063 B11R1.53 CCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100000210202 [0,1,0,1,0,0|2,0,0]=4 20064 B11R1.53 CCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000204670 [0,1,0,1,0,0|2,0,0]=4 20065 B11R1.53 CCN1CCOC[C@@H]1C(C)C 34a_100025712635_100000210202 [0,1,0,1,0,0|2,0,0]=4 20066 B11R1.53 CC[C@H]1COCCN1C(C)C 2230a_100016988097_100000210206 [0,1,0,1,0,0|2,0,0]=4 20067 B11R1.53 CC[C@H]1COCCN1C(C)C 269982a_100016988097_100000210206 [0,1,0,1,0,0|2,0,0]=4 20068 B11R1.53 CC[C@H]1COCCN1C(C)C 34a_100016988097_100000210206 [0,1,0,1,0,0|2,0,0]=4 20069 B11R1.53 CN(C)C1CCCCC1CO 270004a_100102631434_100009861125 [0,1,0,1,0,0|2,0,0]=4 20070 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|1,0,1]=4 20071 B11R1.53 COC1CCCCC1C(C)C 34a_100011709184_200000210301 [0,1,0,1,0,0|1,0,0]=3 20072 B11R1.53 COC1CCCCC1C(C)C 7a_100011709184_200000210301 [0,1,0,1,0,0|1,0,0]=3 20073 B11R1.53 COC1CCCCC1N(C)C 270004a_100102631434_100000740605 [0,1,0,1,0,0|2,0,0]=4 20074 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|1,0,1]=4 20075 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [0,1,0,1,0,0|1,0,1]=4 20076 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [0,1,0,1,0,0|1,0,1]=4 20077 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [0,1,0,1,0,0|1,0,1]=4 20078 B11R1.57 CC(C)CC1CCCN1CF 269982a_100000748429_100015361967 [0,1,0,1,0,0|2,0,0]=4 20079 B11R1.57 CC(C)CC1CCCN1CF 34a_100000748429_100015361967 [0,1,0,1,0,0|2,0,0]=4 20080 B11R1.57 CC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000210760 [0,1,0,1,0,0|2,0,0]=4 20081 B11R1.57 CC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000210624 [0,1,0,1,0,0|2,0,0]=4 20082 B11R1.57 CC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000210432 [0,1,0,1,0,0|2,0,0]=4 20083 B11R1.57 CC(C)CN1CCC[C@@H]1CO 34a_100000745186_100000210624 [0,1,0,1,0,0|2,0,0]=4 20084 B11R1.57 CC(O)CN1CCCC1C#N 2230a_100000701862_100011218427 [0,1,0,1,0,0|1,0,1]=4 20085 B11R1.57 CC(O)CN1CCC[C@@H]1C#N 2230a_106645074975_100011218427 [0,1,0,1,0,0|1,0,1]=4 20086 B11R1.57 CC(O)CN1CCC[C@@H]1C#N 269982a_106645074975_100011218427 [0,1,0,1,0,0|1,0,1]=4 20087 B11R1.57 CC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 20088 B11R1.57 CC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 20089 B11R1.57 CC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218427 [0,1,0,1,0,0|1,0,0]=3 20090 B11R1.57 CCC1C=CCN1CC(C)O 2230a_100000730860_100011218427 [0,1,0,1,0,0|0,0,2]=4 20091 B11R1.57 CCC1C=CCN1CC(C)O 269982a_100000730860_100011218427 [0,1,0,1,0,0|0,0,2]=4 20092 B11R1.57 CCC1C=CCN1CC(C)O 34a_100000730860_100011218427 [0,1,0,1,0,0|0,0,2]=4 20093 B11R1.57 CCC1C=CCN1C[C@@H](C)O 2230a_100000730860_100009817552 [0,1,0,1,0,0|0,0,2]=4 20094 B11R1.57 CCC1C=CCN1C[C@@H](C)O 269982a_100000730860_100009817552 [0,1,0,1,0,0|0,0,2]=4 20095 B11R1.57 CCC1C=CCN1C[C@@H](C)O 34a_100000730860_100009817552 [0,1,0,1,0,0|0,0,2]=4 20096 B11R1.57 CCC1CCCN1CC(C)C 2230a_100000754278_100000210760 [0,1,0,1,0,0|1,0,0]=3 20097 B11R1.57 CCC1CCCN1CC(C)C 269982a_100000754278_100000210624 [0,1,0,1,0,0|1,0,0]=3 20098 B11R1.57 CCC1CCCN1CC(C)C 270004a_100000754278_100000210432 [0,1,0,1,0,0|1,0,0]=3 20099 B11R1.57 CCC1CCCN1CC(C)C 34a_100000754278_100000210624 [0,1,0,1,0,0|1,0,0]=3 20100 B11R1.57 CCC1CCCN1CC(C)O 2230a_100000754278_100011218427 [0,1,0,1,0,0|0,0,0]=2 20101 B11R1.57 CCC1CCCN1CC(C)O 269982a_100000754278_100011218427 [0,1,0,1,0,0|0,0,0]=2 20102 B11R1.57 CCC1CCCN1CC(C)O 34a_100000754278_100011218427 [0,1,0,1,0,0|0,0,0]=2 20103 B11R1.57 CCC1CCCN1CC(F)F 2230a_100000754278_100011934356 [0,1,0,1,0,0|2,0,0]=4 20104 B11R1.57 CCC1CCCN1CC(F)F 269982a_100000754278_100011934356 [0,1,0,1,0,0|2,0,0]=4 20105 B11R1.57 CCC1CCCN1CC(F)F 34a_100000754278_100011934356 [0,1,0,1,0,0|2,0,0]=4 20106 B11R1.57 CCC1CCCN1C[C@@H](C)O 2230a_100000754278_100009817552 [0,1,0,1,0,0|0,0,0]=2 20107 B11R1.57 CCC1CCCN1C[C@@H](C)O 269982a_100000754278_100009817552 [0,1,0,1,0,0|0,0,0]=2 20108 B11R1.57 CCC1CCCN1C[C@@H](C)O 34a_100000754278_100009817552 [0,1,0,1,0,0|0,0,0]=2 20109 B11R1.57 CCN1CCCC1CC(C)C 2230a_100000748429_100000210202 [0,1,0,1,0,0|1,0,0]=3 20110 B11R1.57 CCN1CCCC1CC(C)C 269982a_100000748429_100000204670 [0,1,0,1,0,0|1,0,0]=3 20111 B11R1.57 CCN1CCCC1CC(C)C 34a_100000748429_100000210202 [0,1,0,1,0,0|1,0,0]=3 20112 B11R1.57 CCN1CCC[C@@H]1CN(C)C 269982a_200020645772_100000204670 [0,1,0,1,0,0|2,0,0]=4 20113 B11R1.57 C[C@@H](O)CN1CCCC1C#N 2230a_100000701862_100009817552 [0,1,0,1,0,0|1,0,1]=4 20114 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1C#N 2230a_106645074975_100009817552 [0,1,0,1,0,0|1,0,1]=4 20115 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1C#N 269982a_106645074975_100009817552 [0,1,0,1,0,0|1,0,1]=4 20116 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 20117 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 269982a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 20118 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009817552 [0,1,0,1,0,0|1,0,0]=3 20119 B11R1.78 C#CCCCCN1CC(C1)O 269982a_100000749847_100010269958 [0,1,0,1,0,0|0,0,2]=4 20120 B11R1.78 C#CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000731252 [0,1,0,1,0,0|0,0,2]=4 20121 B11R1.78 C#CCCNCC1CC(C1)O 2230a_100016992100_100000688953 [0,1,0,1,0,0|0,0,2]=4 20122 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [0,1,0,1,0,0|1,0,1]=4 20123 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [0,1,0,1,0,0|1,0,1]=4 20124 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [0,1,0,1,0,0|1,0,1]=4 20125 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [0,1,0,1,0,0|1,0,1]=4 20126 B11R1.78 C=CCCCCN1CC(C1)O 269982a_100000749847_100011215482 [0,1,0,1,0,0|0,0,2]=4 20127 B11R1.78 C=CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011713584 [0,1,0,1,0,0|0,0,2]=4 20128 B11R1.78 C=CCCNCC1CC(C1)O 2230a_100016992100_100000754431 [0,1,0,1,0,0|0,0,2]=4 20129 B11R1.78 CC#CCNCC1CC(C1)O 2230a_100016992100_100000748600 [0,1,0,1,0,0|0,0,2]=4 20130 B11R1.78 CC/C=C\CCN1CC(C1)O 269982a_100000749847_100015370543 [0,1,0,1,0,0|0,0,2]=4 20131 B11R1.78 CC/C=C\CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100103147603 [0,1,0,1,0,0|0,0,2]=4 20132 B11R1.78 CC1CN(C1)CCCCCF 2230a_100000702820_100000729378 [0,1,0,1,0,0|2,0,0]=4 20133 B11R1.78 CC1CN(C1)CCCCCF 269982a_100000702820_100000729378 [0,1,0,1,0,0|2,0,0]=4 20134 B11R1.78 CC1CN(C1)CCCCCF 34a_100000702820_100000729378 [0,1,0,1,0,0|2,0,0]=4 20135 B11R1.78 CC1CN(C1)CCCCCO 2230a_100000702820_100000746330 [0,1,0,1,0,0|2,0,0]=4 20136 B11R1.78 CC1CN(C1)CCCCCO 269982a_100000702820_100000746330 [0,1,0,1,0,0|2,0,0]=4 20137 B11R1.78 CC1CN(C1)CCCCCO 34a_100000702820_100000746330 [0,1,0,1,0,0|2,0,0]=4 20138 B11R1.78 CC=CCNCC1CC(C1)O 2230a_100016992100_100000070051 [0,1,0,1,0,0|0,0,2]=4 20139 B11R1.78 CCC#CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009813939 [0,1,0,1,0,0|0,0,2]=4 20140 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [0,1,0,1,0,0|1,0,0]=3 20141 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [0,1,0,1,0,0|1,0,0]=3 20142 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [0,1,0,1,0,0|1,0,0]=3 20143 B11R1.78 CCCCCCN1CC(C1)F 2230a_100000690557_100000210314 [0,1,0,1,0,0|1,0,0]=3 20144 B11R1.78 CCCCCCN1CC(C1)F 269982a_100000690557_100000210757 [0,1,0,1,0,0|1,0,0]=3 20145 B11R1.78 CCCCCCN1CC(C1)F 34a_100000690557_100000210314 [0,1,0,1,0,0|1,0,0]=3 20146 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|0,0,0]=2 20147 B11R1.78 CCCCCNC1CC(C1)F 2230a_100016993743_100000210326 [0,1,0,1,0,0|1,0,0]=3 20148 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,1,0,1,0,0|0,0,0]=2 20149 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,1,0,1,0,0|0,0,2]=4 20150 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,1,0,1,0,0|0,0,2]=4 20151 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,1,0,1,0,0|0,0,2]=4 20152 B11R1.78 CCCCNCC1CC(C1)O 2230a_100016992100_100000210211 [0,1,0,1,0,0|0,0,0]=2 20153 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,1,0,1,0,0|0,0,2]=4 20154 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,1,0,1,0,0|0,0,2]=4 20155 B11R1.78 CCCCOCC1CC(C1)Cl 34a_100009874164_100000210210 [0,1,0,1,0,0|1,0,0]=3 20156 B11R1.78 CCCCOCN1CC(C1)C 2230a_100000702820_100011995733 [0,1,0,1,0,0|2,0,0]=4 20157 B11R1.78 CCCCOCN1CC(C1)C 269982a_100000702820_100011995733 [0,1,0,1,0,0|2,0,0]=4 20158 B11R1.78 CCCCOCN1CC(C1)C 34a_100000702820_100011995733 [0,1,0,1,0,0|2,0,0]=4 20159 B11R1.78 CCCCOCN1CC(C1)F 2230a_100000690557_100011995733 [0,1,0,1,0,0|2,0,0]=4 20160 B11R1.78 CCCCOCN1CC(C1)F 269982a_100000690557_100011995733 [0,1,0,1,0,0|2,0,0]=4 20161 B11R1.78 CCCCOCN1CC(C1)F 34a_100000690557_100011995733 [0,1,0,1,0,0|2,0,0]=4 20162 B11R1.78 CCCCOCN1CC(C1)O 269982a_100000749847_100011995733 [0,1,0,1,0,0|1,0,0]=3 20163 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,1,0,1,0,0|0,0,2]=4 20164 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,1,0,1,0,0|0,0,2]=4 20165 B11R1.78 CCCOCCN1CC(C1)C 2230a_100000702820_100011215938 [0,1,0,1,0,0|2,0,0]=4 20166 B11R1.78 CCCOCCN1CC(C1)C 269982a_100000702820_100011215938 [0,1,0,1,0,0|2,0,0]=4 20167 B11R1.78 CCCOCCN1CC(C1)C 34a_100000702820_100011215938 [0,1,0,1,0,0|2,0,0]=4 20168 B11R1.78 CCCOCCN1CC(C1)F 2230a_100000690557_100011215938 [0,1,0,1,0,0|2,0,0]=4 20169 B11R1.78 CCCOCCN1CC(C1)F 269982a_100000690557_100011215938 [0,1,0,1,0,0|2,0,0]=4 20170 B11R1.78 CCCOCCN1CC(C1)F 34a_100000690557_100011215938 [0,1,0,1,0,0|2,0,0]=4 20171 B11R1.78 CCCOCCN1CC(C1)O 269982a_100000749847_100011215938 [0,1,0,1,0,0|1,0,0]=3 20172 B11R1.78 CCOCCCN1CC(C1)C 2230a_100000702820_100012232248 [0,1,0,1,0,0|2,0,0]=4 20173 B11R1.78 CCOCCCN1CC(C1)C 269982a_100000702820_100012232248 [0,1,0,1,0,0|2,0,0]=4 20174 B11R1.78 CCOCCCN1CC(C1)C 34a_100000702820_100012232248 [0,1,0,1,0,0|2,0,0]=4 20175 B11R1.78 CCOCCCN1CC(C1)F 2230a_100000690557_100012232248 [0,1,0,1,0,0|2,0,0]=4 20176 B11R1.78 CCOCCCN1CC(C1)F 269982a_100000690557_100012232248 [0,1,0,1,0,0|2,0,0]=4 20177 B11R1.78 CCOCCCN1CC(C1)F 34a_100000690557_100012232248 [0,1,0,1,0,0|2,0,0]=4 20178 B11R1.78 CCOCCCN1CC(C1)O 269982a_100000749847_100012232248 [0,1,0,1,0,0|1,0,0]=3 20179 B11R1.78 CCOCCNC1CC(C1)F 2230a_100016993743_100011215890 [0,1,0,1,0,0|2,0,0]=4 20180 B11R1.78 CCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215890 [0,1,0,1,0,0|1,0,0]=3 20181 B11R1.78 CCSCCNC1CC(C1)F 2230a_100016993743_100000757381 [0,1,0,1,0,0|2,0,0]=4 20182 B11R1.78 CCSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000757381 [0,1,0,1,0,0|1,0,0]=3 20183 B11R1.78 COCCCCN1CC(C1)C 2230a_100000702820_100000730899 [0,1,0,1,0,0|2,0,0]=4 20184 B11R1.78 COCCCCN1CC(C1)C 269982a_100000702820_100000730899 [0,1,0,1,0,0|2,0,0]=4 20185 B11R1.78 COCCCCN1CC(C1)C 34a_100000702820_100000755781 [0,1,0,1,0,0|2,0,0]=4 20186 B11R1.78 COCCCCN1CC(C1)F 2230a_100000690557_100000730899 [0,1,0,1,0,0|2,0,0]=4 20187 B11R1.78 COCCCCN1CC(C1)F 269982a_100000690557_100000730899 [0,1,0,1,0,0|2,0,0]=4 20188 B11R1.78 COCCCCN1CC(C1)F 34a_100000690557_100000755781 [0,1,0,1,0,0|2,0,0]=4 20189 B11R1.78 COCCCCN1CC(C1)O 269982a_100000749847_100000730899 [0,1,0,1,0,0|1,0,0]=3 20190 B11R1.78 COCCCNC1CC(C1)F 2230a_100016993743_100000740836 [0,1,0,1,0,0|2,0,0]=4 20191 B11R1.78 COCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000740836 [0,1,0,1,0,0|1,0,0]=3 20192 B11R1.78 COCCNCC1CC(C1)O 2230a_100016992100_100011201679 [0,1,0,1,0,0|1,0,0]=3 20193 B11R1.78 COCCOCC1CC(C1)Cl 34a_100009874164_100011201679 [0,1,0,1,0,0|2,0,0]=4 20194 B11R1.78 COCCOCN1CC(C1)O 269982a_100000749847_100000231047 [0,1,0,1,0,0|2,0,0]=4 20195 B11R1.78 CSCCNCC1CC(C1)O 2230a_100016992100_100000751147 [0,1,0,1,0,0|1,0,0]=3 20196 B11R1.78 CSCCOCC1CC(C1)Cl 34a_100009874164_100000212216 [0,1,0,1,0,0|2,0,0]=4 20197 B11R1.78 FCCCCCN1CC(C1)F 2230a_100000690557_100000729378 [0,1,0,1,0,0|2,0,0]=4 20198 B11R1.78 FCCCCCN1CC(C1)F 269982a_100000690557_100000729378 [0,1,0,1,0,0|2,0,0]=4 20199 B11R1.78 FCCCCCN1CC(C1)F 34a_100000690557_100000729378 [0,1,0,1,0,0|2,0,0]=4 20200 B11R1.78 FCCCCNC1CC(C1)F 2230a_100016993743_100000729493 [0,1,0,1,0,0|2,0,0]=4 20201 B11R1.78 FCCCOCC1CC(C1)Cl 34a_100009874164_100011934791 [0,1,0,1,0,0|2,0,0]=4 20202 B11R1.78 N#CCCCCN1CC(C1)O 269982a_100000749847_100011219923 [0,1,0,1,0,0|1,0,1]=4 20203 B11R1.78 N#CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000687738 [0,1,0,1,0,0|1,0,1]=4 20204 B11R1.78 N#CCCNCC1CC(C1)O 2230a_100016992100_100011215226 [0,1,0,1,0,0|1,0,1]=4 20205 B11R1.78 O=CCCCCN1CC(C1)O 269982a_100000749847_100000139335 [0,1,0,1,0,0|1,0,1]=4 20206 B11R1.78 O=CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200011292268 [0,1,0,1,0,0|1,0,1]=4 20207 B11R1.78 OC1CC(C1)CNCCCF 2230a_100016992100_100011934791 [0,1,0,1,0,0|1,0,0]=3 20208 B11R1.78 OC1CN(C1)CCCCCF 269982a_100000749847_100000729378 [0,1,0,1,0,0|1,0,0]=3 20209 B11R1.78 OCCCCCN1CC(C1)F 2230a_100000690557_100000746330 [0,1,0,1,0,0|2,0,0]=4 20210 B11R1.78 OCCCCCN1CC(C1)F 269982a_100000690557_100000746330 [0,1,0,1,0,0|2,0,0]=4 20211 B11R1.78 OCCCCCN1CC(C1)F 34a_100000690557_100000746330 [0,1,0,1,0,0|2,0,0]=4 20212 B11R1.78 OCCCCCN1CC(C1)O 269982a_100000749847_100000746330 [0,1,0,1,0,0|1,0,0]=3 20213 B11R1.78 OCCCCNC1CC(C1)F 2230a_100016993743_100000210776 [0,1,0,1,0,0|2,0,0]=4 20214 B11R1.78 OCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210776 [0,1,0,1,0,0|1,0,0]=3 20215 B11R1.78 OCCCNCC1CC(C1)O 2230a_100016992100_100000230001 [0,1,0,1,0,0|1,0,0]=3 20216 B11R1.78 OCCCOCC1CC(C1)Cl 34a_100009874164_100000230001 [0,1,0,1,0,0|2,0,0]=4 20217 B11R1.78 OCCOCCN1CC(C1)O 269982a_100000749847_100011215305 [0,1,0,1,0,0|2,0,0]=4 20218 B11R1.78 O[C@H]1C[C@@H](C1)NCCCCF 2230a_100020629032_100000729493 [0,1,0,1,0,0|1,0,0]=3 20219 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [0,1,0,1,0,0|1,0,1]=4 20220 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [0,1,0,1,0,0|1,0,1]=4 20221 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [0,1,0,1,0,0|1,0,1]=4 20222 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,1,0,0|0,0,2]=4 20223 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,1,0,0|0,0,2]=4 20224 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,1,0,0|0,0,2]=4 20225 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,1,0,0|0,0,2]=4 20226 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,1,0,0|0,0,2]=4 20227 B11R1.86 CC(C)CC1COCCN1C 2230a_100000755734_200000210301 [0,1,0,1,0,0|2,0,0]=4 20228 B11R1.86 CC(C)CC1COCCN1C 269982a_100000755734_200000210301 [0,1,0,1,0,0|2,0,0]=4 20229 B11R1.86 CC(C)CC1COCCN1C 34a_100000755734_200000210301 [0,1,0,1,0,0|2,0,0]=4 20230 B11R1.86 CC(C)CC1COCCN1[13CH3] 2230a_100000755734_200025704644 [0,1,0,1,0,0|2,0,0]=4 20231 B11R1.86 CC(C)CC1COCCN1[13CH3] 269982a_100000755734_200025704644 [0,1,0,1,0,0|2,0,0]=4 20232 B11R1.86 CC(C)CC1COCCN1[13CH3] 34a_100000755734_200025704644 [0,1,0,1,0,0|2,0,0]=4 20233 B11R1.86 CC(C)CN1CCCCC1C 2230a_100000211376_100000210760 [0,1,0,1,0,0|1,0,0]=3 20234 B11R1.86 CC(C)CN1CCCCC1C 269982a_100000211376_100000210624 [0,1,0,1,0,0|1,0,0]=3 20235 B11R1.86 CC(C)CN1CCCCC1C 270004a_100000211376_100000210432 [0,1,0,1,0,0|1,0,0]=3 20236 B11R1.86 CC(C)CN1CCCCC1C 34a_100000211376_100000210624 [0,1,0,1,0,0|1,0,0]=3 20237 B11R1.86 CC(C)CN1CCOC[C@@H]1C 2230a_100009815349_100000210760 [0,1,0,1,0,0|2,0,0]=4 20238 B11R1.86 CC(C)CN1CCOC[C@@H]1C 269982a_100009815349_100000210624 [0,1,0,1,0,0|2,0,0]=4 20239 B11R1.86 CC(C)CN1CCOC[C@@H]1C 270004a_100009815349_100000210432 [0,1,0,1,0,0|2,0,0]=4 20240 B11R1.86 CC(C)CN1CCOC[C@@H]1C 34a_100009815349_100000210624 [0,1,0,1,0,0|2,0,0]=4 20241 B11R1.86 CC(C)NC1CCCCC1C 2230a_100000211402_100000210206 [0,1,0,1,0,0|1,0,0]=3 20242 B11R1.86 CC(C)NC1CCCCC1C 34a_100000211402_100000210206 [0,1,0,1,0,0|1,0,0]=3 20243 B11R1.86 CC(C)NC1CCCCC1F 34a_100138425928_100015423560 [0,1,0,1,0,0|2,0,0]=4 20244 B11R1.86 CC(C)NC1CCCCC1O 34a_100138425928_100000038908 [0,1,0,1,0,0|2,0,0]=4 20245 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210206 [0,1,0,1,0,0|2,0,0]=4 20246 B11R1.86 CC(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210206 [0,1,0,1,0,0|2,0,0]=4 20247 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [0,1,0,1,0,0|1,0,0]=3 20248 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [0,1,0,1,0,0|1,0,0]=3 20249 B11R1.86 CC(C)OC1CCCCC1Cl 34a_100000038908_100000210206 [0,1,0,1,0,0|2,0,0]=4 20250 B11R1.86 CC(C)OC1CCCCC1Cl 7a_100000038908_100000210206 [0,1,0,1,0,0|2,0,0]=4 20251 B11R1.86 CC(C)OC1CCCCC1F 34a_100000212225_100015423560 [0,1,0,1,0,0|2,0,0]=4 20252 B11R1.86 CC(C)OC1CCCCC1O 34a_100000212225_100000038908 [0,1,0,1,0,0|2,0,0]=4 20253 B11R1.86 CC(C)OC1CCNCC1C 34a_100011998114_100000210206 [0,1,0,1,0,0|2,0,0]=4 20254 B11R1.86 CC(C)OC1CNCCC1C 34a_100000696640_100000210206 [0,1,0,1,0,0|2,0,0]=4 20255 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210206 [0,1,0,1,0,0|2,0,0]=4 20256 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210206 [0,1,0,1,0,0|2,0,0]=4 20257 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000210206 [0,1,0,1,0,0|2,0,0]=4 20258 B11R1.86 CC(C)SC1CCCCC1F 62a_100000210206_100015423560 [0,1,0,1,0,0|2,0,0]=4 20259 B11R1.86 CC(C)SC1CCCCC1F 62a_100015423560_100000210206 [0,1,0,1,0,0|2,0,0]=4 20260 B11R1.86 CC(C)SC1CCCCC1O 62a_100000038908_100000210206 [0,1,0,1,0,0|2,0,0]=4 20261 B11R1.86 CC(C)SC1CCCCC1O 62a_100000210206_100000038908 [0,1,0,1,0,0|2,0,0]=4 20262 B11R1.86 CC(O)CN1CCCCC1C 2230a_100000211376_100011218427 [0,1,0,1,0,0|0,0,0]=2 20263 B11R1.86 CC(O)CN1CCCCC1C 269982a_100000211376_100011218427 [0,1,0,1,0,0|0,0,0]=2 20264 B11R1.86 CC(O)CN1CCCCC1C 34a_100000211376_100011218427 [0,1,0,1,0,0|0,0,0]=2 20265 B11R1.86 CC(O)CN1CCOC[C@@H]1C 2230a_100009815349_100011218427 [0,1,0,1,0,0|1,0,0]=3 20266 B11R1.86 CC(O)CN1CCOC[C@@H]1C 269982a_100009815349_100011218427 [0,1,0,1,0,0|1,0,0]=3 20267 B11R1.86 CC(O)CN1CCOC[C@@H]1C 34a_100009815349_100011218427 [0,1,0,1,0,0|1,0,0]=3 20268 B11R1.86 CC1CCCCN1CC(F)F 2230a_100000211376_100011934356 [0,1,0,1,0,0|2,0,0]=4 20269 B11R1.86 CC1CCCCN1CC(F)F 269982a_100000211376_100011934356 [0,1,0,1,0,0|2,0,0]=4 20270 B11R1.86 CC1CCCCN1CC(F)F 34a_100000211376_100011934356 [0,1,0,1,0,0|2,0,0]=4 20271 B11R1.86 CC1CCCCN1C[C@@H](C)O 2230a_100000211376_100009817552 [0,1,0,1,0,0|0,0,0]=2 20272 B11R1.86 CC1CCCCN1C[C@@H](C)O 269982a_100000211376_100009817552 [0,1,0,1,0,0|0,0,0]=2 20273 B11R1.86 CC1CCCCN1C[C@@H](C)O 34a_100000211376_100009817552 [0,1,0,1,0,0|0,0,0]=2 20274 B11R1.86 CN(C)CC1CCCCN1C 2230a_100000746231_200000210301 [0,1,0,1,0,0|2,0,0]=4 20275 B11R1.86 CN(C)CC1CCCCN1C 2230a_100015185953_200000210301 [0,1,0,1,0,0|2,0,0]=4 20276 B11R1.86 CN(C)CC1CCCCN1C 269982a_100000746231_200000210301 [0,1,0,1,0,0|2,0,0]=4 20277 B11R1.86 CN(C)CC1CCCCN1C 269982a_100015185953_200000210301 [0,1,0,1,0,0|2,0,0]=4 20278 B11R1.86 CN(C)CC1CCCCN1C 269982a_100102631434_100015185383 [0,1,0,1,0,0|2,0,0]=4 20279 B11R1.86 CN(C)CC1CCCCN1[13CH3] 2230a_100000746231_200025704644 [0,1,0,1,0,0|2,0,0]=4 20280 B11R1.86 CN(C)CC1CCCCN1[13CH3] 269982a_100000746231_200025704644 [0,1,0,1,0,0|2,0,0]=4 20281 B11R1.86 CN([13CH3])CC1CCCCN1C 2230a_100015185953_200025704644 [0,1,0,1,0,0|2,0,0]=4 20282 B11R1.86 CN([13CH3])CC1CCCCN1C 269982a_100015185953_200025704644 [0,1,0,1,0,0|2,0,0]=4 20283 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 2230a_100009815349_100009817552 [0,1,0,1,0,0|1,0,0]=3 20284 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 269982a_100009815349_100009817552 [0,1,0,1,0,0|1,0,0]=3 20285 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 34a_100009815349_100009817552 [0,1,0,1,0,0|1,0,0]=3 20286 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,1,0,1,0,0|1,0,1]=4 20287 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,1,0,1,0,0|1,0,1]=4 20288 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,1,0,1,0,0|1,0,1]=4 20289 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,1,0,1,0,0|1,0,1]=4 20290 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,1,0,1,0,0|1,0,1]=4 20291 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,1,0,1,0,0|1,0,1]=4 20292 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,1,0,1,0,0|1,0,1]=4 20293 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|0,0,2]=4 20294 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|0,0,2]=4 20295 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,1,0,1,0,0|0,0,2]=4 20296 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,1,0,1,0,0|0,0,2]=4 20297 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,1,0,1,0,0|0,0,2]=4 20298 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|0,0,2]=4 20299 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|0,0,2]=4 20300 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|0,0,2]=4 20301 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,1,0,1,0,0|0,0,2]=4 20302 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,1,0,1,0,0|0,0,2]=4 20303 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,1,0,1,0,0|0,0,2]=4 20304 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,1,0,1,0,0|0,0,2]=4 20305 B11R1.91 CC(Br)COC1CCCCC1 34a_100012180447_100000210327 [0,1,0,1,0,0|1,0,0]=3 20306 B11R1.91 CC(Br)COC1CCCOC1 34a_100012180447_100000693364 [0,1,0,1,0,0|2,0,0]=4 20307 B11R1.91 CC(Br)COC1CCSCC1 34a_100012180447_100000069128 [0,1,0,1,0,0|2,0,0]=4 20308 B11R1.91 CC(C)CCN1CCCOC1 2230a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 20309 B11R1.91 CC(C)CCN1CCCOC1 269982a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 20310 B11R1.91 CC(C)CCN1CCCOC1 34a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 20311 B11R1.91 CC(C)CCN1CCOCC1 2230a_100015191051_100000210312 [0,1,0,1,0,0|2,0,0]=4 20312 B11R1.91 CC(C)CCN1CCOCC1 269982a_100015191051_100000210312 [0,1,0,1,0,0|2,0,0]=4 20313 B11R1.91 CC(C)CCN1CCOCC1 34a_100015191051_100000210312 [0,1,0,1,0,0|2,0,0]=4 20314 B11R1.91 CC(C)CCN1CCSCC1 2230a_100000737611_100000210312 [0,1,0,1,0,0|2,0,0]=4 20315 B11R1.91 CC(C)CCN1CCSCC1 269982a_100000737611_100000210312 [0,1,0,1,0,0|2,0,0]=4 20316 B11R1.91 CC(C)CNC1CCCCC1 2230a_100000182618_100000210760 [0,1,0,1,0,0|1,0,0]=3 20317 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000182618_100000210432 [0,1,0,1,0,0|1,0,0]=3 20318 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000210953_100000210434 [0,1,0,1,0,0|1,0,0]=3 20319 B11R1.91 CC(C)CNC1CCCCC1 34a_100000182618_100000210624 [0,1,0,1,0,0|1,0,0]=3 20320 B11R1.91 CC(C)CNC1CCCCC1 34a_100000210953_100000210327 [0,1,0,1,0,0|1,0,0]=3 20321 B11R1.91 CC(C)CNC1CCCOC1 2230a_100000719290_100000210760 [0,1,0,1,0,0|2,0,0]=4 20322 B11R1.91 CC(C)CNC1CCCOC1 270004a_100000210953_100000753404 [0,1,0,1,0,0|2,0,0]=4 20323 B11R1.91 CC(C)CNC1CCCOC1 270004a_100000719290_100000210432 [0,1,0,1,0,0|2,0,0]=4 20324 B11R1.91 CC(C)CNC1CCCOC1 34a_100000210953_100000693364 [0,1,0,1,0,0|2,0,0]=4 20325 B11R1.91 CC(C)CNC1CCCOC1 34a_100000719290_100000210624 [0,1,0,1,0,0|2,0,0]=4 20326 B11R1.91 CC(C)CNC1CCCSC1 270004a_100000210953_100000057913 [0,1,0,1,0,0|2,0,0]=4 20327 B11R1.91 CC(C)CNC1CCNCC1 270004a_100000210953_100015192401 [0,1,0,1,0,0|2,0,0]=4 20328 B11R1.91 CC(C)CNC1CCOCC1 2230a_100000741149_100000210760 [0,1,0,1,0,0|2,0,0]=4 20329 B11R1.91 CC(C)CNC1CCOCC1 270004a_100000210953_100011217826 [0,1,0,1,0,0|2,0,0]=4 20330 B11R1.91 CC(C)CNC1CCOCC1 270004a_100000741149_100000210432 [0,1,0,1,0,0|2,0,0]=4 20331 B11R1.91 CC(C)CNC1CCOCC1 34a_100000741149_100000210624 [0,1,0,1,0,0|2,0,0]=4 20332 B11R1.91 CC(C)CNC1CCSCC1 2230a_100000748639_100000210760 [0,1,0,1,0,0|2,0,0]=4 20333 B11R1.91 CC(C)CNC1CCSCC1 270004a_100000210953_100000203788 [0,1,0,1,0,0|2,0,0]=4 20334 B11R1.91 CC(C)CNC1CCSCC1 270004a_100000748639_100000210432 [0,1,0,1,0,0|2,0,0]=4 20335 B11R1.91 CC(C)CNC1CCSCC1 34a_100000210953_100000069128 [0,1,0,1,0,0|2,0,0]=4 20336 B11R1.91 CC(C)CNC1CCSCC1 34a_100000748639_100000210624 [0,1,0,1,0,0|2,0,0]=4 20337 B11R1.91 CC(C)COC1CCCCC1 34a_100000210231_100000210624 [0,1,0,1,0,0|1,0,0]=3 20338 B11R1.91 CC(C)COC1CCCCC1 34a_100000210257_100000210327 [0,1,0,1,0,0|1,0,0]=3 20339 B11R1.91 CC(C)COC1CCCCC1 7a_100000210231_100000210760 [0,1,0,1,0,0|1,0,0]=3 20340 B11R1.91 CC(C)COC1CCCCO1 34a_100000033831_100000210624 [0,1,0,1,0,0|2,0,0]=4 20341 B11R1.91 CC(C)COC1CCCOC1 34a_100000210257_100000693364 [0,1,0,1,0,0|2,0,0]=4 20342 B11R1.91 CC(C)COC1CCCOC1 34a_100000754041_100000210624 [0,1,0,1,0,0|2,0,0]=4 20343 B11R1.91 CC(C)COC1CCCSC1 7a_100015962668_100000210760 [0,1,0,1,0,0|2,0,0]=4 20344 B11R1.91 CC(C)COC1CCOCC1 34a_100000744328_100000210624 [0,1,0,1,0,0|2,0,0]=4 20345 B11R1.91 CC(C)COC1CCSCC1 34a_100000210257_100000069128 [0,1,0,1,0,0|2,0,0]=4 20346 B11R1.91 CC(C)COC1CCSCC1 34a_100000731022_100000210624 [0,1,0,1,0,0|2,0,0]=4 20347 B11R1.91 CC(C)COC1CCSCC1 7a_100000731022_100000210760 [0,1,0,1,0,0|2,0,0]=4 20348 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210327_100000210760 [0,1,0,1,0,0|1,0,0]=3 20349 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210624_100000210327 [0,1,0,1,0,0|1,0,0]=3 20350 B11R1.91 CC(C)CSC1CCCOC1 62a_100000210624_100000693364 [0,1,0,1,0,0|2,0,0]=4 20351 B11R1.91 CC(C)CSC1CCOCC1 62a_100000210624_100011324220 [0,1,0,1,0,0|2,0,0]=4 20352 B11R1.91 CC(C)CSC1CCSCC1 62a_100000210624_100000069128 [0,1,0,1,0,0|2,0,0]=4 20353 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,1,0,1,0,0|1,0,0]=3 20354 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,1,0,1,0,0|1,0,0]=3 20355 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,1,0,1,0,0|1,0,0]=3 20356 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,1,0,1,0,0|1,0,0]=3 20357 B11R1.91 CC(C)NCC1CCCCO1 2230a_100000174945_100000210206 [0,1,0,1,0,0|2,0,0]=4 20358 B11R1.91 CC(C)NCC1CCCCO1 2230a_100138425928_100000211543 [0,1,0,1,0,0|2,0,0]=4 20359 B11R1.91 CC(C)NCC1CCCCO1 34a_100000174945_100000210206 [0,1,0,1,0,0|2,0,0]=4 20360 B11R1.91 CC(C)NCC1CCCCO1 34a_100138425928_100000211543 [0,1,0,1,0,0|2,0,0]=4 20361 B11R1.91 CC(C)NCC1CCCOC1 2230a_100000720124_100000210206 [0,1,0,1,0,0|2,0,0]=4 20362 B11R1.91 CC(C)NCC1CCCOC1 2230a_100138425928_100000741521 [0,1,0,1,0,0|2,0,0]=4 20363 B11R1.91 CC(C)NCC1CCCOC1 34a_100000720124_100000210206 [0,1,0,1,0,0|2,0,0]=4 20364 B11R1.91 CC(C)NCC1CCCOC1 34a_100138425928_100000741521 [0,1,0,1,0,0|2,0,0]=4 20365 B11R1.91 CC(C)NCC1CCOCC1 2230a_100000746373_100000210206 [0,1,0,1,0,0|2,0,0]=4 20366 B11R1.91 CC(C)NCC1CCOCC1 2230a_100138425928_100000754603 [0,1,0,1,0,0|2,0,0]=4 20367 B11R1.91 CC(C)NCC1CCOCC1 34a_100000746373_100000210206 [0,1,0,1,0,0|2,0,0]=4 20368 B11R1.91 CC(C)NCC1CCOCC1 34a_100138425928_100000754603 [0,1,0,1,0,0|2,0,0]=4 20369 B11R1.91 CC(C)NCC1CCSCC1 2230a_100015188806_100000210206 [0,1,0,1,0,0|2,0,0]=4 20370 B11R1.91 CC(C)NCC1CCSCC1 34a_100015188806_100000210206 [0,1,0,1,0,0|2,0,0]=4 20371 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,1,0,1,0,0|1,0,0]=3 20372 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,1,0,1,0,0|1,0,0]=3 20373 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,1,0,1,0,0|1,0,0]=3 20374 B11R1.91 CC(C)OCC1CCCCN1 34a_100000210821_100000210206 [0,1,0,1,0,0|2,0,0]=4 20375 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [0,1,0,1,0,0|2,0,0]=4 20376 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [0,1,0,1,0,0|2,0,0]=4 20377 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [0,1,0,1,0,0|2,0,0]=4 20378 B11R1.91 CC(C)OCC1CCCNC1 34a_100000211344_100000210206 [0,1,0,1,0,0|2,0,0]=4 20379 B11R1.91 CC(C)OCC1CCCOC1 34a_100000212225_100000741521 [0,1,0,1,0,0|2,0,0]=4 20380 B11R1.91 CC(C)OCC1CCCOC1 34a_100000741520_100000210206 [0,1,0,1,0,0|2,0,0]=4 20381 B11R1.91 CC(C)OCC1CCNCC1 34a_100000738675_100000210206 [0,1,0,1,0,0|2,0,0]=4 20382 B11R1.91 CC(C)OCC1CCOCC1 34a_100000212225_100000754603 [0,1,0,1,0,0|2,0,0]=4 20383 B11R1.91 CC(C)OCC1CCOCC1 34a_100000749013_100000210206 [0,1,0,1,0,0|2,0,0]=4 20384 B11R1.91 CC(C)OCC1CCSCC1 34a_100000070558_100000210206 [0,1,0,1,0,0|2,0,0]=4 20385 B11R1.91 CC(C)OCC1CCSCC1 7a_100000070558_100000210206 [0,1,0,1,0,0|2,0,0]=4 20386 B11R1.91 CC(C)SCC1CCCCC1 62a_100000210206_100000211423 [0,1,0,1,0,0|1,0,0]=3 20387 B11R1.91 CC(C)SCC1CCCCC1 62a_100000211423_100000210206 [0,1,0,1,0,0|1,0,0]=3 20388 B11R1.91 CC(C)SCC1CCCCO1 62a_100000210206_100000211543 [0,1,0,1,0,0|2,0,0]=4 20389 B11R1.91 CC(C)SCC1CCCCO1 62a_100000211543_100000210206 [0,1,0,1,0,0|2,0,0]=4 20390 B11R1.91 CC(C)SCC1CCCOC1 62a_100000210206_100000741521 [0,1,0,1,0,0|2,0,0]=4 20391 B11R1.91 CC(C)SCC1CCCOC1 62a_100000741521_100000210206 [0,1,0,1,0,0|2,0,0]=4 20392 B11R1.91 CC(C)SCC1CCOCC1 62a_100000210206_100000749018 [0,1,0,1,0,0|2,0,0]=4 20393 B11R1.91 CC(C)SCC1CCOCC1 62a_100000754603_100000210206 [0,1,0,1,0,0|2,0,0]=4 20394 B11R1.91 CC(F)COC1CCCCC1 34a_100015925927_100000210327 [0,1,0,1,0,0|1,0,0]=3 20395 B11R1.91 CC(F)COC1CCCOC1 34a_100015925927_100000693364 [0,1,0,1,0,0|2,0,0]=4 20396 B11R1.91 CC(F)COC1CCSCC1 34a_100015925927_100000069128 [0,1,0,1,0,0|2,0,0]=4 20397 B11R1.91 CC(O)CCN1CC=CCC1 2230a_100000698166_100012276601 [0,1,0,1,0,0|0,0,2]=4 20398 B11R1.91 CC(O)CCN1CC=CCC1 269982a_100000698166_100012276601 [0,1,0,1,0,0|0,0,2]=4 20399 B11R1.91 CC(O)CCN1CC=CCC1 34a_100000698166_100012276601 [0,1,0,1,0,0|0,0,2]=4 20400 B11R1.91 CC(O)CCN1CCCOC1 2230a_100000131196_100012276601 [0,1,0,1,0,0|1,0,0]=3 20401 B11R1.91 CC(O)CCN1CCCOC1 269982a_100000131196_100012276601 [0,1,0,1,0,0|1,0,0]=3 20402 B11R1.91 CC(O)CCN1CCCOC1 34a_100000131196_100012276601 [0,1,0,1,0,0|1,0,0]=3 20403 B11R1.91 CC(O)CCN1CCOCC1 2230a_100015191051_100012276601 [0,1,0,1,0,0|1,0,0]=3 20404 B11R1.91 CC(O)CCN1CCOCC1 269982a_100015191051_100012276601 [0,1,0,1,0,0|1,0,0]=3 20405 B11R1.91 CC(O)CCN1CCOCC1 34a_100015191051_100012276601 [0,1,0,1,0,0|1,0,0]=3 20406 B11R1.91 CC(O)CCN1CCSCC1 2230a_100000737611_100012276601 [0,1,0,1,0,0|1,0,0]=3 20407 B11R1.91 CC(O)CCN1CCSCC1 269982a_100000737611_100012276601 [0,1,0,1,0,0|1,0,0]=3 20408 B11R1.91 CC(O)CNC1C=CCCC1 2230a_100000210904_100000751183 [0,1,0,1,0,0|0,0,2]=4 20409 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,1,0,1,0,0|0,0,0]=2 20410 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,1,0,1,0,0|0,0,0]=2 20411 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,1,0,1,0,0|0,0,0]=2 20412 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|0,0,0]=2 20413 B11R1.91 CC(O)CNC1CCCOC1 2230a_100000719290_100011218427 [0,1,0,1,0,0|1,0,0]=3 20414 B11R1.91 CC(O)CNC1CCCOC1 270004a_100000210904_100000753404 [0,1,0,1,0,0|1,0,0]=3 20415 B11R1.91 CC(O)CNC1CCCOC1 34a_100000210904_100000693364 [0,1,0,1,0,0|1,0,0]=3 20416 B11R1.91 CC(O)CNC1CCCOC1 34a_100000719290_100011218427 [0,1,0,1,0,0|1,0,0]=3 20417 B11R1.91 CC(O)CNC1CCCSC1 270004a_100000210904_100000057913 [0,1,0,1,0,0|1,0,0]=3 20418 B11R1.91 CC(O)CNC1CCNCC1 270004a_100000210904_100015192401 [0,1,0,1,0,0|1,0,0]=3 20419 B11R1.91 CC(O)CNC1CCOCC1 2230a_100000741149_100011218427 [0,1,0,1,0,0|1,0,0]=3 20420 B11R1.91 CC(O)CNC1CCOCC1 270004a_100000210904_100011217826 [0,1,0,1,0,0|1,0,0]=3 20421 B11R1.91 CC(O)CNC1CCOCC1 34a_100000741149_100011218427 [0,1,0,1,0,0|1,0,0]=3 20422 B11R1.91 CC(O)CNC1CCSCC1 2230a_100000748639_100011218427 [0,1,0,1,0,0|1,0,0]=3 20423 B11R1.91 CC(O)CNC1CCSCC1 270004a_100000210904_100000203788 [0,1,0,1,0,0|1,0,0]=3 20424 B11R1.91 CC(O)CNC1CCSCC1 34a_100000210904_100000069128 [0,1,0,1,0,0|1,0,0]=3 20425 B11R1.91 CC(O)CNC1CCSCC1 34a_100000748639_100011218427 [0,1,0,1,0,0|1,0,0]=3 20426 B11R1.91 CC(O)COC1C=CCCC1 34a_100011215024_100011218427 [0,1,0,1,0,0|0,0,2]=4 20427 B11R1.91 CC(O)COC1CC=CCC1 34a_100000073881_100011218427 [0,1,0,1,0,0|0,0,2]=4 20428 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,1,0,1,0,0|0,0,0]=2 20429 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,1,0,1,0,0|0,0,0]=2 20430 B11R1.91 CC(O)COC1CCCCO1 34a_100000033831_100011218427 [0,1,0,1,0,0|1,0,0]=3 20431 B11R1.91 CC(O)COC1CCCOC1 34a_100000754041_100011218427 [0,1,0,1,0,0|1,0,0]=3 20432 B11R1.91 CC(O)COC1CCCSC1 7a_100015962668_100011218427 [0,1,0,1,0,0|1,0,0]=3 20433 B11R1.91 CC(O)COC1CCOCC1 34a_100000744328_100011218427 [0,1,0,1,0,0|1,0,0]=3 20434 B11R1.91 CC(O)COC1CCSCC1 34a_100000731022_100011218427 [0,1,0,1,0,0|1,0,0]=3 20435 B11R1.91 CC(O)COC1CCSCC1 7a_100000731022_100011218427 [0,1,0,1,0,0|1,0,0]=3 20436 B11R1.91 CC(O)CSC1C=CCCC1 62a_100000751183_100011218427 [0,1,0,1,0,0|0,0,2]=4 20437 B11R1.91 CC(O)CSC1C=CCCC1 62a_100011218427_100000751183 [0,1,0,1,0,0|0,0,2]=4 20438 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,1,0,1,0,0|0,0,0]=2 20439 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,1,0,1,0,0|0,0,0]=2 20440 B11R1.91 CC(O)CSC1CCCOC1 62a_100011218427_100000693364 [0,1,0,1,0,0|1,0,0]=3 20441 B11R1.91 CC(O)CSC1CCOCC1 62a_100011218427_100011324220 [0,1,0,1,0,0|1,0,0]=3 20442 B11R1.91 CC(O)CSC1CCSCC1 62a_100011218427_100000069128 [0,1,0,1,0,0|1,0,0]=3 20443 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,1,0,1,0,0|2,0,0]=4 20444 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,1,0,1,0,0|2,0,0]=4 20445 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,1,0,1,0,0|2,0,0]=4 20446 B11R1.91 CN(C)CCC1CCCCO1 2230a_100015183322_200000210301 [0,1,0,1,0,0|2,0,0]=4 20447 B11R1.91 CN(C)CCC1CCCCO1 269982a_100015183322_200000210301 [0,1,0,1,0,0|2,0,0]=4 20448 B11R1.91 CN(C)CCC1CCCCO1 34a_100015183322_200000210301 [0,1,0,1,0,0|2,0,0]=4 20449 B11R1.91 CN(C)CCC1CCOCC1 2230a_100102631434_100011934994 [0,1,0,1,0,0|2,0,0]=4 20450 B11R1.91 CN(C)CCC1CCOCC1 269982a_100102631434_100011934994 [0,1,0,1,0,0|2,0,0]=4 20451 B11R1.91 CN(C)CCN1CCCCC1 2230a_100102631434_100000739454 [0,1,0,1,0,0|2,0,0]=4 20452 B11R1.91 CN(C)CCN1CCCCC1 269982a_100102631434_100000739454 [0,1,0,1,0,0|2,0,0]=4 20453 B11R1.91 CN(C)COC1CCCCC1 2230a_100102631434_100011935260 [0,1,0,1,0,0|2,0,0]=4 20454 B11R1.91 CN(C)COC1CCCCC1 269982a_100102631434_100011935260 [0,1,0,1,0,0|2,0,0]=4 20455 B11R1.91 CN([13CH3])CCC1CCCCO1 2230a_100015183322_200025704644 [0,1,0,1,0,0|2,0,0]=4 20456 B11R1.91 CN([13CH3])CCC1CCCCO1 269982a_100015183322_200025704644 [0,1,0,1,0,0|2,0,0]=4 20457 B11R1.91 CN([13CH3])CCC1CCCCO1 34a_100015183322_200025704644 [0,1,0,1,0,0|2,0,0]=4 20458 B11R1.91 C[C@@H](Cl)COC1CCCCC1 34a_100016084084_100000210327 [0,1,0,1,0,0|1,0,0]=3 20459 B11R1.91 C[C@@H](Cl)COC1CCCOC1 34a_100016084084_100000693364 [0,1,0,1,0,0|2,0,0]=4 20460 B11R1.91 C[C@@H](Cl)COC1CCSCC1 34a_100016084084_100000069128 [0,1,0,1,0,0|2,0,0]=4 20461 B11R1.91 C[C@@H](N)COC1CCCCC1 34a_100000737577_100000210327 [0,1,0,1,0,0|1,0,0]=3 20462 B11R1.91 C[C@@H](N)COC1CCCOC1 34a_100000737577_100000693364 [0,1,0,1,0,0|2,0,0]=4 20463 B11R1.91 C[C@@H](N)COC1CCSCC1 34a_100000737577_100000069128 [0,1,0,1,0,0|2,0,0]=4 20464 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,1,0,1,0,0|0,0,0]=2 20465 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,1,0,1,0,0|0,0,0]=2 20466 B11R1.91 C[C@@H](O)CNC1CCCOC1 2230a_100000719290_100009817552 [0,1,0,1,0,0|1,0,0]=3 20467 B11R1.91 C[C@@H](O)CNC1CCCOC1 34a_100000719290_100009817552 [0,1,0,1,0,0|1,0,0]=3 20468 B11R1.91 C[C@@H](O)CNC1CCOCC1 2230a_100000741149_100009817552 [0,1,0,1,0,0|1,0,0]=3 20469 B11R1.91 C[C@@H](O)CNC1CCOCC1 34a_100000741149_100009817552 [0,1,0,1,0,0|1,0,0]=3 20470 B11R1.91 C[C@@H](O)CNC1CCSCC1 2230a_100000748639_100009817552 [0,1,0,1,0,0|1,0,0]=3 20471 B11R1.91 C[C@@H](O)CNC1CCSCC1 34a_100000748639_100009817552 [0,1,0,1,0,0|1,0,0]=3 20472 B11R1.91 C[C@@H](O)COC1C=CCCC1 34a_100011215024_100009817552 [0,1,0,1,0,0|0,0,2]=4 20473 B11R1.91 C[C@@H](O)COC1CC=CCC1 34a_100000073881_100009817552 [0,1,0,1,0,0|0,0,2]=4 20474 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,1,0,1,0,0|0,0,0]=2 20475 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,1,0,1,0,0|0,0,0]=2 20476 B11R1.91 C[C@@H](O)COC1CCCCO1 34a_100000033831_100009817552 [0,1,0,1,0,0|1,0,0]=3 20477 B11R1.91 C[C@@H](O)COC1CCCOC1 34a_100000754041_100009817552 [0,1,0,1,0,0|1,0,0]=3 20478 B11R1.91 C[C@@H](O)COC1CCCSC1 7a_100015962668_100009817552 [0,1,0,1,0,0|1,0,0]=3 20479 B11R1.91 C[C@@H](O)COC1CCOCC1 34a_100000744328_100009817552 [0,1,0,1,0,0|1,0,0]=3 20480 B11R1.91 C[C@@H](O)COC1CCSCC1 34a_100000731022_100009817552 [0,1,0,1,0,0|1,0,0]=3 20481 B11R1.91 C[C@@H](O)COC1CCSCC1 7a_100000731022_100009817552 [0,1,0,1,0,0|1,0,0]=3 20482 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100000751183_100009817552 [0,1,0,1,0,0|0,0,2]=4 20483 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100009817552_100000751183 [0,1,0,1,0,0|0,0,2]=4 20484 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,1,0,1,0,0|0,0,0]=2 20485 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,1,0,1,0,0|0,0,0]=2 20486 B11R1.91 C[C@@H](O)CSC1CCCOC1 62a_100009817552_100000693364 [0,1,0,1,0,0|1,0,0]=3 20487 B11R1.91 C[C@@H](O)CSC1CCOCC1 62a_100009817552_100011324220 [0,1,0,1,0,0|1,0,0]=3 20488 B11R1.91 C[C@@H](O)CSC1CCSCC1 62a_100009817552_100000069128 [0,1,0,1,0,0|1,0,0]=3 20489 B11R1.91 FC(F)CNC1CCCCC1 2230a_100000182618_100011934356 [0,1,0,1,0,0|2,0,0]=4 20490 B11R1.91 FC(F)CNC1CCCCC1 270004a_100000765723_100000210434 [0,1,0,1,0,0|2,0,0]=4 20491 B11R1.91 FC(F)CNC1CCCCC1 34a_100000182618_100011934356 [0,1,0,1,0,0|2,0,0]=4 20492 B11R1.91 FC(F)CNC1CCCCC1 34a_100000765723_100000210327 [0,1,0,1,0,0|2,0,0]=4 20493 B11R1.91 FC(F)COC1CCCCC1 34a_100000210231_100011934356 [0,1,0,1,0,0|2,0,0]=4 20494 B11R1.91 FC(F)COC1CCCCC1 34a_100000743014_100000210327 [0,1,0,1,0,0|2,0,0]=4 20495 B11R1.91 FC(F)COC1CCCCC1 7a_100000210231_100011934356 [0,1,0,1,0,0|2,0,0]=4 20496 B11R1.91 FC(F)CSC1CCCCC1 62a_100000210327_100011934356 [0,1,0,1,0,0|2,0,0]=4 20497 B11R1.91 FC(F)CSC1CCCCC1 62a_100011934356_100000210327 [0,1,0,1,0,0|2,0,0]=4 20498 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,1,0,1,0,0|1,0,1]=4 20499 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|0,0,2]=4 20500 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,1,0,1,0,0|0,0,2]=4 20501 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|0,0,2]=4 20502 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,1,0,1,0,0|2,0,0]=4 20503 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [0,1,0,1,0,0|2,0,0]=4 20504 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [0,1,0,1,0,0|2,0,0]=4 20505 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [0,1,0,1,0,0|1,0,0]=3 20506 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [0,1,0,1,0,0|1,0,0]=3 20507 B11R1.99 BrCCCCCOCC1CS1 7a_100000746331_100000031435 [0,1,0,1,0,0|1,1,0]=4 20508 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [0,1,0,1,0,0|1,0,0]=3 20509 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [0,1,0,1,0,0|2,0,0]=4 20510 B11R1.99 BrCCCCOCCC1CO1 34a_100011216708_100000732470 [0,1,0,1,0,0|1,0,0]=3 20511 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [0,1,0,1,0,0|1,0,0]=3 20512 B11R1.99 BrCCOCCOCC1CO1 34a_100000692535_102125554688 [0,1,0,1,0,0|2,0,0]=4 20513 B11R1.99 BrCCOCCOCC1CO1 7a_100000692535_102125554688 [0,1,0,1,0,0|2,0,0]=4 20514 B11R1.99 BrCCOCCOC[C@@H]1CO1 7a_100000692535_100000745022 [0,1,0,1,0,0|2,0,0]=4 20515 B11R1.99 C#CCCCCNCC1CO1 2230a_100000706060_100011216344 [0,1,0,1,0,0|0,0,2]=4 20516 B11R1.99 C#CCCCCNCC1CO1 34a_100000706060_102125554688 [0,1,0,1,0,0|0,0,2]=4 20517 B11R1.99 C#CCCCCOCC1CO1 34a_100000766709_102125554688 [0,1,0,1,0,0|0,0,2]=4 20518 B11R1.99 C#CCCCCOCC1CO1 7a_100000766709_102125554688 [0,1,0,1,0,0|0,0,2]=4 20519 B11R1.99 C#CCCCCOC[C@@H]1CO1 34a_100000757423_100010269958 [0,1,0,1,0,0|0,0,2]=4 20520 B11R1.99 C#CCCCCOC[C@@H]1CO1 7a_100000766709_100000745022 [0,1,0,1,0,0|0,0,2]=4 20521 B11R1.99 C#CCCCCSCC1CO1 62a_100010269958_102125554688 [0,1,0,1,0,0|0,0,2]=4 20522 B11R1.99 C#CCCCCSCC1CO1 62a_102125554688_100010269958 [0,1,0,1,0,0|0,0,2]=4 20523 B11R1.99 C#CCCCCSC[C@@H]1CO1 62a_100000745022_100010269958 [0,1,0,1,0,0|0,0,2]=4 20524 B11R1.99 C#CCCCCSC[C@@H]1CO1 62a_100010269958_100000745022 [0,1,0,1,0,0|0,0,2]=4 20525 B11R1.99 C#CCCCNCCC1CO1 34a_100000718082_100000732470 [0,1,0,1,0,0|0,0,2]=4 20526 B11R1.99 C#CCCCOCCC1CO1 34a_100000215630_100000732470 [0,1,0,1,0,0|0,0,2]=4 20527 B11R1.99 C#CCCCOCCC1CO1 7a_100000215630_100000732470 [0,1,0,1,0,0|0,0,2]=4 20528 B11R1.99 C#CCCCOCC[C@@H]1CO1 34a_100009820653_100000695029 [0,1,0,1,0,0|0,0,2]=4 20529 B11R1.99 C#CCCCSCCC1CO1 62a_100000732470_100011215417 [0,1,0,1,0,0|0,0,2]=4 20530 B11R1.99 C#CCCCSCCC1CO1 62a_100011215417_100000732470 [0,1,0,1,0,0|0,0,2]=4 20531 B11R1.99 C#CCCNCCCC1CO1 34a_100000755551_100000733510 [0,1,0,1,0,0|0,0,2]=4 20532 B11R1.99 C#CCCOCCCC1CO1 34a_100011215631_100000733510 [0,1,0,1,0,0|0,0,2]=4 20533 B11R1.99 C#CCCSCCCC1CO1 62a_100000688953_100000733510 [0,1,0,1,0,0|0,0,2]=4 20534 B11R1.99 C#CCCSCCCC1CO1 62a_100000733510_100000688953 [0,1,0,1,0,0|0,0,2]=4 20535 B11R1.99 C/C=C/CCOCCC1CO1 34a_100016278192_100000732470 [0,1,0,1,0,0|0,0,2]=4 20536 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [0,1,0,1,0,0|0,0,2]=4 20537 B11R1.99 C/C=C/CSCCCC1CO1 62a_100000733510_100102629194 [0,1,0,1,0,0|0,0,2]=4 20538 B11R1.99 C/C=C/CSCCCC1CO1 62a_100102629194_100000733510 [0,1,0,1,0,0|0,0,2]=4 20539 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [0,1,0,1,0,0|0,0,2]=4 20540 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [0,1,0,1,0,0|0,0,2]=4 20541 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,1,0,1,0,0|0,0,2]=4 20542 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,1,0,1,0,0|0,0,2]=4 20543 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,1,0,1,0,0|0,0,2]=4 20544 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,1,0,1,0,0|0,0,2]=4 20545 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [0,1,0,1,0,0|0,0,2]=4 20546 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [0,1,0,1,0,0|0,0,2]=4 20547 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [0,1,0,1,0,0|0,0,2]=4 20548 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [0,1,0,1,0,0|0,0,2]=4 20549 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [0,1,0,1,0,0|0,0,2]=4 20550 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [0,1,0,1,0,0|0,0,2]=4 20551 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 20552 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 20553 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,1,0,1,0,0|0,0,2]=4 20554 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [0,1,0,1,0,0|0,0,2]=4 20555 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [0,1,0,1,0,0|0,0,2]=4 20556 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [0,1,0,1,0,0|0,0,2]=4 20557 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,1,0,1,0,0|0,0,2]=4 20558 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [0,1,0,1,0,0|0,0,2]=4 20559 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [0,1,0,1,0,0|0,0,2]=4 20560 B11R1.99 CC#CCCOCCC1CO1 34a_100000750427_100000732470 [0,1,0,1,0,0|0,0,2]=4 20561 B11R1.99 CC#CCNCCCC1CO1 2230a_100000685387_100000733510 [0,1,0,1,0,0|0,0,2]=4 20562 B11R1.99 CC#CCNCCCC1CO1 34a_100000685387_100000733510 [0,1,0,1,0,0|0,0,2]=4 20563 B11R1.99 CC#CCOCCCC1CO1 34a_100000761923_100000733510 [0,1,0,1,0,0|0,0,2]=4 20564 B11R1.99 CC#CCSCCCC1CO1 62a_100000733510_100000748600 [0,1,0,1,0,0|0,0,2]=4 20565 B11R1.99 CC#CCSCCCC1CO1 62a_100000748600_100000733510 [0,1,0,1,0,0|0,0,2]=4 20566 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 20567 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 20568 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,1,0,1,0,0|0,0,2]=4 20569 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,1,0,1,0,0|0,0,2]=4 20570 B11R1.99 CC/C=C\CCSCC1CO1 62a_100015370543_102125554688 [0,1,0,1,0,0|0,0,2]=4 20571 B11R1.99 CC/C=C\CCSCC1CO1 62a_102125554688_100015370543 [0,1,0,1,0,0|0,0,2]=4 20572 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100000745022_100015370543 [0,1,0,1,0,0|0,0,2]=4 20573 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100015370543_100000745022 [0,1,0,1,0,0|0,0,2]=4 20574 B11R1.99 CC/C=C\COCCC1CO1 34a_100016268518_100000732470 [0,1,0,1,0,0|0,0,2]=4 20575 B11R1.99 CC/C=C\COCC[C@@H]1CO1 34a_100009820653_100103147603 [0,1,0,1,0,0|0,0,2]=4 20576 B11R1.99 CC/C=C\CSCCC1CO1 62a_100000732470_100103147603 [0,1,0,1,0,0|0,0,2]=4 20577 B11R1.99 CC/C=C\CSCCC1CO1 62a_100103147603_100000732470 [0,1,0,1,0,0|0,0,2]=4 20578 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [0,1,0,1,0,0|0,0,2]=4 20579 B11R1.99 CC=CCSCCCC1CO1 62a_100000070051_100000733510 [0,1,0,1,0,0|0,0,2]=4 20580 B11R1.99 CC=CCSCCCC1CO1 62a_100000733510_100000070051 [0,1,0,1,0,0|0,0,2]=4 20581 B11R1.99 CCC#CCCOCC1CO1 34a_100000036655_102125554688 [0,1,0,1,0,0|0,0,2]=4 20582 B11R1.99 CCC#CCCOCC1CO1 7a_100000036655_102125554688 [0,1,0,1,0,0|0,0,2]=4 20583 B11R1.99 CCC#CCCOC[C@@H]1CO1 7a_100000036655_100000745022 [0,1,0,1,0,0|0,0,2]=4 20584 B11R1.99 CCC#CCOCCC1CO1 34a_100000032950_100000732470 [0,1,0,1,0,0|0,0,2]=4 20585 B11R1.99 CCC#CCOCC[C@@H]1CO1 34a_100009820653_100009813939 [0,1,0,1,0,0|0,0,2]=4 20586 B11R1.99 CCC#CCSCCC1CO1 62a_100000732470_100009813939 [0,1,0,1,0,0|0,0,2]=4 20587 B11R1.99 CCC#CCSCCC1CO1 62a_100009813939_100000732470 [0,1,0,1,0,0|0,0,2]=4 20588 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,1,0,1,0,0|0,0,2]=4 20589 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,1,0,1,0,0|0,0,2]=4 20590 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,1,0,1,0,0|0,0,2]=4 20591 B11R1.99 CCCC#CCOCC1CO1 34a_100000034806_102125554688 [0,1,0,1,0,0|0,0,2]=4 20592 B11R1.99 CCCC#CCOCC1CO1 7a_100000034806_102125554688 [0,1,0,1,0,0|0,0,2]=4 20593 B11R1.99 CCCC#CCOC[C@@H]1CO1 7a_100000034806_100000745022 [0,1,0,1,0,0|0,0,2]=4 20594 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,1,0,1,0,0|1,0,0]=3 20595 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,1,0,1,0,0|1,0,0]=3 20596 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,1,0,1,0,0|1,0,0]=3 20597 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [0,1,0,1,0,0|1,0,0]=3 20598 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [0,1,0,1,0,0|1,0,0]=3 20599 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [0,1,0,1,0,0|1,0,0]=3 20600 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [0,1,0,1,0,0|1,0,0]=3 20601 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|0,0,0]=2 20602 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [0,1,0,1,0,0|1,0,0]=3 20603 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [0,1,0,1,0,0|1,0,0]=3 20604 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [0,1,0,1,0,0|1,0,0]=3 20605 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|0,0,0]=2 20606 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|0,0,0]=2 20607 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [0,1,0,1,0,0|0,1,0]=3 20608 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|0,0,0]=2 20609 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|0,0,0]=2 20610 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [0,1,0,1,0,0|1,0,0]=3 20611 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [0,1,0,1,0,0|1,0,0]=3 20612 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|0,0,0]=2 20613 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|0,0,0]=2 20614 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [0,1,0,1,0,0|0,1,0]=3 20615 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [0,1,0,1,0,0|0,1,0]=3 20616 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|0,0,0]=2 20617 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|0,0,0]=2 20618 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [0,1,0,1,0,0|1,0,0]=3 20619 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [0,1,0,1,0,0|1,0,0]=3 20620 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|0,0,0]=2 20621 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [0,1,0,1,0,0|1,0,0]=3 20622 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [0,1,0,1,0,0|1,0,0]=3 20623 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [0,1,0,1,0,0|1,0,0]=3 20624 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [0,1,0,1,0,0|1,0,0]=3 20625 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|0,0,0]=2 20626 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|0,0,0]=2 20627 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|0,0,0]=2 20628 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [0,1,0,1,0,0|1,0,0]=3 20629 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [0,1,0,1,0,0|1,0,0]=3 20630 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|0,0,0]=2 20631 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|0,0,0]=2 20632 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|0,0,0]=2 20633 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|0,0,0]=2 20634 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|0,0,0]=2 20635 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|0,0,0]=2 20636 B11R1.99 CCCCOCCNC1CC1 34a_100000212008_100000743108 [0,1,0,1,0,0|2,0,0]=4 20637 B11R1.99 CCCCOCCNC1CC1 34a_100000738766_100000210210 [0,1,0,1,0,0|2,0,0]=4 20638 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [0,1,0,1,0,0|2,0,0]=4 20639 B11R1.99 CCCCOCCSC1CC1 62a_100000743108_100000211595 [0,1,0,1,0,0|2,0,0]=4 20640 B11R1.99 CCCCOCNCC1CC1 2230a_100000735609_100011995733 [0,1,0,1,0,0|2,0,0]=4 20641 B11R1.99 CCCCOCNCC1CC1 34a_100000735609_100011995733 [0,1,0,1,0,0|2,0,0]=4 20642 B11R1.99 CCCCOCOCC1CC1 34a_100000211283_100011995733 [0,1,0,1,0,0|2,0,0]=4 20643 B11R1.99 CCCCOCOC[C@@H]1CO1 34a_100000757423_100011995733 [0,1,0,1,0,0|1,0,0]=3 20644 B11R1.99 CCCCOCSCC1CC1 62a_100000756562_100011995733 [0,1,0,1,0,0|2,0,0]=4 20645 B11R1.99 CCCCOCSCC1CC1 62a_100011995733_100000742324 [0,1,0,1,0,0|2,0,0]=4 20646 B11R1.99 CCCCOCSCC1CO1 62a_100011995733_102125554688 [0,1,0,1,0,0|1,0,0]=3 20647 B11R1.99 CCCCOCSCC1CO1 62a_102125554688_100011995733 [0,1,0,1,0,0|1,0,0]=3 20648 B11R1.99 CCCCOCSCC1CS1 62a_100000031435_100011995733 [0,1,0,1,0,0|1,1,0]=4 20649 B11R1.99 CCCCOCSCC1CS1 62a_100011995733_100000031435 [0,1,0,1,0,0|1,1,0]=4 20650 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100000745022_100011995733 [0,1,0,1,0,0|1,0,0]=3 20651 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100011995733_100000745022 [0,1,0,1,0,0|1,0,0]=3 20652 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|0,0,0]=2 20653 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|0,0,0]=2 20654 B11R1.99 CCCCSCCOC1CC1 34a_200000230436_100000211595 [0,1,0,1,0,0|2,0,0]=4 20655 B11R1.99 CCCOCCCNC1CC1 34a_100011217757_100000211595 [0,1,0,1,0,0|2,0,0]=4 20656 B11R1.99 CCCOCCNCC1CC1 2230a_100000735609_100011215938 [0,1,0,1,0,0|2,0,0]=4 20657 B11R1.99 CCCOCCNCC1CC1 2230a_100161115042_100000742324 [0,1,0,1,0,0|2,0,0]=4 20658 B11R1.99 CCCOCCNCC1CC1 269862a_100161115042_100000741477 [0,1,0,1,0,0|2,0,0]=4 20659 B11R1.99 CCCOCCNCC1CC1 34a_100000735609_100011215938 [0,1,0,1,0,0|2,0,0]=4 20660 B11R1.99 CCCOCCNCC1CC1 34a_100161115042_100000742324 [0,1,0,1,0,0|2,0,0]=4 20661 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [0,1,0,1,0,0|1,0,0]=3 20662 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [0,1,0,1,0,0|1,0,0]=3 20663 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [0,1,0,1,0,0|2,0,0]=4 20664 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [0,1,0,1,0,0|2,0,0]=4 20665 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [0,1,0,1,0,0|2,0,0]=4 20666 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 20667 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 20668 B11R1.99 CCCOCCOCC1CS1 7a_100000752267_100000031435 [0,1,0,1,0,0|1,1,0]=4 20669 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [0,1,0,1,0,0|1,0,0]=3 20670 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [0,1,0,1,0,0|1,0,0]=3 20671 B11R1.99 CCCOCCSCC1CC1 62a_100000756562_100011215938 [0,1,0,1,0,0|2,0,0]=4 20672 B11R1.99 CCCOCCSCC1CC1 62a_100011215938_100000742324 [0,1,0,1,0,0|2,0,0]=4 20673 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [0,1,0,1,0,0|1,0,0]=3 20674 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [0,1,0,1,0,0|1,0,0]=3 20675 B11R1.99 CCCOCCSCC1CS1 62a_100000031435_100011215938 [0,1,0,1,0,0|1,1,0]=4 20676 B11R1.99 CCCOCCSCC1CS1 62a_100011215938_100000031435 [0,1,0,1,0,0|1,1,0]=4 20677 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [0,1,0,1,0,0|1,0,0]=3 20678 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [0,1,0,1,0,0|1,0,0]=3 20679 B11R1.99 CCCSCCNCC1CC1 2230a_100020603323_100000742324 [0,1,0,1,0,0|2,0,0]=4 20680 B11R1.99 CCCSCCNCC1CC1 269862a_100020603323_100000741477 [0,1,0,1,0,0|2,0,0]=4 20681 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [0,1,0,1,0,0|1,0,0]=3 20682 B11R1.99 CCCSCCOCC1CC1 34a_200000230433_100000742324 [0,1,0,1,0,0|2,0,0]=4 20683 B11R1.99 CCCSCCOCC1CC1 7a_200000230433_100000742324 [0,1,0,1,0,0|2,0,0]=4 20684 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [0,1,0,1,0,0|1,0,0]=3 20685 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [0,1,0,1,0,0|1,0,0]=3 20686 B11R1.99 CCCSCCOCC1CS1 7a_200000230433_100000031435 [0,1,0,1,0,0|1,1,0]=4 20687 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [0,1,0,1,0,0|1,0,0]=3 20688 B11R1.99 CCOCCCNCC1CC1 2230a_100000210961_100000742324 [0,1,0,1,0,0|2,0,0]=4 20689 B11R1.99 CCOCCCNCC1CC1 2230a_100000735609_100012232248 [0,1,0,1,0,0|2,0,0]=4 20690 B11R1.99 CCOCCCNCC1CC1 269862a_100000210961_100000741477 [0,1,0,1,0,0|2,0,0]=4 20691 B11R1.99 CCOCCCNCC1CC1 34a_100000210961_100000742324 [0,1,0,1,0,0|2,0,0]=4 20692 B11R1.99 CCOCCCNCC1CC1 34a_100000735609_100012232248 [0,1,0,1,0,0|2,0,0]=4 20693 B11R1.99 CCOCCCNCC1CO1 2230a_100000210961_100011216344 [0,1,0,1,0,0|1,0,0]=3 20694 B11R1.99 CCOCCCNCC1CO1 34a_100000210961_102125554688 [0,1,0,1,0,0|1,0,0]=3 20695 B11R1.99 CCOCCCOCC1CC1 34a_100000211283_100012232248 [0,1,0,1,0,0|2,0,0]=4 20696 B11R1.99 CCOCCCOCC1CC1 34a_100000757476_100000742324 [0,1,0,1,0,0|2,0,0]=4 20697 B11R1.99 CCOCCCOCC1CC1 7a_100000757476_100000742324 [0,1,0,1,0,0|2,0,0]=4 20698 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [0,1,0,1,0,0|1,0,0]=3 20699 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [0,1,0,1,0,0|1,0,0]=3 20700 B11R1.99 CCOCCCOCC1CS1 7a_100000757476_100000031435 [0,1,0,1,0,0|1,1,0]=4 20701 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [0,1,0,1,0,0|1,0,0]=3 20702 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [0,1,0,1,0,0|1,0,0]=3 20703 B11R1.99 CCOCCCSCC1CC1 62a_100000756562_100012232248 [0,1,0,1,0,0|2,0,0]=4 20704 B11R1.99 CCOCCCSCC1CC1 62a_100012232248_100000742324 [0,1,0,1,0,0|2,0,0]=4 20705 B11R1.99 CCOCCCSCC1CO1 62a_100012232248_102125554688 [0,1,0,1,0,0|1,0,0]=3 20706 B11R1.99 CCOCCCSCC1CO1 62a_102125554688_100012232248 [0,1,0,1,0,0|1,0,0]=3 20707 B11R1.99 CCOCCCSCC1CS1 62a_100000031435_100012232248 [0,1,0,1,0,0|1,1,0]=4 20708 B11R1.99 CCOCCCSCC1CS1 62a_100012232248_100000031435 [0,1,0,1,0,0|1,1,0]=4 20709 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [0,1,0,1,0,0|1,0,0]=3 20710 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [0,1,0,1,0,0|1,0,0]=3 20711 B11R1.99 CCOCCNCCC1CC1 2230a_102516460346_100000694398 [0,1,0,1,0,0|2,0,0]=4 20712 B11R1.99 CCOCCNCCC1CC1 34a_100000764129_100000210147 [0,1,0,1,0,0|2,0,0]=4 20713 B11R1.99 CCOCCNCCC1CC1 34a_102516460346_100000694398 [0,1,0,1,0,0|2,0,0]=4 20714 B11R1.99 CCOCCNCCC1CO1 2230a_102516460346_100000732470 [0,1,0,1,0,0|1,0,0]=3 20715 B11R1.99 CCOCCNCCC1CO1 34a_102516460346_100000732470 [0,1,0,1,0,0|1,0,0]=3 20716 B11R1.99 CCOCCOCCC1CC1 34a_100000210136_100000694398 [0,1,0,1,0,0|2,0,0]=4 20717 B11R1.99 CCOCCOCCC1CC1 34a_100000754188_100000210147 [0,1,0,1,0,0|2,0,0]=4 20718 B11R1.99 CCOCCOCCC1CC1 7a_100000210136_100000764125 [0,1,0,1,0,0|2,0,0]=4 20719 B11R1.99 CCOCCOCCC1CC1 7a_100000754188_100011215890 [0,1,0,1,0,0|2,0,0]=4 20720 B11R1.99 CCOCCOCCC1CO1 34a_100000210136_100000732470 [0,1,0,1,0,0|1,0,0]=3 20721 B11R1.99 CCOCCOCCC1CO1 7a_100000210136_100000732470 [0,1,0,1,0,0|1,0,0]=3 20722 B11R1.99 CCOCCOCC[C@@H]1CO1 34a_100009820653_100000210147 [0,1,0,1,0,0|1,0,0]=3 20723 B11R1.99 CCOCCSCCC1CC1 62a_100000210147_100000764125 [0,1,0,1,0,0|2,0,0]=4 20724 B11R1.99 CCOCCSCCC1CC1 62a_100000764125_100011215890 [0,1,0,1,0,0|2,0,0]=4 20725 B11R1.99 CCOCCSCCC1CO1 62a_100000210147_100000732470 [0,1,0,1,0,0|1,0,0]=3 20726 B11R1.99 CCOCCSCCC1CO1 62a_100000732470_100011215890 [0,1,0,1,0,0|1,0,0]=3 20727 B11R1.99 CCOCSCCCC1CO1 62a_100000733510_100000739092 [0,1,0,1,0,0|1,0,0]=3 20728 B11R1.99 CCOCSCCCC1CO1 62a_100000739092_100000733510 [0,1,0,1,0,0|1,0,0]=3 20729 B11R1.99 CCSCCCOCC1CC1 34a_100011216438_100000742324 [0,1,0,1,0,0|2,0,0]=4 20730 B11R1.99 CCSCCCOCC1CC1 7a_100011216438_100000742324 [0,1,0,1,0,0|2,0,0]=4 20731 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [0,1,0,1,0,0|1,0,0]=3 20732 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [0,1,0,1,0,0|1,0,0]=3 20733 B11R1.99 CCSCCCOCC1CS1 7a_100011216438_100000031435 [0,1,0,1,0,0|1,1,0]=4 20734 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [0,1,0,1,0,0|1,0,0]=3 20735 B11R1.99 CCSCCNCCC1CC1 2230a_100000106463_100000694398 [0,1,0,1,0,0|2,0,0]=4 20736 B11R1.99 CCSCCNCCC1CC1 34a_100000764129_100000757381 [0,1,0,1,0,0|2,0,0]=4 20737 B11R1.99 CCSCCNCCC1CO1 2230a_100000106463_100000732470 [0,1,0,1,0,0|1,0,0]=3 20738 B11R1.99 CCSCCOCCC1CC1 34a_100000212035_100000694398 [0,1,0,1,0,0|2,0,0]=4 20739 B11R1.99 CCSCCOCCC1CC1 34a_100000754188_100000757381 [0,1,0,1,0,0|2,0,0]=4 20740 B11R1.99 CCSCCOCCC1CC1 7a_100000212035_100000764125 [0,1,0,1,0,0|2,0,0]=4 20741 B11R1.99 CCSCCOCCC1CC1 7a_100000754188_100000757381 [0,1,0,1,0,0|2,0,0]=4 20742 B11R1.99 CCSCCOCCC1CO1 34a_100000212035_100000732470 [0,1,0,1,0,0|1,0,0]=3 20743 B11R1.99 CCSCCOCCC1CO1 7a_100000212035_100000732470 [0,1,0,1,0,0|1,0,0]=3 20744 B11R1.99 CCSCCOCC[C@@H]1CO1 34a_100009820653_100000757381 [0,1,0,1,0,0|1,0,0]=3 20745 B11R1.99 CCSCCSCCC1CC1 62a_100000757381_100000764125 [0,1,0,1,0,0|2,0,0]=4 20746 B11R1.99 CCSCCSCCC1CC1 62a_100000764125_100000757381 [0,1,0,1,0,0|2,0,0]=4 20747 B11R1.99 CCSCCSCCC1CO1 62a_100000732470_100000757381 [0,1,0,1,0,0|1,0,0]=3 20748 B11R1.99 CCSCCSCCC1CO1 62a_100000757381_100000732470 [0,1,0,1,0,0|1,0,0]=3 20749 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,1,0,1,0,0|2,0,0]=4 20750 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [0,1,0,1,0,0|2,0,0]=4 20751 B11R1.99 CNCCCOCCC1CO1 34a_100000213112_100000732470 [0,1,0,1,0,0|1,0,0]=3 20752 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,1,0,1,0,0|2,0,0]=4 20753 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [0,1,0,1,0,0|2,0,0]=4 20754 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [0,1,0,1,0,0|2,0,0]=4 20755 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [0,1,0,1,0,0|2,0,0]=4 20756 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [0,1,0,1,0,0|2,0,0]=4 20757 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [0,1,0,1,0,0|1,0,0]=3 20758 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [0,1,0,1,0,0|1,0,0]=3 20759 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [0,1,0,1,0,0|1,0,0]=3 20760 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [0,1,0,1,0,0|1,0,0]=3 20761 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [0,1,0,1,0,0|2,0,0]=4 20762 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [0,1,0,1,0,0|2,0,0]=4 20763 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [0,1,0,1,0,0|1,0,0]=3 20764 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [0,1,0,1,0,0|1,0,0]=3 20765 B11R1.99 COCCCCSCC1CS1 62a_100000031435_100000730899 [0,1,0,1,0,0|1,1,0]=4 20766 B11R1.99 COCCCCSCC1CS1 62a_100000730899_100000031435 [0,1,0,1,0,0|1,1,0]=4 20767 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [0,1,0,1,0,0|1,0,0]=3 20768 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [0,1,0,1,0,0|1,0,0]=3 20769 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,1,0,1,0,0|2,0,0]=4 20770 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,1,0,1,0,0|2,0,0]=4 20771 B11R1.99 COCCCNCCC1CO1 34a_100150723488_100000732470 [0,1,0,1,0,0|1,0,0]=3 20772 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,1,0,1,0,0|2,0,0]=4 20773 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,1,0,1,0,0|2,0,0]=4 20774 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,1,0,1,0,0|2,0,0]=4 20775 B11R1.99 COCCCOCCC1CO1 34a_100000740835_100000732470 [0,1,0,1,0,0|1,0,0]=3 20776 B11R1.99 COCCCOCC[C@@H]1CO1 34a_100009820653_100000740836 [0,1,0,1,0,0|1,0,0]=3 20777 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,1,0,1,0,0|2,0,0]=4 20778 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,1,0,1,0,0|2,0,0]=4 20779 B11R1.99 COCCCSCCC1CO1 62a_100000709357_100000732470 [0,1,0,1,0,0|1,0,0]=3 20780 B11R1.99 COCCCSCCC1CO1 62a_100000732470_100000709357 [0,1,0,1,0,0|1,0,0]=3 20781 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [0,1,0,1,0,0|1,0,0]=3 20782 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [0,1,0,1,0,0|1,0,0]=3 20783 B11R1.99 COCCOCSCC1CO1 62a_100000231047_102125554688 [0,1,0,1,0,0|2,0,0]=4 20784 B11R1.99 COCCOCSCC1CO1 62a_102125554688_100000231047 [0,1,0,1,0,0|2,0,0]=4 20785 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000231047_100000745022 [0,1,0,1,0,0|2,0,0]=4 20786 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000745022_100000231047 [0,1,0,1,0,0|2,0,0]=4 20787 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [0,1,0,1,0,0|1,0,0]=3 20788 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [0,1,0,1,0,0|1,0,0]=3 20789 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [0,1,0,1,0,0|2,0,0]=4 20790 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [0,1,0,1,0,0|2,0,0]=4 20791 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [0,1,0,1,0,0|1,0,0]=3 20792 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [0,1,0,1,0,0|1,0,0]=3 20793 B11R1.99 CSCCCCOCC1CS1 7a_100011217163_100000031435 [0,1,0,1,0,0|1,1,0]=4 20794 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [0,1,0,1,0,0|1,0,0]=3 20795 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [0,1,0,1,0,0|2,0,0]=4 20796 B11R1.99 CSCCCNCCC1CO1 2230a_100000749238_100000732470 [0,1,0,1,0,0|1,0,0]=3 20797 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [0,1,0,1,0,0|2,0,0]=4 20798 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [0,1,0,1,0,0|2,0,0]=4 20799 B11R1.99 CSCCCOCCC1CO1 34a_100000690336_100000732470 [0,1,0,1,0,0|1,0,0]=3 20800 B11R1.99 CSCCCOCCC1CO1 7a_100000690336_100000732470 [0,1,0,1,0,0|1,0,0]=3 20801 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [0,1,0,1,0,0|1,0,0]=3 20802 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [0,1,0,1,0,0|1,0,0]=3 20803 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [0,1,0,1,0,0|1,0,0]=3 20804 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [0,1,0,1,0,0|1,0,0]=3 20805 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [0,1,0,1,0,0|1,0,0]=3 20806 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,1,0,1,0,0|2,0,0]=4 20807 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [0,1,0,1,0,0|2,0,0]=4 20808 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [0,1,0,1,0,0|2,0,0]=4 20809 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 20810 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 20811 B11R1.99 ClCCCCCOCC1CS1 7a_100000746330_100000031435 [0,1,0,1,0,0|1,1,0]=4 20812 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [0,1,0,1,0,0|1,0,0]=3 20813 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [0,1,0,1,0,0|2,0,0]=4 20814 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [0,1,0,1,0,0|2,0,0]=4 20815 B11R1.99 ClCCCCOCCC1CO1 34a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 20816 B11R1.99 ClCCCCOCCC1CO1 7a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 20817 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [0,1,0,1,0,0|1,0,0]=3 20818 B11R1.99 ClCCOCCOCC1CO1 34a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 20819 B11R1.99 ClCCOCCOCC1CO1 7a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 20820 B11R1.99 ClCCOCCOC[C@@H]1CO1 7a_100011215305_100000745022 [0,1,0,1,0,0|2,0,0]=4 20821 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [0,1,0,1,0,0|2,0,0]=4 20822 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,1,0,1,0,0|2,0,0]=4 20823 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [0,1,0,1,0,0|2,0,0]=4 20824 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [0,1,0,1,0,0|2,0,0]=4 20825 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [0,1,0,1,0,0|2,0,0]=4 20826 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [0,1,0,1,0,0|2,0,0]=4 20827 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [0,1,0,1,0,0|1,0,0]=3 20828 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [0,1,0,1,0,0|2,0,0]=4 20829 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [0,1,0,1,0,0|2,0,0]=4 20830 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [0,1,0,1,0,0|1,0,0]=3 20831 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [0,1,0,1,0,0|1,0,0]=3 20832 B11R1.99 FCCCCCSCC1CS1 62a_100000031435_100000729378 [0,1,0,1,0,0|1,1,0]=4 20833 B11R1.99 FCCCCCSCC1CS1 62a_100000729378_100000031435 [0,1,0,1,0,0|1,1,0]=4 20834 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [0,1,0,1,0,0|1,0,0]=3 20835 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [0,1,0,1,0,0|1,0,0]=3 20836 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [0,1,0,1,0,0|2,0,0]=4 20837 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [0,1,0,1,0,0|2,0,0]=4 20838 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [0,1,0,1,0,0|2,0,0]=4 20839 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [0,1,0,1,0,0|2,0,0]=4 20840 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [0,1,0,1,0,0|2,0,0]=4 20841 B11R1.99 FCCCCOCCC1CO1 34a_100011995726_100000732470 [0,1,0,1,0,0|1,0,0]=3 20842 B11R1.99 FCCCCOCCC1CO1 7a_100011995726_100000732470 [0,1,0,1,0,0|1,0,0]=3 20843 B11R1.99 FCCCCOCC[C@@H]1CO1 34a_100009820653_100000729493 [0,1,0,1,0,0|1,0,0]=3 20844 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [0,1,0,1,0,0|2,0,0]=4 20845 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [0,1,0,1,0,0|2,0,0]=4 20846 B11R1.99 FCCCCSCCC1CO1 62a_100000729493_100000732470 [0,1,0,1,0,0|1,0,0]=3 20847 B11R1.99 FCCCCSCCC1CO1 62a_100000732470_100000729493 [0,1,0,1,0,0|1,0,0]=3 20848 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [0,1,0,1,0,0|1,0,0]=3 20849 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [0,1,0,1,0,0|1,0,0]=3 20850 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [0,1,0,1,0,0|1,0,0]=3 20851 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [0,1,0,1,0,0|1,0,0]=3 20852 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [0,1,0,1,0,0|1,0,0]=3 20853 B11R1.99 FCCOCCOCC1CO1 34a_200015357709_102125554688 [0,1,0,1,0,0|2,0,0]=4 20854 B11R1.99 FCCOCCOCC1CO1 7a_200015357709_102125554688 [0,1,0,1,0,0|2,0,0]=4 20855 B11R1.99 FCCOCCOC[C@@H]1CO1 7a_200015357709_100000745022 [0,1,0,1,0,0|2,0,0]=4 20856 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [0,1,0,1,0,0|2,0,0]=4 20857 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [0,1,0,1,0,0|2,0,0]=4 20858 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [0,1,0,1,0,0|1,0,0]=3 20859 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [0,1,0,1,0,0|1,0,0]=3 20860 B11R1.99 ICCCCCOCC1CS1 7a_200012148887_100000031435 [0,1,0,1,0,0|1,1,0]=4 20861 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [0,1,0,1,0,0|1,0,0]=3 20862 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [0,1,0,1,0,0|2,0,0]=4 20863 B11R1.99 ICCCCOCCC1CO1 34a_200012148704_100000732470 [0,1,0,1,0,0|1,0,0]=3 20864 B11R1.99 ICCOCCOCC1CO1 34a_100012149058_102125554688 [0,1,0,1,0,0|2,0,0]=4 20865 B11R1.99 ICCOCCOCC1CO1 7a_100012149058_102125554688 [0,1,0,1,0,0|2,0,0]=4 20866 B11R1.99 ICCOCCOC[C@@H]1CO1 7a_100012149058_100000745022 [0,1,0,1,0,0|2,0,0]=4 20867 B11R1.99 N#CCCCCSCC1CO1 62a_100011219923_102125554688 [0,1,0,1,0,0|1,0,1]=4 20868 B11R1.99 N#CCCCCSCC1CO1 62a_102125554688_100000211819 [0,1,0,1,0,0|1,0,1]=4 20869 B11R1.99 N#CCCCCSC[C@@H]1CO1 62a_100000745022_100000211819 [0,1,0,1,0,0|1,0,1]=4 20870 B11R1.99 N#CCCCCSC[C@@H]1CO1 62a_100011219923_100000745022 [0,1,0,1,0,0|1,0,1]=4 20871 B11R1.99 N#CCCCSCCC1CO1 62a_100000687738_100000732470 [0,1,0,1,0,0|1,0,1]=4 20872 B11R1.99 N#CCCCSCCC1CO1 62a_100000732470_100000687738 [0,1,0,1,0,0|1,0,1]=4 20873 B11R1.99 N#CCCSCCCC1CO1 62a_100000733510_100011215226 [0,1,0,1,0,0|1,0,1]=4 20874 B11R1.99 N#CCCSCCCC1CO1 62a_100011215226_100000733510 [0,1,0,1,0,0|1,0,1]=4 20875 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|2,0,0]=4 20876 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|2,0,0]=4 20877 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,0]=3 20878 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|2,0,0]=4 20879 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 20880 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,1,0,1,0,0|1,0,0]=3 20881 B11R1.99 NCCOCCOCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|2,0,0]=4 20882 B11R1.99 NOCCOCCCC1CO1 34a_100000700252_100000733510 [0,1,0,1,0,0|2,0,0]=4 20883 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,1,0,1,0,0|1,0,1]=4 20884 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,1,0,1,0,0|1,0,1]=4 20885 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,1,0,1,0,0|1,0,1]=4 20886 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,1,0,1,0,0|1,0,1]=4 20887 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [0,1,0,1,0,0|1,0,1]=4 20888 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [0,1,0,1,0,0|1,0,1]=4 20889 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,1,0,1,0,0|2,0,0]=4 20890 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|2,0,0]=4 20891 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,1,0,1,0,0|2,0,0]=4 20892 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,1,0,1,0,0|2,0,0]=4 20893 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,1,0,1,0,0|2,0,0]=4 20894 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,1,0,1,0,0|2,0,0]=4 20895 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,1,0,1,0,0|2,0,0]=4 20896 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|2,0,0]=4 20897 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,1,0,1,0,0|1,0,0]=3 20898 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,0]=3 20899 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|2,0,0]=4 20900 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,1,0,1,0,0|1,0,0]=3 20901 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,1,0,1,0,0|2,0,0]=4 20902 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,1,0,1,0,0|2,0,0]=4 20903 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 20904 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,1,0,1,0,0|1,0,0]=3 20905 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [0,1,0,1,0,0|1,1,0]=4 20906 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [0,1,0,1,0,0|1,1,0]=4 20907 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,1,0,1,0,0|1,0,0]=3 20908 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,1,0,1,0,0|1,0,0]=3 20909 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,1,0,1,0,0|2,0,0]=4 20910 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|2,0,0]=4 20911 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,1,0,1,0,0|2,0,0]=4 20912 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 20913 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 20914 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,1,0,1,0,0|2,0,0]=4 20915 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,1,0,1,0,0|2,0,0]=4 20916 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [0,1,0,1,0,0|1,0,0]=3 20917 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,1,0,1,0,0|2,0,0]=4 20918 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,1,0,1,0,0|2,0,0]=4 20919 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 20920 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [0,1,0,1,0,0|1,0,0]=3 20921 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,1,0,1,0,0|1,0,0]=3 20922 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,1,0,1,0,0|1,0,0]=3 20923 B11R1.99 OCCOCCNCC1CO1 2230a_100000211614_100011216344 [0,1,0,1,0,0|2,0,0]=4 20924 B11R1.99 OCCOCCNCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|2,0,0]=4 20925 B11R1.99 OCCOCCOC[C@@H]1CO1 34a_100000757423_100000692535 [0,1,0,1,0,0|2,0,0]=4 20926 B11R1.99 OCCOCCSCC1CO1 62a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 20927 B11R1.99 OCCOCCSCC1CO1 62a_102125554688_100011215305 [0,1,0,1,0,0|2,0,0]=4 20928 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100000745022_100011215305 [0,1,0,1,0,0|2,0,0]=4 20929 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100011215305_100000745022 [0,1,0,1,0,0|2,0,0]=4 20930 B11R1.99 OCCSCCNCC1CO1 2230a_100011219999_100011216344 [0,1,0,1,0,0|2,0,0]=4 20931 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [0,1,0,1,0,0|1,0,0]=3 20932 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [0,1,0,1,0,0|1,0,0]=3 20933 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [0,1,0,1,0,0|1,0,1]=4 20934 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [0,1,0,1,0,0|1,0,1]=4 20935 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,1,0,1,0,0|0,0,2]=4 20936 B11R1.102 CC(C)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011214892 [0,1,0,1,0,0|2,0,0]=4 20937 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011214892 [0,1,0,1,0,0|2,0,0]=4 20938 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100011214892 [0,1,0,1,0,0|2,0,0]=4 20939 B11R1.102 CC(C)CCOCC1CC1C 34a_100000744939_100000210312 [0,1,0,1,0,0|1,0,0]=3 20940 B11R1.102 CC(C)CCOCC1CC1C 7a_100000744939_100000210626 [0,1,0,1,0,0|1,0,0]=3 20941 B11R1.102 CC(C)OCOCC1CC1C 34a_100000744939_100000709892 [0,1,0,1,0,0|2,0,0]=4 20942 B11R1.102 CC(O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200000718107 [0,1,0,1,0,0|1,0,0]=3 20943 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_200000718107 [0,1,0,1,0,0|1,0,0]=3 20944 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_200000718107 [0,1,0,1,0,0|1,0,0]=3 20945 B11R1.102 CC(O)CCOCC1CC1C 34a_100000744939_100012276601 [0,1,0,1,0,0|0,0,0]=2 20946 B11R1.102 CC(O)CCOCC1CC1C 7a_100000744939_100012276601 [0,1,0,1,0,0|0,0,0]=2 20947 B11R1.102 CC1CC1COCCN(C)C 7a_100000744939_100000755713 [0,1,0,1,0,0|2,0,0]=4 20948 B11R1.110 C#CCN1CCCCC(C1)O 2230a_100025706797_100000038162 [0,1,0,1,0,0|0,0,2]=4 20949 B11R1.110 C=CCN1CCCCC(C1)O 2230a_100025706797_100000210623 [0,1,0,1,0,0|0,0,2]=4 20950 B11R1.110 C=CCN1CCCCC(C1)O 269982a_100025706797_100000210623 [0,1,0,1,0,0|0,0,2]=4 20951 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,1,0,1,0,0|0,0,0]=2 20952 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,1,0,1,0,0|0,0,0]=2 20953 B11R1.110 CCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210303 [0,1,0,1,0,0|1,0,0]=3 20954 B11R1.110 CCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210303 [0,1,0,1,0,0|1,0,0]=3 20955 B11R1.110 COCN1CCCCC(C1)O 2230a_100025706797_100000766300 [0,1,0,1,0,0|1,0,0]=3 20956 B11R1.110 COCN1CCCCC(C1)O 269982a_100025706797_100000766300 [0,1,0,1,0,0|1,0,0]=3 20957 B11R1.110 COCN1CCOC[C@@H](C1)O 2230a_100016073750_100000766300 [0,1,0,1,0,0|2,0,0]=4 20958 B11R1.110 COCN1CCOC[C@@H](C1)O 269982a_100016073750_100000766300 [0,1,0,1,0,0|2,0,0]=4 20959 B11R1.110 CSCN1CCCCC(C1)O 2230a_100025706797_100011218213 [0,1,0,1,0,0|1,0,0]=3 20960 B11R1.110 CSCN1CCCCC(C1)O 269982a_100025706797_100011218213 [0,1,0,1,0,0|1,0,0]=3 20961 B11R1.110 CSCN1CCOC[C@@H](C1)O 2230a_100016073750_100011218213 [0,1,0,1,0,0|2,0,0]=4 20962 B11R1.110 CSCN1CCOC[C@@H](C1)O 269982a_100016073750_100011218213 [0,1,0,1,0,0|2,0,0]=4 20963 B11R1.110 N#CCN1CCCCC(C1)O 2230a_100025706797_100011215382 [0,1,0,1,0,0|1,0,1]=4 20964 B11R1.110 N#CCN1CCCCC(C1)O 269982a_100025706797_100011214920 [0,1,0,1,0,0|1,0,1]=4 20965 B11R1.110 O=CCN1CCCCC(C1)O 2230a_100025706797_200015260668 [0,1,0,1,0,0|1,0,1]=4 20966 B11R1.110 O=CCN1CCCCC(C1)O 269982a_100025706797_200015260668 [0,1,0,1,0,0|1,0,1]=4 20967 B11R1.110 OC1CCCCN(C1)CCF 2230a_100025706797_100011217306 [0,1,0,1,0,0|1,0,0]=3 20968 B11R1.110 OC1CCCCN(C1)CCF 269982a_100025706797_100011217306 [0,1,0,1,0,0|1,0,0]=3 20969 B11R1.110 OCCN1CCCCC(C1)O 2230a_100025706797_100000211926 [0,1,0,1,0,0|1,0,0]=3 20970 B11R1.110 OCCN1CCCCC(C1)O 269982a_100025706797_100000211926 [0,1,0,1,0,0|1,0,0]=3 20971 B11R1.110 OCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000211926 [0,1,0,1,0,0|2,0,0]=4 20972 B11R1.110 OCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000211926 [0,1,0,1,0,0|2,0,0]=4 20973 B11R1.110 O[C@H]1COCCN(C1)CCF 2230a_100016073750_100011217306 [0,1,0,1,0,0|2,0,0]=4 20974 B11R1.110 O[C@H]1COCCN(C1)CCF 269982a_100016073750_100011217306 [0,1,0,1,0,0|2,0,0]=4 20975 B11R1.113 COCC1CCN1CC(C)C 2230a_100015195929_100000210760 [0,1,0,1,0,0|2,0,0]=4 20976 B11R1.113 COCC1CCN1CC(C)C 269982a_100015195929_100000210624 [0,1,0,1,0,0|2,0,0]=4 20977 B11R1.113 COCC1CCN1CC(C)C 270004a_100015195929_100000210432 [0,1,0,1,0,0|2,0,0]=4 20978 B11R1.113 COCC1CCN1CC(C)C 34a_100015195929_100000210624 [0,1,0,1,0,0|2,0,0]=4 20979 B11R1.113 COCC1CCN1CC(C)O 2230a_100015195929_100011218427 [0,1,0,1,0,0|1,0,0]=3 20980 B11R1.113 COCC1CCN1CC(C)O 269982a_100015195929_100011218427 [0,1,0,1,0,0|1,0,0]=3 20981 B11R1.113 COCC1CCN1CC(C)O 34a_100015195929_100011218427 [0,1,0,1,0,0|1,0,0]=3 20982 B11R1.113 COCC1CCN1C[C@@H](C)O 2230a_100015195929_100009817552 [0,1,0,1,0,0|1,0,0]=3 20983 B11R1.113 COCC1CCN1C[C@@H](C)O 269982a_100015195929_100009817552 [0,1,0,1,0,0|1,0,0]=3 20984 B11R1.113 COCC1CCN1C[C@@H](C)O 34a_100015195929_100009817552 [0,1,0,1,0,0|1,0,0]=3 20985 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|0,0,2]=4 20986 B11R1.143 CC(C)C1CCCCCN1C 2230a_100000697956_200000210301 [0,1,0,1,0,0|1,0,0]=3 20987 B11R1.143 CC(C)C1CCCCCN1C 269982a_100000697956_200000210301 [0,1,0,1,0,0|1,0,0]=3 20988 B11R1.143 CC(C)C1CCCCCN1C 34a_100000697956_200000210301 [0,1,0,1,0,0|1,0,0]=3 20989 B11R1.143 CC(C)C1CCCCCN1[13CH3] 2230a_100000697956_200025704644 [0,1,0,1,0,0|1,0,0]=3 20990 B11R1.143 CC(C)C1CCCCCN1[13CH3] 269982a_100000697956_200025704644 [0,1,0,1,0,0|1,0,0]=3 20991 B11R1.143 CC(C)C1CCCCCN1[13CH3] 34a_100000697956_200025704644 [0,1,0,1,0,0|1,0,0]=3 20992 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|1,0,1]=4 20993 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|0,0,2]=4 20994 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|1,0,1]=4 20995 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,1,0,1,0,0|0,0,2]=4 20996 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,1,0,1,0,0|0,0,2]=4 20997 B11R1.161 CC(C)CCCN1CCC1C 269982a_100000755817_100011214892 [0,1,0,1,0,0|1,0,0]=3 20998 B11R1.161 CC(C)CCCN1CCC1C 34a_100000755817_100011214892 [0,1,0,1,0,0|1,0,0]=3 20999 B11R1.161 CC(C)OCCN1CCC1C 269982a_100000755817_100000211751 [0,1,0,1,0,0|2,0,0]=4 21000 B11R1.161 CC(C)OCCN1CCC1C 34a_100000755817_100000211751 [0,1,0,1,0,0|2,0,0]=4 21001 B11R1.161 CC(C)SCCN1CCC1C 269982a_100000755817_100000730970 [0,1,0,1,0,0|2,0,0]=4 21002 B11R1.161 CC(C)SCCN1CCC1C 34a_100000755817_100000730970 [0,1,0,1,0,0|2,0,0]=4 21003 B11R1.161 CC(O)CCCN1CCC1C 269982a_100000755817_200000718107 [0,1,0,1,0,0|0,0,0]=2 21004 B11R1.161 CC(O)CCCN1CCC1C 34a_100000755817_200000718107 [0,1,0,1,0,0|0,0,0]=2 21005 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,1,0,1,0,0|1,0,1]=4 21006 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,1,0,1,0,0|1,0,1]=4 21007 B11R1.161 CC1CCN1CCCN(C)C 269982a_100000755817_100000757444 [0,1,0,1,0,0|2,0,0]=4 21008 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [0,1,0,1,0,0|1,0,1]=4 21009 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [0,1,0,1,0,0|1,0,1]=4 21010 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [0,1,0,1,0,0|1,0,1]=4 21011 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [0,1,0,1,0,0|1,0,1]=4 21012 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [0,1,0,1,0,0|1,0,1]=4 21013 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [0,1,0,1,0,0|1,0,1]=4 21014 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,1,0,1,0,0|0,0,2]=4 21015 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,1,0,1,0,0|0,0,2]=4 21016 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,1,0,1,0,0|0,0,2]=4 21017 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,1,0,1,0,0|0,0,2]=4 21018 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,1,0,1,0,0|0,0,2]=4 21019 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,1,0,1,0,0|0,0,2]=4 21020 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,1,0,1,0,0|0,0,2]=4 21021 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,1,0,1,0,0|0,0,2]=4 21022 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,1,0,1,0,0|0,0,2]=4 21023 B11R1.174 CC(Br)CCOCC1CCC1 34a_100009893172_100000763275 [0,1,0,1,0,0|1,0,0]=3 21024 B11R1.174 CC(Br)CCOCC1CCO1 34a_100009893172_100000103362 [0,1,0,1,0,0|2,0,0]=4 21025 B11R1.174 CC(Br)CCOCC1COC1 34a_100009893172_100010264016 [0,1,0,1,0,0|2,0,0]=4 21026 B11R1.174 CC(C)CCCCN1CCC1 269982a_100000754969_100011216152 [0,1,0,1,0,0|1,0,0]=3 21027 B11R1.174 CC(C)CCCNC1CCC1 2230a_100000749019_100011214892 [0,1,0,1,0,0|1,0,0]=3 21028 B11R1.174 CC(C)CCCNC1CCC1 270004a_200000737386_100000241760 [0,1,0,1,0,0|1,0,0]=3 21029 B11R1.174 CC(C)CCCNC1CCC1 34a_100000749019_100011214892 [0,1,0,1,0,0|1,0,0]=3 21030 B11R1.174 CC(C)CCCNC1CCC1 34a_200000737386_100000749161 [0,1,0,1,0,0|1,0,0]=3 21031 B11R1.174 CC(C)CCCNC1COC1 2230a_100016991112_100011214892 [0,1,0,1,0,0|2,0,0]=4 21032 B11R1.174 CC(C)CCCNC1COC1 34a_200000737386_100009818527 [0,1,0,1,0,0|2,0,0]=4 21033 B11R1.174 CC(C)CCCOC1CCC1 34a_100000210774_100000749161 [0,1,0,1,0,0|1,0,0]=3 21034 B11R1.174 CC(C)CCCOC1CCC1 34a_100000748187_100011214892 [0,1,0,1,0,0|1,0,0]=3 21035 B11R1.174 CC(C)CCCOC1COC1 34a_100000210774_100009818527 [0,1,0,1,0,0|2,0,0]=4 21036 B11R1.174 CC(C)CCCOC1COC1 7a_100000210774_100009818527 [0,1,0,1,0,0|2,0,0]=4 21037 B11R1.174 CC(C)CCCOC1CSC1 7a_100000072292_100011214892 [0,1,0,1,0,0|2,0,0]=4 21038 B11R1.174 CC(C)CCCSC1CCC1 62a_100011214892_100000749161 [0,1,0,1,0,0|1,0,0]=3 21039 B11R1.174 CC(C)CCCSC1COC1 62a_100011214892_100009818527 [0,1,0,1,0,0|2,0,0]=4 21040 B11R1.174 CC(C)CCNCC1CCC1 2230a_100000738700_100000210312 [0,1,0,1,0,0|1,0,0]=3 21041 B11R1.174 CC(C)CCNCC1CCC1 269862a_100000210545_100000753134 [0,1,0,1,0,0|1,0,0]=3 21042 B11R1.174 CC(C)CCNCC1CCC1 269862a_100000738700_100000185833 [0,1,0,1,0,0|1,0,0]=3 21043 B11R1.174 CC(C)CCNCC1CCC1 34a_100000738700_100000210312 [0,1,0,1,0,0|1,0,0]=3 21044 B11R1.174 CC(C)CCNCC1COC1 2230a_100015281925_100000210312 [0,1,0,1,0,0|2,0,0]=4 21045 B11R1.174 CC(C)CCNCC1COC1 269862a_100015281925_100000185833 [0,1,0,1,0,0|2,0,0]=4 21046 B11R1.174 CC(C)CCNCC1COC1 34a_100015281925_100000210312 [0,1,0,1,0,0|2,0,0]=4 21047 B11R1.174 CC(C)CCNC[C@@H]1CCO1 2230a_100020831831_100000210312 [0,1,0,1,0,0|2,0,0]=4 21048 B11R1.174 CC(C)CCNC[C@@H]1CCO1 269862a_100020831831_100000185833 [0,1,0,1,0,0|2,0,0]=4 21049 B11R1.174 CC(C)CCNC[C@@H]1CCO1 34a_100020831831_100000210312 [0,1,0,1,0,0|2,0,0]=4 21050 B11R1.174 CC(C)CCOCC1CCC1 34a_100000210254_100000763275 [0,1,0,1,0,0|1,0,0]=3 21051 B11R1.174 CC(C)CCOCC1CCC1 34a_100000760304_100000210312 [0,1,0,1,0,0|1,0,0]=3 21052 B11R1.174 CC(C)CCOCC1CCC1 7a_100000210254_100000763275 [0,1,0,1,0,0|1,0,0]=3 21053 B11R1.174 CC(C)CCOCC1CCO1 34a_100000039022_100000210312 [0,1,0,1,0,0|2,0,0]=4 21054 B11R1.174 CC(C)CCOCC1CCO1 34a_100000210254_100000103362 [0,1,0,1,0,0|2,0,0]=4 21055 B11R1.174 CC(C)CCOCC1CCO1 7a_100000210254_100000103362 [0,1,0,1,0,0|2,0,0]=4 21056 B11R1.174 CC(C)CCOCC1CNC1 34a_100016987283_100000210312 [0,1,0,1,0,0|2,0,0]=4 21057 B11R1.174 CC(C)CCOCC1COC1 34a_100000060846_100000210312 [0,1,0,1,0,0|2,0,0]=4 21058 B11R1.174 CC(C)CCOCC1COC1 34a_100000210254_100010264016 [0,1,0,1,0,0|2,0,0]=4 21059 B11R1.174 CC(C)CCOCC1COC1 7a_100000210254_100010264016 [0,1,0,1,0,0|2,0,0]=4 21060 B11R1.174 CC(C)CCSCC1CCC1 62a_100000210312_100000763275 [0,1,0,1,0,0|1,0,0]=3 21061 B11R1.174 CC(C)CCSCC1CCC1 62a_100000763275_100000210312 [0,1,0,1,0,0|1,0,0]=3 21062 B11R1.174 CC(C)CCSCC1CCO1 62a_100000103362_100000210312 [0,1,0,1,0,0|2,0,0]=4 21063 B11R1.174 CC(C)CCSCC1CCO1 62a_100000210312_100000103362 [0,1,0,1,0,0|2,0,0]=4 21064 B11R1.174 CC(C)CCSCC1COC1 62a_100000210312_100010264016 [0,1,0,1,0,0|2,0,0]=4 21065 B11R1.174 CC(C)CCSCC1COC1 62a_100010264016_100000210312 [0,1,0,1,0,0|2,0,0]=4 21066 B11R1.174 CC(C)COCCC1COC1 34a_100009855314_100000210624 [0,1,0,1,0,0|2,0,0]=4 21067 B11R1.174 CC(C)NCCOC1CCC1 34a_100000224655_100000749161 [0,1,0,1,0,0|2,0,0]=4 21068 B11R1.174 CC(C)OCCNC1CCC1 2230a_100000749019_100000211751 [0,1,0,1,0,0|2,0,0]=4 21069 B11R1.174 CC(C)OCCNC1CCC1 270004a_100000701111_100000241760 [0,1,0,1,0,0|2,0,0]=4 21070 B11R1.174 CC(C)OCCNC1CCC1 34a_100000701111_100000749161 [0,1,0,1,0,0|2,0,0]=4 21071 B11R1.174 CC(C)OCCNC1CCC1 34a_100000749019_100000211751 [0,1,0,1,0,0|2,0,0]=4 21072 B11R1.174 CC(C)OCCOC1CCC1 34a_100000211219_100000749161 [0,1,0,1,0,0|2,0,0]=4 21073 B11R1.174 CC(C)OCCOC1CCC1 34a_100000748187_100000211751 [0,1,0,1,0,0|2,0,0]=4 21074 B11R1.174 CC(C)OCCSC1CCC1 62a_100000211751_100000749161 [0,1,0,1,0,0|2,0,0]=4 21075 B11R1.174 CC(C)OCNCC1CCC1 2230a_100000738700_100000709892 [0,1,0,1,0,0|2,0,0]=4 21076 B11R1.174 CC(C)OCNCC1CCC1 34a_100000738700_100000709892 [0,1,0,1,0,0|2,0,0]=4 21077 B11R1.174 CC(C)OCOCC1CCC1 34a_100000760304_100000709892 [0,1,0,1,0,0|2,0,0]=4 21078 B11R1.174 CC(C)OCSCC1CCC1 62a_100000709892_100000763275 [0,1,0,1,0,0|2,0,0]=4 21079 B11R1.174 CC(C)OCSCC1CCC1 62a_100000763275_100000709892 [0,1,0,1,0,0|2,0,0]=4 21080 B11R1.174 CC(C)SCCNC1CCC1 2230a_100000749019_100000730970 [0,1,0,1,0,0|2,0,0]=4 21081 B11R1.174 CC(C)SCCNC1CCC1 270004a_100000731138_100000241760 [0,1,0,1,0,0|2,0,0]=4 21082 B11R1.174 CC(C)SCCNC1CCC1 34a_100000731138_100000749161 [0,1,0,1,0,0|2,0,0]=4 21083 B11R1.174 CC(C)SCCNC1CCC1 34a_100000749019_100000730970 [0,1,0,1,0,0|2,0,0]=4 21084 B11R1.174 CC(C)SCCOC1CCC1 34a_100000748187_100000730970 [0,1,0,1,0,0|2,0,0]=4 21085 B11R1.174 CC(C)SCCOC1CCC1 34a_200011212901_100000749161 [0,1,0,1,0,0|2,0,0]=4 21086 B11R1.174 CC(C)SCCSC1CCC1 62a_100000730970_100000749161 [0,1,0,1,0,0|2,0,0]=4 21087 B11R1.174 CC(O)CCCNC1CCC1 2230a_100000749019_200000718107 [0,1,0,1,0,0|0,0,0]=2 21088 B11R1.174 CC(O)CCCNC1CCC1 34a_100000749019_200000718107 [0,1,0,1,0,0|0,0,0]=2 21089 B11R1.174 CC(O)CCCNC1COC1 2230a_100016991112_200000718107 [0,1,0,1,0,0|1,0,0]=3 21090 B11R1.174 CC(O)CCCOC1CCC1 34a_100000748187_200000718107 [0,1,0,1,0,0|0,0,0]=2 21091 B11R1.174 CC(O)CCCOC1CSC1 7a_100000072292_200000718107 [0,1,0,1,0,0|1,0,0]=3 21092 B11R1.174 CC(O)CCCSC1CCC1 62a_200000718107_100000749161 [0,1,0,1,0,0|0,0,0]=2 21093 B11R1.174 CC(O)CCCSC1COC1 62a_200000718107_100009818527 [0,1,0,1,0,0|1,0,0]=3 21094 B11R1.174 CC(O)CCNCC1CCC1 2230a_100000738700_100012276601 [0,1,0,1,0,0|0,0,0]=2 21095 B11R1.174 CC(O)CCNCC1CCC1 2230a_200000755665_100000763275 [0,1,0,1,0,0|0,0,0]=2 21096 B11R1.174 CC(O)CCNCC1CCC1 269862a_200000755665_100000753134 [0,1,0,1,0,0|0,0,0]=2 21097 B11R1.174 CC(O)CCNCC1CCC1 34a_100000738700_100012276601 [0,1,0,1,0,0|0,0,0]=2 21098 B11R1.174 CC(O)CCNCC1CCO1 2230a_200000755665_100000103362 [0,1,0,1,0,0|1,0,0]=3 21099 B11R1.174 CC(O)CCNCC1COC1 2230a_100015281925_100012276601 [0,1,0,1,0,0|1,0,0]=3 21100 B11R1.174 CC(O)CCNCC1COC1 2230a_200000755665_100010264016 [0,1,0,1,0,0|1,0,0]=3 21101 B11R1.174 CC(O)CCNCC1COC1 34a_100015281925_100012276601 [0,1,0,1,0,0|1,0,0]=3 21102 B11R1.174 CC(O)CCNC[C@@H]1CCO1 2230a_100020831831_100012276601 [0,1,0,1,0,0|1,0,0]=3 21103 B11R1.174 CC(O)CCNC[C@@H]1CCO1 34a_100020831831_100012276601 [0,1,0,1,0,0|1,0,0]=3 21104 B11R1.174 CC(O)CCOCC1CCC1 34a_100000760304_100012276601 [0,1,0,1,0,0|0,0,0]=2 21105 B11R1.174 CC(O)CCOCC1CCO1 34a_100000039022_100012276601 [0,1,0,1,0,0|1,0,0]=3 21106 B11R1.174 CC(O)CCOCC1CNC1 34a_100016987283_100012276601 [0,1,0,1,0,0|1,0,0]=3 21107 B11R1.174 CC(O)CCOCC1COC1 34a_100000060846_100012276601 [0,1,0,1,0,0|1,0,0]=3 21108 B11R1.174 CC(O)CCSCC1CCC1 62a_100000763275_100012276601 [0,1,0,1,0,0|0,0,0]=2 21109 B11R1.174 CC(O)CCSCC1CCC1 62a_100012276601_100000763275 [0,1,0,1,0,0|0,0,0]=2 21110 B11R1.174 CC(O)CCSCC1CCO1 62a_100000103362_100012276601 [0,1,0,1,0,0|1,0,0]=3 21111 B11R1.174 CC(O)CCSCC1CCO1 62a_100012276601_100000103362 [0,1,0,1,0,0|1,0,0]=3 21112 B11R1.174 CC(O)CCSCC1COC1 62a_100010264016_100012276601 [0,1,0,1,0,0|1,0,0]=3 21113 B11R1.174 CC(O)CCSCC1COC1 62a_100012276601_100010264016 [0,1,0,1,0,0|1,0,0]=3 21114 B11R1.174 CC(O)CNN=CC1CCC1 4a_200000730056_100000753134 [0,1,0,1,0,0|1,0,1]=4 21115 B11R1.174 CC(O)COCCC1COC1 34a_100009855314_100011218427 [0,1,0,1,0,0|1,0,0]=3 21116 B11R1.174 CN(C)CCCCN1CCC1 269982a_100000754969_100000690147 [0,1,0,1,0,0|2,0,0]=4 21117 B11R1.174 CN(C)CCCNC1CCC1 270004a_102531767803_100000241760 [0,1,0,1,0,0|2,0,0]=4 21118 B11R1.174 CN(C)CCNCC1CCC1 269862a_100000210585_100000753134 [0,1,0,1,0,0|2,0,0]=4 21119 B11R1.174 CN(C)CCSCC1CCC1 62a_100000763275_100000755713 [0,1,0,1,0,0|2,0,0]=4 21120 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [0,1,0,1,0,0|1,0,1]=4 21121 B11R1.174 C[C@@H](N)CCOCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|1,0,0]=3 21122 B11R1.174 C[C@@H](N)CCOCC1CCO1 34a_100000706166_100000103362 [0,1,0,1,0,0|2,0,0]=4 21123 B11R1.174 C[C@@H](N)CCOCC1COC1 34a_100000706166_100010264016 [0,1,0,1,0,0|2,0,0]=4 21124 B11R1.174 C[C@@H](O)COCCC1COC1 34a_100009855314_100009817552 [0,1,0,1,0,0|1,0,0]=3 21125 B11R1.174 FC(F)CCOCC1CCC1 34a_100103093639_100000763275 [0,1,0,1,0,0|2,0,0]=4 21126 B11R1.174 OB(O)CCCCN1CCC1 269982a_100000754969_200009817182 [0,1,0,1,0,0|2,0,0]=4 21127 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [0,1,0,1,0,0|1,0,1]=4 21128 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [0,1,0,1,0,0|1,0,1]=4 21129 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [0,1,0,1,0,0|1,0,1]=4 21130 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [0,1,0,1,0,0|1,0,1]=4 21131 B11R1.176 C=C(C)CCOCCC1CO1 34a_100000764851_100000732470 [0,1,0,1,0,0|1,0,1]=4 21132 B11R1.176 C=C(C)CCOCC[C@@H]1CO1 34a_100009820653_100000730704 [0,1,0,1,0,0|1,0,1]=4 21133 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [0,1,0,1,0,0|1,0,1]=4 21134 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [0,1,0,1,0,0|1,0,1]=4 21135 B11R1.176 C=C(C)CCSCCC1CO1 62a_100000730704_100000732470 [0,1,0,1,0,0|1,0,1]=4 21136 B11R1.176 C=C(C)CCSCCC1CO1 62a_100000732470_100000730704 [0,1,0,1,0,0|1,0,1]=4 21137 B11R1.176 C=C(C)COCCCC1CO1 34a_100000210245_100000733510 [0,1,0,1,0,0|1,0,1]=4 21138 B11R1.176 C=C(C)CSCCCC1CO1 62a_100000733510_100000211660 [0,1,0,1,0,0|1,0,1]=4 21139 B11R1.176 C=C(C)CSCCCC1CO1 62a_100000748629_100000733510 [0,1,0,1,0,0|1,0,1]=4 21140 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,1,0,1,0,0|0,0,2]=4 21141 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,1,0,1,0,0|0,0,2]=4 21142 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,1,0,1,0,0|0,0,2]=4 21143 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,1,0,1,0,0|0,0,2]=4 21144 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,1,0,1,0,0|0,0,2]=4 21145 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,1,0,1,0,0|0,0,2]=4 21146 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 21147 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 21148 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,1,0,1,0,0|1,0,1]=4 21149 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,1,0,1,0,0|1,0,1]=4 21150 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,1,0,1,0,0|0,0,2]=4 21151 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,1,0,1,0,0|0,0,2]=4 21152 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,1,0,1,0,0|1,0,1]=4 21153 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,1,0,1,0,0|1,0,1]=4 21154 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,1,0,1,0,0|1,0,1]=4 21155 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,1,0,1,0,0|1,0,1]=4 21156 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,1,0,1,0,0|0,0,2]=4 21157 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,1,0,1,0,0|0,0,2]=4 21158 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,1,0,1,0,0|0,0,2]=4 21159 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 21160 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 21161 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,1,0,1,0,0|0,0,2]=4 21162 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,1,0,1,0,0|0,0,2]=4 21163 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,1,0,1,0,0|1,0,1]=4 21164 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,1,0,1,0,0|1,0,1]=4 21165 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,1,0,1,0,0|1,0,1]=4 21166 B11R1.176 CC(Br)CCOCCC1CC1 34a_100009893172_100000694398 [0,1,0,1,0,0|1,0,0]=3 21167 B11R1.176 CC(Br)CCOCCC1CO1 34a_100009893172_100000732470 [0,1,0,1,0,0|1,0,0]=3 21168 B11R1.176 CC(Br)COCCCC1CO1 34a_100012180447_100000733510 [0,1,0,1,0,0|1,0,0]=3 21169 B11R1.176 CC(C)CCCCNC1CC1 34a_100000212008_100011216152 [0,1,0,1,0,0|1,0,0]=3 21170 B11R1.176 CC(C)CCCCOC1CC1 34a_100011214890_100000211595 [0,1,0,1,0,0|1,0,0]=3 21171 B11R1.176 CC(C)CCCCSC1CC1 62a_100011216152_100000211595 [0,1,0,1,0,0|1,0,0]=3 21172 B11R1.176 CC(C)CCCNCC1CC1 2230a_100000735609_100011214892 [0,1,0,1,0,0|1,0,0]=3 21173 B11R1.176 CC(C)CCCNCC1CC1 2230a_200000737386_100000742324 [0,1,0,1,0,0|1,0,0]=3 21174 B11R1.176 CC(C)CCCNCC1CC1 269862a_200000737386_100000741477 [0,1,0,1,0,0|1,0,0]=3 21175 B11R1.176 CC(C)CCCNCC1CC1 34a_100000735609_100011214892 [0,1,0,1,0,0|1,0,0]=3 21176 B11R1.176 CC(C)CCCNCC1CC1 34a_200000737386_100000742324 [0,1,0,1,0,0|1,0,0]=3 21177 B11R1.176 CC(C)CCCNCC1CO1 2230a_200000737386_100011216344 [0,1,0,1,0,0|1,0,0]=3 21178 B11R1.176 CC(C)CCCNCC1CO1 34a_200000737386_102125554688 [0,1,0,1,0,0|1,0,0]=3 21179 B11R1.176 CC(C)CCCOCC1CC1 34a_100000210774_100000742324 [0,1,0,1,0,0|1,0,0]=3 21180 B11R1.176 CC(C)CCCOCC1CC1 34a_100000211283_100011214892 [0,1,0,1,0,0|1,0,0]=3 21181 B11R1.176 CC(C)CCCOCC1CC1 7a_100000210774_100000742324 [0,1,0,1,0,0|1,0,0]=3 21182 B11R1.176 CC(C)CCCOCC1CO1 34a_100000210774_102125554688 [0,1,0,1,0,0|1,0,0]=3 21183 B11R1.176 CC(C)CCCOCC1CO1 7a_100000210774_102125554688 [0,1,0,1,0,0|1,0,0]=3 21184 B11R1.176 CC(C)CCCOCC1CS1 7a_100000210774_100000031435 [0,1,0,1,0,0|1,1,0]=4 21185 B11R1.176 CC(C)CCCOC[C@@H]1CO1 34a_100000757423_100011214892 [0,1,0,1,0,0|1,0,0]=3 21186 B11R1.176 CC(C)CCCOC[C@@H]1CO1 7a_100000210774_100000745022 [0,1,0,1,0,0|1,0,0]=3 21187 B11R1.176 CC(C)CCCSCC1CC1 62a_100000756562_100011214892 [0,1,0,1,0,0|1,0,0]=3 21188 B11R1.176 CC(C)CCCSCC1CC1 62a_100011214892_100000742324 [0,1,0,1,0,0|1,0,0]=3 21189 B11R1.176 CC(C)CCCSCC1CO1 62a_100011214892_102125554688 [0,1,0,1,0,0|1,0,0]=3 21190 B11R1.176 CC(C)CCCSCC1CO1 62a_102125554688_100011214892 [0,1,0,1,0,0|1,0,0]=3 21191 B11R1.176 CC(C)CCCSCC1CS1 62a_100000031435_100011214892 [0,1,0,1,0,0|1,1,0]=4 21192 B11R1.176 CC(C)CCCSCC1CS1 62a_100011214892_100000031435 [0,1,0,1,0,0|1,1,0]=4 21193 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100000745022_100011214892 [0,1,0,1,0,0|1,0,0]=3 21194 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100011214892_100000745022 [0,1,0,1,0,0|1,0,0]=3 21195 B11R1.176 CC(C)CCNCCC1CC1 269862a_100000764129_100000185833 [0,1,0,1,0,0|1,0,0]=3 21196 B11R1.176 CC(C)CCNCCC1CC1 34a_100000764129_100000210312 [0,1,0,1,0,0|1,0,0]=3 21197 B11R1.176 CC(C)CCOCCC1CC1 34a_100000210254_100000694398 [0,1,0,1,0,0|1,0,0]=3 21198 B11R1.176 CC(C)CCOCCC1CC1 34a_100000754188_100000210312 [0,1,0,1,0,0|1,0,0]=3 21199 B11R1.176 CC(C)CCOCCC1CC1 7a_100000210254_100000764125 [0,1,0,1,0,0|1,0,0]=3 21200 B11R1.176 CC(C)CCOCCC1CC1 7a_100000754188_100000210626 [0,1,0,1,0,0|1,0,0]=3 21201 B11R1.176 CC(C)CCOCCC1CO1 34a_100000210254_100000732470 [0,1,0,1,0,0|1,0,0]=3 21202 B11R1.176 CC(C)CCOCCC1CO1 7a_100000210254_100000732470 [0,1,0,1,0,0|1,0,0]=3 21203 B11R1.176 CC(C)CCOCC[C@@H]1CO1 34a_100009820653_100000210312 [0,1,0,1,0,0|1,0,0]=3 21204 B11R1.176 CC(C)CCSCCC1CC1 62a_100000210312_100000764125 [0,1,0,1,0,0|1,0,0]=3 21205 B11R1.176 CC(C)CCSCCC1CC1 62a_100000764125_100000210312 [0,1,0,1,0,0|1,0,0]=3 21206 B11R1.176 CC(C)CCSCCC1CO1 62a_100000210312_100000732470 [0,1,0,1,0,0|1,0,0]=3 21207 B11R1.176 CC(C)CCSCCC1CO1 62a_100000732470_100000210312 [0,1,0,1,0,0|1,0,0]=3 21208 B11R1.176 CC(C)CNCCCC1CO1 2230a_100000210953_100000733510 [0,1,0,1,0,0|1,0,0]=3 21209 B11R1.176 CC(C)CNCCCC1CO1 34a_100000210953_100000733510 [0,1,0,1,0,0|1,0,0]=3 21210 B11R1.176 CC(C)CNCCOC1CC1 34a_100015185251_100000211595 [0,1,0,1,0,0|2,0,0]=4 21211 B11R1.176 CC(C)COCCCC1CO1 34a_100000210257_100000733510 [0,1,0,1,0,0|1,0,0]=3 21212 B11R1.176 CC(C)COCCNC1CC1 34a_100000738766_100000210624 [0,1,0,1,0,0|2,0,0]=4 21213 B11R1.176 CC(C)COCCOC1CC1 34a_100000703358_100000211595 [0,1,0,1,0,0|2,0,0]=4 21214 B11R1.176 CC(C)CSCCCC1CO1 62a_100000210624_100000733510 [0,1,0,1,0,0|1,0,0]=3 21215 B11R1.176 CC(C)CSCCCC1CO1 62a_100000733510_100000210760 [0,1,0,1,0,0|1,0,0]=3 21216 B11R1.176 CC(C)CSCCOC1CC1 34a_200000230437_100000211595 [0,1,0,1,0,0|2,0,0]=4 21217 B11R1.176 CC(C)NCCCOC1CC1 34a_100000182298_100000211595 [0,1,0,1,0,0|2,0,0]=4 21218 B11R1.176 CC(C)NCCOCC1CC1 34a_100000224655_100000742324 [0,1,0,1,0,0|2,0,0]=4 21219 B11R1.176 CC(C)NCCOCC1CO1 34a_100000224655_102125554688 [0,1,0,1,0,0|2,0,0]=4 21220 B11R1.176 CC(C)OCCCNC1CC1 34a_100000737246_100000211595 [0,1,0,1,0,0|2,0,0]=4 21221 B11R1.176 CC(C)OCCNCC1CC1 2230a_100000701111_100000742324 [0,1,0,1,0,0|2,0,0]=4 21222 B11R1.176 CC(C)OCCNCC1CC1 2230a_100000735609_100000211751 [0,1,0,1,0,0|2,0,0]=4 21223 B11R1.176 CC(C)OCCNCC1CC1 269862a_100000701111_100000741477 [0,1,0,1,0,0|2,0,0]=4 21224 B11R1.176 CC(C)OCCNCC1CC1 34a_100000701111_100000742324 [0,1,0,1,0,0|2,0,0]=4 21225 B11R1.176 CC(C)OCCNCC1CC1 34a_100000735609_100000211751 [0,1,0,1,0,0|2,0,0]=4 21226 B11R1.176 CC(C)OCCNCC1CO1 2230a_100000701111_100011216344 [0,1,0,1,0,0|2,0,0]=4 21227 B11R1.176 CC(C)OCCNCC1CO1 34a_100000701111_102125554688 [0,1,0,1,0,0|2,0,0]=4 21228 B11R1.176 CC(C)OCCOCC1CC1 34a_100000211219_100000742324 [0,1,0,1,0,0|2,0,0]=4 21229 B11R1.176 CC(C)OCCOCC1CC1 34a_100000211283_100000211751 [0,1,0,1,0,0|2,0,0]=4 21230 B11R1.176 CC(C)OCCOCC1CC1 7a_100000211219_100000742324 [0,1,0,1,0,0|2,0,0]=4 21231 B11R1.176 CC(C)OCCOCC1CO1 34a_100000211219_102125554688 [0,1,0,1,0,0|2,0,0]=4 21232 B11R1.176 CC(C)OCCOCC1CO1 7a_100000211219_102125554688 [0,1,0,1,0,0|2,0,0]=4 21233 B11R1.176 CC(C)OCCOC[C@@H]1CO1 34a_100000757423_100000211751 [0,1,0,1,0,0|2,0,0]=4 21234 B11R1.176 CC(C)OCCOC[C@@H]1CO1 7a_100000211219_100000745022 [0,1,0,1,0,0|2,0,0]=4 21235 B11R1.176 CC(C)OCCSCC1CC1 62a_100000211751_100000742324 [0,1,0,1,0,0|2,0,0]=4 21236 B11R1.176 CC(C)OCCSCC1CC1 62a_100000756562_100000211751 [0,1,0,1,0,0|2,0,0]=4 21237 B11R1.176 CC(C)OCCSCC1CO1 62a_100000211751_102125554688 [0,1,0,1,0,0|2,0,0]=4 21238 B11R1.176 CC(C)OCCSCC1CO1 62a_102125554688_100000211751 [0,1,0,1,0,0|2,0,0]=4 21239 B11R1.176 CC(C)OCCSC[C@@H]1CO1 62a_100000211751_100000745022 [0,1,0,1,0,0|2,0,0]=4 21240 B11R1.176 CC(C)OCCSC[C@@H]1CO1 62a_100000745022_100000211751 [0,1,0,1,0,0|2,0,0]=4 21241 B11R1.176 CC(C)OCNCCC1CC1 34a_100000764129_100000709892 [0,1,0,1,0,0|2,0,0]=4 21242 B11R1.176 CC(C)OCOCCC1CC1 34a_100000754188_100000709892 [0,1,0,1,0,0|2,0,0]=4 21243 B11R1.176 CC(C)OCOCC[C@@H]1CO1 34a_100009820653_100000709892 [0,1,0,1,0,0|2,0,0]=4 21244 B11R1.176 CC(C)OCSCCC1CC1 62a_100000709892_100000764125 [0,1,0,1,0,0|2,0,0]=4 21245 B11R1.176 CC(C)OCSCCC1CC1 62a_100000764125_100000709892 [0,1,0,1,0,0|2,0,0]=4 21246 B11R1.176 CC(C)OCSCCC1CO1 62a_100000709892_100000732470 [0,1,0,1,0,0|2,0,0]=4 21247 B11R1.176 CC(C)OCSCCC1CO1 62a_100000732470_100000709892 [0,1,0,1,0,0|2,0,0]=4 21248 B11R1.176 CC(C)SCCNCC1CC1 2230a_100000731138_100000742324 [0,1,0,1,0,0|2,0,0]=4 21249 B11R1.176 CC(C)SCCNCC1CC1 2230a_100000735609_100000730970 [0,1,0,1,0,0|2,0,0]=4 21250 B11R1.176 CC(C)SCCNCC1CC1 269862a_100000731138_100000741477 [0,1,0,1,0,0|2,0,0]=4 21251 B11R1.176 CC(C)SCCNCC1CC1 34a_100000731138_100000742324 [0,1,0,1,0,0|2,0,0]=4 21252 B11R1.176 CC(C)SCCNCC1CC1 34a_100000735609_100000730970 [0,1,0,1,0,0|2,0,0]=4 21253 B11R1.176 CC(C)SCCNCC1CO1 2230a_100000731138_100011216344 [0,1,0,1,0,0|2,0,0]=4 21254 B11R1.176 CC(C)SCCNCC1CO1 34a_100000731138_102125554688 [0,1,0,1,0,0|2,0,0]=4 21255 B11R1.176 CC(C)SCCOCC1CC1 34a_100000211283_100000730970 [0,1,0,1,0,0|2,0,0]=4 21256 B11R1.176 CC(C)SCCOCC1CC1 34a_200011212901_100000742324 [0,1,0,1,0,0|2,0,0]=4 21257 B11R1.176 CC(C)SCCOCC1CC1 7a_200011212901_100000742324 [0,1,0,1,0,0|2,0,0]=4 21258 B11R1.176 CC(C)SCCOCC1CO1 34a_200011212901_102125554688 [0,1,0,1,0,0|2,0,0]=4 21259 B11R1.176 CC(C)SCCOCC1CO1 7a_200011212901_102125554688 [0,1,0,1,0,0|2,0,0]=4 21260 B11R1.176 CC(C)SCCOC[C@@H]1CO1 34a_100000757423_100000730970 [0,1,0,1,0,0|2,0,0]=4 21261 B11R1.176 CC(C)SCCOC[C@@H]1CO1 7a_200011212901_100000745022 [0,1,0,1,0,0|2,0,0]=4 21262 B11R1.176 CC(C)SCCSCC1CC1 62a_100000730970_100000742324 [0,1,0,1,0,0|2,0,0]=4 21263 B11R1.176 CC(C)SCCSCC1CC1 62a_100000756562_100000730970 [0,1,0,1,0,0|2,0,0]=4 21264 B11R1.176 CC(C)SCCSCC1CO1 62a_100000730970_102125554688 [0,1,0,1,0,0|2,0,0]=4 21265 B11R1.176 CC(C)SCCSCC1CO1 62a_102125554688_100000730970 [0,1,0,1,0,0|2,0,0]=4 21266 B11R1.176 CC(C)SCCSC[C@@H]1CO1 62a_100000730970_100000745022 [0,1,0,1,0,0|2,0,0]=4 21267 B11R1.176 CC(C)SCCSC[C@@H]1CO1 62a_100000745022_100000730970 [0,1,0,1,0,0|2,0,0]=4 21268 B11R1.176 CC(F)COCCCC1CO1 34a_100015925927_100000733510 [0,1,0,1,0,0|1,0,0]=3 21269 B11R1.176 CC(O)CCCNCC1CC1 2230a_100000735609_200000718107 [0,1,0,1,0,0|0,0,0]=2 21270 B11R1.176 CC(O)CCCNCC1CC1 34a_100000735609_200000718107 [0,1,0,1,0,0|0,0,0]=2 21271 B11R1.176 CC(O)CCCOCC1CC1 34a_100000211283_200000718107 [0,1,0,1,0,0|0,0,0]=2 21272 B11R1.176 CC(O)CCCOC[C@@H]1CO1 34a_100000757423_200000718107 [0,1,0,1,0,0|1,0,0]=3 21273 B11R1.176 CC(O)CCCSCC1CC1 62a_100000756562_200000718107 [0,1,0,1,0,0|0,0,0]=2 21274 B11R1.176 CC(O)CCCSCC1CC1 62a_200000718107_100000742324 [0,1,0,1,0,0|0,0,0]=2 21275 B11R1.176 CC(O)CCCSCC1CO1 62a_102125554688_200000718107 [0,1,0,1,0,0|1,0,0]=3 21276 B11R1.176 CC(O)CCCSCC1CO1 62a_200000718107_102125554688 [0,1,0,1,0,0|1,0,0]=3 21277 B11R1.176 CC(O)CCCSCC1CS1 62a_100000031435_200000718107 [0,1,0,1,0,0|1,0,0]=3 21278 B11R1.176 CC(O)CCCSCC1CS1 62a_200000718107_100000031435 [0,1,0,1,0,0|1,0,0]=3 21279 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_100000745022_200000718107 [0,1,0,1,0,0|1,0,0]=3 21280 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_200000718107_100000745022 [0,1,0,1,0,0|1,0,0]=3 21281 B11R1.176 CC(O)CCNCCC1CC1 2230a_200000755665_100000694398 [0,1,0,1,0,0|0,0,0]=2 21282 B11R1.176 CC(O)CCNCCC1CC1 34a_100000764129_100012276601 [0,1,0,1,0,0|0,0,0]=2 21283 B11R1.176 CC(O)CCNCCC1CO1 2230a_200000755665_100000732470 [0,1,0,1,0,0|1,0,0]=3 21284 B11R1.176 CC(O)CCOCCC1CC1 34a_100000754188_100012276601 [0,1,0,1,0,0|0,0,0]=2 21285 B11R1.176 CC(O)CCOCCC1CC1 7a_100000754188_100012276601 [0,1,0,1,0,0|0,0,0]=2 21286 B11R1.176 CC(O)CCOCC[C@@H]1CO1 34a_100009820653_100012276601 [0,1,0,1,0,0|1,0,0]=3 21287 B11R1.176 CC(O)CCSCCC1CC1 62a_100000764125_100012276601 [0,1,0,1,0,0|0,0,0]=2 21288 B11R1.176 CC(O)CCSCCC1CC1 62a_100012276601_100000764125 [0,1,0,1,0,0|0,0,0]=2 21289 B11R1.176 CC(O)CCSCCC1CO1 62a_100000732470_100012276601 [0,1,0,1,0,0|1,0,0]=3 21290 B11R1.176 CC(O)CCSCCC1CO1 62a_100012276601_100000732470 [0,1,0,1,0,0|1,0,0]=3 21291 B11R1.176 CC(O)CNCC#CC1CC1 2230a_100000210904_100009895102 [0,1,0,1,0,0|0,0,2]=4 21292 B11R1.176 CC(O)CNCC#CC1CC1 34a_100000210904_100009895102 [0,1,0,1,0,0|0,0,2]=4 21293 B11R1.176 CC(O)CNCCCC1CO1 2230a_100000210904_100000733510 [0,1,0,1,0,0|1,0,0]=3 21294 B11R1.176 CC(O)CNCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|1,0,0]=3 21295 B11R1.176 CC(O)COCC#CC1CC1 34a_100000083941_100011218427 [0,1,0,1,0,0|0,0,2]=4 21296 B11R1.176 CC(O)COCC#CC1CC1 7a_100000083941_100011218427 [0,1,0,1,0,0|0,0,2]=4 21297 B11R1.176 CC(O)COCCNC1CC1 34a_100000738766_100011218427 [0,1,0,1,0,0|1,0,0]=3 21298 B11R1.176 CC(O)CSCC#CC1CC1 62a_100009895102_100011218427 [0,1,0,1,0,0|0,0,2]=4 21299 B11R1.176 CC(O)CSCC#CC1CC1 62a_100011218427_100009895102 [0,1,0,1,0,0|0,0,2]=4 21300 B11R1.176 CC(O)CSCCCC1CO1 62a_100000733510_100011218427 [0,1,0,1,0,0|1,0,0]=3 21301 B11R1.176 CC(O)CSCCCC1CO1 62a_100011218427_100000733510 [0,1,0,1,0,0|1,0,0]=3 21302 B11R1.176 CN(C)CCCNCC1CC1 269862a_102531767803_100000741477 [0,1,0,1,0,0|2,0,0]=4 21303 B11R1.176 CN(C)CCCSCC1CC1 62a_100000756562_100000757444 [0,1,0,1,0,0|2,0,0]=4 21304 B11R1.176 CN(C)CCCSCC1CO1 62a_102125554688_100000757444 [0,1,0,1,0,0|2,0,0]=4 21305 B11R1.176 CN(C)CCCSC[C@@H]1CO1 62a_100000745022_100000757444 [0,1,0,1,0,0|2,0,0]=4 21306 B11R1.176 CN(C)CCOCCC1CC1 7a_100000754188_100000755713 [0,1,0,1,0,0|2,0,0]=4 21307 B11R1.176 CN(C)CCSCCC1CC1 62a_100000764125_100000755713 [0,1,0,1,0,0|2,0,0]=4 21308 B11R1.176 CN(C)CCSCCC1CO1 62a_100000732470_100000755713 [0,1,0,1,0,0|2,0,0]=4 21309 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [0,1,0,1,0,0|1,0,1]=4 21310 B11R1.176 CS(=O)CCCNCC1CO1 2230a_200000753449_100011216344 [0,1,0,1,0,0|2,0,0]=4 21311 B11R1.176 C[C@@H](Cl)COCCCC1CO1 34a_100016084084_100000733510 [0,1,0,1,0,0|1,0,0]=3 21312 B11R1.176 C[C@@H](N)CCOCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|1,0,0]=3 21313 B11R1.176 C[C@@H](N)CCOCCC1CO1 34a_100000706166_100000732470 [0,1,0,1,0,0|1,0,0]=3 21314 B11R1.176 C[C@@H](N)COCCCC1CO1 34a_100000737577_100000733510 [0,1,0,1,0,0|1,0,0]=3 21315 B11R1.176 C[C@@H](O)COCC#CC1CC1 34a_100000083941_100009817552 [0,1,0,1,0,0|0,0,2]=4 21316 B11R1.176 C[C@@H](O)COCC#CC1CC1 7a_100000083941_100009817552 [0,1,0,1,0,0|0,0,2]=4 21317 B11R1.176 C[C@@H](O)COCCNC1CC1 34a_100000738766_100009817552 [0,1,0,1,0,0|1,0,0]=3 21318 B11R1.176 C[C@@H](O)CSCC#CC1CC1 62a_100009817552_100009895102 [0,1,0,1,0,0|0,0,2]=4 21319 B11R1.176 C[C@@H](O)CSCC#CC1CC1 62a_100009895102_100009817552 [0,1,0,1,0,0|0,0,2]=4 21320 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100000733510_100009817552 [0,1,0,1,0,0|1,0,0]=3 21321 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100009817552_100000733510 [0,1,0,1,0,0|1,0,0]=3 21322 B11R1.176 FC(F)CCOCCC1CC1 34a_100103093639_100000694398 [0,1,0,1,0,0|2,0,0]=4 21323 B11R1.176 FC(F)CCOCCC1CO1 34a_100103093639_100000732470 [0,1,0,1,0,0|2,0,0]=4 21324 B11R1.176 FC(F)CNCCCC1CO1 34a_100000765723_100000733510 [0,1,0,1,0,0|2,0,0]=4 21325 B11R1.176 FC(F)COCCCC1CO1 34a_100000743014_100000733510 [0,1,0,1,0,0|2,0,0]=4 21326 B11R1.176 FC(F)CSCCCC1CO1 62a_100000733510_100011934356 [0,1,0,1,0,0|2,0,0]=4 21327 B11R1.176 FC(F)CSCCCC1CO1 62a_100011934356_100000733510 [0,1,0,1,0,0|2,0,0]=4 21328 B11R1.176 OB(O)CCCCNC1CC1 34a_100000212008_200009817182 [0,1,0,1,0,0|2,0,0]=4 21329 B11R1.176 OB(O)CCCCSC1CC1 62a_200009817182_100000211595 [0,1,0,1,0,0|2,0,0]=4 21330 B11R1.191 CCCN1CCOCC1(C)C 2230a_100000724681_100000210303 [0,1,0,1,0,0|2,0,0]=4 21331 B11R1.191 CCCN1CCOCC1(C)C 269982a_100000724681_100000210303 [0,1,0,1,0,0|2,0,0]=4 21332 B11R1.191 CCCN1CCOCC1(C)C 34a_100000724681_100000210303 [0,1,0,1,0,0|2,0,0]=4 21333 B11R1.191 CCNC1CCCCC1(C)C 269862a_100015525214_100000031690 [0,1,0,1,0,0|1,0,0]=3 21334 B11R1.191 CCNC1CCCCC1(F)F 2230a_100000686509_100000210202 [0,1,0,1,0,0|2,0,0]=4 21335 B11R1.191 CCNC1CCCCC1(F)F 34a_100000686509_100000210202 [0,1,0,1,0,0|2,0,0]=4 21336 B11R1.191 CCNC1CCNCC1(C)C 269862a_100015525214_100015191249 [0,1,0,1,0,0|2,0,0]=4 21337 B11R1.191 CCOC1CCCCC1(F)F 34a_100121572206_200009832135 [0,1,0,1,0,0|2,0,0]=4 21338 B11R1.191 CCOC1CCNCC1(C)C 34a_100000709803_100000210202 [0,1,0,1,0,0|2,0,0]=4 21339 B11R1.191 CCSC1CCCCC1(F)F 62a_100000210202_200009832135 [0,1,0,1,0,0|2,0,0]=4 21340 B11R1.191 CCSC1CCCCC1(F)F 62a_200009832135_100000210202 [0,1,0,1,0,0|2,0,0]=4 21341 B11R1.193 CC(C)C1CCCN1CCF 2230a_100000762757_100011217306 [0,1,0,1,0,0|2,0,0]=4 21342 B11R1.193 CC(C)C1CCCN1CCF 269982a_100000762757_100011217306 [0,1,0,1,0,0|2,0,0]=4 21343 B11R1.193 CC(C)C1CCCN1CCF 34a_100000762757_100011217306 [0,1,0,1,0,0|2,0,0]=4 21344 B11R1.193 CC(C)C1CCCN1CCO 2230a_100000762757_100000211926 [0,1,0,1,0,0|2,0,0]=4 21345 B11R1.193 CC(C)C1CCCN1CCO 269982a_100000762757_100000211926 [0,1,0,1,0,0|2,0,0]=4 21346 B11R1.193 CC(C)C1CCCN1CCO 34a_100000762757_100000211926 [0,1,0,1,0,0|2,0,0]=4 21347 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,1,0,1,0,0|2,0,0]=4 21348 B11R1.193 CCCN1CCCC1C(C)C 2230a_100000762757_100000210303 [0,1,0,1,0,0|1,0,0]=3 21349 B11R1.193 CCCN1CCCC1C(C)C 269982a_100000762757_100000210303 [0,1,0,1,0,0|1,0,0]=3 21350 B11R1.193 CCCN1CCCC1C(C)C 34a_100000762757_100000210303 [0,1,0,1,0,0|1,0,0]=3 21351 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|1,0,1]=4 21352 B11R1.193 COCN1CCCC1C(C)C 2230a_100000762757_100000766300 [0,1,0,1,0,0|2,0,0]=4 21353 B11R1.193 COCN1CCCC1C(C)C 269982a_100000762757_100000766300 [0,1,0,1,0,0|2,0,0]=4 21354 B11R1.193 COC[C@@H]1CCCN1C(C)C 2230a_100020646714_100000210206 [0,1,0,1,0,0|2,0,0]=4 21355 B11R1.193 COC[C@@H]1CCCN1C(C)C 269982a_100020646714_100000210206 [0,1,0,1,0,0|2,0,0]=4 21356 B11R1.193 COC[C@@H]1CCCN1C(C)C 34a_100020646714_100000210206 [0,1,0,1,0,0|2,0,0]=4 21357 B11R1.193 CSCN1CCCC1C(C)C 2230a_100000762757_100011218213 [0,1,0,1,0,0|2,0,0]=4 21358 B11R1.193 CSCN1CCCC1C(C)C 269982a_100000762757_100011218213 [0,1,0,1,0,0|2,0,0]=4 21359 B11R1.193 CSCN1CCCC1C(C)C 34a_100000762757_100011218213 [0,1,0,1,0,0|2,0,0]=4 21360 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|1,0,1]=4 21361 B11R1.233 C#CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000038162 [0,1,0,1,0,0|0,0,2]=4 21362 B11R1.233 C#CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000184674 [0,1,0,1,0,0|0,0,2]=4 21363 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210623 [0,1,0,1,0,0|0,0,2]=4 21364 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100015514636 [0,1,0,1,0,0|0,0,2]=4 21365 B11R1.233 CC1(CCCC1NCCF)C 269862a_100000724931_100000065263 [0,1,0,1,0,0|2,0,0]=4 21366 B11R1.233 CC1(CCCC1NCCO)C 269862a_100000210304_100000065263 [0,1,0,1,0,0|2,0,0]=4 21367 B11R1.233 CC1(CCCC1OCCF)C 34a_100000726220_100011217306 [0,1,0,1,0,0|2,0,0]=4 21368 B11R1.233 CC1(CCCC1OCCF)C 7a_100000726220_100011217306 [0,1,0,1,0,0|2,0,0]=4 21369 B11R1.233 CC1(CCCC1OCCO)C 34a_100000726220_100000211926 [0,1,0,1,0,0|2,0,0]=4 21370 B11R1.233 CC1(CCCC1OCCO)C 7a_100000726220_100000211926 [0,1,0,1,0,0|2,0,0]=4 21371 B11R1.233 CC1(CCCN1CCCF)C 2230a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 21372 B11R1.233 CC1(CCCN1CCCF)C 269982a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 21373 B11R1.233 CC1(CCCN1CCCF)C 34a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 21374 B11R1.233 CC1(CCCN1CCCO)C 2230a_100000761399_100000230001 [0,1,0,1,0,0|2,0,0]=4 21375 B11R1.233 CC1(CCCN1CCCO)C 269982a_100000761399_100011215043 [0,1,0,1,0,0|2,0,0]=4 21376 B11R1.233 CC1(CCCN1CCCO)C 34a_100000761399_100000230001 [0,1,0,1,0,0|2,0,0]=4 21377 B11R1.233 CC1(CCCN1CCN[13CH3])C 2230a_100015204988_200025704644 [0,1,0,1,0,0|2,0,0]=4 21378 B11R1.233 CCCCN1CCCC1(C)C 2230a_100000761399_100000210211 [0,1,0,1,0,0|1,0,0]=3 21379 B11R1.233 CCCCN1CCCC1(C)C 269982a_100000761399_100000210211 [0,1,0,1,0,0|1,0,0]=3 21380 B11R1.233 CCCCN1CCCC1(C)C 34a_100000761399_100000210210 [0,1,0,1,0,0|1,0,0]=3 21381 B11R1.233 CCCCN1CCSC1(C)C 2230a_100011217261_100000210211 [0,1,0,1,0,0|2,0,0]=4 21382 B11R1.233 CCCCN1CCSC1(C)C 269982a_100011217261_100000210211 [0,1,0,1,0,0|2,0,0]=4 21383 B11R1.233 CCCCN1CCSC1(C)C 34a_100011217261_100000210210 [0,1,0,1,0,0|2,0,0]=4 21384 B11R1.233 CCCCN1COCC1(C)C 2230a_100000043020_100000210211 [0,1,0,1,0,0|2,0,0]=4 21385 B11R1.233 CCCCN1COCC1(C)C 269982a_100000043020_100000210211 [0,1,0,1,0,0|2,0,0]=4 21386 B11R1.233 CCCNC1CCCC1(C)C 269862a_100020643023_100000065263 [0,1,0,1,0,0|1,0,0]=3 21387 B11R1.233 CCCNC1CCCC1(F)F 2230a_100000767123_100000210303 [0,1,0,1,0,0|2,0,0]=4 21388 B11R1.233 CCCNC1CCCC1(F)F 34a_100000767123_100000210303 [0,1,0,1,0,0|2,0,0]=4 21389 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,1,0,1,0,0|0,0,0]=2 21390 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,1,0,1,0,0|0,0,0]=2 21391 B11R1.233 CCCOC1CCCC1(C)C 34a_100000726220_100000210303 [0,1,0,1,0,0|1,0,0]=3 21392 B11R1.233 CCCOC1CCCC1(C)C 7a_100000726220_100000210303 [0,1,0,1,0,0|1,0,0]=3 21393 B11R1.233 CCCOC1CCCC1(F)F 34a_100000210258_100119073726 [0,1,0,1,0,0|2,0,0]=4 21394 B11R1.233 CCCSC1CCCC1(F)F 62a_100000210303_100119073726 [0,1,0,1,0,0|2,0,0]=4 21395 B11R1.233 CCCSC1CCCC1(F)F 62a_100119073726_100000210303 [0,1,0,1,0,0|2,0,0]=4 21396 B11R1.233 CCOCN1CCCC1(C)C 269982a_100000761399_100000739092 [0,1,0,1,0,0|2,0,0]=4 21397 B11R1.233 CNCCN1CCCC1(C)C 2230a_100015204988_200000210301 [0,1,0,1,0,0|2,0,0]=4 21398 B11R1.233 COCCN1CCCC1(C)C 2230a_100000761399_100011201679 [0,1,0,1,0,0|2,0,0]=4 21399 B11R1.233 COCCN1CCCC1(C)C 269982a_100000761399_100000233755 [0,1,0,1,0,0|2,0,0]=4 21400 B11R1.233 COCCN1CCCC1(C)C 34a_100000761399_100011201679 [0,1,0,1,0,0|2,0,0]=4 21401 B11R1.233 COCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000766300 [0,1,0,1,0,0|1,0,0]=3 21402 B11R1.233 CSCCN1CCCC1(C)C 2230a_100000761399_100000751147 [0,1,0,1,0,0|2,0,0]=4 21403 B11R1.233 CSCCN1CCCC1(C)C 269982a_100000761399_100000212216 [0,1,0,1,0,0|2,0,0]=4 21404 B11R1.233 CSCCN1CCCC1(C)C 34a_100000761399_100000212216 [0,1,0,1,0,0|2,0,0]=4 21405 B11R1.233 CSCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011218213 [0,1,0,1,0,0|1,0,0]=3 21406 B11R1.233 CSCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011218213 [0,1,0,1,0,0|1,0,0]=3 21407 B11R1.233 CSCOC1CCCC1(C)C 34a_100000726220_100011218213 [0,1,0,1,0,0|2,0,0]=4 21408 B11R1.233 C[C@]1(CCC[C@H]1NCC#N)O 2230a_100015977457_100011215382 [0,1,0,1,0,0|1,0,1]=4 21409 B11R1.233 C[C@]1(CCC[C@H]1NCC=O)O 2230a_100015977457_200015260668 [0,1,0,1,0,0|1,0,1]=4 21410 B11R1.233 C[C@]1(CCC[C@H]1NCC=O)O 34a_100015977457_200009817547 [0,1,0,1,0,0|1,0,1]=4 21411 B11R1.233 C[C@]1(CCC[C@H]1NCCF)O 2230a_100015977457_100011217306 [0,1,0,1,0,0|1,0,0]=3 21412 B11R1.233 C[C@]1(CCC[C@H]1NCCF)O 34a_100015977457_100011217306 [0,1,0,1,0,0|1,0,0]=3 21413 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 2230a_100015977457_100000211926 [0,1,0,1,0,0|1,0,0]=3 21414 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 34a_100015977457_100000211926 [0,1,0,1,0,0|1,0,0]=3 21415 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|0,0,2]=4 21416 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|0,0,2]=4 21417 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|0,0,2]=4 21418 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|0,0,2]=4 21419 B11R1.706 CC(C)N1CCCCCCC1 2230a_100000211400_100000210206 [0,1,0,1,0,0|1,0,0]=3 21420 B11R1.706 CC(C)N1CCCCCCC1 269982a_100000211400_100000210206 [0,1,0,1,0,0|1,0,0]=3 21421 B11R1.706 CC(C)N1CCCCCCC1 34a_100000211400_100000210206 [0,1,0,1,0,0|1,0,0]=3 21422 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,1,0,1,0,0|2,0,0]=4 21423 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [0,1,0,1,0,0|1,0,1]=4 21424 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [0,1,0,1,0,0|1,0,1]=4 21425 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [0,1,0,1,0,0|1,0,1]=4 21426 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|0,0,2]=4 21427 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|0,0,2]=4 21428 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,1,0,0|0,0,2]=4 21429 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,1,0,0|0,0,2]=4 21430 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,1,0,0|0,0,2]=4 21431 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,1,0,0|0,0,2]=4 21432 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,1,0,0|0,0,2]=4 21433 B11R1.742 CC(C)CN1CCCCCC1 2230a_100000185865_100000210760 [0,1,0,1,0,0|1,0,0]=3 21434 B11R1.742 CC(C)CN1CCCCCC1 269982a_100000185865_100000210624 [0,1,0,1,0,0|1,0,0]=3 21435 B11R1.742 CC(C)CN1CCCCCC1 270004a_100000185865_100000210432 [0,1,0,1,0,0|1,0,0]=3 21436 B11R1.742 CC(C)CN1CCCCCC1 34a_100000185865_100000210624 [0,1,0,1,0,0|1,0,0]=3 21437 B11R1.742 CC(C)CN1CCCOCC1 2230a_100000685342_100000210760 [0,1,0,1,0,0|2,0,0]=4 21438 B11R1.742 CC(C)CN1CCCOCC1 269982a_100000685342_100000210624 [0,1,0,1,0,0|2,0,0]=4 21439 B11R1.742 CC(C)CN1CCCOCC1 270004a_100000685342_100000210432 [0,1,0,1,0,0|2,0,0]=4 21440 B11R1.742 CC(C)CN1CCCOCC1 34a_100000685342_100000210624 [0,1,0,1,0,0|2,0,0]=4 21441 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,1,0,1,0,0|1,0,0]=3 21442 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,1,0,1,0,0|1,0,0]=3 21443 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,1,0,1,0,0|1,0,0]=3 21444 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,1,0,1,0,0|1,0,0]=3 21445 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,1,0,1,0,0|1,0,0]=3 21446 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,1,0,1,0,0|1,0,0]=3 21447 B11R1.742 CC(C)SC1CCCCCC1 62a_100000210206_100011217769 [0,1,0,1,0,0|1,0,0]=3 21448 B11R1.742 CC(C)SC1CCCCCC1 62a_100011217769_100000210206 [0,1,0,1,0,0|1,0,0]=3 21449 B11R1.742 CC(O)CN1CCCCCC1 2230a_100000185865_100011218427 [0,1,0,1,0,0|0,0,0]=2 21450 B11R1.742 CC(O)CN1CCCCCC1 269982a_100000185865_100011218427 [0,1,0,1,0,0|0,0,0]=2 21451 B11R1.742 CC(O)CN1CCCCCC1 34a_100000185865_100011218427 [0,1,0,1,0,0|0,0,0]=2 21452 B11R1.742 CC(O)CN1CCCOCC1 2230a_100000685342_100011218427 [0,1,0,1,0,0|1,0,0]=3 21453 B11R1.742 CC(O)CN1CCCOCC1 269982a_100000685342_100011218427 [0,1,0,1,0,0|1,0,0]=3 21454 B11R1.742 CC(O)CN1CCCOCC1 34a_100000685342_100011218427 [0,1,0,1,0,0|1,0,0]=3 21455 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 21456 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 21457 B11R1.742 C[C@@H](O)CN1CCCCCC1 2230a_100000185865_100009817552 [0,1,0,1,0,0|0,0,0]=2 21458 B11R1.742 C[C@@H](O)CN1CCCCCC1 269982a_100000185865_100009817552 [0,1,0,1,0,0|0,0,0]=2 21459 B11R1.742 C[C@@H](O)CN1CCCCCC1 34a_100000185865_100009817552 [0,1,0,1,0,0|0,0,0]=2 21460 B11R1.742 C[C@@H](O)CN1CCCOCC1 2230a_100000685342_100009817552 [0,1,0,1,0,0|1,0,0]=3 21461 B11R1.742 C[C@@H](O)CN1CCCOCC1 269982a_100000685342_100009817552 [0,1,0,1,0,0|1,0,0]=3 21462 B11R1.742 C[C@@H](O)CN1CCCOCC1 34a_100000685342_100009817552 [0,1,0,1,0,0|1,0,0]=3 21463 B11R1.742 FC(F)CN1CCCCCC1 2230a_100000185865_100011934356 [0,1,0,1,0,0|2,0,0]=4 21464 B11R1.742 FC(F)CN1CCCCCC1 269982a_100000185865_100011934356 [0,1,0,1,0,0|2,0,0]=4 21465 B11R1.742 FC(F)CN1CCCCCC1 34a_100000185865_100011934356 [0,1,0,1,0,0|2,0,0]=4 21466 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|0,0,2]=4 21467 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,1,0,0|0,0,2]=4 21468 B11R1.898 CC1(CC1COCCCF)C 34a_100000728257_100011934791 [0,1,0,1,0,0|2,0,0]=4 21469 B11R1.898 CC1(CC1COCCCF)C 7a_100000728257_100011934791 [0,1,0,1,0,0|2,0,0]=4 21470 B11R1.898 CC1(CC1COCCCO)C 34a_100000728257_100000230001 [0,1,0,1,0,0|2,0,0]=4 21471 B11R1.898 CC1(CC1COCCCO)C 7a_100000728257_100011215043 [0,1,0,1,0,0|2,0,0]=4 21472 B11R1.898 CC1(OC1COCCCF)C 34a_200010283642_100011934791 [0,1,0,1,0,0|2,0,0]=4 21473 B11R1.898 CC1(OC1COCCCF)C 7a_200010283642_100011934791 [0,1,0,1,0,0|2,0,0]=4 21474 B11R1.898 CC1(OC1COCCCO)C 34a_200010283642_100000230001 [0,1,0,1,0,0|2,0,0]=4 21475 B11R1.898 CC1(OC1COCCCO)C 7a_200010283642_100011215043 [0,1,0,1,0,0|2,0,0]=4 21476 B11R1.898 CCCCCNC1CC1(F)F 2230a_100020610826_100000210326 [0,1,0,1,0,0|2,0,0]=4 21477 B11R1.898 CCCCCNC1CC1(F)F 34a_100020610826_100000718602 [0,1,0,1,0,0|2,0,0]=4 21478 B11R1.898 CCCCNCC1CC1(F)F 2230a_100000102301_100009817841 [0,1,0,1,0,0|2,0,0]=4 21479 B11R1.898 CCCCNCC1CC1(F)F 7a_106832991798_100009817841 [0,1,0,1,0,0|2,0,0]=4 21480 B11R1.898 CCCCOCC1CC1(C)C 34a_100000728257_100000210210 [0,1,0,1,0,0|1,0,0]=3 21481 B11R1.898 CCCCOCC1CC1(C)C 7a_100000728257_100000210211 [0,1,0,1,0,0|1,0,0]=3 21482 B11R1.898 CCCCOCC1CC1(F)F 34a_100000056500_100000210210 [0,1,0,1,0,0|2,0,0]=4 21483 B11R1.898 CCCCOCC1CC1(F)F 34a_100000210227_100009817841 [0,1,0,1,0,0|2,0,0]=4 21484 B11R1.898 CCCCOCC1CC1(F)F 7a_100000056500_100000210211 [0,1,0,1,0,0|2,0,0]=4 21485 B11R1.898 CCCCOCC1CC1(F)F 7a_100000210227_100009817841 [0,1,0,1,0,0|2,0,0]=4 21486 B11R1.898 CCCCOCC1OC1(C)C 34a_200010283642_100000210210 [0,1,0,1,0,0|1,0,0]=3 21487 B11R1.898 CCCCOCC1OC1(C)C 7a_200010283642_100000210211 [0,1,0,1,0,0|1,0,0]=3 21488 B11R1.898 CCCCSCC1CC1(F)F 62a_100000210211_100009817841 [0,1,0,1,0,0|2,0,0]=4 21489 B11R1.898 CCCCSCC1CC1(F)F 62a_100009817841_100000210210 [0,1,0,1,0,0|2,0,0]=4 21490 B11R1.898 CCCOCCC1CC1(F)F 34a_100009864177_100000210303 [0,1,0,1,0,0|2,0,0]=4 21491 B11R1.898 CCCOCCC1CC1(F)F 7a_100009864177_100000210303 [0,1,0,1,0,0|2,0,0]=4 21492 B11R1.898 COCCOCC1CC1(C)C 34a_100000728257_100011201679 [0,1,0,1,0,0|2,0,0]=4 21493 B11R1.898 COCCOCC1CC1(C)C 7a_100000728257_100000233755 [0,1,0,1,0,0|2,0,0]=4 21494 B11R1.898 COCCOCC1OC1(C)C 34a_200010283642_100011201679 [0,1,0,1,0,0|2,0,0]=4 21495 B11R1.898 COCCOCC1OC1(C)C 7a_200010283642_100000233755 [0,1,0,1,0,0|2,0,0]=4 21496 B11R1.898 CSCCOCC1CC1(C)C 34a_100000728257_100000212216 [0,1,0,1,0,0|2,0,0]=4 21497 B11R1.898 CSCCOCC1CC1(C)C 7a_100000728257_100000212216 [0,1,0,1,0,0|2,0,0]=4 21498 B11R1.898 CSCCOCC1OC1(C)C 34a_200010283642_100000212216 [0,1,0,1,0,0|2,0,0]=4 21499 B11R1.898 CSCCOCC1OC1(C)C 7a_200010283642_100000212216 [0,1,0,1,0,0|2,0,0]=4 21500 B11R1.34 CCCN1CC(CC(C1)C)C 2230a_100000210448_100000210303 [0,1,0,1,0,0|2,0,0]=4 21501 B11R1.34 CCCN1CC(CC(C1)C)C 269982a_100000210448_100000210303 [0,1,0,1,0,0|2,0,0]=4 21502 B11R1.34 CCCN1CC(CC(C1)C)C 34a_100000210448_100000210303 [0,1,0,1,0,0|2,0,0]=4 21503 B11R1.34 CCNC1CC(CC(C1)C)C 270004a_100015525214_100000753413 [0,1,0,1,0,0|2,0,0]=4 21504 B11R1.38 CCN1CCC(CC1(C)C)O 2230a_100102422732_100000210202 [0,1,0,1,0,0|2,0,0]=4 21505 B11R1.38 CCN1CCC(CC1(C)C)O 269982a_100102422732_100000204670 [0,1,0,1,0,0|2,0,0]=4 21506 B11R1.43 CC(O)CN1CCC(C1)CO 2230a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 21507 B11R1.43 CC(O)CN1CCC(C1)CO 269982a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 21508 B11R1.43 CC(O)CN1CCC(C1)CO 34a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 21509 B11R1.43 CO[C@@H]1CCN(C1)CC(C)O 2230a_100000766984_100011218427 [0,1,0,1,0,0|2,0,0]=4 21510 B11R1.43 CO[C@@H]1CCN(C1)CC(C)O 269982a_100000766984_100011218427 [0,1,0,1,0,0|2,0,0]=4 21511 B11R1.43 CO[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100000766984_100009817552 [0,1,0,1,0,0|2,0,0]=4 21512 B11R1.43 CO[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100000766984_100009817552 [0,1,0,1,0,0|2,0,0]=4 21513 B11R1.43 C[C@@H](O)CN1CCC(C1)CO 2230a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 21514 B11R1.43 C[C@@H](O)CN1CCC(C1)CO 269982a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 21515 B11R1.43 C[C@@H](O)CN1CCC(C1)CO 34a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 21516 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,1,0,1,0,0|1,0,1]=4 21517 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,1,0,1,0,0|1,0,1]=4 21518 B11R1.77 CC(C)CC(C)N1CCCC1 2230a_100000188435_100000731052 [0,1,0,1,0,0|2,0,0]=4 21519 B11R1.77 CC(C)CC(C)N1CCCC1 269982a_100000188435_100000731052 [0,1,0,1,0,0|2,0,0]=4 21520 B11R1.77 CC(C)CN(C)C1CCCC1 2230a_100000207505_100000210760 [0,1,0,1,0,0|2,0,0]=4 21521 B11R1.77 CC(C)CN(C)C1CCCC1 2230a_100000747067_100000179811 [0,1,0,1,0,0|2,0,0]=4 21522 B11R1.77 CC(C)CN(C)C1CCCC1 269982a_100000207505_100000210624 [0,1,0,1,0,0|2,0,0]=4 21523 B11R1.77 CC(C)CN(C)C1CCCC1 269982a_100000747067_100000179811 [0,1,0,1,0,0|2,0,0]=4 21524 B11R1.77 CC(C)CN(C)C1CCCC1 270004a_100000207505_100000210432 [0,1,0,1,0,0|2,0,0]=4 21525 B11R1.77 CC(C)CN(C)C1CCCC1 270004a_100000747067_100000210133 [0,1,0,1,0,0|2,0,0]=4 21526 B11R1.77 CC(C)CN(C)C1CCCC1 34a_100000207505_100000210624 [0,1,0,1,0,0|2,0,0]=4 21527 B11R1.77 CC(C)NC(C)C1CCCC1 2230a_100015185923_100000210206 [0,1,0,1,0,0|2,0,0]=4 21528 B11R1.77 CC(C)NC(C)C1CCCC1 34a_100015185923_100000210206 [0,1,0,1,0,0|2,0,0]=4 21529 B11R1.77 CC(C)OC(C)C1CCCC1 34a_100011216366_100000210206 [0,1,0,1,0,0|2,0,0]=4 21530 B11R1.77 CC(C)OC(C)C1CCCC1 7a_100011216366_100000210206 [0,1,0,1,0,0|2,0,0]=4 21531 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,1,0,1,0,0|0,0,1]=3 21532 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,1,0,1,0,0|1,0,1]=4 21533 B11R1.77 CC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218427 [0,1,0,1,0,0|1,0,1]=4 21534 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,1,0,1,0,0|1,0,1]=4 21535 B11R1.77 CC(O)CN(C)C1CCCC1 2230a_100000207505_100011218427 [0,1,0,1,0,0|1,0,0]=3 21536 B11R1.77 CC(O)CN(C)C1CCCC1 2230a_100000227577_100000179811 [0,1,0,1,0,0|1,0,0]=3 21537 B11R1.77 CC(O)CN(C)C1CCCC1 269982a_100000207505_100011218427 [0,1,0,1,0,0|1,0,0]=3 21538 B11R1.77 CC(O)CN(C)C1CCCC1 269982a_100000227577_100000179811 [0,1,0,1,0,0|1,0,0]=3 21539 B11R1.77 CC(O)CN(C)C1CCCC1 270004a_100000227577_100000210133 [0,1,0,1,0,0|1,0,0]=3 21540 B11R1.77 CC(O)CN(C)C1CCCC1 34a_100000207505_100011218427 [0,1,0,1,0,0|1,0,0]=3 21541 B11R1.77 CC(O)CN(C)C1CCOC1 2230a_100000227577_100000731011 [0,1,0,1,0,0|2,0,0]=4 21542 B11R1.77 CC(O)CN(C)C1CCOC1 2230a_100016988252_100011218427 [0,1,0,1,0,0|2,0,0]=4 21543 B11R1.77 CC(O)CN(C)C1CCOC1 269982a_100000227577_100000731011 [0,1,0,1,0,0|2,0,0]=4 21544 B11R1.77 CC(O)CN(C)C1CCOC1 269982a_100016988252_100011218427 [0,1,0,1,0,0|2,0,0]=4 21545 B11R1.77 CC(O)CN(C)C1CCOC1 270004a_100000227577_100000752484 [0,1,0,1,0,0|2,0,0]=4 21546 B11R1.77 CC(O)CN(C)C1CCOC1 34a_100016988252_100011218427 [0,1,0,1,0,0|2,0,0]=4 21547 B11R1.77 CC(O)CN(C)C1CCSC1 270004a_100000227577_100000212027 [0,1,0,1,0,0|2,0,0]=4 21548 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,1,0,1,0,0|0,0,1]=3 21549 B11R1.77 C[C@@H](O)CC(=O)C1CCOC1 1458a_100011933948_100000690089 [0,1,0,1,0,0|1,0,1]=4 21550 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,1,0,1,0,0|1,0,1]=4 21551 B11R1.77 C[C@@H](O)CN(C)C1CCCC1 2230a_100000207505_100009817552 [0,1,0,1,0,0|1,0,0]=3 21552 B11R1.77 C[C@@H](O)CN(C)C1CCCC1 269982a_100000207505_100009817552 [0,1,0,1,0,0|1,0,0]=3 21553 B11R1.77 C[C@@H](O)CN(C)C1CCCC1 34a_100000207505_100009817552 [0,1,0,1,0,0|1,0,0]=3 21554 B11R1.77 C[C@@H](O)CN(C)C1CCOC1 2230a_100016988252_100009817552 [0,1,0,1,0,0|2,0,0]=4 21555 B11R1.77 C[C@@H](O)CN(C)C1CCOC1 269982a_100016988252_100009817552 [0,1,0,1,0,0|2,0,0]=4 21556 B11R1.77 C[C@@H](O)CN(C)C1CCOC1 34a_100016988252_100009817552 [0,1,0,1,0,0|2,0,0]=4 21557 B11R1.141 CC(C)CC(C)N1CCC1C 269982a_100000755817_100000731052 [0,1,0,1,0,0|2,0,0]=4 21558 B11R1.141 CC(C)CC(C)N1CCC1C 34a_100000755817_100000731052 [0,1,0,1,0,0|2,0,0]=4 21559 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,1,0,1,0,0|1,0,1]=4 21560 B11R1.156 CC(C)N1C(CCCC1C)C 2230a_100000210447_100000210206 [0,1,0,1,0,0|2,0,0]=4 21561 B11R1.156 CC(C)N1C(CCCC1C)C 269982a_100000210447_100000210206 [0,1,0,1,0,0|2,0,0]=4 21562 B11R1.156 CC(C)N1C(CCCC1C)C 34a_100000210447_100000210206 [0,1,0,1,0,0|2,0,0]=4 21563 B11R1.156 CC1CCCC(C1N(C)C)C 2230a_200000753723_200000210301 [0,1,0,1,0,0|2,0,0]=4 21564 B11R1.156 CC1CCCC(C1N(C)C)C 269982a_200000753723_200000210301 [0,1,0,1,0,0|2,0,0]=4 21565 B11R1.156 CC1CCCC(C1N(C)C)C 34a_200000753723_200000210301 [0,1,0,1,0,0|2,0,0]=4 21566 B11R1.156 CC1CCCC(C1N(C)[13CH3])C 2230a_200000753723_200025704644 [0,1,0,1,0,0|2,0,0]=4 21567 B11R1.156 CC1CCCC(C1N(C)[13CH3])C 269982a_200000753723_200025704644 [0,1,0,1,0,0|2,0,0]=4 21568 B11R1.156 CC1CCCC(C1N(C)[13CH3])C 34a_200000753723_200025704644 [0,1,0,1,0,0|2,0,0]=4 21569 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|1,0,1]=4 21570 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,1,0,1,0,0|0,0,1]=3 21571 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,1,0,1,0,0|1,0,1]=4 21572 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,1,0,1,0,0|1,0,1]=4 21573 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,1,0,1,0,0|0,0,1]=3 21574 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,1,0,1,0,0|0,1,1]=4 21575 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,1,0,1,0,0|0,0,1]=3 21576 B11R1.301 CCCCCC(C)NC1CC1 34a_100000212008_200011218191 [0,1,0,1,0,0|2,0,0]=4 21577 B11R1.301 CCCCCC(C)OC1CC1 34a_100011215632_100000211595 [0,1,0,1,0,0|2,0,0]=4 21578 B11R1.301 CCCCCC(C)SC1CC1 62a_200011218191_100000211595 [0,1,0,1,0,0|2,0,0]=4 21579 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000223495_100000742324 [0,1,0,1,0,0|2,0,0]=4 21580 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000741881_100000210326 [0,1,0,1,0,0|2,0,0]=4 21581 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000223495_100000756562 [0,1,0,1,0,0|2,0,0]=4 21582 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000741881_100000210215 [0,1,0,1,0,0|2,0,0]=4 21583 B11R1.301 CCCCCN(C)CC1CO1 2230a_100000223495_100011216344 [0,1,0,1,0,0|1,0,0]=3 21584 B11R1.301 CCCCCN(C)CC1CO1 269982a_100000223495_102125554688 [0,1,0,1,0,0|1,0,0]=3 21585 B11R1.301 CCCCCN(C)CC1CS1 269982a_100000223495_100000031435 [0,1,0,1,0,0|1,1,0]=4 21586 B11R1.301 CCCCCN(C)C[C@@H]1CO1 269982a_100000223495_100000745022 [0,1,0,1,0,0|1,0,0]=3 21587 B11R1.301 CCCCNC(C)CC1CC1 270004a_100000102301_200000686933 [0,1,0,1,0,0|2,0,0]=4 21588 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,1,0,1,0,0|1,0,1]=4 21589 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,1,0,1,0,0|1,0,1]=4 21590 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,1,0,1,0,0|1,0,1]=4 21591 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,1,0,1,0,0|1,0,1]=4 21592 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,1,0,1,0,0|1,0,1]=4 21593 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,1,0,1,0,0|1,0,1]=4 21594 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,1,0,1,0,0|1,0,1]=4 21595 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,1,0,1,0,0|1,0,1]=4 21596 B11R1.301 CN(CCCCO)CC1CO1 2230a_100000717598_100011216344 [0,1,0,1,0,0|2,0,0]=4 21597 B11R1.301 CN(CCCCO)CC1CO1 269982a_100000717598_102125554688 [0,1,0,1,0,0|2,0,0]=4 21598 B11R1.301 CN(CCCCO)C[C@@H]1CO1 269982a_100000717598_100000745022 [0,1,0,1,0,0|2,0,0]=4 21599 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,1,0,1,0,0|1,0,1]=4 21600 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,1,0,1,0,0|1,0,1]=4 21601 B11R1.301 COCCCN(C)CC1CO1 2230a_100000224831_100011216344 [0,1,0,1,0,0|2,0,0]=4 21602 B11R1.301 COCCCN(C)CC1CO1 269982a_100000224831_102125554688 [0,1,0,1,0,0|2,0,0]=4 21603 B11R1.301 COCCCN(C)C[C@@H]1CO1 269982a_100000224831_100000745022 [0,1,0,1,0,0|2,0,0]=4 21604 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,1,0,1,0,0|1,0,1]=4 21605 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,1,0,1,0,0|1,0,1]=4 21606 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,1,0,1,0,0|1,0,1]=4 21607 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,1,0,1,0,0|1,0,1]=4 21608 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,1,0,1,0,0|1,0,1]=4 21609 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,1,0,1,0,0|1,0,1]=4 21610 B11R1.484 CC(C)CC(C)NC1CCC1 2230a_100000749019_100000731052 [0,1,0,1,0,0|2,0,0]=4 21611 B11R1.484 CC(C)CC(C)NC1CCC1 270004a_100000692259_100000241760 [0,1,0,1,0,0|2,0,0]=4 21612 B11R1.484 CC(C)CC(C)NC1CCC1 34a_100000749019_100000731052 [0,1,0,1,0,0|2,0,0]=4 21613 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000211805_100000749161 [0,1,0,1,0,0|2,0,0]=4 21614 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000748187_100000731052 [0,1,0,1,0,0|2,0,0]=4 21615 B11R1.484 CC(C)CC(C)SC1CCC1 62a_100000731052_100000749161 [0,1,0,1,0,0|2,0,0]=4 21616 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_100000747067_100000763275 [0,1,0,1,0,0|2,0,0]=4 21617 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_200000750244_100000210760 [0,1,0,1,0,0|2,0,0]=4 21618 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_100000747067_100000763275 [0,1,0,1,0,0|2,0,0]=4 21619 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_200000750244_100000210624 [0,1,0,1,0,0|2,0,0]=4 21620 B11R1.484 CC(C)CN(C)CC1CCC1 270004a_200000750244_100000210432 [0,1,0,1,0,0|2,0,0]=4 21621 B11R1.484 CC(C)CN(C)CC1CCC1 34a_200000750244_100000210624 [0,1,0,1,0,0|2,0,0]=4 21622 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [0,1,0,1,0,0|0,0,1]=3 21623 B11R1.484 CC(O)CC(=O)CC1COC1 1458a_100000687760_100011218427 [0,1,0,1,0,0|1,0,1]=4 21624 B11R1.484 CC(O)CN(C)CC1CCC1 2230a_100000227577_100000763275 [0,1,0,1,0,0|1,0,0]=3 21625 B11R1.484 CC(O)CN(C)CC1CCC1 2230a_200000750244_100011218427 [0,1,0,1,0,0|1,0,0]=3 21626 B11R1.484 CC(O)CN(C)CC1CCC1 269982a_100000227577_100000763275 [0,1,0,1,0,0|1,0,0]=3 21627 B11R1.484 CC(O)CN(C)CC1CCC1 269982a_200000750244_100011218427 [0,1,0,1,0,0|1,0,0]=3 21628 B11R1.484 CC(O)CN(C)CC1CCC1 34a_200000750244_100011218427 [0,1,0,1,0,0|1,0,0]=3 21629 B11R1.484 CC(O)CN(C)CC1CCO1 2230a_100000227577_100000103362 [0,1,0,1,0,0|2,0,0]=4 21630 B11R1.484 CC(O)CN(C)CC1CCO1 269982a_100000227577_100000103362 [0,1,0,1,0,0|2,0,0]=4 21631 B11R1.484 CC(O)CN(C)CC1COC1 2230a_100000227577_100010264016 [0,1,0,1,0,0|2,0,0]=4 21632 B11R1.484 CC(O)CN(C)CC1COC1 269982a_100000227577_100010264016 [0,1,0,1,0,0|2,0,0]=4 21633 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [0,1,0,1,0,0|0,0,1]=3 21634 B11R1.484 C[C@@H](O)CC(=O)CC1CCO1 1458a_100011933948_100000103362 [0,1,0,1,0,0|1,0,1]=4 21635 B11R1.484 C[C@@H](O)CC(=O)CC1COC1 1458a_100011933948_100010264016 [0,1,0,1,0,0|1,0,1]=4 21636 B11R1.484 C[C@@H](O)CC(=O)NC1CCC1 240690a_100000749019_100011933948 [0,1,0,1,0,0|1,0,1]=4 21637 B11R1.484 C[C@@H](O)CN(C)CC1CCC1 2230a_200000750244_100009817552 [0,1,0,1,0,0|1,0,0]=3 21638 B11R1.484 C[C@@H](O)CN(C)CC1CCC1 269982a_200000750244_100009817552 [0,1,0,1,0,0|1,0,0]=3 21639 B11R1.484 C[C@@H](O)CN(C)CC1CCC1 34a_200000750244_100009817552 [0,1,0,1,0,0|1,0,0]=3 21640 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,1,0,1,0,0|1,0,1]=4 21641 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,1,0,1,0,0|1,0,1]=4 21642 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000692259_100000742324 [0,1,0,1,0,0|2,0,0]=4 21643 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000735609_100000731052 [0,1,0,1,0,0|2,0,0]=4 21644 B11R1.485 CC(C)CC(C)NCC1CC1 269862a_100000692259_100000741477 [0,1,0,1,0,0|2,0,0]=4 21645 B11R1.485 CC(C)CC(C)NCC1CC1 34a_100000735609_100000731052 [0,1,0,1,0,0|2,0,0]=4 21646 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211283_100000731052 [0,1,0,1,0,0|2,0,0]=4 21647 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211805_100000742324 [0,1,0,1,0,0|2,0,0]=4 21648 B11R1.485 CC(C)CC(C)OCC1CC1 7a_100000211805_100000742324 [0,1,0,1,0,0|2,0,0]=4 21649 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000731052_100000742324 [0,1,0,1,0,0|2,0,0]=4 21650 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000756562_100000731052 [0,1,0,1,0,0|2,0,0]=4 21651 B11R1.485 CC(C)CN(C)CCC1CC1 2230a_100000747067_100000694398 [0,1,0,1,0,0|2,0,0]=4 21652 B11R1.485 CC(C)CN(C)CCC1CC1 269982a_100000747067_100000694398 [0,1,0,1,0,0|2,0,0]=4 21653 B11R1.485 CC(C)C[C@H](N)COC1CC1 34a_100011830311_100000211595 [0,1,0,1,0,0|2,0,0]=4 21654 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,1,0,1,0,0|0,0,1]=3 21655 B11R1.485 CC(O)CN(C)CCC1CC1 2230a_100000227577_100000694398 [0,1,0,1,0,0|1,0,0]=3 21656 B11R1.485 CC(O)CN(C)CCC1CC1 269982a_100000227577_100000694398 [0,1,0,1,0,0|1,0,0]=3 21657 B11R1.485 CC(O)CN(C)CCC1CO1 2230a_100000227577_100000732470 [0,1,0,1,0,0|2,0,0]=4 21658 B11R1.485 CC(O)CN(C)CCC1CO1 269982a_100000227577_100000732470 [0,1,0,1,0,0|2,0,0]=4 21659 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,1,0,1,0,0|0,0,1]=3 21660 B11R1.485 C[C@@H](O)CC(=O)CCC1CO1 1458a_100011933948_100000732470 [0,1,0,1,0,0|1,0,1]=4 21661 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,1,0,1,0,0|1,0,1]=4 21662 B11R1.618 CCNC1CC(CC1(C)C)C 269862a_100015525214_100000042959 [0,1,0,1,0,0|2,0,0]=4 21663 B11R1.758 CC1(CN(C1)CCCCF)O 2230a_100000718560_100000729493 [0,1,0,1,0,0|2,0,0]=4 21664 B11R1.758 CC1(CN(C1)CCCCF)O 269982a_100000718560_100000729493 [0,1,0,1,0,0|2,0,0]=4 21665 B11R1.758 CC1(CN(C1)CCCCO)O 2230a_100000718560_100000210776 [0,1,0,1,0,0|2,0,0]=4 21666 B11R1.758 CC1(CN(C1)CCCCO)O 269982a_100000718560_100000210776 [0,1,0,1,0,0|2,0,0]=4 21667 B11R1.758 CCCCCN1CC(C1)(C)C 2230a_100000753659_100000210326 [0,1,0,1,0,0|2,0,0]=4 21668 B11R1.758 CCCCCN1CC(C1)(C)C 269982a_100000753659_100000210215 [0,1,0,1,0,0|2,0,0]=4 21669 B11R1.758 CCCCCN1CC(C1)(C)F 2230a_100000696199_100000210326 [0,1,0,1,0,0|2,0,0]=4 21670 B11R1.758 CCCCCN1CC(C1)(C)F 269982a_100000696199_100000210215 [0,1,0,1,0,0|2,0,0]=4 21671 B11R1.758 CCCCCN1CC(C1)(C)O 2230a_100000718560_100000210326 [0,1,0,1,0,0|1,0,0]=3 21672 B11R1.758 CCCCCN1CC(C1)(C)O 269982a_100000718560_100000210215 [0,1,0,1,0,0|1,0,0]=3 21673 B11R1.758 CCCCCN1CC(C1)(F)F 2230a_100000684464_100000210326 [0,1,0,1,0,0|2,0,0]=4 21674 B11R1.758 CCCCCN1CC(C1)(F)F 269982a_100000684464_100000210215 [0,1,0,1,0,0|2,0,0]=4 21675 B11R1.758 CCCCNC1CC(C1)(F)F 2230a_100000756238_100000210211 [0,1,0,1,0,0|2,0,0]=4 21676 B11R1.758 CCCCNC1CC(C1)(F)F 270004a_100000102301_100000144187 [0,1,0,1,0,0|2,0,0]=4 21677 B11R1.758 CCCCNC1CC(C1)(F)F 7a_106832991798_100010741680 [0,1,0,1,0,0|2,0,0]=4 21678 B11R1.758 CCCCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210211 [0,1,0,1,0,0|1,0,0]=3 21679 B11R1.758 CCCCOC1CC(C1)(F)F 34a_100000144188_100000210210 [0,1,0,1,0,0|2,0,0]=4 21680 B11R1.758 CCCCOC1CC(C1)(F)F 34a_100000210227_100010741680 [0,1,0,1,0,0|2,0,0]=4 21681 B11R1.758 CCCCOC1CC(C1)(F)F 7a_100000210227_100010741680 [0,1,0,1,0,0|2,0,0]=4 21682 B11R1.758 CCCCSC1CC(C1)(F)F 62a_100010741680_100000210210 [0,1,0,1,0,0|2,0,0]=4 21683 B11R1.758 CCCNCC1CC(C1)(F)F 2230a_100000734121_100000210303 [0,1,0,1,0,0|2,0,0]=4 21684 B11R1.758 CCCNCC1CC(C1)(F)F 34a_100000734121_100000210303 [0,1,0,1,0,0|2,0,0]=4 21685 B11R1.758 CCCNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000210303 [0,1,0,1,0,0|1,0,0]=3 21686 B11R1.758 CCCOCC1CC(C1)(F)F 34a_100000060036_100000210303 [0,1,0,1,0,0|2,0,0]=4 21687 B11R1.758 CCCOCC1CC(C1)(F)F 34a_100000210258_100009886855 [0,1,0,1,0,0|2,0,0]=4 21688 B11R1.758 CCCSCC1CC(C1)(F)F 62a_100000210303_100009886855 [0,1,0,1,0,0|2,0,0]=4 21689 B11R1.758 CCCSCC1CC(C1)(F)F 62a_100009886855_100000210303 [0,1,0,1,0,0|2,0,0]=4 21690 B11R1.758 CCOCCN1CC(C1)(C)O 2230a_100000718560_100011215890 [0,1,0,1,0,0|2,0,0]=4 21691 B11R1.758 CCOCCN1CC(C1)(C)O 269982a_100000718560_100011215890 [0,1,0,1,0,0|2,0,0]=4 21692 B11R1.758 CCSCCN1CC(C1)(C)O 2230a_100000718560_100000757381 [0,1,0,1,0,0|2,0,0]=4 21693 B11R1.758 CCSCCN1CC(C1)(C)O 269982a_100000718560_100000757381 [0,1,0,1,0,0|2,0,0]=4 21694 B11R1.758 COCCCN1CC(C1)(C)O 2230a_100000718560_100000740836 [0,1,0,1,0,0|2,0,0]=4 21695 B11R1.758 COCCCN1CC(C1)(C)O 269982a_100000718560_100000740836 [0,1,0,1,0,0|2,0,0]=4 21696 B11R1.758 COCCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100011201679 [0,1,0,1,0,0|2,0,0]=4 21697 B11R1.758 COCNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000766300 [0,1,0,1,0,0|2,0,0]=4 21698 B11R1.758 CSCCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000751147 [0,1,0,1,0,0|2,0,0]=4 21699 B11R1.758 CSCNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100011218213 [0,1,0,1,0,0|2,0,0]=4 21700 B11R1.758 C[C@@]1(C[C@H](C1)CNCCF)O 2230a_100015257651_100011217306 [0,1,0,1,0,0|2,0,0]=4 21701 B11R1.758 C[C@@]1(C[C@H](C1)CNCCO)O 2230a_100015257651_100000211926 [0,1,0,1,0,0|2,0,0]=4 21702 B11R1.758 C[C@@]1(C[C@H](C1)NCCCF)O 2230a_100121572536_100011934791 [0,1,0,1,0,0|2,0,0]=4 21703 B11R1.758 C[C@@]1(C[C@H](C1)NCCCO)O 2230a_100121572536_100000230001 [0,1,0,1,0,0|2,0,0]=4 21704 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,1,0,1,0,0|0,0,2]=4 21705 B11R1.928 CC(C)NC1(CCCCC1)C 2230a_100000741114_100000210206 [0,1,0,1,0,0|2,0,0]=4 21706 B11R1.928 CC(C)NC1(CCCCC1)C 34a_100000741114_100000210206 [0,1,0,1,0,0|2,0,0]=4 21707 B11R1.928 CC(C)OC1(CCCCC1)C 34a_100011215885_100000210206 [0,1,0,1,0,0|2,0,0]=4 21708 B11R1.928 CC(C)OC1(CCCCC1)C 7a_100011215885_100000210206 [0,1,0,1,0,0|2,0,0]=4 21709 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,1,0,1,0,0|0,0,2]=4 21710 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,1,0,1,0,0|1,0,1]=4 21711 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,1,0,1,0,0|1,0,1]=4 21712 B11R1.58 CC(C)(O)[C@H]1CCCN1CF 269982a_100020587339_100015361967 [0,1,0,1,0,0|2,0,0]=4 21713 B11R1.58 CC(C)(O)[C@H]1CCCN1CF 34a_100020587339_100015361967 [0,1,0,1,0,0|2,0,0]=4 21714 B11R1.58 CCC1CCCN1C(C)(C)C 269982a_100000754278_100000210625 [0,1,0,1,0,0|2,0,0]=4 21715 B11R1.58 CCC1CCCN1C(C)(C)C 34a_100000754278_100000210625 [0,1,0,1,0,0|2,0,0]=4 21716 B11R1.58 CCN1CCC[C@@H]1C(C)(C)O 2230a_100020587339_100000210202 [0,1,0,1,0,0|1,0,0]=3 21717 B11R1.58 CCN1CCC[C@@H]1C(C)(C)O 269982a_100020587339_100000204670 [0,1,0,1,0,0|1,0,0]=3 21718 B11R1.58 CCN1CCC[C@@H]1C(C)(C)O 34a_100020587339_100000210202 [0,1,0,1,0,0|1,0,0]=3 21719 B11R1.87 CC1CCCCN1C(C)(C)C 269982a_100000211376_100000210625 [0,1,0,1,0,0|2,0,0]=4 21720 B11R1.87 CC1CCCCN1C(C)(C)C 34a_100000211376_100000210625 [0,1,0,1,0,0|2,0,0]=4 21721 B11R1.105 CC1CCCC1OC(C)(C)C 34a_100011216460_100000210625 [0,1,0,1,0,0|2,0,0]=4 21722 B11R1.105 CC1SCCN1CC(C)(C)O 34a_200011216479_100000764493 [0,1,0,1,0,0|2,0,0]=4 21723 B11R1.105 C[C@@H]1CCCN1CC(C)(C)C 270004a_100015189458_100011204126 [0,1,0,1,0,0|2,0,0]=4 21724 B11R1.105 C[C@@H]1CCCN1CC(C)(C)C 34a_100015189458_100011219605 [0,1,0,1,0,0|2,0,0]=4 21725 B11R1.105 C[C@@H]1CCCN1CC(C)(C)F 34a_100015189458_100011997219 [0,1,0,1,0,0|2,0,0]=4 21726 B11R1.105 C[C@@H]1CCCN1CC(C)(C)O 34a_100015189458_100000764493 [0,1,0,1,0,0|1,0,0]=3 21727 B11R1.105 C[C@H]1CCCN1CC(C)(C)C 270004a_100020605311_100011204126 [0,1,0,1,0,0|2,0,0]=4 21728 B11R1.148 CC(C)(O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000702414 [0,1,0,1,0,0|2,0,0]=4 21729 B11R1.148 CC(C)(O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000702414 [0,1,0,1,0,0|2,0,0]=4 21730 B11R1.148 CC(C)(O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000702414 [0,1,0,1,0,0|2,0,0]=4 21731 B11R1.148 CC1CC1COCC(C)(C)C 34a_100000744939_100011219605 [0,1,0,1,0,0|2,0,0]=4 21732 B11R1.148 CC1CC1COCC(C)(C)F 34a_100000744939_100011997219 [0,1,0,1,0,0|2,0,0]=4 21733 B11R1.148 CC1CC1COCC(C)(C)O 34a_100000744939_100000764493 [0,1,0,1,0,0|1,0,0]=3 21734 B11R1.148 CC1CC1COCC(C)(C)O 7a_100000744939_100000764493 [0,1,0,1,0,0|1,0,0]=3 21735 B11R1.160 CC1CCN1CCC(C)(C)C 269982a_100000755817_100000755188 [0,1,0,1,0,0|2,0,0]=4 21736 B11R1.160 CC1CCN1CCC(C)(C)C 34a_100000755817_100000755188 [0,1,0,1,0,0|2,0,0]=4 21737 B11R1.160 CC1CCN1CCC(C)(C)O 34a_100000755817_100000702414 [0,1,0,1,0,0|1,0,0]=3 21738 B11R1.213 CC1(CCN(C1)CCCF)O 2230a_100000718628_100011934791 [0,1,0,1,0,0|2,0,0]=4 21739 B11R1.213 CC1(CCN(C1)CCCF)O 269982a_100000718628_100011934791 [0,1,0,1,0,0|2,0,0]=4 21740 B11R1.213 CC1(CCN(C1)CCCO)O 2230a_100000718628_100000230001 [0,1,0,1,0,0|2,0,0]=4 21741 B11R1.213 CC1(CCN(C1)CCCO)O 269982a_100000718628_100011215043 [0,1,0,1,0,0|2,0,0]=4 21742 B11R1.213 CC1(OCC(O1)CCO[13CH3])C 34a_100000046863_200025704644 [0,1,0,1,0,0|2,0,0]=4 21743 B11R1.213 CC1(OCC(O1)CCO[13CH3])C 7a_100000046863_200025704644 [0,1,0,1,0,0|2,0,0]=4 21744 B11R1.213 CCCCN1CCC(C1)(C)C 2230a_100000764714_100000210211 [0,1,0,1,0,0|2,0,0]=4 21745 B11R1.213 CCCCN1CCC(C1)(C)C 269982a_100000764714_100000210211 [0,1,0,1,0,0|2,0,0]=4 21746 B11R1.213 CCCCN1CCC(C1)(C)O 2230a_100000718628_100000210211 [0,1,0,1,0,0|1,0,0]=3 21747 B11R1.213 CCCCN1CCC(C1)(C)O 269982a_100000718628_100000210211 [0,1,0,1,0,0|1,0,0]=3 21748 B11R1.213 CCCCN1CCC(C1)(F)F 2230a_100000697292_100000210211 [0,1,0,1,0,0|2,0,0]=4 21749 B11R1.213 CCCCN1CCC(C1)(F)F 269982a_100000697292_100000210211 [0,1,0,1,0,0|2,0,0]=4 21750 B11R1.213 CCCCN1CCC(C1)(F)F 34a_100000697292_100000210210 [0,1,0,1,0,0|2,0,0]=4 21751 B11R1.213 CCCNC1CCC(C1)(C)C 270004a_100020643023_100000759959 [0,1,0,1,0,0|2,0,0]=4 21752 B11R1.213 CCCNC1CCC(C1)(F)F 2230a_100000689000_100000210303 [0,1,0,1,0,0|2,0,0]=4 21753 B11R1.213 CCCNC1CCC(C1)(F)F 34a_100000689000_100000210303 [0,1,0,1,0,0|2,0,0]=4 21754 B11R1.213 CCNCC1COC(O1)(C)C 2230a_100015525214_100009884615 [0,1,0,1,0,0|2,0,0]=4 21755 B11R1.213 CCNC[C@H]1COC(O1)(C)C 2230a_100015525214_100015422573 [0,1,0,1,0,0|2,0,0]=4 21756 B11R1.213 CCNC[C@H]1COC(O1)(C)C 270004a_100015525214_100009815026 [0,1,0,1,0,0|2,0,0]=4 21757 B11R1.213 CCNC[C@H]1COC(O1)(C)C 34a_100015982057_100000210202 [0,1,0,1,0,0|2,0,0]=4 21758 B11R1.213 CCOCC1COC(O1)(C)C 34a_100000729170_100000210202 [0,1,0,1,0,0|2,0,0]=4 21759 B11R1.213 CCOCC1COC(O1)(C)C 7a_100000729170_100000210202 [0,1,0,1,0,0|2,0,0]=4 21760 B11R1.213 CCOCN1CCC(C1)(C)O 269982a_100000718628_100000739092 [0,1,0,1,0,0|2,0,0]=4 21761 B11R1.213 CCSCC1COC(O1)(C)C 62a_100000198056_100000210202 [0,1,0,1,0,0|2,0,0]=4 21762 B11R1.213 CCSCC1COC(O1)(C)C 62a_100000210202_100000198056 [0,1,0,1,0,0|2,0,0]=4 21763 B11R1.213 CCSC[C@H]1COC(O1)(C)C 62a_100000210202_100015422573 [0,1,0,1,0,0|2,0,0]=4 21764 B11R1.213 CCSC[C@H]1COC(O1)(C)C 62a_100015422573_100000210202 [0,1,0,1,0,0|2,0,0]=4 21765 B11R1.213 COCCC1COC(O1)(C)C 34a_100000046863_200000210301 [0,1,0,1,0,0|2,0,0]=4 21766 B11R1.213 COCCC1COC(O1)(C)C 7a_100000046863_200000210301 [0,1,0,1,0,0|2,0,0]=4 21767 B11R1.213 COCCN1CCC(C1)(C)O 2230a_100000718628_100011201679 [0,1,0,1,0,0|2,0,0]=4 21768 B11R1.213 COCCN1CCC(C1)(C)O 269982a_100000718628_100000233755 [0,1,0,1,0,0|2,0,0]=4 21769 B11R1.213 CSCCN1CCC(C1)(C)O 2230a_100000718628_100000751147 [0,1,0,1,0,0|2,0,0]=4 21770 B11R1.213 CSCCN1CCC(C1)(C)O 269982a_100000718628_100000212216 [0,1,0,1,0,0|2,0,0]=4 21771 B11R1.320 CC1(CO1)CNCCCCO 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 21772 B11R1.320 CC1(CO1)COCCCCBr 34a_100011216708_100000760498 [0,1,0,1,0,0|2,0,0]=4 21773 B11R1.320 CC1(CO1)COCCCCCl 34a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 21774 B11R1.320 CC1(CO1)COCCCCF 34a_100011995726_100000760498 [0,1,0,1,0,0|2,0,0]=4 21775 B11R1.320 CC1(CO1)COCCCCI 34a_200012148704_100000760498 [0,1,0,1,0,0|2,0,0]=4 21776 B11R1.320 CC1(CO1)COCCCCN 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 21777 B11R1.320 CC1(CO1)CSCCCCF 62a_100000729493_100000760498 [0,1,0,1,0,0|2,0,0]=4 21778 B11R1.320 CC1(CO1)CSCCCCF 62a_100000760498_100000729493 [0,1,0,1,0,0|2,0,0]=4 21779 B11R1.320 CC1(CO1)CSCCCCO 62a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 21780 B11R1.320 CC1(CO1)CSCCCCO 62a_100000760498_100000210776 [0,1,0,1,0,0|2,0,0]=4 21781 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,1,0,1,0,0|2,0,0]=4 21782 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,1,0,1,0,0|2,0,0]=4 21783 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,1,0,1,0,0|2,0,0]=4 21784 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,1,0,1,0,0|1,0,0]=3 21785 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,1,0,1,0,0|2,0,0]=4 21786 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,1,0,1,0,0|2,0,0]=4 21787 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,1,0,1,0,0|2,0,0]=4 21788 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,1,0,1,0,0|1,0,0]=3 21789 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,1,0,1,0,0|1,0,0]=3 21790 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,1,0,1,0,0|1,0,0]=3 21791 B11R1.320 CCCCOCCC1(N=N1)C 34a_100009880064_100000210210 [0,1,0,1,0,0|2,0,0]=4 21792 B11R1.320 CCOCCNCC1(CC1)O 2230a_100011936951_100011215890 [0,1,0,1,0,0|2,0,0]=4 21793 B11R1.320 CCOCCNCC1(CO1)C 34a_102516460346_100000760498 [0,1,0,1,0,0|2,0,0]=4 21794 B11R1.320 CCOCCOCC1(CO1)C 34a_100000210136_100000760498 [0,1,0,1,0,0|2,0,0]=4 21795 B11R1.320 CCOCCSCC1(CO1)C 62a_100000210147_100000760498 [0,1,0,1,0,0|2,0,0]=4 21796 B11R1.320 CCOCCSCC1(CO1)C 62a_100000760498_100011215890 [0,1,0,1,0,0|2,0,0]=4 21797 B11R1.320 CCSCCNCC1(CC1)O 2230a_100011936951_100000757381 [0,1,0,1,0,0|2,0,0]=4 21798 B11R1.320 CCSCCOCC1(CO1)C 34a_100000212035_100000760498 [0,1,0,1,0,0|2,0,0]=4 21799 B11R1.320 CCSCCSCC1(CO1)C 62a_100000757381_100000760498 [0,1,0,1,0,0|2,0,0]=4 21800 B11R1.320 CCSCCSCC1(CO1)C 62a_100000760498_100000757381 [0,1,0,1,0,0|2,0,0]=4 21801 B11R1.320 CNCCCOCC1(CO1)C 34a_100000213112_100000760498 [0,1,0,1,0,0|2,0,0]=4 21802 B11R1.320 COCCCNCC1(CC1)O 2230a_100011936951_100000740836 [0,1,0,1,0,0|2,0,0]=4 21803 B11R1.320 COCCCNCC1(CO1)C 34a_100150723488_100000760498 [0,1,0,1,0,0|2,0,0]=4 21804 B11R1.320 COCCCOCC1(CO1)C 34a_100000740835_100000760498 [0,1,0,1,0,0|2,0,0]=4 21805 B11R1.320 COCCCSCC1(CO1)C 62a_100000709357_100000760498 [0,1,0,1,0,0|2,0,0]=4 21806 B11R1.320 COCCCSCC1(CO1)C 62a_100000760498_100000709357 [0,1,0,1,0,0|2,0,0]=4 21807 B11R1.320 CSCCCOCC1(CO1)C 34a_100000690336_100000760498 [0,1,0,1,0,0|2,0,0]=4 21808 B11R1.320 OC1(CC1)CNCCCCF 2230a_100011936951_100000729493 [0,1,0,1,0,0|2,0,0]=4 21809 B11R1.320 OCCCCNCC1(CC1)O 2230a_100011936951_100000210776 [0,1,0,1,0,0|2,0,0]=4 21810 B11R1.343 CC(C)(C)CCNCC1CC1 2230a_100000735609_100000755188 [0,1,0,1,0,0|2,0,0]=4 21811 B11R1.343 CC(C)(C)CCNCC1CC1 2230a_100000738805_100000742324 [0,1,0,1,0,0|2,0,0]=4 21812 B11R1.343 CC(C)(C)CCNCC1CC1 269862a_100000738805_100000741477 [0,1,0,1,0,0|2,0,0]=4 21813 B11R1.343 CC(C)(C)CCNCC1CC1 34a_100000735609_100000755188 [0,1,0,1,0,0|2,0,0]=4 21814 B11R1.343 CC(C)(C)CCOCC1CC1 34a_100000211283_100000755188 [0,1,0,1,0,0|2,0,0]=4 21815 B11R1.343 CC(C)(C)CCOCC1CC1 7a_100000765024_100000742324 [0,1,0,1,0,0|2,0,0]=4 21816 B11R1.343 CC(C)(C)CCSCC1CC1 62a_100000755188_100000742324 [0,1,0,1,0,0|2,0,0]=4 21817 B11R1.343 CC(C)(C)CCSCC1CC1 62a_100000756562_100000755188 [0,1,0,1,0,0|2,0,0]=4 21818 B11R1.343 CC(C)(C)CNCCC1CC1 2230a_100000743828_100000694398 [0,1,0,1,0,0|2,0,0]=4 21819 B11R1.343 CC(C)(C)CNCCC1CC1 270004a_100000764129_100011204126 [0,1,0,1,0,0|2,0,0]=4 21820 B11R1.343 CC(C)(C)CNCCC1CC1 34a_100000764129_100011219605 [0,1,0,1,0,0|2,0,0]=4 21821 B11R1.343 CC(C)(C)COCCC1CC1 34a_100000754188_100011219605 [0,1,0,1,0,0|2,0,0]=4 21822 B11R1.343 CC(C)(C)CSCCC1CC1 62a_100000764125_100011219605 [0,1,0,1,0,0|2,0,0]=4 21823 B11R1.343 CC(C)(C)CSCCC1CC1 62a_100011219605_100000764125 [0,1,0,1,0,0|2,0,0]=4 21824 B11R1.343 CC(C)(F)CCNCC1CC1 2230a_100016253952_100000742324 [0,1,0,1,0,0|2,0,0]=4 21825 B11R1.343 CC(C)(F)CCNCC1CC1 269862a_100016253952_100000741477 [0,1,0,1,0,0|2,0,0]=4 21826 B11R1.343 CC(C)(F)CNCCC1CC1 2230a_100020643315_100000694398 [0,1,0,1,0,0|2,0,0]=4 21827 B11R1.343 CC(C)(F)CNCCC1CC1 34a_100000764129_100011997219 [0,1,0,1,0,0|2,0,0]=4 21828 B11R1.343 CC(C)(F)COCCC1CC1 34a_100000716592_100000694398 [0,1,0,1,0,0|2,0,0]=4 21829 B11R1.343 CC(C)(F)COCCC1CC1 34a_100000754188_100011997219 [0,1,0,1,0,0|2,0,0]=4 21830 B11R1.343 CC(C)(F)CSCCC1CC1 62a_100000764125_100011997219 [0,1,0,1,0,0|2,0,0]=4 21831 B11R1.343 CC(C)(F)CSCCC1CC1 62a_100011997219_100000764125 [0,1,0,1,0,0|2,0,0]=4 21832 B11R1.343 CC(C)(O)CCCNC1CC1 34a_100000212008_100009888830 [0,1,0,1,0,0|1,0,0]=3 21833 B11R1.343 CC(C)(O)CCCSC1CC1 62a_100009888830_100000211595 [0,1,0,1,0,0|1,0,0]=3 21834 B11R1.343 CC(C)(O)CCNCC1CC1 2230a_100000735609_100000702414 [0,1,0,1,0,0|1,0,0]=3 21835 B11R1.343 CC(C)(O)CCNCC1CC1 269862a_100000707701_100000741477 [0,1,0,1,0,0|1,0,0]=3 21836 B11R1.343 CC(C)(O)CCNCC1CC1 34a_100000735609_100000702414 [0,1,0,1,0,0|1,0,0]=3 21837 B11R1.343 CC(C)(O)CCOCC1CC1 34a_100000211283_100000702414 [0,1,0,1,0,0|1,0,0]=3 21838 B11R1.343 CC(C)(O)CCOC[C@@H]1CO1 34a_100000757423_100000702414 [0,1,0,1,0,0|2,0,0]=4 21839 B11R1.343 CC(C)(O)CCSCC1CC1 62a_100000702414_100000742324 [0,1,0,1,0,0|1,0,0]=3 21840 B11R1.343 CC(C)(O)CCSCC1CC1 62a_100000756562_100000702414 [0,1,0,1,0,0|1,0,0]=3 21841 B11R1.343 CC(C)(O)CCSCC1CO1 62a_100000702414_102125554688 [0,1,0,1,0,0|2,0,0]=4 21842 B11R1.343 CC(C)(O)CCSCC1CO1 62a_102125554688_100000702414 [0,1,0,1,0,0|2,0,0]=4 21843 B11R1.343 CC(C)(O)CCSCC1CS1 62a_100000031435_100000702414 [0,1,0,1,0,0|2,0,0]=4 21844 B11R1.343 CC(C)(O)CCSCC1CS1 62a_100000702414_100000031435 [0,1,0,1,0,0|2,0,0]=4 21845 B11R1.343 CC(C)(O)CCSC[C@@H]1CO1 62a_100000702414_100000745022 [0,1,0,1,0,0|2,0,0]=4 21846 B11R1.343 CC(C)(O)CCSC[C@@H]1CO1 62a_100000745022_100000702414 [0,1,0,1,0,0|2,0,0]=4 21847 B11R1.343 CC(C)(O)CNCCC1CC1 2230a_100000751335_100000694398 [0,1,0,1,0,0|1,0,0]=3 21848 B11R1.343 CC(C)(O)CNCCC1CC1 34a_100000764129_100000764493 [0,1,0,1,0,0|1,0,0]=3 21849 B11R1.343 CC(C)(O)CNCCC1CO1 2230a_100000751335_100000732470 [0,1,0,1,0,0|2,0,0]=4 21850 B11R1.343 CC(C)(O)COCCC1CC1 34a_100000754188_100000764493 [0,1,0,1,0,0|1,0,0]=3 21851 B11R1.343 CC(C)(O)COCCC1CC1 7a_100000754188_100000764493 [0,1,0,1,0,0|1,0,0]=3 21852 B11R1.343 CC(C)(O)COCC[C@@H]1CO1 34a_100009820653_100000764493 [0,1,0,1,0,0|2,0,0]=4 21853 B11R1.343 CC(C)(O)CSCCC1CC1 62a_100000764125_100000764493 [0,1,0,1,0,0|1,0,0]=3 21854 B11R1.343 CC(C)(O)CSCCC1CC1 62a_100000764493_100000764125 [0,1,0,1,0,0|1,0,0]=3 21855 B11R1.343 CC(C)(O)CSCCC1CO1 62a_100000732470_100000764493 [0,1,0,1,0,0|2,0,0]=4 21856 B11R1.343 CC(C)(O)CSCCC1CO1 62a_100000764493_100000732470 [0,1,0,1,0,0|2,0,0]=4 21857 B11R1.343 CC(F)(F)COCCC1CC1 34a_100000068830_100000694398 [0,1,0,1,0,0|2,0,0]=4 21858 B11R1.344 CC(C)(C)CCNC1CCC1 2230a_100000749019_100000755188 [0,1,0,1,0,0|2,0,0]=4 21859 B11R1.344 CC(C)(C)CCNC1CCC1 270004a_100000738805_100000241760 [0,1,0,1,0,0|2,0,0]=4 21860 B11R1.344 CC(C)(C)CCNC1CCC1 34a_100000749019_100000755188 [0,1,0,1,0,0|2,0,0]=4 21861 B11R1.344 CC(C)(C)CCOC1CCC1 34a_100000748187_100000755188 [0,1,0,1,0,0|2,0,0]=4 21862 B11R1.344 CC(C)(C)CCSC1CCC1 62a_100000755188_100000749161 [0,1,0,1,0,0|2,0,0]=4 21863 B11R1.344 CC(C)(C)CNCC1CCC1 2230a_100000743828_100000763275 [0,1,0,1,0,0|2,0,0]=4 21864 B11R1.344 CC(C)(C)CNCC1CCC1 269862a_100000743828_100000753134 [0,1,0,1,0,0|2,0,0]=4 21865 B11R1.344 CC(C)(C)CNCC1CCC1 270004a_100000738700_100011204126 [0,1,0,1,0,0|2,0,0]=4 21866 B11R1.344 CC(C)(C)CNCC1CCC1 34a_100000738700_100011219605 [0,1,0,1,0,0|2,0,0]=4 21867 B11R1.344 CC(C)(C)COCC1CCC1 34a_100000760304_100011219605 [0,1,0,1,0,0|2,0,0]=4 21868 B11R1.344 CC(C)(C)CSCC1CCC1 62a_100000763275_100011219605 [0,1,0,1,0,0|2,0,0]=4 21869 B11R1.344 CC(C)(C)CSCC1CCC1 62a_100011219605_100000763275 [0,1,0,1,0,0|2,0,0]=4 21870 B11R1.344 CC(C)(F)CCNC1CCC1 270004a_100016253952_100000241760 [0,1,0,1,0,0|2,0,0]=4 21871 B11R1.344 CC(C)(F)CNCC1CCC1 2230a_100020643315_100000763275 [0,1,0,1,0,0|2,0,0]=4 21872 B11R1.344 CC(C)(F)CNCC1CCC1 269862a_100020643315_100000753134 [0,1,0,1,0,0|2,0,0]=4 21873 B11R1.344 CC(C)(F)CNCC1CCC1 34a_100000738700_100011997219 [0,1,0,1,0,0|2,0,0]=4 21874 B11R1.344 CC(C)(F)COCC1CCC1 34a_100000716592_100000763275 [0,1,0,1,0,0|2,0,0]=4 21875 B11R1.344 CC(C)(F)COCC1CCC1 34a_100000760304_100011997219 [0,1,0,1,0,0|2,0,0]=4 21876 B11R1.344 CC(C)(F)CSCC1CCC1 62a_100000763275_100011997219 [0,1,0,1,0,0|2,0,0]=4 21877 B11R1.344 CC(C)(F)CSCC1CCC1 62a_100011997219_100000763275 [0,1,0,1,0,0|2,0,0]=4 21878 B11R1.344 CC(C)(O)CCCN1CCC1 269982a_100000754969_100009888830 [0,1,0,1,0,0|1,0,0]=3 21879 B11R1.344 CC(C)(O)CCNC1CCC1 2230a_100000749019_100000702414 [0,1,0,1,0,0|1,0,0]=3 21880 B11R1.344 CC(C)(O)CCNC1CCC1 270004a_100000707701_100000241760 [0,1,0,1,0,0|1,0,0]=3 21881 B11R1.344 CC(C)(O)CCNC1CCC1 34a_100000749019_100000702414 [0,1,0,1,0,0|1,0,0]=3 21882 B11R1.344 CC(C)(O)CCNC1COC1 2230a_100016991112_100000702414 [0,1,0,1,0,0|2,0,0]=4 21883 B11R1.344 CC(C)(O)CCOC1CCC1 34a_100000748187_100000702414 [0,1,0,1,0,0|1,0,0]=3 21884 B11R1.344 CC(C)(O)CCOC1CSC1 7a_100000072292_100000702414 [0,1,0,1,0,0|2,0,0]=4 21885 B11R1.344 CC(C)(O)CCSC1CCC1 62a_100000702414_100000749161 [0,1,0,1,0,0|1,0,0]=3 21886 B11R1.344 CC(C)(O)CCSC1COC1 62a_100000702414_100009818527 [0,1,0,1,0,0|2,0,0]=4 21887 B11R1.344 CC(C)(O)CNCC1CCC1 2230a_100000751335_100000763275 [0,1,0,1,0,0|1,0,0]=3 21888 B11R1.344 CC(C)(O)CNCC1CCC1 269862a_100000751335_100000753134 [0,1,0,1,0,0|1,0,0]=3 21889 B11R1.344 CC(C)(O)CNCC1CCC1 34a_100000738700_100000764493 [0,1,0,1,0,0|1,0,0]=3 21890 B11R1.344 CC(C)(O)CNCC1CCO1 2230a_100000751335_100000103362 [0,1,0,1,0,0|2,0,0]=4 21891 B11R1.344 CC(C)(O)CNCC1COC1 2230a_100000751335_100010264016 [0,1,0,1,0,0|2,0,0]=4 21892 B11R1.344 CC(C)(O)CNCC1COC1 34a_100015281925_100000764493 [0,1,0,1,0,0|2,0,0]=4 21893 B11R1.344 CC(C)(O)CNC[C@@H]1CCO1 34a_100020831831_100000764493 [0,1,0,1,0,0|2,0,0]=4 21894 B11R1.344 CC(C)(O)COCC1CCC1 34a_100000760304_100000764493 [0,1,0,1,0,0|1,0,0]=3 21895 B11R1.344 CC(C)(O)COCC1CCO1 34a_100000039022_100000764493 [0,1,0,1,0,0|2,0,0]=4 21896 B11R1.344 CC(C)(O)COCC1CNC1 34a_100016987283_100000764493 [0,1,0,1,0,0|2,0,0]=4 21897 B11R1.344 CC(C)(O)COCC1COC1 34a_100000060846_100000764493 [0,1,0,1,0,0|2,0,0]=4 21898 B11R1.344 CC(C)(O)CSCC1CCC1 62a_100000763275_100000764493 [0,1,0,1,0,0|1,0,0]=3 21899 B11R1.344 CC(C)(O)CSCC1CCC1 62a_100000764493_100000763275 [0,1,0,1,0,0|1,0,0]=3 21900 B11R1.344 CC(C)(O)CSCC1CCO1 62a_100000103362_100000764493 [0,1,0,1,0,0|2,0,0]=4 21901 B11R1.344 CC(C)(O)CSCC1CCO1 62a_100000764493_100000103362 [0,1,0,1,0,0|2,0,0]=4 21902 B11R1.344 CC(C)(O)CSCC1COC1 62a_100000764493_100010264016 [0,1,0,1,0,0|2,0,0]=4 21903 B11R1.344 CC(C)(O)CSCC1COC1 62a_100010264016_100000764493 [0,1,0,1,0,0|2,0,0]=4 21904 B11R1.344 CC(F)(F)CNCC1CCC1 269862a_100000731000_100000753134 [0,1,0,1,0,0|2,0,0]=4 21905 B11R1.344 CC(F)(F)COCC1CCC1 34a_100000068830_100000763275 [0,1,0,1,0,0|2,0,0]=4 21906 B11R1.382 CCN1CCOCC(C1)(C)O 2230a_100011091861_100000210202 [0,1,0,1,0,0|2,0,0]=4 21907 B11R1.382 CCN1CCOCC(C1)(C)O 269982a_100011091861_100000204670 [0,1,0,1,0,0|2,0,0]=4 21908 B11R1.509 CC(C)(C)NC1CCCCC1 34a_100000182618_100000210625 [0,1,0,1,0,0|2,0,0]=4 21909 B11R1.509 CC(C)(C)OC1CCCCC1 34a_100000210231_100000210625 [0,1,0,1,0,0|2,0,0]=4 21910 B11R1.509 CC(C)(C)OC1CCCCC1 34a_100015890283_100000210327 [0,1,0,1,0,0|2,0,0]=4 21911 B11R1.509 CC(C)(C)OC1CCCCC1 7a_100015890283_100000210327 [0,1,0,1,0,0|2,0,0]=4 21912 B11R1.509 CC(C)(C)SC1CCCCC1 62a_100000210327_100000211941 [0,1,0,1,0,0|2,0,0]=4 21913 B11R1.509 CC(C)(C)SC1CCCCC1 62a_100000211941_100000210327 [0,1,0,1,0,0|2,0,0]=4 21914 B11R1.509 CC(C)(O)CN1CCCOC1 34a_100000131196_100000764493 [0,1,0,1,0,0|2,0,0]=4 21915 B11R1.509 CC(C)(O)CN1CCOCC1 34a_100015191051_100000764493 [0,1,0,1,0,0|2,0,0]=4 21916 B11R1.510 CC(C)(C)CCN1CCCC1 2230a_100000188435_100000755188 [0,1,0,1,0,0|2,0,0]=4 21917 B11R1.510 CC(C)(C)CCN1CCCC1 269982a_100000188435_100000755188 [0,1,0,1,0,0|2,0,0]=4 21918 B11R1.510 CC(C)(C)CNC1CCCC1 2230a_100000743828_100000179811 [0,1,0,1,0,0|2,0,0]=4 21919 B11R1.510 CC(C)(C)CNC1CCCC1 270004a_100000211070_100011204126 [0,1,0,1,0,0|2,0,0]=4 21920 B11R1.510 CC(C)(C)CNC1CCCC1 270004a_100000743828_100000210133 [0,1,0,1,0,0|2,0,0]=4 21921 B11R1.510 CC(C)(C)CNC1CCCC1 34a_100000211070_100011219605 [0,1,0,1,0,0|2,0,0]=4 21922 B11R1.510 CC(C)(C)COC1CCCC1 34a_100000210269_100011219605 [0,1,0,1,0,0|2,0,0]=4 21923 B11R1.510 CC(C)(C)CSC1CCCC1 62a_100011217020_100011219605 [0,1,0,1,0,0|2,0,0]=4 21924 B11R1.510 CC(C)(C)CSC1CCCC1 62a_100011219605_100000179811 [0,1,0,1,0,0|2,0,0]=4 21925 B11R1.510 CC(C)(C)NCC1CCCC1 2230a_100000715429_100000740388 [0,1,0,1,0,0|2,0,0]=4 21926 B11R1.510 CC(C)(C)NCC1CCCC1 34a_100000737975_100000210625 [0,1,0,1,0,0|2,0,0]=4 21927 B11R1.510 CC(C)(C)OCC1CCCC1 34a_100000742336_100000210625 [0,1,0,1,0,0|2,0,0]=4 21928 B11R1.510 CC(C)(C)OCC1CCCC1 34a_100015890283_100000740388 [0,1,0,1,0,0|2,0,0]=4 21929 B11R1.510 CC(C)(C)OCC1CCCC1 7a_100015890283_100000740388 [0,1,0,1,0,0|2,0,0]=4 21930 B11R1.510 CC(C)(C)SCC1CCCC1 62a_100000211941_100000740388 [0,1,0,1,0,0|2,0,0]=4 21931 B11R1.510 CC(C)(C)SCC1CCCC1 62a_100000740388_100000211941 [0,1,0,1,0,0|2,0,0]=4 21932 B11R1.510 CC(C)(F)CNC1CCCC1 2230a_100020643315_100000179811 [0,1,0,1,0,0|2,0,0]=4 21933 B11R1.510 CC(C)(F)CNC1CCCC1 270004a_100020643315_100000210133 [0,1,0,1,0,0|2,0,0]=4 21934 B11R1.510 CC(C)(F)CNC1CCCC1 34a_100000211070_100011997219 [0,1,0,1,0,0|2,0,0]=4 21935 B11R1.510 CC(C)(F)COC1CCCC1 34a_100000210269_100011997219 [0,1,0,1,0,0|2,0,0]=4 21936 B11R1.510 CC(C)(F)COC1CCCC1 34a_100000716592_100000179811 [0,1,0,1,0,0|2,0,0]=4 21937 B11R1.510 CC(C)(F)CSC1CCCC1 62a_100011217020_100011997219 [0,1,0,1,0,0|2,0,0]=4 21938 B11R1.510 CC(C)(F)CSC1CCCC1 62a_100011997219_100000179811 [0,1,0,1,0,0|2,0,0]=4 21939 B11R1.510 CC(C)(O)CCN1CCCC1 2230a_100000188435_100000702414 [0,1,0,1,0,0|1,0,0]=3 21940 B11R1.510 CC(C)(O)CCN1CCSC1 2230a_100011215254_100000702414 [0,1,0,1,0,0|2,0,0]=4 21941 B11R1.510 CC(C)(O)CNC1CCCC1 2230a_100000751335_100000179811 [0,1,0,1,0,0|1,0,0]=3 21942 B11R1.510 CC(C)(O)CNC1CCCC1 270004a_100000751335_100000210133 [0,1,0,1,0,0|1,0,0]=3 21943 B11R1.510 CC(C)(O)CNC1CCCC1 34a_100000211070_100000764493 [0,1,0,1,0,0|1,0,0]=3 21944 B11R1.510 CC(C)(O)CNC1CCOC1 2230a_100000751335_100000731011 [0,1,0,1,0,0|2,0,0]=4 21945 B11R1.510 CC(C)(O)CNC1CCOC1 270004a_100000751335_100000752484 [0,1,0,1,0,0|2,0,0]=4 21946 B11R1.510 CC(C)(O)CNC1CCSC1 270004a_100000751335_100000212027 [0,1,0,1,0,0|2,0,0]=4 21947 B11R1.510 CC(C)(O)CN[C@H]1CCOC1 34a_100015188467_100000764493 [0,1,0,1,0,0|2,0,0]=4 21948 B11R1.510 CC(C)(O)COC1CCCC1 34a_100000210269_100000764493 [0,1,0,1,0,0|1,0,0]=3 21949 B11R1.510 CC(C)(O)COC1CCCC1 7a_100000210269_100000764493 [0,1,0,1,0,0|1,0,0]=3 21950 B11R1.510 CC(C)(O)COC1CCCO1 34a_100000085407_100000764493 [0,1,0,1,0,0|2,0,0]=4 21951 B11R1.510 CC(C)(O)COC1CCSC1 7a_100011232664_100000764493 [0,1,0,1,0,0|2,0,0]=4 21952 B11R1.510 CC(C)(O)CO[C@H]1CCOC1 34a_100000717292_100000764493 [0,1,0,1,0,0|2,0,0]=4 21953 B11R1.510 CC(C)(O)CSC1CCCC1 62a_100000764493_100000179811 [0,1,0,1,0,0|1,0,0]=3 21954 B11R1.510 CC(C)(O)CSC1CCCC1 62a_100011217020_100000764493 [0,1,0,1,0,0|1,0,0]=3 21955 B11R1.510 CC(C)(O)CSC1CCOC1 62a_100000764493_100000690089 [0,1,0,1,0,0|2,0,0]=4 21956 B11R1.510 CC(F)(F)CNC1CCCC1 270004a_100000731000_100000210133 [0,1,0,1,0,0|2,0,0]=4 21957 B11R1.510 CC(F)(F)COC1CCCC1 34a_100000068830_100000179811 [0,1,0,1,0,0|2,0,0]=4 21958 B11R1.1121 CC(C)(C)N1CCCCCC1 269982a_100000185865_100000210625 [0,1,0,1,0,0|2,0,0]=4 21959 B11R1.1121 CC(C)(C)N1CCCCCC1 34a_100000185865_100000210625 [0,1,0,1,0,0|2,0,0]=4 21960 B11R1.20 C=C1CCN(CC1)CC(C)O 2230a_100000752442_100011218427 [0,1,0,1,0,0|1,0,1]=4 21961 B11R1.20 C=C1CCN(CC1)CC(C)O 269982a_100000752442_100011218427 [0,1,0,1,0,0|1,0,1]=4 21962 B11R1.20 C=C1CCN(CC1)CC(C)O 34a_100000752442_100011218427 [0,1,0,1,0,0|1,0,1]=4 21963 B11R1.20 C=C1CCN(CC1)C[C@@H](C)O 2230a_100000752442_100009817552 [0,1,0,1,0,0|1,0,1]=4 21964 B11R1.20 C=C1CCN(CC1)C[C@@H](C)O 269982a_100000752442_100009817552 [0,1,0,1,0,0|1,0,1]=4 21965 B11R1.20 C=C1CCN(CC1)C[C@@H](C)O 34a_100000752442_100009817552 [0,1,0,1,0,0|1,0,1]=4 21966 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,1,0,1,0,0|0,0,2]=4 21967 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,1,0,0|0,0,2]=4 21968 B11R1.20 CC(C)CN1CCC(CC1)C 2230a_100000188429_100000210760 [0,1,0,1,0,0|2,0,0]=4 21969 B11R1.20 CC(C)CN1CCC(CC1)C 269982a_100000188429_100000210624 [0,1,0,1,0,0|2,0,0]=4 21970 B11R1.20 CC(C)CN1CCC(CC1)C 270004a_100000188429_100000210432 [0,1,0,1,0,0|2,0,0]=4 21971 B11R1.20 CC(C)CN1CCC(CC1)C 34a_100000188429_100000210624 [0,1,0,1,0,0|2,0,0]=4 21972 B11R1.20 CC(C)CN1CCC(CC1)F 2230a_100015193889_100000210760 [0,1,0,1,0,0|2,0,0]=4 21973 B11R1.20 CC(C)CN1CCC(CC1)F 269982a_100015193889_100000210624 [0,1,0,1,0,0|2,0,0]=4 21974 B11R1.20 CC(C)CN1CCC(CC1)F 270004a_100015193889_100000210432 [0,1,0,1,0,0|2,0,0]=4 21975 B11R1.20 CC(C)CN1CCC(CC1)F 34a_100015193889_100000210624 [0,1,0,1,0,0|2,0,0]=4 21976 B11R1.20 CC(C)CN1CCC(CC1)O 2230a_100025773856_100000210760 [0,1,0,1,0,0|2,0,0]=4 21977 B11R1.20 CC(C)CN1CCC(CC1)O 269982a_100025773856_100000210624 [0,1,0,1,0,0|2,0,0]=4 21978 B11R1.20 CC(C)CN1CCC(CC1)O 270004a_100025773856_100000210432 [0,1,0,1,0,0|2,0,0]=4 21979 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210206 [0,1,0,1,0,0|2,0,0]=4 21980 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210206 [0,1,0,1,0,0|2,0,0]=4 21981 B11R1.20 CC(C)O[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210206 [0,1,0,1,0,0|2,0,0]=4 21982 B11R1.20 CC(O)CN1CCC(CC1)C 2230a_100000188429_100011218427 [0,1,0,1,0,0|1,0,0]=3 21983 B11R1.20 CC(O)CN1CCC(CC1)C 269982a_100000188429_100011218427 [0,1,0,1,0,0|1,0,0]=3 21984 B11R1.20 CC(O)CN1CCC(CC1)C 34a_100000188429_100011218427 [0,1,0,1,0,0|1,0,0]=3 21985 B11R1.20 CC(O)CN1CCC(CC1)F 2230a_100015193889_100011218427 [0,1,0,1,0,0|1,0,0]=3 21986 B11R1.20 CC(O)CN1CCC(CC1)F 269982a_100015193889_100011218427 [0,1,0,1,0,0|1,0,0]=3 21987 B11R1.20 CC(O)CN1CCC(CC1)F 34a_100015193889_100011218427 [0,1,0,1,0,0|1,0,0]=3 21988 B11R1.20 CC(O)CN1CCC(CC1)O 2230a_100025773856_100011218427 [0,1,0,1,0,0|1,0,0]=3 21989 B11R1.20 CC(O)CN1CCC(CC1)O 269982a_100025773856_100011218427 [0,1,0,1,0,0|1,0,0]=3 21990 B11R1.20 CC(O)CN1CCN(CC1)C 2230a_100000188432_100011218427 [0,1,0,1,0,0|2,0,0]=4 21991 B11R1.20 CC(O)CN1CCN(CC1)C 2230a_100000751509_200000210301 [0,1,0,1,0,0|2,0,0]=4 21992 B11R1.20 CC(O)CN1CCN(CC1)C 269982a_100000188432_100011218427 [0,1,0,1,0,0|2,0,0]=4 21993 B11R1.20 CC(O)CN1CCN(CC1)C 269982a_100000751509_200000210301 [0,1,0,1,0,0|2,0,0]=4 21994 B11R1.20 CC(O)CN1CCN(CC1)[13CH3] 2230a_100000751509_200025704644 [0,1,0,1,0,0|2,0,0]=4 21995 B11R1.20 CC(O)CN1CCN(CC1)[13CH3] 269982a_100000751509_200025704644 [0,1,0,1,0,0|2,0,0]=4 21996 B11R1.20 CC(O)CN1CCS(=O)CC1 2230a_100000752083_100011218427 [0,1,0,1,0,0|2,0,0]=4 21997 B11R1.20 CC(O)CN1CCS(=O)CC1 269982a_100000752083_100011218427 [0,1,0,1,0,0|2,0,0]=4 21998 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,1,0,1,0,0|0,0,2]=4 21999 B11R1.20 CC1CCC(CC1)NC(C)C 34a_100138425928_200011216234 [0,1,0,1,0,0|2,0,0]=4 22000 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000210714_100000210206 [0,1,0,1,0,0|2,0,0]=4 22001 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000212225_200011216234 [0,1,0,1,0,0|2,0,0]=4 22002 B11R1.20 CC1CCC(CC1)OC(C)C 7a_100000210714_100000210206 [0,1,0,1,0,0|2,0,0]=4 22003 B11R1.20 CC1CCC(CC1)SC(C)C 62a_100000210206_200011216234 [0,1,0,1,0,0|2,0,0]=4 22004 B11R1.20 CC1CCN(CC1)C[C@@H](C)O 2230a_100000188429_100009817552 [0,1,0,1,0,0|1,0,0]=3 22005 B11R1.20 CC1CCN(CC1)C[C@@H](C)O 269982a_100000188429_100009817552 [0,1,0,1,0,0|1,0,0]=3 22006 B11R1.20 CC1CCN(CC1)C[C@@H](C)O 34a_100000188429_100009817552 [0,1,0,1,0,0|1,0,0]=3 22007 B11R1.20 C[C@@H](O)CN1CCC(CC1)F 2230a_100015193889_100009817552 [0,1,0,1,0,0|1,0,0]=3 22008 B11R1.20 C[C@@H](O)CN1CCC(CC1)F 269982a_100015193889_100009817552 [0,1,0,1,0,0|1,0,0]=3 22009 B11R1.20 C[C@@H](O)CN1CCC(CC1)F 34a_100015193889_100009817552 [0,1,0,1,0,0|1,0,0]=3 22010 B11R1.20 C[C@@H](O)CN1CCC(CC1)O 2230a_100025773856_100009817552 [0,1,0,1,0,0|1,0,0]=3 22011 B11R1.20 C[C@@H](O)CN1CCC(CC1)O 269982a_100025773856_100009817552 [0,1,0,1,0,0|1,0,0]=3 22012 B11R1.20 C[C@@H](O)CN1CCN(CC1)C 2230a_100000188432_100009817552 [0,1,0,1,0,0|2,0,0]=4 22013 B11R1.20 C[C@@H](O)CN1CCN(CC1)C 269982a_100000188432_100009817552 [0,1,0,1,0,0|2,0,0]=4 22014 B11R1.20 C[C@@H](O)CN1CCS(=O)CC1 2230a_100000752083_100009817552 [0,1,0,1,0,0|2,0,0]=4 22015 B11R1.20 C[C@@H](O)CN1CCS(=O)CC1 269982a_100000752083_100009817552 [0,1,0,1,0,0|2,0,0]=4 22016 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,1,0,0|0,0,2]=4 22017 B11R1.23 CC(CO)N1CCCC(C1)O 2230a_100000211013_100012180447 [0,1,0,1,0,0|2,0,0]=4 22018 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,1,0,1,0,0|1,0,1]=4 22019 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,1,0,1,0,0|0,0,1]=3 22020 B11R1.23 CCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210414 [0,1,0,1,0,0|1,0,1]=4 22021 B11R1.23 CCC(=O)N1CCCC(C1)O 527a_100000211013_100000210414 [0,1,0,1,0,0|1,0,1]=4 22022 B11R1.23 CCC(C)N1CCCC(C1)F 2230a_100000697950_100000758301 [0,1,0,1,0,0|2,0,0]=4 22023 B11R1.23 CCC(C)N1CCCC(C1)F 269982a_100000697950_100000758301 [0,1,0,1,0,0|2,0,0]=4 22024 B11R1.23 CCC(C)N1CCCC(C1)F 34a_100000697950_100011215416 [0,1,0,1,0,0|2,0,0]=4 22025 B11R1.23 CCC(C)N1CCCC(C1)O 2230a_100000211013_100000758301 [0,1,0,1,0,0|1,0,0]=3 22026 B11R1.23 CCC(C)N1CCCC(C1)O 269982a_100000211013_100000758301 [0,1,0,1,0,0|1,0,0]=3 22027 B11R1.23 CCC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000758301 [0,1,0,1,0,0|2,0,0]=4 22028 B11R1.23 CCC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000758301 [0,1,0,1,0,0|2,0,0]=4 22029 B11R1.23 CCC(C)N1CCC[C@@H](C1)C 34a_100000717927_100011215416 [0,1,0,1,0,0|2,0,0]=4 22030 B11R1.23 CCC(C)N1CCOC(C1)O 2230a_100000688207_100000758301 [0,1,0,1,0,0|2,0,0]=4 22031 B11R1.23 CCC(C)N1CCOC(C1)O 269982a_100000688207_100000758301 [0,1,0,1,0,0|2,0,0]=4 22032 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,1,0,1,0,0|1,0,1]=4 22033 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,1,0,1,0,0|1,0,1]=4 22034 B11R1.23 COC(C)N1CCCC(C1)O 269982a_100000211013_100009879195 [0,1,0,1,0,0|2,0,0]=4 22035 B11R1.23 C[C@H](CO)N1CCCC(C1)O 269982a_100000211013_100016084084 [0,1,0,1,0,0|2,0,0]=4 22036 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,1,0,1,0,0|1,0,1]=4 22037 B11R1.39 CC(CO)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100012180447 [0,1,0,1,0,0|2,0,0]=4 22038 B11R1.39 CCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747405 [0,1,0,1,0,0|1,0,1]=4 22039 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210414 [0,1,0,1,0,0|1,0,1]=4 22040 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210414 [0,1,0,1,0,0|1,0,1]=4 22041 B11R1.39 CCC(C)CN1CCC(C1)O 2230a_100011215560_100000748023 [0,1,0,1,0,0|1,0,0]=3 22042 B11R1.39 CCC(C)CN1CCC(C1)O 269982a_100011215560_100000748023 [0,1,0,1,0,0|1,0,0]=3 22043 B11R1.39 CCC(C)CN1CCC(C1)O 270004a_100011215560_100000243153 [0,1,0,1,0,0|1,0,0]=3 22044 B11R1.39 CCC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000748023 [0,1,0,1,0,0|2,0,0]=4 22045 B11R1.39 CCC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000748023 [0,1,0,1,0,0|2,0,0]=4 22046 B11R1.39 CCC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000243153 [0,1,0,1,0,0|2,0,0]=4 22047 B11R1.39 CCC(C)CN1CC[C@@H](C1)F 34a_100015203821_100000748023 [0,1,0,1,0,0|2,0,0]=4 22048 B11R1.39 CCC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 22049 B11R1.39 CCC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 22050 B11R1.39 CCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000243153 [0,1,0,1,0,0|2,0,0]=4 22051 B11R1.39 CCC(C)CN1CC[C@H](C1)C 34a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 22052 B11R1.39 CCC(C)NC1CCC(C1)C 270004a_100000209981_100011215218 [0,1,0,1,0,0|2,0,0]=4 22053 B11R1.39 CCC(C)NC1CCC(C1)O 270004a_100000209981_100012614533 [0,1,0,1,0,0|1,0,0]=3 22054 B11R1.39 CCC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000758301 [0,1,0,1,0,0|1,0,0]=3 22055 B11R1.39 CCC(C)OC1CCC(C1)C 34a_100000698185_100011215416 [0,1,0,1,0,0|2,0,0]=4 22056 B11R1.39 CCC(O)CN1CCC(C1)O 2230a_100011215560_100011218378 [0,1,0,1,0,0|1,0,0]=3 22057 B11R1.39 CCC(O)CN1CCC(C1)O 269982a_100011215560_100011218378 [0,1,0,1,0,0|1,0,0]=3 22058 B11R1.39 CCC(O)CN1CC[C@@H](C1)F 2230a_100015203821_100011218378 [0,1,0,1,0,0|2,0,0]=4 22059 B11R1.39 CCC(O)CN1CC[C@@H](C1)F 269982a_100015203821_100011218378 [0,1,0,1,0,0|2,0,0]=4 22060 B11R1.39 CCC(O)CN1CC[C@@H](C1)F 34a_100015203821_100011218378 [0,1,0,1,0,0|2,0,0]=4 22061 B11R1.39 CCC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218378 [0,1,0,1,0,0|2,0,0]=4 22062 B11R1.39 CCC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218378 [0,1,0,1,0,0|2,0,0]=4 22063 B11R1.39 CCC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218378 [0,1,0,1,0,0|2,0,0]=4 22064 B11R1.39 CC[C@H](C)CN1CCC(C1)O 2230a_100011215560_100009816398 [0,1,0,1,0,0|1,0,0]=3 22065 B11R1.39 CC[C@H](C)CN1CCC(C1)O 269982a_100011215560_100009816398 [0,1,0,1,0,0|1,0,0]=3 22066 B11R1.39 CC[C@H](C)CN1CC[C@@H](C1)F 2230a_100015203821_100009816398 [0,1,0,1,0,0|2,0,0]=4 22067 B11R1.39 CC[C@H](C)CN1CC[C@@H](C1)F 269982a_100015203821_100009816398 [0,1,0,1,0,0|2,0,0]=4 22068 B11R1.39 CC[C@H](C)CN1CC[C@@H](C1)F 34a_100015203821_100009816398 [0,1,0,1,0,0|2,0,0]=4 22069 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 2230a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 22070 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 269982a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 22071 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 34a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 22072 B11R1.39 C[C@@H](CO)CN1CCC(C1)O 2230a_100011215560_100000059175 [0,1,0,1,0,0|2,0,0]=4 22073 B11R1.39 C[C@@H](CO)CN1CCC(C1)O 269982a_100011215560_100000059175 [0,1,0,1,0,0|2,0,0]=4 22074 B11R1.39 C[C@H](CF)NC1CCC(C1)O 270004a_100102880703_100012614533 [0,1,0,1,0,0|2,0,0]=4 22075 B11R1.39 C[C@H](CO)NC1CCC(C1)O 270004a_100000737577_100012614533 [0,1,0,1,0,0|2,0,0]=4 22076 B11R1.39 OC1CCN(C1)C[C@@H](O)CF 2230a_100011215560_100015614560 [0,1,0,1,0,0|2,0,0]=4 22077 B11R1.39 OCC(O)CN1CCC(C1)O 2230a_100011215560_100011219619 [0,1,0,1,0,0|2,0,0]=4 22078 B11R1.39 OC[C@H](O)CN1CCC(C1)O 2230a_100011215560_100009815848 [0,1,0,1,0,0|2,0,0]=4 22079 B11R1.75 C=C(C)CCN1CCC(C1)O 2230a_100011215560_100000730704 [0,1,0,1,0,0|1,0,1]=4 22080 B11R1.75 C=C(C)CCN1CCC(C1)O 269982a_100011215560_100000730704 [0,1,0,1,0,0|1,0,1]=4 22081 B11R1.75 C=C(C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000748629 [0,1,0,1,0,0|1,0,1]=4 22082 B11R1.75 CC(=O)CCN1CCC(C1)O 269982a_100011215560_100000053229 [0,1,0,1,0,0|1,0,1]=4 22083 B11R1.75 CC(C)CCN1CCC(C1)O 2230a_100011215560_100000210312 [0,1,0,1,0,0|1,0,0]=3 22084 B11R1.75 CC(C)CCN1CCC(C1)O 269982a_100011215560_100000210312 [0,1,0,1,0,0|1,0,0]=3 22085 B11R1.75 CC(C)CCN1CC[C@@H](C1)F 2230a_100015203821_100000210312 [0,1,0,1,0,0|2,0,0]=4 22086 B11R1.75 CC(C)CCN1CC[C@@H](C1)F 269982a_100015203821_100000210312 [0,1,0,1,0,0|2,0,0]=4 22087 B11R1.75 CC(C)CCN1CC[C@@H](C1)F 34a_100015203821_100000210312 [0,1,0,1,0,0|2,0,0]=4 22088 B11R1.75 CC(C)CCN1CC[C@H](C1)C 2230a_100016987628_100000210312 [0,1,0,1,0,0|2,0,0]=4 22089 B11R1.75 CC(C)CCN1CC[C@H](C1)C 269982a_100016987628_100000210312 [0,1,0,1,0,0|2,0,0]=4 22090 B11R1.75 CC(C)CCN1CC[C@H](C1)C 34a_100016987628_100000210312 [0,1,0,1,0,0|2,0,0]=4 22091 B11R1.75 CC(C)CNC1CCC(C1)C 270004a_100000210953_100011215218 [0,1,0,1,0,0|2,0,0]=4 22092 B11R1.75 CC(C)CNC1CCC(C1)O 270004a_100000210953_100012614533 [0,1,0,1,0,0|1,0,0]=3 22093 B11R1.75 CC(C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210760 [0,1,0,1,0,0|1,0,0]=3 22094 B11R1.75 CC(C)CN[C@H]1CC[C@H](C1)O 270004a_100015195300_100000210432 [0,1,0,1,0,0|1,0,0]=3 22095 B11R1.75 CC(C)COC1CCC(C1)C 34a_100000698185_100000210624 [0,1,0,1,0,0|2,0,0]=4 22096 B11R1.75 CC(C)OCN1CCC(C1)O 2230a_100011215560_100000709892 [0,1,0,1,0,0|2,0,0]=4 22097 B11R1.75 CC(C)OCN1CCC(C1)O 269982a_100011215560_100000709892 [0,1,0,1,0,0|2,0,0]=4 22098 B11R1.75 CC(O)CCN1CCC(C1)O 2230a_100011215560_100012276601 [0,1,0,1,0,0|1,0,0]=3 22099 B11R1.75 CC(O)CCN1CCC(C1)O 269982a_100011215560_100012276601 [0,1,0,1,0,0|1,0,0]=3 22100 B11R1.75 CC(O)CCN1CC[C@@H](C1)F 2230a_100015203821_100012276601 [0,1,0,1,0,0|1,0,0]=3 22101 B11R1.75 CC(O)CCN1CC[C@@H](C1)F 269982a_100015203821_100012276601 [0,1,0,1,0,0|1,0,0]=3 22102 B11R1.75 CC(O)CCN1CC[C@@H](C1)F 34a_100015203821_100012276601 [0,1,0,1,0,0|1,0,0]=3 22103 B11R1.75 CC(O)CCN1CC[C@H](C1)C 2230a_100016987628_100012276601 [0,1,0,1,0,0|1,0,0]=3 22104 B11R1.75 CC(O)CCN1CC[C@H](C1)C 269982a_100016987628_100012276601 [0,1,0,1,0,0|1,0,0]=3 22105 B11R1.75 CC(O)CCN1CC[C@H](C1)C 34a_100016987628_100012276601 [0,1,0,1,0,0|1,0,0]=3 22106 B11R1.75 CC(O)CNC1CCC(C1)C 270004a_100000210904_100011215218 [0,1,0,1,0,0|1,0,0]=3 22107 B11R1.75 CC(O)CNC1CCC(C1)O 270004a_100000210904_100012614533 [0,1,0,1,0,0|1,0,0]=3 22108 B11R1.75 CC(O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218427 [0,1,0,1,0,0|1,0,0]=3 22109 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,1,0,1,0,0|1,0,1]=4 22110 B11R1.75 CC(O)COC1CCC(C1)C 34a_100000698185_100011218427 [0,1,0,1,0,0|1,0,0]=3 22111 B11R1.75 CC(O)CSC1CCN(C1)C 62a_100011218427_200012183744 [0,1,0,1,0,0|2,0,0]=4 22112 B11R1.75 CC1CCC(C1)OC[C@@H](C)O 34a_100000698185_100009817552 [0,1,0,1,0,0|1,0,0]=3 22113 B11R1.75 CN(C)CCN1CCC(C1)O 269982a_100011215560_100000755713 [0,1,0,1,0,0|2,0,0]=4 22114 B11R1.75 C[C@@H](O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009817552 [0,1,0,1,0,0|1,0,0]=3 22115 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,1,0,1,0,0|1,0,1]=4 22116 B11R1.75 C[C@@H](O)CSC1CCN(C1)C 62a_100009817552_200012183744 [0,1,0,1,0,0|2,0,0]=4 22117 B11R1.75 OC1CCC(C1)NCC(F)F 270004a_100000765723_100012614533 [0,1,0,1,0,0|2,0,0]=4 22118 B11R1.75 O[C@@H]1CC[C@@H](C1)NCC(F)F 2230a_100015195300_100011934356 [0,1,0,1,0,0|2,0,0]=4 22119 B11R1.147 CC(C)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210312 [0,1,0,1,0,0|2,0,0]=4 22120 B11R1.147 CC(C)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210312 [0,1,0,1,0,0|2,0,0]=4 22121 B11R1.147 CC(O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012276601 [0,1,0,1,0,0|1,0,0]=3 22122 B11R1.147 CC(O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100012276601 [0,1,0,1,0,0|1,0,0]=3 22123 B11R1.224 CC(CO)NCC1CC(C1)O 2230a_100016992100_100012180447 [0,1,0,1,0,0|2,0,0]=4 22124 B11R1.224 CCC(=O)NCC1CC(C1)O 11a_100016992100_100000210414 [0,1,0,1,0,0|1,0,1]=4 22125 B11R1.224 CCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210414 [0,1,0,1,0,0|1,0,1]=4 22126 B11R1.224 CCC(C)CNC1CC(C1)F 2230a_100016993743_100000748023 [0,1,0,1,0,0|2,0,0]=4 22127 B11R1.224 CCC(C)CNC1CC(C1)F 270004a_100016993743_100000243153 [0,1,0,1,0,0|2,0,0]=4 22128 B11R1.224 CCC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748023 [0,1,0,1,0,0|1,0,0]=3 22129 B11R1.224 CCC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000243153 [0,1,0,1,0,0|1,0,0]=3 22130 B11R1.224 CCC(C)NCC1CC(C1)O 2230a_100016992100_100000758301 [0,1,0,1,0,0|1,0,0]=3 22131 B11R1.224 CCC(C)OCC1CC(C1)Cl 34a_100009874164_100011215416 [0,1,0,1,0,0|2,0,0]=4 22132 B11R1.224 CCC(O)CNC1CC(C1)F 2230a_100016993743_100011218378 [0,1,0,1,0,0|2,0,0]=4 22133 B11R1.224 CCC(O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218378 [0,1,0,1,0,0|1,0,0]=3 22134 B11R1.224 CC[C@H](C)CNC1CC(C1)F 2230a_100016993743_100009816398 [0,1,0,1,0,0|2,0,0]=4 22135 B11R1.224 CC[C@H](C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009816398 [0,1,0,1,0,0|1,0,0]=3 22136 B11R1.224 C[C@@H](CO)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000059175 [0,1,0,1,0,0|2,0,0]=4 22137 B11R1.224 OCC(O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011219619 [0,1,0,1,0,0|2,0,0]=4 22138 B11R1.224 OC[C@H](O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009815848 [0,1,0,1,0,0|2,0,0]=4 22139 B11R1.224 O[C@@H](CF)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100015614560 [0,1,0,1,0,0|2,0,0]=4 22140 B11R1.227 CCC(C)N1CCCC1(C)C 2230a_100000761399_100000758301 [0,1,0,1,0,0|2,0,0]=4 22141 B11R1.227 CCC(C)N1CCCC1(C)C 269982a_100000761399_100000758301 [0,1,0,1,0,0|2,0,0]=4 22142 B11R1.227 CCC(C)N1CCCC1(C)C 34a_100000761399_100011215416 [0,1,0,1,0,0|2,0,0]=4 22143 B11R1.235 C=CC(O)COCC1CC1C 34a_100000744939_100000730141 [0,1,0,1,0,0|1,0,1]=4 22144 B11R1.235 C=CC(O)COCC1CC1C 7a_100000744939_100000730141 [0,1,0,1,0,0|1,0,1]=4 22145 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,1,0,1,0,0|1,0,0]=3 22146 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,1,0,1,0,0|1,0,0]=3 22147 B11R1.235 CC1CC1COC[C@@H](C)CO 34a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 22148 B11R1.235 CC1CC1COC[C@@H](C)CO 7a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 22149 B11R1.235 CC1CC1COC[C@@H](O)CF 34a_100000744939_100015614560 [0,1,0,1,0,0|1,0,0]=3 22150 B11R1.235 CC1CC1COC[C@@H](O)CF 7a_100000744939_100015614560 [0,1,0,1,0,0|1,0,0]=3 22151 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,1,0,1,0,0|1,0,0]=3 22152 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,1,0,1,0,0|1,0,0]=3 22153 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,1,0,1,0,0|2,0,0]=4 22154 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,1,0,1,0,0|2,0,0]=4 22155 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,1,0,1,0,0|1,0,0]=3 22156 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,1,0,1,0,0|1,0,0]=3 22157 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,1,0,1,0,0|2,0,0]=4 22158 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,1,0,1,0,0|2,0,0]=4 22159 B11R1.237 C=CC(C)COCCC1CC1 34a_100011215527_100000694398 [0,1,0,1,0,0|2,0,0]=4 22160 B11R1.237 C=CC(C)COCCC1CC1 7a_100011215527_100000764125 [0,1,0,1,0,0|2,0,0]=4 22161 B11R1.237 C=CC(O)CNCCC1CC1 34a_100000764129_100000730141 [0,1,0,1,0,0|1,0,1]=4 22162 B11R1.237 C=CC(O)COCCC1CC1 34a_100000754188_100000730141 [0,1,0,1,0,0|1,0,1]=4 22163 B11R1.237 C=CC(O)COCCC1CC1 7a_100000754188_100000730141 [0,1,0,1,0,0|1,0,1]=4 22164 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000730141_100000764125 [0,1,0,1,0,0|1,0,1]=4 22165 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000764125_100000730141 [0,1,0,1,0,0|1,0,1]=4 22166 B11R1.237 CC(CF)OCCCC1CO1 34a_100016041109_100000733510 [0,1,0,1,0,0|2,0,0]=4 22167 B11R1.237 CC(CF)OCCCC1CO1 7a_100016041109_100000733510 [0,1,0,1,0,0|2,0,0]=4 22168 B11R1.237 CC(CN)COCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|2,0,0]=4 22169 B11R1.237 CC(CN)COCCC1CO1 34a_100000744482_100000732470 [0,1,0,1,0,0|2,0,0]=4 22170 B11R1.237 CC(CN)OCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|2,0,0]=4 22171 B11R1.237 CC(CO)CCNCC1CC1 2230a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 22172 B11R1.237 CC(CO)CCNCC1CC1 269862a_106354213184_100000741477 [0,1,0,1,0,0|1,0,0]=3 22173 B11R1.237 CC(CO)CCNCC1CC1 34a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 22174 B11R1.237 CC(CO)CCNCC1CO1 2230a_106354213184_100011216344 [0,1,0,1,0,0|2,0,0]=4 22175 B11R1.237 CC(CO)CCNCC1CO1 34a_106354213184_102125554688 [0,1,0,1,0,0|2,0,0]=4 22176 B11R1.237 CC(CO)CNCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|1,0,0]=3 22177 B11R1.237 CC(CO)CNCCC1CO1 34a_100000744482_100000732470 [0,1,0,1,0,0|2,0,0]=4 22178 B11R1.237 CC(CO)OCCNC1CC1 34a_100000738766_100012180447 [0,1,0,1,0,0|2,0,0]=4 22179 B11R1.237 CC(CO)SCCCC1CO1 62a_100012180447_100000733510 [0,1,0,1,0,0|2,0,0]=4 22180 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,1,0,1,0,0|1,0,1]=4 22181 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,1,0,1,0,0|1,0,1]=4 22182 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,1,0,1,0,0|1,0,1]=4 22183 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,1,0,1,0,0|2,0,0]=4 22184 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,1,0,1,0,0|2,0,0]=4 22185 B11R1.237 CCC(C)CCNCC1CO1 2230a_100020591266_100011216344 [0,1,0,1,0,0|1,0,0]=3 22186 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,1,0,1,0,0|2,0,0]=4 22187 B11R1.237 CCC(C)CCOCC1CO1 7a_100011215188_102125554688 [0,1,0,1,0,0|1,0,0]=3 22188 B11R1.237 CCC(C)CCOCC1CS1 7a_100011215188_100000031435 [0,1,0,1,0,0|1,1,0]=4 22189 B11R1.237 CCC(C)CCOC[C@@H]1CO1 7a_100011215188_100000745022 [0,1,0,1,0,0|1,0,0]=3 22190 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,1,0,1,0,0|2,0,0]=4 22191 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,1,0,1,0,0|2,0,0]=4 22192 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,1,0,1,0,0|2,0,0]=4 22193 B11R1.237 CCC(C)CNCCC1CO1 2230a_100020588543_100000732470 [0,1,0,1,0,0|1,0,0]=3 22194 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,1,0,1,0,0|2,0,0]=4 22195 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,1,0,1,0,0|2,0,0]=4 22196 B11R1.237 CCC(C)COCC[C@@H]1CO1 34a_100009820653_100000748023 [0,1,0,1,0,0|1,0,0]=3 22197 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,1,0,1,0,0|2,0,0]=4 22198 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,1,0,1,0,0|2,0,0]=4 22199 B11R1.237 CCC(C)CSCCC1CO1 62a_100000732470_100000748023 [0,1,0,1,0,0|1,0,0]=3 22200 B11R1.237 CCC(C)CSCCC1CO1 62a_100000748023_100000732470 [0,1,0,1,0,0|1,0,0]=3 22201 B11R1.237 CCC(C)NCCCC1CO1 2230a_100000209981_100000733510 [0,1,0,1,0,0|1,0,0]=3 22202 B11R1.237 CCC(C)OCCCC1CO1 7a_100000210228_100000733510 [0,1,0,1,0,0|1,0,0]=3 22203 B11R1.237 CCC(C)SCCCC1CO1 62a_100000733510_100000758301 [0,1,0,1,0,0|1,0,0]=3 22204 B11R1.237 CCC(C)SCCCC1CO1 62a_100000758301_100000733510 [0,1,0,1,0,0|1,0,0]=3 22205 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,1,0,1,0,0|1,0,0]=3 22206 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,1,0,1,0,0|1,0,0]=3 22207 B11R1.237 CCC(O)CNCCC1CO1 2230a_100011218483_100000732470 [0,1,0,1,0,0|1,0,0]=3 22208 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,1,0,1,0,0|1,0,0]=3 22209 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,1,0,1,0,0|1,0,0]=3 22210 B11R1.237 CCC(O)COCC[C@@H]1CO1 34a_100009820653_100011218378 [0,1,0,1,0,0|1,0,0]=3 22211 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,1,0,1,0,0|1,0,0]=3 22212 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,1,0,1,0,0|1,0,0]=3 22213 B11R1.237 CCC(O)CSCCC1CO1 62a_100000732470_100011218378 [0,1,0,1,0,0|1,0,0]=3 22214 B11R1.237 CCC(O)CSCCC1CO1 62a_100011218378_100000732470 [0,1,0,1,0,0|1,0,0]=3 22215 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,1,0,1,0,0|2,0,0]=4 22216 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,1,0,1,0,0|2,0,0]=4 22217 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,1,0,1,0,0|2,0,0]=4 22218 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,1,0,1,0,0|2,0,0]=4 22219 B11R1.237 CC[C@H](C)COCCC1CO1 7a_100009816381_100000732470 [0,1,0,1,0,0|1,0,0]=3 22220 B11R1.237 CC[C@H](C)COCC[C@@H]1CO1 34a_100009820653_100009816398 [0,1,0,1,0,0|1,0,0]=3 22221 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,1,0,1,0,0|2,0,0]=4 22222 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,1,0,1,0,0|2,0,0]=4 22223 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100000732470_100009816398 [0,1,0,1,0,0|1,0,0]=3 22224 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100009816398_100000732470 [0,1,0,1,0,0|1,0,0]=3 22225 B11R1.237 COC(C)CCOCC1CC1 7a_100000764861_100000742324 [0,1,0,1,0,0|1,0,0]=3 22226 B11R1.237 COC(C)CCOCC1CO1 7a_100000764861_102125554688 [0,1,0,1,0,0|2,0,0]=4 22227 B11R1.237 COC(C)CCOCC1CS1 7a_100000764861_100000031435 [0,1,0,1,0,0|2,0,0]=4 22228 B11R1.237 COC(C)CCOC[C@@H]1CO1 7a_100000764861_100000745022 [0,1,0,1,0,0|2,0,0]=4 22229 B11R1.237 COC(C)COCCC1CC1 34a_100000690652_100000694398 [0,1,0,1,0,0|1,0,0]=3 22230 B11R1.237 COC(C)COCCC1CO1 34a_100000690652_100000732470 [0,1,0,1,0,0|2,0,0]=4 22231 B11R1.237 COC(C)SCCCC1CO1 62a_100000733510_100009879195 [0,1,0,1,0,0|2,0,0]=4 22232 B11R1.237 COC(C)SCCCC1CO1 62a_100009879195_100000733510 [0,1,0,1,0,0|2,0,0]=4 22233 B11R1.237 CO[C@H](C)CNCCC1CC1 2230a_100020591295_100000694398 [0,1,0,1,0,0|1,0,0]=3 22234 B11R1.237 CO[C@H](C)CNCCC1CO1 2230a_100020591295_100000732470 [0,1,0,1,0,0|2,0,0]=4 22235 B11R1.237 C[C@@H](CN)CCCOC1CC1 34a_100160569302_100000211595 [0,1,0,1,0,0|2,0,0]=4 22236 B11R1.237 C[C@@H](CO)CNCCC1CC1 34a_100000764129_100000059175 [0,1,0,1,0,0|1,0,0]=3 22237 B11R1.237 C[C@@H](CO)COCCC1CC1 34a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 22238 B11R1.237 C[C@@H](CO)COCCC1CC1 7a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 22239 B11R1.237 C[C@@H](CO)COCC[C@@H]1CO1 34a_100009820653_100000059175 [0,1,0,1,0,0|2,0,0]=4 22240 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000059175_100000764125 [0,1,0,1,0,0|1,0,0]=3 22241 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000764125_100000059175 [0,1,0,1,0,0|1,0,0]=3 22242 B11R1.237 C[C@@H](CO)CSCCC1CO1 62a_100000059175_100000732470 [0,1,0,1,0,0|2,0,0]=4 22243 B11R1.237 C[C@@H](CO)CSCCC1CO1 62a_100000732470_100000059175 [0,1,0,1,0,0|2,0,0]=4 22244 B11R1.237 C[C@H](CO)NCCCC1CO1 2230a_100000737577_100000733510 [0,1,0,1,0,0|2,0,0]=4 22245 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100000733510_100016084084 [0,1,0,1,0,0|2,0,0]=4 22246 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100016084084_100000733510 [0,1,0,1,0,0|2,0,0]=4 22247 B11R1.237 ClCC(Cl)COCCC1CC1 34a_100000033668_100000694398 [0,1,0,1,0,0|2,0,0]=4 22248 B11R1.237 ClCC(Cl)COCCC1CO1 34a_100000033668_100000732470 [0,1,0,1,0,0|2,0,0]=4 22249 B11R1.237 NC[C@@H](F)COCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|2,0,0]=4 22250 B11R1.237 NC[C@@H](F)COCCC1CO1 34a_100015665980_100000732470 [0,1,0,1,0,0|2,0,0]=4 22251 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,1,0,1,0,0|1,0,0]=3 22252 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,1,0,1,0,0|1,0,0]=3 22253 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,1,0,1,0,0|1,0,0]=3 22254 B11R1.237 OCC(O)COCC[C@@H]1CO1 34a_100009820653_100011219619 [0,1,0,1,0,0|2,0,0]=4 22255 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,1,0,1,0,0|1,0,0]=3 22256 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,1,0,1,0,0|1,0,0]=3 22257 B11R1.237 OCC(O)CSCCC1CO1 62a_100000732470_100011219619 [0,1,0,1,0,0|2,0,0]=4 22258 B11R1.237 OCC(O)CSCCC1CO1 62a_100011219619_100000732470 [0,1,0,1,0,0|2,0,0]=4 22259 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,1,0,1,0,0|1,0,0]=3 22260 B11R1.237 OC[C@@H](O)CNCCC1CO1 2230a_100020644852_100000732470 [0,1,0,1,0,0|2,0,0]=4 22261 B11R1.237 OC[C@H](F)CNCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|2,0,0]=4 22262 B11R1.237 OC[C@H](F)CNCCC1CO1 34a_100015665980_100000732470 [0,1,0,1,0,0|2,0,0]=4 22263 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,1,0,1,0,0|1,0,0]=3 22264 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,1,0,1,0,0|1,0,0]=3 22265 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,1,0,1,0,0|1,0,0]=3 22266 B11R1.237 OC[C@H](O)COCC[C@@H]1CO1 34a_100009820653_100009815848 [0,1,0,1,0,0|2,0,0]=4 22267 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,1,0,1,0,0|1,0,0]=3 22268 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,1,0,1,0,0|1,0,0]=3 22269 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100000732470_100009815848 [0,1,0,1,0,0|2,0,0]=4 22270 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100009815848_100000732470 [0,1,0,1,0,0|2,0,0]=4 22271 B11R1.237 O[C@@H](CF)CNCCC1CC1 34a_100000764129_100015614560 [0,1,0,1,0,0|1,0,0]=3 22272 B11R1.237 O[C@@H](CF)COCCC1CC1 34a_100000754188_100015614560 [0,1,0,1,0,0|1,0,0]=3 22273 B11R1.237 O[C@@H](CF)COCCC1CC1 7a_100000754188_100015614560 [0,1,0,1,0,0|1,0,0]=3 22274 B11R1.237 O[C@@H](CF)COCC[C@@H]1CO1 34a_100009820653_100015614560 [0,1,0,1,0,0|2,0,0]=4 22275 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100000764125_100015614560 [0,1,0,1,0,0|1,0,0]=3 22276 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100015614560_100000764125 [0,1,0,1,0,0|1,0,0]=3 22277 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100000732470_100015614560 [0,1,0,1,0,0|2,0,0]=4 22278 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100015614560_100000732470 [0,1,0,1,0,0|2,0,0]=4 22279 B11R1.262 CC(O)CCN1CC(C1)CF 269982a_100010363649_100012276601 [0,1,0,1,0,0|2,0,0]=4 22280 B11R1.262 CC(O)CCN1CC(C1)CF 34a_100010363649_100012276601 [0,1,0,1,0,0|2,0,0]=4 22281 B11R1.262 CC(O)CCN1CC(C1)CO 269982a_100016987283_100012276601 [0,1,0,1,0,0|2,0,0]=4 22282 B11R1.262 CC(O)CCN1CC(C1)CO 34a_100016987283_100012276601 [0,1,0,1,0,0|2,0,0]=4 22283 B11R1.262 CC(O)CNC1CC(C1)CO 270004a_100000210904_100000101936 [0,1,0,1,0,0|2,0,0]=4 22284 B11R1.262 CC(O)CSC1CC(C1)CO 62a_100009874164_100011218427 [0,1,0,1,0,0|2,0,0]=4 22285 B11R1.262 CC(O)CSC1CC(C1)CO 62a_100011218427_100009874164 [0,1,0,1,0,0|2,0,0]=4 22286 B11R1.262 CCC1CN(C1)CCC(C)C 2230a_100015205115_100000210312 [0,1,0,1,0,0|2,0,0]=4 22287 B11R1.262 CCC1CN(C1)CCC(C)C 269982a_100015205115_100000210312 [0,1,0,1,0,0|2,0,0]=4 22288 B11R1.262 CCC1CN(C1)CCC(C)O 2230a_100015205115_100012276601 [0,1,0,1,0,0|1,0,0]=3 22289 B11R1.262 CCC1CN(C1)CCC(C)O 269982a_100015205115_100012276601 [0,1,0,1,0,0|1,0,0]=3 22290 B11R1.262 CCN1CC(C1)NCC(C)O 2230a_200015199589_100011218427 [0,1,0,1,0,0|2,0,0]=4 22291 B11R1.262 CCN1CC(C1)NC[C@@H](C)O 2230a_200015199589_100009817552 [0,1,0,1,0,0|2,0,0]=4 22292 B11R1.262 COC1CN(C1)CCC(C)O 269982a_100000755009_100012276601 [0,1,0,1,0,0|2,0,0]=4 22293 B11R1.262 CO[C@H]1C[C@@H](C1)NCC(C)O 2230a_100121570643_100011218427 [0,1,0,1,0,0|2,0,0]=4 22294 B11R1.262 CO[C@H]1C[C@@H](C1)NC[C@@H](C)O 2230a_100121570643_100009817552 [0,1,0,1,0,0|2,0,0]=4 22295 B11R1.262 CSC1CN(C1)CCC(C)O 269982a_100016990038_100012276601 [0,1,0,1,0,0|2,0,0]=4 22296 B11R1.262 C[C@@H](O)CSC1CC(C1)CO 62a_100009817552_100009874164 [0,1,0,1,0,0|2,0,0]=4 22297 B11R1.262 C[C@@H](O)CSC1CC(C1)CO 62a_100009874164_100009817552 [0,1,0,1,0,0|2,0,0]=4 22298 B11R1.266 CC(O)C1CCCN(C1)CF 269982a_100000740858_100015361967 [0,1,0,1,0,0|2,0,0]=4 22299 B11R1.266 CC(O)C1CCCN(C1)CF 34a_100000740858_100015361967 [0,1,0,1,0,0|2,0,0]=4 22300 B11R1.266 CCC1CCCC(C1)N(C)C 270004a_100102631434_100000756783 [0,1,0,1,0,0|2,0,0]=4 22301 B11R1.266 CCN1CCCC(C1)C(C)O 2230a_100000740858_100000210202 [0,1,0,1,0,0|1,0,0]=3 22302 B11R1.266 CCN1CCCC(C1)C(C)O 269982a_100000740858_100000204670 [0,1,0,1,0,0|1,0,0]=3 22303 B11R1.266 CCN1CCCC(C1)C(C)O 34a_100000740858_100000210202 [0,1,0,1,0,0|1,0,0]=3 22304 B11R1.717 CC(C)CCCNC1(CC1)C 2230a_100000757604_100011214892 [0,1,0,1,0,0|2,0,0]=4 22305 B11R1.717 CC(C)CCCOC1(CC1)C 7a_100011725673_100011214892 [0,1,0,1,0,0|2,0,0]=4 22306 B11R1.717 CC(C)CCNCC1(CC1)C 2230a_100000766693_100000210312 [0,1,0,1,0,0|2,0,0]=4 22307 B11R1.717 CC(C)CCNCC1(CC1)C 269862a_100000766693_100000185833 [0,1,0,1,0,0|2,0,0]=4 22308 B11R1.717 CC(C)CCNCC1(CC1)O 2230a_100011936951_100000210312 [0,1,0,1,0,0|2,0,0]=4 22309 B11R1.717 CC(C)CCNCC1(CC1)O 269862a_100011936951_100000185833 [0,1,0,1,0,0|2,0,0]=4 22310 B11R1.717 CC(C)CCOCC1(CC1)C 7a_100000698024_100000210626 [0,1,0,1,0,0|2,0,0]=4 22311 B11R1.717 CC(C)CCOCC1(CC1)F 34a_200000703853_100000210312 [0,1,0,1,0,0|2,0,0]=4 22312 B11R1.717 CC(C)CCOCC1(CC1)F 7a_200000703853_100000210626 [0,1,0,1,0,0|2,0,0]=4 22313 B11R1.717 CC(O)CCCNC1(CC1)C 2230a_100000757604_200000718107 [0,1,0,1,0,0|1,0,0]=3 22314 B11R1.717 CC(O)CCCOC1(CC1)C 7a_100011725673_200000718107 [0,1,0,1,0,0|1,0,0]=3 22315 B11R1.717 CC(O)CCNCC1(CC1)C 2230a_100000766693_100012276601 [0,1,0,1,0,0|1,0,0]=3 22316 B11R1.717 CC(O)CCNCC1(CC1)O 2230a_100011936951_100012276601 [0,1,0,1,0,0|1,0,0]=3 22317 B11R1.717 CC(O)CCOCC1(CC1)C 7a_100000698024_100012276601 [0,1,0,1,0,0|1,0,0]=3 22318 B11R1.717 CC(O)CCOCC1(CC1)F 34a_200000703853_100012276601 [0,1,0,1,0,0|1,0,0]=3 22319 B11R1.717 CC(O)CCOCC1(CC1)F 7a_200000703853_100012276601 [0,1,0,1,0,0|1,0,0]=3 22320 B11R1.717 CC(O)CCSCC1(CO1)C 62a_100000760498_100012276601 [0,1,0,1,0,0|2,0,0]=4 22321 B11R1.717 CC(O)CCSCC1(CO1)C 62a_100012276601_100000760498 [0,1,0,1,0,0|2,0,0]=4 22322 B11R1.858 CCC(C)OCC1CC1(C)C 34a_100000728257_100011215416 [0,1,0,1,0,0|2,0,0]=4 22323 B11R1.858 CCC(C)OCC1CC1(C)C 7a_100000728257_100000758301 [0,1,0,1,0,0|2,0,0]=4 22324 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 22325 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 22326 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 22327 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 22328 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 22329 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 22330 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,1,0,1,0,0|2,0,0]=4 22331 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,1,0,1,0,0|2,0,0]=4 22332 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,1,0,1,0,0|2,0,0]=4 22333 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,1,0,1,0,0|2,0,0]=4 22334 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,1,0,1,0,0|2,0,0]=4 22335 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,1,0,1,0,0|2,0,0]=4 22336 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,1,0,1,0,0|1,0,0]=3 22337 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,1,0,1,0,0|1,0,0]=3 22338 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,1,0,1,0,0|2,0,0]=4 22339 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,1,0,1,0,0|1,0,0]=3 22340 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 22341 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 22342 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,1,0,1,0,0|2,0,0]=4 22343 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 22344 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 22345 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,1,0,1,0,0|2,0,0]=4 22346 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,1,0,1,0,0|2,0,0]=4 22347 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 22348 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 22349 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,1,0,1,0,0|2,0,0]=4 22350 B11R1.1 CCOCN1CCC(CC1)O 269982a_100025773856_100000739092 [0,1,0,1,0,0|2,0,0]=4 22351 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,1,0,1,0,0|2,0,0]=4 22352 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,1,0,1,0,0|1,0,0]=3 22353 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,1,0,1,0,0|2,0,0]=4 22354 B11R1.1 COCCN1CCC(CC1)O 2230a_100025773856_100011201679 [0,1,0,1,0,0|2,0,0]=4 22355 B11R1.1 COCCN1CCC(CC1)O 269982a_100025773856_100000233755 [0,1,0,1,0,0|2,0,0]=4 22356 B11R1.1 CSCCN1CCC(CC1)O 2230a_100025773856_100000751147 [0,1,0,1,0,0|2,0,0]=4 22357 B11R1.1 CSCCN1CCC(CC1)O 269982a_100025773856_100000212216 [0,1,0,1,0,0|2,0,0]=4 22358 B11R1.1 OC1CCN(CC1)CCCF 2230a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 22359 B11R1.1 OC1CCN(CC1)CCCF 269982a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 22360 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [0,1,0,1,0,0|2,0,0]=4 22361 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [0,1,0,1,0,0|2,0,0]=4 22362 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [0,1,0,1,0,0|2,0,0]=4 22363 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,1,0,1,0,0|1,0,0]=3 22364 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,1,0,1,0,0|2,0,0]=4 22365 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 22366 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 22367 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 22368 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 22369 B11R1.25 C#CC(C)NCC1CCCC1 2230a_100000707721_100000740388 [0,1,0,1,0,0|2,0,0]=4 22370 B11R1.25 C#CC(C)NCC1CCCC1 34a_100000707721_100000740388 [0,1,0,1,0,0|2,0,0]=4 22371 B11R1.25 C#CC(C)NCC1CCCC1 34a_100000737975_200000035995 [0,1,0,1,0,0|2,0,0]=4 22372 B11R1.25 C#CC(C)OCC1CCCC1 34a_100000742336_200000035995 [0,1,0,1,0,0|2,0,0]=4 22373 B11R1.25 C#CC(C)SCC1CCCC1 62a_200000035995_100000740388 [0,1,0,1,0,0|2,0,0]=4 22374 B11R1.25 C#C[C@@H](C)OCC1CCCC1 34a_100009815206_100000740388 [0,1,0,1,0,0|2,0,0]=4 22375 B11R1.25 C#C[C@@H](C)OCC1CCCC1 7a_100009815206_100000740388 [0,1,0,1,0,0|2,0,0]=4 22376 B11R1.25 C=CC(C)COC1CCCC1 34a_100011215527_100000179811 [0,1,0,1,0,0|2,0,0]=4 22377 B11R1.25 C=CC(C)COC1CCCC1 7a_100011215527_100000179811 [0,1,0,1,0,0|2,0,0]=4 22378 B11R1.25 C=CC(C)OCC1CCCC1 34a_100000695699_100000740388 [0,1,0,1,0,0|2,0,0]=4 22379 B11R1.25 C=CC(C)SCC1CCCC1 62a_100011215867_100000740388 [0,1,0,1,0,0|2,0,0]=4 22380 B11R1.25 C=CC(O)CNC1CCCC1 2230a_100000211070_100000730141 [0,1,0,1,0,0|1,0,1]=4 22381 B11R1.25 C=CC(O)CNC1CCCC1 34a_100000211070_100000730141 [0,1,0,1,0,0|1,0,1]=4 22382 B11R1.25 C=CC(O)COC1CCCC1 34a_100000210269_100000730141 [0,1,0,1,0,0|1,0,1]=4 22383 B11R1.25 C=CC(O)COC1CCCC1 7a_100000210269_100000730141 [0,1,0,1,0,0|1,0,1]=4 22384 B11R1.25 C=CC(O)CSC1CCCC1 62a_100000730141_100000179811 [0,1,0,1,0,0|1,0,1]=4 22385 B11R1.25 C=CC(O)CSC1CCCC1 62a_100011217020_100000730141 [0,1,0,1,0,0|1,0,1]=4 22386 B11R1.25 CC(C#N)NCC1CCCC1 2230a_100000737613_100000740388 [0,1,0,1,0,0|2,0,0]=4 22387 B11R1.25 CC(C#N)NCC1CCCC1 2230a_100000737975_100000184139 [0,1,0,1,0,0|2,0,0]=4 22388 B11R1.25 CC(C#N)OCC1CCCC1 34a_100011218135_100000740388 [0,1,0,1,0,0|2,0,0]=4 22389 B11R1.25 CC(C#N)OCC1CCCC1 7a_100000742336_100000703298 [0,1,0,1,0,0|2,0,0]=4 22390 B11R1.25 CC(C#N)SCC1CCCC1 62a_100000703298_100000740388 [0,1,0,1,0,0|2,0,0]=4 22391 B11R1.25 CC(C#N)SCC1CCCC1 62a_100000740388_100000703298 [0,1,0,1,0,0|2,0,0]=4 22392 B11R1.25 CC(CF)OCC1CCCC1 34a_100016041109_100000740388 [0,1,0,1,0,0|2,0,0]=4 22393 B11R1.25 CC(CF)OCC1CCCC1 7a_100016041109_100000740388 [0,1,0,1,0,0|2,0,0]=4 22394 B11R1.25 CC(CN)COC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|2,0,0]=4 22395 B11R1.25 CC(CN)OCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|2,0,0]=4 22396 B11R1.25 CC(CO)CNC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|1,0,0]=3 22397 B11R1.25 CC(CO)CNC1CCOC1 34a_100000744482_100000690089 [0,1,0,1,0,0|2,0,0]=4 22398 B11R1.25 CC(CO)NCC1CCCC1 2230a_100000737975_100012180447 [0,1,0,1,0,0|1,0,0]=3 22399 B11R1.25 CC(CO)NCC1CCCC1 34a_100000737975_100012180447 [0,1,0,1,0,0|1,0,0]=3 22400 B11R1.25 CC(CO)NCC1CCOC1 2230a_100000737293_100012180447 [0,1,0,1,0,0|2,0,0]=4 22401 B11R1.25 CC(CO)NCC1CCOC1 34a_100000737293_100012180447 [0,1,0,1,0,0|2,0,0]=4 22402 B11R1.25 CC(CO)NC[C@@H]1CCCO1 2230a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 22403 B11R1.25 CC(CO)NC[C@@H]1CCCO1 34a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 22404 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,1,0,1,0,0|1,0,0]=3 22405 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,1,0,1,0,0|1,0,0]=3 22406 B11R1.25 CC(CO)OCC1CCCO1 34a_100000210270_100012180447 [0,1,0,1,0,0|2,0,0]=4 22407 B11R1.25 CC(CO)OCC1CCCO1 7a_100000210270_100012180447 [0,1,0,1,0,0|2,0,0]=4 22408 B11R1.25 CC(CO)OCC1CCNC1 34a_100000748654_100012180447 [0,1,0,1,0,0|2,0,0]=4 22409 B11R1.25 CC(CO)OCC1CCOC1 34a_100000740260_100012180447 [0,1,0,1,0,0|2,0,0]=4 22410 B11R1.25 CC(CO)OC[C@H]1CCCN1 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 22411 B11R1.25 CC(CO)SCC1CCCC1 62a_100012180447_100000740388 [0,1,0,1,0,0|1,0,0]=3 22412 B11R1.25 CC(CO)SCC1CCCO1 62a_100012180447_100000203698 [0,1,0,1,0,0|2,0,0]=4 22413 B11R1.25 CC(CO)SCC1CCOC1 62a_100012180447_100000702531 [0,1,0,1,0,0|2,0,0]=4 22414 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|0,0,2]=4 22415 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|0,0,2]=4 22416 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,1,0,1,0,0|2,0,0]=4 22417 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,1,0,1,0,0|2,0,0]=4 22418 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,1,0,1,0,0|2,0,0]=4 22419 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,1,0,1,0,0|2,0,0]=4 22420 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,1,0,1,0,0|2,0,0]=4 22421 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,1,0,1,0,0|2,0,0]=4 22422 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,1,0,1,0,0|2,0,0]=4 22423 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,1,0,1,0,0|2,0,0]=4 22424 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,1,0,1,0,0|2,0,0]=4 22425 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,1,0,1,0,0|2,0,0]=4 22426 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,1,0,1,0,0|2,0,0]=4 22427 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,1,0,1,0,0|2,0,0]=4 22428 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,1,0,1,0,0|2,0,0]=4 22429 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,1,0,1,0,0|2,0,0]=4 22430 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,1,0,1,0,0|2,0,0]=4 22431 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,1,0,1,0,0|2,0,0]=4 22432 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,1,0,1,0,0|2,0,0]=4 22433 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,1,0,1,0,0|2,0,0]=4 22434 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,1,0,1,0,0|1,0,0]=3 22435 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,1,0,1,0,0|1,0,0]=3 22436 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,1,0,1,0,0|1,0,0]=3 22437 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,1,0,1,0,0|1,0,0]=3 22438 B11R1.25 CCC(O)CNC1CCOC1 2230a_100011218483_100000731011 [0,1,0,1,0,0|2,0,0]=4 22439 B11R1.25 CCC(O)CNC1CCOC1 270004a_100011218483_100000752484 [0,1,0,1,0,0|2,0,0]=4 22440 B11R1.25 CCC(O)CNC1CCSC1 270004a_100011218483_100000212027 [0,1,0,1,0,0|2,0,0]=4 22441 B11R1.25 CCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218378 [0,1,0,1,0,0|2,0,0]=4 22442 B11R1.25 CCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218378 [0,1,0,1,0,0|2,0,0]=4 22443 B11R1.25 CCC(O)CN[C@H]1CCOC1 34a_100015188467_100011218378 [0,1,0,1,0,0|2,0,0]=4 22444 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,1,0,1,0,0|1,0,0]=3 22445 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,1,0,1,0,0|1,0,0]=3 22446 B11R1.25 CCC(O)COC1CCCO1 34a_100000085407_100011218378 [0,1,0,1,0,0|2,0,0]=4 22447 B11R1.25 CCC(O)COC1CCSC1 7a_100011232664_100011218378 [0,1,0,1,0,0|2,0,0]=4 22448 B11R1.25 CCC(O)CO[C@H]1CCOC1 34a_100000717292_100011218378 [0,1,0,1,0,0|2,0,0]=4 22449 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,1,0,1,0,0|1,0,0]=3 22450 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,1,0,1,0,0|1,0,0]=3 22451 B11R1.25 CCC(O)CSC1CCOC1 62a_100011218378_100000690089 [0,1,0,1,0,0|2,0,0]=4 22452 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 22453 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 22454 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,1,0,1,0,0|2,0,0]=4 22455 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,1,0,1,0,0|2,0,0]=4 22456 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,1,0,1,0,0|2,0,0]=4 22457 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,1,0,1,0,0|2,0,0]=4 22458 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,1,0,1,0,0|2,0,0]=4 22459 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,1,0,1,0,0|2,0,0]=4 22460 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,1,0,1,0,0|2,0,0]=4 22461 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,1,0,1,0,0|0,0,2]=4 22462 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,1,0,1,0,0|0,0,2]=4 22463 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,1,0,1,0,0|0,0,2]=4 22464 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,1,0,1,0,0|0,0,2]=4 22465 B11R1.25 COC(C)COC1CCCC1 34a_100000690652_100000179811 [0,1,0,1,0,0|1,0,0]=3 22466 B11R1.25 COC(C)COC1CCOC1 34a_100000690652_100000690089 [0,1,0,1,0,0|2,0,0]=4 22467 B11R1.25 COC(C)SCC1CCCC1 62a_100000740388_100009879195 [0,1,0,1,0,0|1,0,0]=3 22468 B11R1.25 COC(C)SCC1CCCC1 62a_100009879195_100000740388 [0,1,0,1,0,0|1,0,0]=3 22469 B11R1.25 COC(C)SCC1CCCO1 62a_100000203698_100009879195 [0,1,0,1,0,0|2,0,0]=4 22470 B11R1.25 COC(C)SCC1CCCO1 62a_100009879195_100000203698 [0,1,0,1,0,0|2,0,0]=4 22471 B11R1.25 COC(C)SCC1CCOC1 62a_100000702531_100009879195 [0,1,0,1,0,0|2,0,0]=4 22472 B11R1.25 COC(C)SCC1CCOC1 62a_100009879195_100000702531 [0,1,0,1,0,0|2,0,0]=4 22473 B11R1.25 CO[C@H](C)CNC1CCCC1 2230a_100020591295_100000179811 [0,1,0,1,0,0|1,0,0]=3 22474 B11R1.25 CO[C@H](C)CNC1CCCC1 270004a_100020591295_100000210133 [0,1,0,1,0,0|1,0,0]=3 22475 B11R1.25 CO[C@H](C)CNC1CCOC1 2230a_100020591295_100000731011 [0,1,0,1,0,0|2,0,0]=4 22476 B11R1.25 CO[C@H](C)CNC1CCOC1 270004a_100020591295_100000752484 [0,1,0,1,0,0|2,0,0]=4 22477 B11R1.25 CO[C@H](C)CNC1CCSC1 270004a_100020591295_100000212027 [0,1,0,1,0,0|2,0,0]=4 22478 B11R1.25 C[C@@H](CO)CNC1CCCC1 2230a_100000211070_100000059175 [0,1,0,1,0,0|1,0,0]=3 22479 B11R1.25 C[C@@H](CO)CNC1CCCC1 34a_100000211070_100000059175 [0,1,0,1,0,0|1,0,0]=3 22480 B11R1.25 C[C@@H](CO)CN[C@@H]1CCOC1 2230a_200015188469_100000059175 [0,1,0,1,0,0|2,0,0]=4 22481 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 2230a_100015188467_100000059175 [0,1,0,1,0,0|2,0,0]=4 22482 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 34a_100015188467_100000059175 [0,1,0,1,0,0|2,0,0]=4 22483 B11R1.25 C[C@@H](CO)COC1CCCC1 34a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 22484 B11R1.25 C[C@@H](CO)COC1CCCC1 7a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 22485 B11R1.25 C[C@@H](CO)COC1CCCO1 34a_100000085407_100000059175 [0,1,0,1,0,0|2,0,0]=4 22486 B11R1.25 C[C@@H](CO)COC1CCSC1 7a_100011232664_100000059175 [0,1,0,1,0,0|2,0,0]=4 22487 B11R1.25 C[C@@H](CO)CO[C@H]1CCOC1 34a_100000717292_100000059175 [0,1,0,1,0,0|2,0,0]=4 22488 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100000059175_100000179811 [0,1,0,1,0,0|1,0,0]=3 22489 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100011217020_100000059175 [0,1,0,1,0,0|1,0,0]=3 22490 B11R1.25 C[C@@H](CO)CSC1CCOC1 62a_100000059175_100000690089 [0,1,0,1,0,0|2,0,0]=4 22491 B11R1.25 C[C@H](CF)NCC1CCCC1 269862a_100102880703_100000746403 [0,1,0,1,0,0|2,0,0]=4 22492 B11R1.25 C[C@H](CO)NCC1CCCC1 2230a_100000737577_100000740388 [0,1,0,1,0,0|1,0,0]=3 22493 B11R1.25 C[C@H](CO)NCC1CCCC1 269862a_100000737577_100000746403 [0,1,0,1,0,0|1,0,0]=3 22494 B11R1.25 C[C@H](CO)NCC1CCCO1 2230a_100000737577_100000203698 [0,1,0,1,0,0|2,0,0]=4 22495 B11R1.25 C[C@H](CO)NCC1CCOC1 2230a_100000737577_100000702531 [0,1,0,1,0,0|2,0,0]=4 22496 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100000740388_100016084084 [0,1,0,1,0,0|1,0,0]=3 22497 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100016084084_100000740388 [0,1,0,1,0,0|1,0,0]=3 22498 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100000203698_100016084084 [0,1,0,1,0,0|2,0,0]=4 22499 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100016084084_100000203698 [0,1,0,1,0,0|2,0,0]=4 22500 B11R1.25 C[C@H](CO)SCC1CCOC1 62a_100000702531_100016084084 [0,1,0,1,0,0|2,0,0]=4 22501 B11R1.25 C[C@H](CO)SCC1CCOC1 62a_100016084084_100000702531 [0,1,0,1,0,0|2,0,0]=4 22502 B11R1.25 ClCC(Cl)COC1CCCC1 34a_100000033668_100000179811 [0,1,0,1,0,0|2,0,0]=4 22503 B11R1.25 NC[C@@H](F)COC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|2,0,0]=4 22504 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,1,0,0|0,0,2]=4 22505 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|0,0,2]=4 22506 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,1,0,1,0,0|1,0,0]=3 22507 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,1,0,1,0,0|1,0,0]=3 22508 B11R1.25 OCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011219619 [0,1,0,1,0,0|2,0,0]=4 22509 B11R1.25 OCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011219619 [0,1,0,1,0,0|2,0,0]=4 22510 B11R1.25 OCC(O)CN[C@H]1CCOC1 34a_100015188467_100011219619 [0,1,0,1,0,0|2,0,0]=4 22511 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,1,0,1,0,0|1,0,0]=3 22512 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,1,0,1,0,0|1,0,0]=3 22513 B11R1.25 OCC(O)COC1CCCO1 34a_100000085407_100011219619 [0,1,0,1,0,0|2,0,0]=4 22514 B11R1.25 OCC(O)COC1CCSC1 7a_100011232664_100011219619 [0,1,0,1,0,0|2,0,0]=4 22515 B11R1.25 OCC(O)CO[C@H]1CCOC1 34a_100000717292_100011219619 [0,1,0,1,0,0|2,0,0]=4 22516 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,1,0,1,0,0|1,0,0]=3 22517 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,1,0,1,0,0|1,0,0]=3 22518 B11R1.25 OCC(O)CSC1CCOC1 62a_100011219619_100000690089 [0,1,0,1,0,0|2,0,0]=4 22519 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,1,0,1,0,0|1,0,0]=3 22520 B11R1.25 OC[C@@H](O)CNC1CCOC1 2230a_100020644852_100000731011 [0,1,0,1,0,0|2,0,0]=4 22521 B11R1.25 OC[C@H](F)CNC1CCCC1 270004a_100015665980_100000210133 [0,1,0,1,0,0|2,0,0]=4 22522 B11R1.25 OC[C@H](F)CNC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|2,0,0]=4 22523 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,1,0,1,0,0|1,0,0]=3 22524 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,1,0,1,0,0|1,0,0]=3 22525 B11R1.25 OC[C@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009815848 [0,1,0,1,0,0|2,0,0]=4 22526 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009815848 [0,1,0,1,0,0|2,0,0]=4 22527 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 34a_100015188467_100009815848 [0,1,0,1,0,0|2,0,0]=4 22528 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,1,0,1,0,0|1,0,0]=3 22529 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,1,0,1,0,0|1,0,0]=3 22530 B11R1.25 OC[C@H](O)COC1CCCO1 34a_100000085407_100009815848 [0,1,0,1,0,0|2,0,0]=4 22531 B11R1.25 OC[C@H](O)COC1CCSC1 7a_100011232664_100009815848 [0,1,0,1,0,0|2,0,0]=4 22532 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100009815848 [0,1,0,1,0,0|2,0,0]=4 22533 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,1,0,1,0,0|1,0,0]=3 22534 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,1,0,1,0,0|1,0,0]=3 22535 B11R1.25 OC[C@H](O)CSC1CCOC1 62a_100009815848_100000690089 [0,1,0,1,0,0|2,0,0]=4 22536 B11R1.25 O[C@@H](CF)CNC1CCCC1 2230a_100000211070_100015614560 [0,1,0,1,0,0|1,0,0]=3 22537 B11R1.25 O[C@@H](CF)CNC1CCCC1 34a_100000211070_100015614560 [0,1,0,1,0,0|1,0,0]=3 22538 B11R1.25 O[C@@H](CF)CN[C@@H]1CCOC1 2230a_200015188469_100015614560 [0,1,0,1,0,0|2,0,0]=4 22539 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 2230a_100015188467_100015614560 [0,1,0,1,0,0|2,0,0]=4 22540 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 34a_100015188467_100015614560 [0,1,0,1,0,0|2,0,0]=4 22541 B11R1.25 O[C@@H](CF)COC1CCCC1 34a_100000210269_100015614560 [0,1,0,1,0,0|1,0,0]=3 22542 B11R1.25 O[C@@H](CF)COC1CCCC1 7a_100000210269_100015614560 [0,1,0,1,0,0|1,0,0]=3 22543 B11R1.25 O[C@@H](CF)COC1CCCO1 34a_100000085407_100015614560 [0,1,0,1,0,0|2,0,0]=4 22544 B11R1.25 O[C@@H](CF)COC1CCSC1 7a_100011232664_100015614560 [0,1,0,1,0,0|2,0,0]=4 22545 B11R1.25 O[C@@H](CF)CO[C@H]1CCOC1 34a_100000717292_100015614560 [0,1,0,1,0,0|2,0,0]=4 22546 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100011217020_100015614560 [0,1,0,1,0,0|1,0,0]=3 22547 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100015614560_100000179811 [0,1,0,1,0,0|1,0,0]=3 22548 B11R1.25 O[C@@H](CF)CSC1CCOC1 62a_100015614560_100000690089 [0,1,0,1,0,0|2,0,0]=4 22549 B11R1.40 C#CC(C)NC1CCCCC1 270004a_100000707721_100000210434 [0,1,0,1,0,0|2,0,0]=4 22550 B11R1.40 C#CC(C)NC1CCCCC1 34a_100000182618_200000035995 [0,1,0,1,0,0|2,0,0]=4 22551 B11R1.40 C#CC(C)NC1CCCCC1 34a_100000707721_100000210327 [0,1,0,1,0,0|2,0,0]=4 22552 B11R1.40 C#CC(C)OC1CCCCC1 34a_100000210231_200000035995 [0,1,0,1,0,0|2,0,0]=4 22553 B11R1.40 C#CC(C)SC1CCCCC1 62a_200000035995_100000210327 [0,1,0,1,0,0|2,0,0]=4 22554 B11R1.40 C#C[C@@H](C)OC1CCCCC1 34a_100009815206_100000210327 [0,1,0,1,0,0|2,0,0]=4 22555 B11R1.40 C#C[C@@H](C)OC1CCCCC1 7a_100009815206_100000210327 [0,1,0,1,0,0|2,0,0]=4 22556 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [0,1,0,1,0,0|2,0,0]=4 22557 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [0,1,0,1,0,0|2,0,0]=4 22558 B11R1.40 CC(C#N)NC1CCCCC1 2230a_100000182618_100000184139 [0,1,0,1,0,0|2,0,0]=4 22559 B11R1.40 CC(C#N)OC1CCCCC1 34a_100011218135_100000210327 [0,1,0,1,0,0|2,0,0]=4 22560 B11R1.40 CC(C#N)OC1CCCCC1 7a_100000210231_100000703298 [0,1,0,1,0,0|2,0,0]=4 22561 B11R1.40 CC(C#N)SC1CCCCC1 62a_100000210327_100000703298 [0,1,0,1,0,0|2,0,0]=4 22562 B11R1.40 CC(C#N)SC1CCCCC1 62a_100000703298_100000210327 [0,1,0,1,0,0|2,0,0]=4 22563 B11R1.40 CC(CF)OC1CCCCC1 34a_100016041109_100000210327 [0,1,0,1,0,0|2,0,0]=4 22564 B11R1.40 CC(CF)OC1CCCCC1 7a_100016041109_100000210327 [0,1,0,1,0,0|2,0,0]=4 22565 B11R1.40 CC(CN)OC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|2,0,0]=4 22566 B11R1.40 CC(CN1CCCCC1)N[13CH3] 2230a_100000738326_200025704644 [0,1,0,1,0,0|2,0,0]=4 22567 B11R1.40 CC(CN1CCCCC1)S[13CH3] 62a_100009831500_200025704644 [0,1,0,1,0,0|1,1,0]=4 22568 B11R1.40 CC(CN1CCCCC1)S[13CH3] 62a_200025704644_100009831500 [0,1,0,1,0,0|1,1,0]=4 22569 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,1,0,1,0,0|1,0,0]=3 22570 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,1,0,1,0,0|1,0,0]=3 22571 B11R1.40 CC(CO)NC1CCCOC1 2230a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 22572 B11R1.40 CC(CO)NC1CCCOC1 34a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 22573 B11R1.40 CC(CO)NC1CCOCC1 2230a_100000741149_100012180447 [0,1,0,1,0,0|2,0,0]=4 22574 B11R1.40 CC(CO)NC1CCOCC1 34a_100000741149_100012180447 [0,1,0,1,0,0|2,0,0]=4 22575 B11R1.40 CC(CO)NC1CCSCC1 2230a_100000748639_100012180447 [0,1,0,1,0,0|2,0,0]=4 22576 B11R1.40 CC(CO)NC1CCSCC1 34a_100000748639_100012180447 [0,1,0,1,0,0|2,0,0]=4 22577 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,1,0,1,0,0|1,0,0]=3 22578 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,1,0,1,0,0|1,0,0]=3 22579 B11R1.40 CC(CO)OC1CCCCO1 34a_100000033831_100012180447 [0,1,0,1,0,0|2,0,0]=4 22580 B11R1.40 CC(CO)OC1CCCOC1 34a_100000754041_100012180447 [0,1,0,1,0,0|2,0,0]=4 22581 B11R1.40 CC(CO)OC1CCCSC1 7a_100015962668_100012180447 [0,1,0,1,0,0|2,0,0]=4 22582 B11R1.40 CC(CO)OC1CCOCC1 34a_100000744328_100012180447 [0,1,0,1,0,0|2,0,0]=4 22583 B11R1.40 CC(CO)OC1CCSCC1 34a_100000731022_100012180447 [0,1,0,1,0,0|2,0,0]=4 22584 B11R1.40 CC(CO)OC1CCSCC1 7a_100000731022_100012180447 [0,1,0,1,0,0|2,0,0]=4 22585 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [0,1,0,1,0,0|1,0,0]=3 22586 B11R1.40 CC(CO)SC1CCCOC1 62a_100012180447_100000693364 [0,1,0,1,0,0|2,0,0]=4 22587 B11R1.40 CC(CO)SC1CCOCC1 62a_100012180447_100011324220 [0,1,0,1,0,0|2,0,0]=4 22588 B11R1.40 CC(CO)SC1CCSCC1 62a_100012180447_100000069128 [0,1,0,1,0,0|2,0,0]=4 22589 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|0,0,2]=4 22590 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|0,0,2]=4 22591 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,1,0,1,0,0|2,0,0]=4 22592 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,1,0,1,0,0|2,0,0]=4 22593 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,1,0,1,0,0|2,0,0]=4 22594 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,1,0,1,0,0|2,0,0]=4 22595 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,1,0,1,0,0|2,0,0]=4 22596 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,1,0,1,0,0|2,0,0]=4 22597 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,1,0,1,0,0|2,0,0]=4 22598 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,1,0,1,0,0|2,0,0]=4 22599 B11R1.40 CCC(O)CN1CCCOC1 2230a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 22600 B11R1.40 CCC(O)CN1CCCOC1 269982a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 22601 B11R1.40 CCC(O)CN1CCCOC1 34a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 22602 B11R1.40 CCC(O)CN1CCOCC1 2230a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 22603 B11R1.40 CCC(O)CN1CCOCC1 269982a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 22604 B11R1.40 CCC(O)CN1CCOCC1 34a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 22605 B11R1.40 CCC(O)CN1CCSCC1 2230a_100000737611_100011218378 [0,1,0,1,0,0|2,0,0]=4 22606 B11R1.40 CCC(O)CN1CCSCC1 269982a_100000737611_100011218378 [0,1,0,1,0,0|2,0,0]=4 22607 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 22608 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 22609 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 22610 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,1,0,1,0,0|2,0,0]=4 22611 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 22612 B11R1.40 CN(CF)CC1CCCCC1 269982a_100000736448_100015361967 [0,1,0,1,0,0|2,0,0]=4 22613 B11R1.40 CN(CF)CC1CCCCC1 34a_100000736448_100015361967 [0,1,0,1,0,0|2,0,0]=4 22614 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,1,0,1,0,0|0,0,2]=4 22615 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,1,0,1,0,0|0,0,2]=4 22616 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,1,0,1,0,0|0,0,2]=4 22617 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,1,0,1,0,0|0,0,2]=4 22618 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,1,0,1,0,0|1,0,0]=3 22619 B11R1.40 CNC(C)CN1CCCCC1 2230a_100000738326_200000210301 [0,1,0,1,0,0|2,0,0]=4 22620 B11R1.40 COC(C)SC1CCCCC1 62a_100000210327_100009879195 [0,1,0,1,0,0|1,0,0]=3 22621 B11R1.40 COC(C)SC1CCCCC1 62a_100009879195_100000210327 [0,1,0,1,0,0|1,0,0]=3 22622 B11R1.40 COC(C)SC1CCCOC1 62a_100009879195_100000693364 [0,1,0,1,0,0|2,0,0]=4 22623 B11R1.40 COC(C)SC1CCOCC1 62a_100009879195_100011324220 [0,1,0,1,0,0|2,0,0]=4 22624 B11R1.40 COC(C)SC1CCSCC1 62a_100009879195_100000069128 [0,1,0,1,0,0|2,0,0]=4 22625 B11R1.40 CSC(C)CN1CCCCC1 62a_100009831500_200000210301 [0,1,0,1,0,0|1,1,0]=4 22626 B11R1.40 CSC(C)CN1CCCCC1 62a_200000210301_100009831500 [0,1,0,1,0,0|1,1,0]=4 22627 B11R1.40 C[C@@H](CO)CN1CCCOC1 2230a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 22628 B11R1.40 C[C@@H](CO)CN1CCCOC1 269982a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 22629 B11R1.40 C[C@@H](CO)CN1CCCOC1 34a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 22630 B11R1.40 C[C@@H](CO)CN1CCOCC1 2230a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 22631 B11R1.40 C[C@@H](CO)CN1CCOCC1 269982a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 22632 B11R1.40 C[C@@H](CO)CN1CCOCC1 34a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 22633 B11R1.40 C[C@@H](CO)CN1CCSCC1 2230a_100000737611_100000059175 [0,1,0,1,0,0|2,0,0]=4 22634 B11R1.40 C[C@@H](CO)CN1CCSCC1 269982a_100000737611_100000059175 [0,1,0,1,0,0|2,0,0]=4 22635 B11R1.40 C[C@H](CF)NC1CCCCC1 270004a_100102880703_100000210434 [0,1,0,1,0,0|2,0,0]=4 22636 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,1,0,1,0,0|1,0,0]=3 22637 B11R1.40 C[C@H](CO)NC1CCCOC1 270004a_100000737577_100000753404 [0,1,0,1,0,0|2,0,0]=4 22638 B11R1.40 C[C@H](CO)NC1CCCSC1 270004a_100000737577_100000057913 [0,1,0,1,0,0|2,0,0]=4 22639 B11R1.40 C[C@H](CO)NC1CCNCC1 270004a_100000737577_100015192401 [0,1,0,1,0,0|2,0,0]=4 22640 B11R1.40 C[C@H](CO)NC1CCOCC1 270004a_100000737577_100011217826 [0,1,0,1,0,0|2,0,0]=4 22641 B11R1.40 C[C@H](CO)NC1CCSCC1 270004a_100000737577_100000203788 [0,1,0,1,0,0|2,0,0]=4 22642 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [0,1,0,1,0,0|1,0,0]=3 22643 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [0,1,0,1,0,0|1,0,0]=3 22644 B11R1.40 C[C@H](CO)SC1CCCOC1 62a_100016084084_100000693364 [0,1,0,1,0,0|2,0,0]=4 22645 B11R1.40 C[C@H](CO)SC1CCOCC1 62a_100016084084_100011324220 [0,1,0,1,0,0|2,0,0]=4 22646 B11R1.40 C[C@H](CO)SC1CCSCC1 62a_100016084084_100000069128 [0,1,0,1,0,0|2,0,0]=4 22647 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,1,0,0|0,0,2]=4 22648 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|0,0,2]=4 22649 B11R1.40 OCC(O)CN1CCCOC1 2230a_100000131196_100011219619 [0,1,0,1,0,0|2,0,0]=4 22650 B11R1.40 OCC(O)CN1CCCOC1 34a_100000131196_100011219619 [0,1,0,1,0,0|2,0,0]=4 22651 B11R1.40 OCC(O)CN1CCOCC1 2230a_100015191051_100011219619 [0,1,0,1,0,0|2,0,0]=4 22652 B11R1.40 OCC(O)CN1CCOCC1 34a_100015191051_100011219619 [0,1,0,1,0,0|2,0,0]=4 22653 B11R1.40 OCC(O)CN1CCSCC1 2230a_100000737611_100011219619 [0,1,0,1,0,0|2,0,0]=4 22654 B11R1.40 OC[C@H](O)CN1CCCOC1 2230a_100000131196_100009815848 [0,1,0,1,0,0|2,0,0]=4 22655 B11R1.40 OC[C@H](O)CN1CCCOC1 34a_100000131196_100009815848 [0,1,0,1,0,0|2,0,0]=4 22656 B11R1.40 OC[C@H](O)CN1CCOCC1 2230a_100015191051_100009815848 [0,1,0,1,0,0|2,0,0]=4 22657 B11R1.40 OC[C@H](O)CN1CCOCC1 34a_100015191051_100009815848 [0,1,0,1,0,0|2,0,0]=4 22658 B11R1.40 OC[C@H](O)CN1CCSCC1 2230a_100000737611_100009815848 [0,1,0,1,0,0|2,0,0]=4 22659 B11R1.40 O[C@@H](CF)CN1CCCOC1 2230a_100000131196_100015614560 [0,1,0,1,0,0|2,0,0]=4 22660 B11R1.40 O[C@@H](CF)CN1CCCOC1 34a_100000131196_100015614560 [0,1,0,1,0,0|2,0,0]=4 22661 B11R1.40 O[C@@H](CF)CN1CCOCC1 2230a_100015191051_100015614560 [0,1,0,1,0,0|2,0,0]=4 22662 B11R1.40 O[C@@H](CF)CN1CCOCC1 34a_100015191051_100015614560 [0,1,0,1,0,0|2,0,0]=4 22663 B11R1.40 O[C@@H](CF)CN1CCSCC1 2230a_100000737611_100015614560 [0,1,0,1,0,0|2,0,0]=4 22664 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 22665 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 22666 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [0,1,0,1,0,0|2,0,0]=4 22667 B11R1.47 BrCCCCOCC1COC1 34a_100011216708_100010264016 [0,1,0,1,0,0|2,0,0]=4 22668 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,1,0,1,0,0|2,0,0]=4 22669 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,1,0,1,0,0|2,0,0]=4 22670 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,1,0,1,0,0|2,0,0]=4 22671 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,1,0,1,0,0|2,0,0]=4 22672 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,1,0,1,0,0|1,0,0]=3 22673 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,1,0,1,0,0|2,0,0]=4 22674 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,1,0,1,0,0|2,0,0]=4 22675 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 22676 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 22677 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,1,0,1,0,0|1,1,0]=4 22678 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,1,0,1,0,0|2,0,0]=4 22679 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,1,0,1,0,0|1,0,0]=3 22680 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,1,0,1,0,0|2,0,0]=4 22681 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,1,0,1,0,0|2,0,0]=4 22682 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,1,0,1,0,0|2,0,0]=4 22683 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,1,0,1,0,0|2,0,0]=4 22684 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|1,0,0]=3 22685 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,1,0,1,0,0|1,0,0]=3 22686 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,1,0,1,0,0|1,0,0]=3 22687 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,1,0,1,0,0|1,0,0]=3 22688 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|1,0,0]=3 22689 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|1,0,0]=3 22690 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,1,0,1,0,0|2,0,0]=4 22691 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,1,0,1,0,0|2,0,0]=4 22692 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,1,0,1,0,0|2,0,0]=4 22693 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|1,0,0]=3 22694 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|1,0,0]=3 22695 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|1,0,0]=3 22696 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,1,0,1,0,0|2,0,0]=4 22697 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,1,0,1,0,0|1,0,0]=3 22698 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,1,0,1,0,0|1,0,0]=3 22699 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,1,0,1,0,0|1,0,0]=3 22700 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,1,0,1,0,0|2,0,0]=4 22701 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,1,0,1,0,0|2,0,0]=4 22702 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|1,0,0]=3 22703 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|1,0,0]=3 22704 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,1,0,1,0,0|1,0,0]=3 22705 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,1,0,1,0,0|1,0,0]=3 22706 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,1,0,1,0,0|1,0,0]=3 22707 B11R1.47 CCCCOCNC1COC1 2230a_100016991112_100011995733 [0,1,0,1,0,0|2,0,0]=4 22708 B11R1.47 CCCCOCSC1COC1 62a_100011995733_100009818527 [0,1,0,1,0,0|2,0,0]=4 22709 B11R1.47 CCCOCCNC1COC1 2230a_100016991112_100011215938 [0,1,0,1,0,0|2,0,0]=4 22710 B11R1.47 CCCOCCNC1COC1 34a_100161115042_100009818527 [0,1,0,1,0,0|2,0,0]=4 22711 B11R1.47 CCCOCCOC1COC1 34a_100000752267_100009818527 [0,1,0,1,0,0|2,0,0]=4 22712 B11R1.47 CCCOCCOC1COC1 7a_100000752267_100009818527 [0,1,0,1,0,0|2,0,0]=4 22713 B11R1.47 CCCOCCSC1COC1 62a_100011215938_100009818527 [0,1,0,1,0,0|2,0,0]=4 22714 B11R1.47 CCCSCCOC1COC1 34a_200000230433_100009818527 [0,1,0,1,0,0|2,0,0]=4 22715 B11R1.47 CCCSCCOC1COC1 7a_200000230433_100009818527 [0,1,0,1,0,0|2,0,0]=4 22716 B11R1.47 CCOCCCNC1COC1 2230a_100016991112_100012232248 [0,1,0,1,0,0|2,0,0]=4 22717 B11R1.47 CCOCCCNC1COC1 34a_100000210961_100009818527 [0,1,0,1,0,0|2,0,0]=4 22718 B11R1.47 CCOCCCOC1COC1 34a_100000757476_100009818527 [0,1,0,1,0,0|2,0,0]=4 22719 B11R1.47 CCOCCCOC1COC1 7a_100000757476_100009818527 [0,1,0,1,0,0|2,0,0]=4 22720 B11R1.47 CCOCCCSC1COC1 62a_100012232248_100009818527 [0,1,0,1,0,0|2,0,0]=4 22721 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,1,0,1,0,0|2,0,0]=4 22722 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,1,0,1,0,0|2,0,0]=4 22723 B11R1.47 CCOCCNCC1COC1 2230a_100015281925_100011215890 [0,1,0,1,0,0|2,0,0]=4 22724 B11R1.47 CCOCCNCC1COC1 2230a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 22725 B11R1.47 CCOCCNCC1COC1 34a_100015281925_100000210147 [0,1,0,1,0,0|2,0,0]=4 22726 B11R1.47 CCOCCNCC1COC1 34a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 22727 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,1,0,1,0,0|2,0,0]=4 22728 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,1,0,1,0,0|2,0,0]=4 22729 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,1,0,1,0,0|2,0,0]=4 22730 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,1,0,1,0,0|2,0,0]=4 22731 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,1,0,1,0,0|2,0,0]=4 22732 B11R1.47 CCOCCOCC1COC1 34a_100000060846_100000210147 [0,1,0,1,0,0|2,0,0]=4 22733 B11R1.47 CCOCCOCC1COC1 34a_100000210136_100010264016 [0,1,0,1,0,0|2,0,0]=4 22734 B11R1.47 CCOCCOCC1COC1 7a_100000210136_100010264016 [0,1,0,1,0,0|2,0,0]=4 22735 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,1,0,1,0,0|2,0,0]=4 22736 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,1,0,1,0,0|2,0,0]=4 22737 B11R1.47 CCOCCSCC1COC1 62a_100000210147_100010264016 [0,1,0,1,0,0|2,0,0]=4 22738 B11R1.47 CCOCCSCC1COC1 62a_100010264016_100011215890 [0,1,0,1,0,0|2,0,0]=4 22739 B11R1.47 CCSCCCOC1COC1 34a_100011216438_100009818527 [0,1,0,1,0,0|2,0,0]=4 22740 B11R1.47 CCSCCCOC1COC1 7a_100011216438_100009818527 [0,1,0,1,0,0|2,0,0]=4 22741 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,1,0,1,0,0|2,0,0]=4 22742 B11R1.47 CCSCCNCC1COC1 2230a_100000106463_100010264016 [0,1,0,1,0,0|2,0,0]=4 22743 B11R1.47 CCSCCNCC1COC1 2230a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 22744 B11R1.47 CCSCCNCC1COC1 34a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 22745 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,1,0,1,0,0|2,0,0]=4 22746 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,1,0,1,0,0|2,0,0]=4 22747 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,1,0,1,0,0|2,0,0]=4 22748 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,1,0,1,0,0|2,0,0]=4 22749 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,1,0,1,0,0|2,0,0]=4 22750 B11R1.47 CCSCCOCC1COC1 34a_100000060846_100000757381 [0,1,0,1,0,0|2,0,0]=4 22751 B11R1.47 CCSCCOCC1COC1 34a_100000212035_100010264016 [0,1,0,1,0,0|2,0,0]=4 22752 B11R1.47 CCSCCOCC1COC1 7a_100000212035_100010264016 [0,1,0,1,0,0|2,0,0]=4 22753 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,1,0,1,0,0|2,0,0]=4 22754 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,1,0,1,0,0|2,0,0]=4 22755 B11R1.47 CCSCCSCC1COC1 62a_100000757381_100010264016 [0,1,0,1,0,0|2,0,0]=4 22756 B11R1.47 CCSCCSCC1COC1 62a_100010264016_100000757381 [0,1,0,1,0,0|2,0,0]=4 22757 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [0,1,0,1,0,0|2,0,0]=4 22758 B11R1.47 CNCCCOCC1COC1 34a_100000213112_100010264016 [0,1,0,1,0,0|2,0,0]=4 22759 B11R1.47 COCCCCNC1COC1 2230a_100016991112_100000730899 [0,1,0,1,0,0|2,0,0]=4 22760 B11R1.47 COCCCCOC1COC1 34a_100000740925_100009818527 [0,1,0,1,0,0|2,0,0]=4 22761 B11R1.47 COCCCCSC1COC1 62a_100000730899_100009818527 [0,1,0,1,0,0|2,0,0]=4 22762 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [0,1,0,1,0,0|2,0,0]=4 22763 B11R1.47 COCCCNCC1COC1 2230a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 22764 B11R1.47 COCCCNCC1COC1 34a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 22765 B11R1.47 COCCCNCC1COC1 34a_100150723488_100010264016 [0,1,0,1,0,0|2,0,0]=4 22766 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [0,1,0,1,0,0|2,0,0]=4 22767 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [0,1,0,1,0,0|2,0,0]=4 22768 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [0,1,0,1,0,0|2,0,0]=4 22769 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [0,1,0,1,0,0|2,0,0]=4 22770 B11R1.47 COCCCOCC1COC1 34a_100000060846_100000740836 [0,1,0,1,0,0|2,0,0]=4 22771 B11R1.47 COCCCOCC1COC1 34a_100000740835_100010264016 [0,1,0,1,0,0|2,0,0]=4 22772 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [0,1,0,1,0,0|2,0,0]=4 22773 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [0,1,0,1,0,0|2,0,0]=4 22774 B11R1.47 COCCCSCC1COC1 62a_100000709357_100010264016 [0,1,0,1,0,0|2,0,0]=4 22775 B11R1.47 COCCCSCC1COC1 62a_100010264016_100000709357 [0,1,0,1,0,0|2,0,0]=4 22776 B11R1.47 COCCOCCC1COC1 34a_100009855314_100011201679 [0,1,0,1,0,0|2,0,0]=4 22777 B11R1.47 CSCCCCOC1COC1 34a_100011217163_100009818527 [0,1,0,1,0,0|2,0,0]=4 22778 B11R1.47 CSCCCCOC1COC1 7a_100011217163_100009818527 [0,1,0,1,0,0|2,0,0]=4 22779 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [0,1,0,1,0,0|2,0,0]=4 22780 B11R1.47 CSCCCNCC1COC1 2230a_100000749238_100010264016 [0,1,0,1,0,0|2,0,0]=4 22781 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [0,1,0,1,0,0|2,0,0]=4 22782 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [0,1,0,1,0,0|2,0,0]=4 22783 B11R1.47 CSCCCOCC1COC1 34a_100000690336_100010264016 [0,1,0,1,0,0|2,0,0]=4 22784 B11R1.47 CSCCCOCC1COC1 7a_100000690336_100010264016 [0,1,0,1,0,0|2,0,0]=4 22785 B11R1.47 CSCCOCCC1COC1 34a_100009855314_100000212216 [0,1,0,1,0,0|2,0,0]=4 22786 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 22787 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 22788 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 22789 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 22790 B11R1.47 ClCCCCOCC1COC1 34a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 22791 B11R1.47 ClCCCCOCC1COC1 7a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 22792 B11R1.47 FCCCCCNC1COC1 2230a_100016991112_100000729378 [0,1,0,1,0,0|2,0,0]=4 22793 B11R1.47 FCCCCCSC1COC1 62a_100000729378_100009818527 [0,1,0,1,0,0|2,0,0]=4 22794 B11R1.47 FCCCCNCC1COC1 2230a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 22795 B11R1.47 FCCCCNCC1COC1 34a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 22796 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [0,1,0,1,0,0|2,0,0]=4 22797 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [0,1,0,1,0,0|2,0,0]=4 22798 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [0,1,0,1,0,0|2,0,0]=4 22799 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [0,1,0,1,0,0|2,0,0]=4 22800 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [0,1,0,1,0,0|2,0,0]=4 22801 B11R1.47 FCCCCOCC1COC1 34a_100000060846_100000729493 [0,1,0,1,0,0|2,0,0]=4 22802 B11R1.47 FCCCCOCC1COC1 34a_100011995726_100010264016 [0,1,0,1,0,0|2,0,0]=4 22803 B11R1.47 FCCCCOCC1COC1 7a_100011995726_100010264016 [0,1,0,1,0,0|2,0,0]=4 22804 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [0,1,0,1,0,0|2,0,0]=4 22805 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [0,1,0,1,0,0|2,0,0]=4 22806 B11R1.47 FCCCCSCC1COC1 62a_100000729493_100010264016 [0,1,0,1,0,0|2,0,0]=4 22807 B11R1.47 FCCCCSCC1COC1 62a_100010264016_100000729493 [0,1,0,1,0,0|2,0,0]=4 22808 B11R1.47 FCCCOCCC1COC1 34a_100009855314_100011934791 [0,1,0,1,0,0|2,0,0]=4 22809 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 22810 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 22811 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [0,1,0,1,0,0|2,0,0]=4 22812 B11R1.47 ICCCCOCC1COC1 34a_200012148704_100010264016 [0,1,0,1,0,0|2,0,0]=4 22813 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 22814 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 22815 B11R1.47 NCCCCOCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 22816 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,1,0,1,0,0|2,0,0]=4 22817 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 22818 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 22819 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 22820 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 22821 B11R1.47 OCCCCNCC1COC1 2230a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 22822 B11R1.47 OCCCCNCC1COC1 2230a_100015281925_100000210776 [0,1,0,1,0,0|2,0,0]=4 22823 B11R1.47 OCCCCNCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 22824 B11R1.47 OCCCCNCC1COC1 34a_100015281925_100011216708 [0,1,0,1,0,0|2,0,0]=4 22825 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,1,0,1,0,0|2,0,0]=4 22826 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,1,0,1,0,0|2,0,0]=4 22827 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,1,0,1,0,0|2,0,0]=4 22828 B11R1.47 OCCCCOCC1COC1 34a_100000060846_100011216708 [0,1,0,1,0,0|2,0,0]=4 22829 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,1,0,1,0,0|2,0,0]=4 22830 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 22831 B11R1.47 OCCCCSCC1COC1 62a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 22832 B11R1.47 OCCCCSCC1COC1 62a_100010264016_100000210776 [0,1,0,1,0,0|2,0,0]=4 22833 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [0,1,0,1,0,0|2,0,0]=4 22834 B11R1.59 C#CC(C)N1CCCC1CC 34a_100000754278_200000035995 [0,1,0,1,0,0|2,0,0]=4 22835 B11R1.59 C=CC(C)N1CCCC1CC 269982a_100000754278_100011215867 [0,1,0,1,0,0|2,0,0]=4 22836 B11R1.59 CC(CO)N1CCC[C@@H]1CO 2230a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 22837 B11R1.59 CC(CO)N1CCC[C@@H]1CO 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 22838 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 22839 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 22840 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,1,0,1,0,0|2,0,0]=4 22841 B11R1.59 CCC1CCCN1C(C)C#N 2230a_100000754278_100000184139 [0,1,0,1,0,0|2,0,0]=4 22842 B11R1.59 CCC1CCCN1C(C)C#N 269982a_100000754278_100000703298 [0,1,0,1,0,0|2,0,0]=4 22843 B11R1.59 CCC1CCCN1C(C)CO 2230a_100000754278_100012180447 [0,1,0,1,0,0|1,0,0]=3 22844 B11R1.59 CCC1CCCN1C(C)CO 34a_100000754278_100012180447 [0,1,0,1,0,0|1,0,0]=3 22845 B11R1.59 CCC1CCCN1C(C)OC 269982a_100000754278_100009879195 [0,1,0,1,0,0|1,0,0]=3 22846 B11R1.59 CCC1CCCN1[C@H](C)CO 269982a_100000754278_100016084084 [0,1,0,1,0,0|1,0,0]=3 22847 B11R1.59 COC(C)N1CCC[C@@H]1CO 269982a_100000745186_100009879195 [0,1,0,1,0,0|2,0,0]=4 22848 B11R1.59 C[C@H](CO)N1CCC[C@@H]1CO 269982a_100000745186_100016084084 [0,1,0,1,0,0|2,0,0]=4 22849 B11R1.115 COCC1CCN1C(C)CO 2230a_100015195929_100012180447 [0,1,0,1,0,0|2,0,0]=4 22850 B11R1.115 COCC1CCN1C(C)CO 34a_100015195929_100012180447 [0,1,0,1,0,0|2,0,0]=4 22851 B11R1.115 COCC1CCN1C(C)OC 269982a_100015195929_100009879195 [0,1,0,1,0,0|2,0,0]=4 22852 B11R1.115 COCC1CCN1[C@H](C)CO 269982a_100015195929_100016084084 [0,1,0,1,0,0|2,0,0]=4 22853 B11R1.189 C#CC1CCCN(C1)CCC 2230a_100015191679_100000210303 [0,1,0,1,0,0|2,0,0]=4 22854 B11R1.189 C#CC1CCCN(C1)CCC 269982a_100015191679_100000210303 [0,1,0,1,0,0|2,0,0]=4 22855 B11R1.189 C#CC1CCCN(C1)CCC 34a_100015191679_100000210303 [0,1,0,1,0,0|2,0,0]=4 22856 B11R1.189 CCCC1CC(CCN1)NC 270004a_106832991635_100016991347 [0,1,0,1,0,0|2,0,0]=4 22857 B11R1.189 CCCN1CCCC(C1)C#N 2230a_100016989302_100000210303 [0,1,0,1,0,0|2,0,0]=4 22858 B11R1.189 CCCN1CCCC(C1)C#N 269982a_206835378768_100000210303 [0,1,0,1,0,0|2,0,0]=4 22859 B11R1.189 CCCN1CCCC(C1)CF 2230a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 22860 B11R1.189 CCCN1CCCC(C1)CF 269982a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 22861 B11R1.189 CCCN1CCCC(C1)CF 34a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 22862 B11R1.189 CCCN1CCCC(C1)CO 2230a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 22863 B11R1.189 CCCN1CCCC(C1)CO 269982a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 22864 B11R1.189 CCCN1CCCC(C1)CO 34a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 22865 B11R1.189 CCCN1CCCC(C1)NC 2230a_100011435248_200000210301 [0,1,0,1,0,0|2,0,0]=4 22866 B11R1.189 CCCN1CCCC(C1)N[13CH3] 2230a_100011435248_200025704644 [0,1,0,1,0,0|2,0,0]=4 22867 B11R1.189 CCCN1CCCC(C1)OC 2230a_100000695604_100000210303 [0,1,0,1,0,0|1,0,0]=3 22868 B11R1.189 CCCN1CCCC(C1)OC 269982a_100000695604_100000210303 [0,1,0,1,0,0|1,0,0]=3 22869 B11R1.189 CCCN1CCCC(C1)OC 34a_100000695604_100000210303 [0,1,0,1,0,0|1,0,0]=3 22870 B11R1.189 CCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 22871 B11R1.189 CCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 22872 B11R1.189 CCCN1CCO[C@@H](C1)CO 34a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 22873 B11R1.189 CCNC1CCCC(C1)C#N 270004a_100015525214_100000747296 [0,1,0,1,0,0|2,0,0]=4 22874 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,1,0,1,0,0|2,0,0]=4 22875 B11R1.189 CCNC1CCCC(C1)SC 270004a_100015525214_100012138059 [0,1,0,1,0,0|1,1,0]=4 22876 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|2,0,0]=4 22877 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,1,0,1,0,0|2,0,0]=4 22878 B11R1.189 COC1CCCN(C1)CCF 2230a_100000695604_100011217306 [0,1,0,1,0,0|2,0,0]=4 22879 B11R1.189 COC1CCCN(C1)CCF 269982a_100000695604_100011217306 [0,1,0,1,0,0|2,0,0]=4 22880 B11R1.189 COC1CCCN(C1)CCF 34a_100000695604_100011217306 [0,1,0,1,0,0|2,0,0]=4 22881 B11R1.189 COC1CCCN(C1)CCO 2230a_100000695604_100000211926 [0,1,0,1,0,0|2,0,0]=4 22882 B11R1.189 COC1CCCN(C1)CCO 269982a_100000695604_100000211926 [0,1,0,1,0,0|2,0,0]=4 22883 B11R1.189 COC1CCCN(C1)CCO 34a_100000695604_100000211926 [0,1,0,1,0,0|2,0,0]=4 22884 B11R1.189 COC1CCCN(C1)CSC 2230a_100000695604_100011218213 [0,1,0,1,0,0|2,0,0]=4 22885 B11R1.189 COC1CCCN(C1)CSC 269982a_100000695604_100011218213 [0,1,0,1,0,0|2,0,0]=4 22886 B11R1.189 COC1CCCN(C1)CSC 34a_100000695604_100011218213 [0,1,0,1,0,0|2,0,0]=4 22887 B11R1.189 COCN1CCCC(C1)CO 2230a_100000211344_100000766300 [0,1,0,1,0,0|2,0,0]=4 22888 B11R1.189 COCN1CCCC(C1)CO 269982a_100000211344_100000766300 [0,1,0,1,0,0|2,0,0]=4 22889 B11R1.189 COCN1CCCC(C1)OC 2230a_100000695604_100000766300 [0,1,0,1,0,0|2,0,0]=4 22890 B11R1.189 COCN1CCCC(C1)OC 269982a_100000695604_100000766300 [0,1,0,1,0,0|2,0,0]=4 22891 B11R1.189 CSCN1CCCC(C1)CO 2230a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 22892 B11R1.189 CSCN1CCCC(C1)CO 269982a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 22893 B11R1.189 CSCN1CCCC(C1)CO 34a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 22894 B11R1.189 OCC1CCCN(C1)CCF 2230a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 22895 B11R1.189 OCC1CCCN(C1)CCF 269982a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 22896 B11R1.189 OCC1CCCN(C1)CCF 34a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 22897 B11R1.189 OCCN1CCCC(C1)CO 2230a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 22898 B11R1.189 OCCN1CCCC(C1)CO 269982a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 22899 B11R1.189 OCCN1CCCC(C1)CO 34a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 22900 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,1,0,1,0,0|2,0,0]=4 22901 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,1,0,1,0,0|2,0,0]=4 22902 B11R1.194 CCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 22903 B11R1.194 CCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 22904 B11R1.194 CCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 22905 B11R1.194 COCN1CCC[C@@]1(C)CO 2230a_100016195882_100000766300 [0,1,0,1,0,0|2,0,0]=4 22906 B11R1.194 COCN1CCC[C@@]1(C)CO 269982a_100016195882_100000766300 [0,1,0,1,0,0|2,0,0]=4 22907 B11R1.194 CSCN1CCC[C@@]1(C)CO 2230a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 22908 B11R1.194 CSCN1CCC[C@@]1(C)CO 269982a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 22909 B11R1.194 CSCN1CCC[C@@]1(C)CO 34a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 22910 B11R1.194 C[C@]1(CCCN1CCF)CO 2230a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 22911 B11R1.194 C[C@]1(CCCN1CCF)CO 269982a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 22912 B11R1.194 C[C@]1(CCCN1CCF)CO 34a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 22913 B11R1.194 C[C@]1(CCCN1CCO)CO 2230a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 22914 B11R1.194 C[C@]1(CCCN1CCO)CO 269982a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 22915 B11R1.194 C[C@]1(CCCN1CCO)CO 34a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 22916 B11R1.214 CCCCN1CCC(C1)C#N 2230a_100016989334_100000210211 [0,1,0,1,0,0|2,0,0]=4 22917 B11R1.214 CCCCN1CCC(C1)CO 2230a_100000748654_100000210211 [0,1,0,1,0,0|1,0,0]=3 22918 B11R1.214 CCCCN1CCC(C1)CO 269982a_100000748654_100000210211 [0,1,0,1,0,0|1,0,0]=3 22919 B11R1.214 CCCCN1CCC(C1)CO 34a_100000748654_100000210210 [0,1,0,1,0,0|1,0,0]=3 22920 B11R1.214 CCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210211 [0,1,0,1,0,0|1,0,0]=3 22921 B11R1.214 CCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210211 [0,1,0,1,0,0|1,0,0]=3 22922 B11R1.214 CCCNC1CCC(C1)C#N 270004a_100020643023_100000717688 [0,1,0,1,0,0|2,0,0]=4 22923 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,1,0,1,0,0|2,0,0]=4 22924 B11R1.214 CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210202 [0,1,0,1,0,0|1,0,0]=3 22925 B11R1.214 CCOCN1CCC(C1)CO 269982a_100000748654_100000739092 [0,1,0,1,0,0|2,0,0]=4 22926 B11R1.214 CCOCN1CC[C@H](C1)OC 269982a_100000766984_100000739092 [0,1,0,1,0,0|2,0,0]=4 22927 B11R1.214 CCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210202 [0,1,0,1,0,0|2,0,0]=4 22928 B11R1.214 COCCN1CCC(C1)CO 2230a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 22929 B11R1.214 COCCN1CCC(C1)CO 269982a_100000748654_100000233755 [0,1,0,1,0,0|2,0,0]=4 22930 B11R1.214 COCCN1CCC(C1)CO 34a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 22931 B11R1.214 COCCN1CC[C@H](C1)OC 2230a_100000766984_100011201679 [0,1,0,1,0,0|2,0,0]=4 22932 B11R1.214 COCCN1CC[C@H](C1)OC 269982a_100000766984_100000233755 [0,1,0,1,0,0|2,0,0]=4 22933 B11R1.214 CO[C@@H]1CCN(C1)CCCF 2230a_100000766984_100011934791 [0,1,0,1,0,0|2,0,0]=4 22934 B11R1.214 CO[C@@H]1CCN(C1)CCCF 269982a_100000766984_100011934791 [0,1,0,1,0,0|2,0,0]=4 22935 B11R1.214 CO[C@@H]1CCN(C1)CCCO 2230a_100000766984_100000230001 [0,1,0,1,0,0|2,0,0]=4 22936 B11R1.214 CO[C@@H]1CCN(C1)CCCO 269982a_100000766984_100011215043 [0,1,0,1,0,0|2,0,0]=4 22937 B11R1.214 CO[C@@H]1CCN(C1)CCSC 2230a_100000766984_100000751147 [0,1,0,1,0,0|2,0,0]=4 22938 B11R1.214 CO[C@@H]1CCN(C1)CCSC 269982a_100000766984_100000212216 [0,1,0,1,0,0|2,0,0]=4 22939 B11R1.214 CSCCN1CCC(C1)CO 2230a_100000748654_100000751147 [0,1,0,1,0,0|2,0,0]=4 22940 B11R1.214 CSCCN1CCC(C1)CO 269982a_100000748654_100000212216 [0,1,0,1,0,0|2,0,0]=4 22941 B11R1.214 CSCCN1CCC(C1)CO 34a_100000748654_100000212216 [0,1,0,1,0,0|2,0,0]=4 22942 B11R1.214 OCC1CCN(C1)CCCF 2230a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 22943 B11R1.214 OCC1CCN(C1)CCCF 269982a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 22944 B11R1.214 OCC1CCN(C1)CCCF 34a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 22945 B11R1.214 OCCCN1CCC(C1)CO 2230a_100000748654_100000230001 [0,1,0,1,0,0|2,0,0]=4 22946 B11R1.214 OCCCN1CCC(C1)CO 269982a_100000748654_100011215043 [0,1,0,1,0,0|2,0,0]=4 22947 B11R1.214 OCCCN1CCC(C1)CO 34a_100000748654_100000230001 [0,1,0,1,0,0|2,0,0]=4 22948 B11R1.214 OC[C@H]1CC[C@H](C1)CNCF 34a_206354213956_100015361967 [0,1,0,1,0,0|2,0,0]=4 22949 B11R1.222 C#CC(C)N1CCCCC1C 34a_100000211376_200000035995 [0,1,0,1,0,0|2,0,0]=4 22950 B11R1.222 C=CC(C)N1CCCCC1C 269982a_100000211376_100011215867 [0,1,0,1,0,0|2,0,0]=4 22951 B11R1.222 CC(C#N)N1CCCCC1C 2230a_100000211376_100000184139 [0,1,0,1,0,0|2,0,0]=4 22952 B11R1.222 CC(C#N)N1CCCCC1C 269982a_100000211376_100000703298 [0,1,0,1,0,0|2,0,0]=4 22953 B11R1.222 CC(CO)N1CCCCC1C 2230a_100000211376_100012180447 [0,1,0,1,0,0|1,0,0]=3 22954 B11R1.222 CC(CO)N1CCCCC1C 34a_100000211376_100012180447 [0,1,0,1,0,0|1,0,0]=3 22955 B11R1.222 CC(CO)N1CCOC[C@@H]1C 2230a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 22956 B11R1.222 CC(CO)N1CCOC[C@@H]1C 34a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 22957 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,1,0,1,0,0|0,0,2]=4 22958 B11R1.222 CC1CCCCN1[C@H](C)CO 269982a_100000211376_100016084084 [0,1,0,1,0,0|1,0,0]=3 22959 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|0,0,2]=4 22960 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 22961 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 22962 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,1,0,1,0,0|2,0,0]=4 22963 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,1,0,1,0,0|0,0,2]=4 22964 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,1,0,1,0,0|0,0,2]=4 22965 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,1,0,1,0,0|0,0,2]=4 22966 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,1,0,1,0,0|0,0,2]=4 22967 B11R1.222 COC(C)N1CCCCC1C 269982a_100000211376_100009879195 [0,1,0,1,0,0|1,0,0]=3 22968 B11R1.222 COC(C)N1CCOC[C@@H]1C 269982a_100009815349_100009879195 [0,1,0,1,0,0|2,0,0]=4 22969 B11R1.222 C[C@H](CO)N1CCOC[C@@H]1C 269982a_100009815349_100016084084 [0,1,0,1,0,0|2,0,0]=4 22970 B11R1.228 C#CC(C)OC1CCCC1C 34a_100011216460_200000035995 [0,1,0,1,0,0|2,0,0]=4 22971 B11R1.228 C=CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100000730141 [0,1,0,1,0,0|1,0,1]=4 22972 B11R1.228 C=CC(O)CN1CCC[C@H]1C 2230a_100015189458_100000730141 [0,1,0,1,0,0|1,0,1]=4 22973 B11R1.228 C=CC(O)CN1CCC[C@H]1C 34a_100015189458_100000730141 [0,1,0,1,0,0|1,0,1]=4 22974 B11R1.228 CC(C#N)OC1CCCC1C 7a_100011216460_100000703298 [0,1,0,1,0,0|2,0,0]=4 22975 B11R1.228 CC(CO)OC1CCCC1C 34a_100011216460_100012180447 [0,1,0,1,0,0|1,0,0]=3 22976 B11R1.228 CC(CO)OC1CCCC1C 7a_100011216460_100012180447 [0,1,0,1,0,0|1,0,0]=3 22977 B11R1.228 CC(CO)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012180447 [0,1,0,1,0,0|2,0,0]=4 22978 B11R1.228 CC(CO)O[C@H]1CCC[C@@H]1N 34a_100000748460_100012180447 [0,1,0,1,0,0|2,0,0]=4 22979 B11R1.228 CC(CO)O[C@H]1CNC[C@H]1C 34a_200015306588_100012180447 [0,1,0,1,0,0|2,0,0]=4 22980 B11R1.228 CC(CO)S[C@@H]1CCC[C@H]1O 62a_100012180447_200016002552 [0,1,0,1,0,0|2,0,0]=4 22981 B11R1.228 CC1CCCC1N[C@H](C)CF 269862a_100102880703_100000752053 [0,1,0,1,0,0|2,0,0]=4 22982 B11R1.228 CC1CCCC1N[C@H](C)CO 269862a_100000737577_100000752053 [0,1,0,1,0,0|1,0,0]=3 22983 B11R1.228 CC1OCCC1N[C@H](C)CO 270004a_100000737577_100000691750 [0,1,0,1,0,0|2,0,0]=4 22984 B11R1.228 CC1SCCN1CC(O)CO 2230a_200011216479_100011219619 [0,1,0,1,0,0|2,0,0]=4 22985 B11R1.228 CC1SCCN1CC(O)CO 34a_200011216479_100011219619 [0,1,0,1,0,0|2,0,0]=4 22986 B11R1.228 CC1SCCN1C[C@@H](C)CO 2230a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 22987 B11R1.228 CC1SCCN1C[C@@H](C)CO 269982a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 22988 B11R1.228 CC1SCCN1C[C@@H](C)CO 34a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 22989 B11R1.228 CC1SCCN1C[C@@H](O)CF 2230a_200011216479_100015614560 [0,1,0,1,0,0|2,0,0]=4 22990 B11R1.228 CC1SCCN1C[C@@H](O)CF 34a_200011216479_100015614560 [0,1,0,1,0,0|2,0,0]=4 22991 B11R1.228 CC1SCCN1C[C@@H](O)CO 2230a_200011216479_100009815848 [0,1,0,1,0,0|2,0,0]=4 22992 B11R1.228 CC1SCCN1C[C@@H](O)CO 34a_200011216479_100009815848 [0,1,0,1,0,0|2,0,0]=4 22993 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,1,0,1,0,0|2,0,0]=4 22994 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,1,0,1,0,0|2,0,0]=4 22995 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,1,0,1,0,0|2,0,0]=4 22996 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 22997 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 22998 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,1,0,1,0,0|2,0,0]=4 22999 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 23000 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,1,0,1,0,0|2,0,0]=4 23001 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,1,0,1,0,0|2,0,0]=4 23002 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,1,0,1,0,0|2,0,0]=4 23003 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,1,0,1,0,0|1,0,0]=3 23004 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,1,0,1,0,0|1,0,0]=3 23005 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 23006 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 23007 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 23008 B11R1.228 CCC(O)CN1CCSC1C 2230a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 23009 B11R1.228 CCC(O)CN1CCSC1C 269982a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 23010 B11R1.228 CCC(O)CN1CCSC1C 34a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 23011 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,1,0,1,0,0|2,0,0]=4 23012 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,1,0,1,0,0|2,0,0]=4 23013 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 23014 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 23015 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 23016 B11R1.228 COC(C)S[C@@H]1CCC[C@H]1O 62a_100009879195_200016002552 [0,1,0,1,0,0|2,0,0]=4 23017 B11R1.228 COC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100009879195 [0,1,0,1,0,0|2,0,0]=4 23018 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 2230a_100020605311_100000059175 [0,1,0,1,0,0|1,0,0]=3 23019 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 269982a_100020605311_100000059175 [0,1,0,1,0,0|1,0,0]=3 23020 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 2230a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 23021 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 269982a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 23022 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 34a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 23023 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,1,0,1,0,0|1,0,0]=3 23024 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,1,0,1,0,0|1,0,0]=3 23025 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 2230a_100015189458_100015614560 [0,1,0,1,0,0|1,0,0]=3 23026 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 34a_100015189458_100015614560 [0,1,0,1,0,0|1,0,0]=3 23027 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,1,0,1,0,0|1,0,0]=3 23028 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,1,0,1,0,0|1,0,0]=3 23029 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_100016084084_200016002552 [0,1,0,1,0,0|2,0,0]=4 23030 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_200016002552_100016084084 [0,1,0,1,0,0|2,0,0]=4 23031 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,1,0,1,0,0|1,0,0]=3 23032 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CF 2230a_100020605311_100015614560 [0,1,0,1,0,0|1,0,0]=3 23033 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,1,0,1,0,0|1,0,0]=3 23034 B11R1.236 C=CC(C)COCC1CCC1 34a_100011215527_100000763275 [0,1,0,1,0,0|2,0,0]=4 23035 B11R1.236 C=CC(C)COCC1CCC1 7a_100011215527_100000763275 [0,1,0,1,0,0|2,0,0]=4 23036 B11R1.236 C=CC(O)CNCC1CCC1 2230a_100000738700_100000730141 [0,1,0,1,0,0|1,0,1]=4 23037 B11R1.236 C=CC(O)CNCC1CCC1 34a_100000738700_100000730141 [0,1,0,1,0,0|1,0,1]=4 23038 B11R1.236 C=CC(O)COCC1CCC1 34a_100000760304_100000730141 [0,1,0,1,0,0|1,0,1]=4 23039 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000730141_100000763275 [0,1,0,1,0,0|1,0,1]=4 23040 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000763275_100000730141 [0,1,0,1,0,0|1,0,1]=4 23041 B11R1.236 CC(CN)COCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|2,0,0]=4 23042 B11R1.236 CC(CO)CCNC1CCC1 270004a_106354213184_100000241760 [0,1,0,1,0,0|1,0,0]=3 23043 B11R1.236 CC(CO)CCNC1CCC1 34a_106354213184_100000749161 [0,1,0,1,0,0|1,0,0]=3 23044 B11R1.236 CC(CO)CCNC1COC1 34a_106354213184_100009818527 [0,1,0,1,0,0|2,0,0]=4 23045 B11R1.236 CC(CO)CNCC1CCC1 269862a_100000744482_100000753134 [0,1,0,1,0,0|1,0,0]=3 23046 B11R1.236 CC(CO)CNCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|1,0,0]=3 23047 B11R1.236 CC(CO)CNCC1CCO1 34a_100000744482_100000103362 [0,1,0,1,0,0|2,0,0]=4 23048 B11R1.236 CC(CO)CNCC1COC1 34a_100000744482_100010264016 [0,1,0,1,0,0|2,0,0]=4 23049 B11R1.236 CC(CO)OCCC1COC1 34a_100009855314_100012180447 [0,1,0,1,0,0|2,0,0]=4 23050 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,1,0,1,0,0|2,0,0]=4 23051 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,1,0,1,0,0|2,0,0]=4 23052 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,1,0,1,0,0|2,0,0]=4 23053 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,1,0,1,0,0|2,0,0]=4 23054 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,1,0,1,0,0|2,0,0]=4 23055 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,1,0,1,0,0|2,0,0]=4 23056 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,1,0,1,0,0|2,0,0]=4 23057 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,1,0,1,0,0|2,0,0]=4 23058 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,1,0,1,0,0|2,0,0]=4 23059 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,1,0,1,0,0|1,0,0]=3 23060 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,1,0,1,0,0|1,0,0]=3 23061 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,1,0,1,0,0|1,0,0]=3 23062 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,1,0,1,0,0|1,0,0]=3 23063 B11R1.236 CCC(O)CNCC1CCO1 2230a_100011218483_100000103362 [0,1,0,1,0,0|2,0,0]=4 23064 B11R1.236 CCC(O)CNCC1COC1 2230a_100011218483_100010264016 [0,1,0,1,0,0|2,0,0]=4 23065 B11R1.236 CCC(O)CNCC1COC1 2230a_100015281925_100011218378 [0,1,0,1,0,0|2,0,0]=4 23066 B11R1.236 CCC(O)CNCC1COC1 34a_100015281925_100011218378 [0,1,0,1,0,0|2,0,0]=4 23067 B11R1.236 CCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218378 [0,1,0,1,0,0|2,0,0]=4 23068 B11R1.236 CCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218378 [0,1,0,1,0,0|2,0,0]=4 23069 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,1,0,1,0,0|1,0,0]=3 23070 B11R1.236 CCC(O)COCC1CCO1 34a_100000039022_100011218378 [0,1,0,1,0,0|2,0,0]=4 23071 B11R1.236 CCC(O)COCC1CNC1 34a_100016987283_100011218378 [0,1,0,1,0,0|2,0,0]=4 23072 B11R1.236 CCC(O)COCC1COC1 34a_100000060846_100011218378 [0,1,0,1,0,0|2,0,0]=4 23073 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,1,0,1,0,0|1,0,0]=3 23074 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,1,0,1,0,0|1,0,0]=3 23075 B11R1.236 CCC(O)CSCC1CCO1 62a_100000103362_100011218378 [0,1,0,1,0,0|2,0,0]=4 23076 B11R1.236 CCC(O)CSCC1CCO1 62a_100011218378_100000103362 [0,1,0,1,0,0|2,0,0]=4 23077 B11R1.236 CCC(O)CSCC1COC1 62a_100010264016_100011218378 [0,1,0,1,0,0|2,0,0]=4 23078 B11R1.236 CCC(O)CSCC1COC1 62a_100011218378_100010264016 [0,1,0,1,0,0|2,0,0]=4 23079 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,1,0,1,0,0|2,0,0]=4 23080 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,1,0,1,0,0|2,0,0]=4 23081 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,1,0,1,0,0|2,0,0]=4 23082 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,1,0,1,0,0|2,0,0]=4 23083 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,1,0,1,0,0|2,0,0]=4 23084 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,1,0,1,0,0|2,0,0]=4 23085 B11R1.236 COC(C)CCOC1COC1 7a_100000764861_100009818527 [0,1,0,1,0,0|2,0,0]=4 23086 B11R1.236 COC(C)COCC1CCC1 34a_100000690652_100000763275 [0,1,0,1,0,0|1,0,0]=3 23087 B11R1.236 COC(C)COCC1CCO1 34a_100000690652_100000103362 [0,1,0,1,0,0|2,0,0]=4 23088 B11R1.236 COC(C)COCC1COC1 34a_100000690652_100010264016 [0,1,0,1,0,0|2,0,0]=4 23089 B11R1.236 CO[C@H](C)CNCC1CCC1 2230a_100020591295_100000763275 [0,1,0,1,0,0|1,0,0]=3 23090 B11R1.236 CO[C@H](C)CNCC1CCC1 269862a_100020591295_100000753134 [0,1,0,1,0,0|1,0,0]=3 23091 B11R1.236 CO[C@H](C)CNCC1CCO1 2230a_100020591295_100000103362 [0,1,0,1,0,0|2,0,0]=4 23092 B11R1.236 CO[C@H](C)CNCC1COC1 2230a_100020591295_100010264016 [0,1,0,1,0,0|2,0,0]=4 23093 B11R1.236 C[C@@H](CO)CNCC1CCC1 2230a_100000738700_100000059175 [0,1,0,1,0,0|1,0,0]=3 23094 B11R1.236 C[C@@H](CO)CNCC1CCC1 34a_100000738700_100000059175 [0,1,0,1,0,0|1,0,0]=3 23095 B11R1.236 C[C@@H](CO)CNCC1COC1 2230a_100015281925_100000059175 [0,1,0,1,0,0|2,0,0]=4 23096 B11R1.236 C[C@@H](CO)CNCC1COC1 34a_100015281925_100000059175 [0,1,0,1,0,0|2,0,0]=4 23097 B11R1.236 C[C@@H](CO)CNC[C@@H]1CCO1 2230a_100020831831_100000059175 [0,1,0,1,0,0|2,0,0]=4 23098 B11R1.236 C[C@@H](CO)CNC[C@@H]1CCO1 34a_100020831831_100000059175 [0,1,0,1,0,0|2,0,0]=4 23099 B11R1.236 C[C@@H](CO)COCC1CCC1 34a_100000760304_100000059175 [0,1,0,1,0,0|1,0,0]=3 23100 B11R1.236 C[C@@H](CO)COCC1CCO1 34a_100000039022_100000059175 [0,1,0,1,0,0|2,0,0]=4 23101 B11R1.236 C[C@@H](CO)COCC1CNC1 34a_100016987283_100000059175 [0,1,0,1,0,0|2,0,0]=4 23102 B11R1.236 C[C@@H](CO)COCC1COC1 34a_100000060846_100000059175 [0,1,0,1,0,0|2,0,0]=4 23103 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000059175_100000763275 [0,1,0,1,0,0|1,0,0]=3 23104 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000763275_100000059175 [0,1,0,1,0,0|1,0,0]=3 23105 B11R1.236 C[C@@H](CO)CSCC1CCO1 62a_100000059175_100000103362 [0,1,0,1,0,0|2,0,0]=4 23106 B11R1.236 C[C@@H](CO)CSCC1CCO1 62a_100000103362_100000059175 [0,1,0,1,0,0|2,0,0]=4 23107 B11R1.236 C[C@@H](CO)CSCC1COC1 62a_100000059175_100010264016 [0,1,0,1,0,0|2,0,0]=4 23108 B11R1.236 C[C@@H](CO)CSCC1COC1 62a_100010264016_100000059175 [0,1,0,1,0,0|2,0,0]=4 23109 B11R1.236 ClCC(Cl)COCC1CCC1 34a_100000033668_100000763275 [0,1,0,1,0,0|2,0,0]=4 23110 B11R1.236 NC[C@@H](F)COCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|2,0,0]=4 23111 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,1,0,1,0,0|1,0,0]=3 23112 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,1,0,1,0,0|1,0,0]=3 23113 B11R1.236 OCC(O)CNCC1COC1 2230a_100015281925_100011219619 [0,1,0,1,0,0|2,0,0]=4 23114 B11R1.236 OCC(O)CNCC1COC1 34a_100015281925_100011219619 [0,1,0,1,0,0|2,0,0]=4 23115 B11R1.236 OCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011219619 [0,1,0,1,0,0|2,0,0]=4 23116 B11R1.236 OCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011219619 [0,1,0,1,0,0|2,0,0]=4 23117 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,1,0,1,0,0|1,0,0]=3 23118 B11R1.236 OCC(O)COCC1CCO1 34a_100000039022_100011219619 [0,1,0,1,0,0|2,0,0]=4 23119 B11R1.236 OCC(O)COCC1CNC1 34a_100016987283_100011219619 [0,1,0,1,0,0|2,0,0]=4 23120 B11R1.236 OCC(O)COCC1COC1 34a_100000060846_100011219619 [0,1,0,1,0,0|2,0,0]=4 23121 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,1,0,1,0,0|1,0,0]=3 23122 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,1,0,1,0,0|1,0,0]=3 23123 B11R1.236 OCC(O)CSCC1CCO1 62a_100000103362_100011219619 [0,1,0,1,0,0|2,0,0]=4 23124 B11R1.236 OCC(O)CSCC1CCO1 62a_100011219619_100000103362 [0,1,0,1,0,0|2,0,0]=4 23125 B11R1.236 OCC(O)CSCC1COC1 62a_100010264016_100011219619 [0,1,0,1,0,0|2,0,0]=4 23126 B11R1.236 OCC(O)CSCC1COC1 62a_100011219619_100010264016 [0,1,0,1,0,0|2,0,0]=4 23127 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,1,0,1,0,0|1,0,0]=3 23128 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,1,0,1,0,0|1,0,0]=3 23129 B11R1.236 OC[C@@H](O)CNCC1CCO1 2230a_100020644852_100000103362 [0,1,0,1,0,0|2,0,0]=4 23130 B11R1.236 OC[C@@H](O)CNCC1COC1 2230a_100020644852_100010264016 [0,1,0,1,0,0|2,0,0]=4 23131 B11R1.236 OC[C@H](F)CNCC1CCC1 269862a_100015665980_100000753134 [0,1,0,1,0,0|2,0,0]=4 23132 B11R1.236 OC[C@H](F)CNCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|2,0,0]=4 23133 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,1,0,1,0,0|1,0,0]=3 23134 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,1,0,1,0,0|1,0,0]=3 23135 B11R1.236 OC[C@H](O)CNCC1COC1 2230a_100015281925_100009815848 [0,1,0,1,0,0|2,0,0]=4 23136 B11R1.236 OC[C@H](O)CNCC1COC1 34a_100015281925_100009815848 [0,1,0,1,0,0|2,0,0]=4 23137 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009815848 [0,1,0,1,0,0|2,0,0]=4 23138 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009815848 [0,1,0,1,0,0|2,0,0]=4 23139 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,1,0,1,0,0|1,0,0]=3 23140 B11R1.236 OC[C@H](O)COCC1CCO1 34a_100000039022_100009815848 [0,1,0,1,0,0|2,0,0]=4 23141 B11R1.236 OC[C@H](O)COCC1CNC1 34a_100016987283_100009815848 [0,1,0,1,0,0|2,0,0]=4 23142 B11R1.236 OC[C@H](O)COCC1COC1 34a_100000060846_100009815848 [0,1,0,1,0,0|2,0,0]=4 23143 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,1,0,1,0,0|1,0,0]=3 23144 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,1,0,1,0,0|1,0,0]=3 23145 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100000103362_100009815848 [0,1,0,1,0,0|2,0,0]=4 23146 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100009815848_100000103362 [0,1,0,1,0,0|2,0,0]=4 23147 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100009815848_100010264016 [0,1,0,1,0,0|2,0,0]=4 23148 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100010264016_100009815848 [0,1,0,1,0,0|2,0,0]=4 23149 B11R1.236 O[C@@H](CF)CNCC1CCC1 2230a_100000738700_100015614560 [0,1,0,1,0,0|1,0,0]=3 23150 B11R1.236 O[C@@H](CF)CNCC1CCC1 34a_100000738700_100015614560 [0,1,0,1,0,0|1,0,0]=3 23151 B11R1.236 O[C@@H](CF)CNCC1COC1 2230a_100015281925_100015614560 [0,1,0,1,0,0|2,0,0]=4 23152 B11R1.236 O[C@@H](CF)CNCC1COC1 34a_100015281925_100015614560 [0,1,0,1,0,0|2,0,0]=4 23153 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 2230a_100020831831_100015614560 [0,1,0,1,0,0|2,0,0]=4 23154 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 34a_100020831831_100015614560 [0,1,0,1,0,0|2,0,0]=4 23155 B11R1.236 O[C@@H](CF)COCC1CCC1 34a_100000760304_100015614560 [0,1,0,1,0,0|1,0,0]=3 23156 B11R1.236 O[C@@H](CF)COCC1CCO1 34a_100000039022_100015614560 [0,1,0,1,0,0|2,0,0]=4 23157 B11R1.236 O[C@@H](CF)COCC1CNC1 34a_100016987283_100015614560 [0,1,0,1,0,0|2,0,0]=4 23158 B11R1.236 O[C@@H](CF)COCC1COC1 34a_100000060846_100015614560 [0,1,0,1,0,0|2,0,0]=4 23159 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100000763275_100015614560 [0,1,0,1,0,0|1,0,0]=3 23160 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100015614560_100000763275 [0,1,0,1,0,0|1,0,0]=3 23161 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100000103362_100015614560 [0,1,0,1,0,0|2,0,0]=4 23162 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100015614560_100000103362 [0,1,0,1,0,0|2,0,0]=4 23163 B11R1.236 O[C@@H](CF)CSCC1COC1 62a_100010264016_100015614560 [0,1,0,1,0,0|2,0,0]=4 23164 B11R1.236 O[C@@H](CF)CSCC1COC1 62a_100015614560_100010264016 [0,1,0,1,0,0|2,0,0]=4 23165 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,1,0,1,0,0|2,0,0]=4 23166 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,1,0,1,0,0|2,0,0]=4 23167 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,1,0,1,0,0|2,0,0]=4 23168 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,1,0,1,0,0|1,0,0]=3 23169 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,1,0,1,0,0|2,0,0]=4 23170 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,1,0,1,0,0|2,0,0]=4 23171 B11R1.383 CCN1CCOCC(C1)CO 2230a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 23172 B11R1.383 CCN1CCOCC(C1)CO 269982a_100103147999_100000204670 [0,1,0,1,0,0|2,0,0]=4 23173 B11R1.383 CCN1CCOCC(C1)CO 34a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 23174 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,1,0,1,0,0|1,0,0]=3 23175 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,1,0,1,0,0|1,0,0]=3 23176 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215890 [0,1,0,1,0,0|2,0,0]=4 23177 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215890 [0,1,0,1,0,0|2,0,0]=4 23178 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000757381 [0,1,0,1,0,0|2,0,0]=4 23179 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000757381 [0,1,0,1,0,0|2,0,0]=4 23180 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000740836 [0,1,0,1,0,0|2,0,0]=4 23181 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000740836 [0,1,0,1,0,0|2,0,0]=4 23182 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 2230a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 23183 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 269982a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 23184 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 2230a_206633788156_100000210776 [0,1,0,1,0,0|2,0,0]=4 23185 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 269982a_206633788156_100000210776 [0,1,0,1,0,0|2,0,0]=4 23186 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,1,0,1,0,0|2,0,0]=4 23187 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,1,0,1,0,0|2,0,0]=4 23188 B11R1.759 CCCCCN1CC(C1)CF 269982a_100010363649_100000210215 [0,1,0,1,0,0|2,0,0]=4 23189 B11R1.759 CCCCCN1CC(C1)CF 34a_100010363649_100000718602 [0,1,0,1,0,0|2,0,0]=4 23190 B11R1.759 CCCCCN1CC(C1)CO 269982a_100016987283_100000210215 [0,1,0,1,0,0|1,0,0]=3 23191 B11R1.759 CCCCCN1CC(C1)CO 34a_100016987283_100000718602 [0,1,0,1,0,0|1,0,0]=3 23192 B11R1.759 CCCCCN1CC(C1)OC 269982a_100000755009_100000210215 [0,1,0,1,0,0|1,0,0]=3 23193 B11R1.759 CCCCCN1CC(C1)SC 269982a_100016990038_100000210215 [0,1,0,1,0,0|1,1,0]=4 23194 B11R1.759 CCCCNC1CC(C1)C#N 270004a_100000102301_100000077199 [0,1,0,1,0,0|2,0,0]=4 23195 B11R1.759 CCCCNC1CC(C1)CO 270004a_100000102301_100000101936 [0,1,0,1,0,0|1,0,0]=3 23196 B11R1.759 CCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210211 [0,1,0,1,0,0|1,0,0]=3 23197 B11R1.759 CCCCSC1CC(C1)CO 62a_100000210211_100009874164 [0,1,0,1,0,0|1,0,0]=3 23198 B11R1.759 CCCCSC1CC(C1)CO 62a_100009874164_100000210210 [0,1,0,1,0,0|1,0,0]=3 23199 B11R1.759 CCOCCN1CC(C1)CO 269982a_100016987283_100011215890 [0,1,0,1,0,0|2,0,0]=4 23200 B11R1.759 CCOCCN1CC(C1)CO 34a_100016987283_100000210147 [0,1,0,1,0,0|2,0,0]=4 23201 B11R1.759 CCOCCN1CC(C1)OC 269982a_100000755009_100011215890 [0,1,0,1,0,0|2,0,0]=4 23202 B11R1.759 CCOCSC1CC(C1)CO 62a_100000739092_100009874164 [0,1,0,1,0,0|2,0,0]=4 23203 B11R1.759 CCOCSC1CC(C1)CO 62a_100009874164_100000739092 [0,1,0,1,0,0|2,0,0]=4 23204 B11R1.759 CCSCCN1CC(C1)CO 269982a_100016987283_100000757381 [0,1,0,1,0,0|2,0,0]=4 23205 B11R1.759 CCSCCN1CC(C1)CO 34a_100016987283_100000757381 [0,1,0,1,0,0|2,0,0]=4 23206 B11R1.759 CCSCCN1CC(C1)OC 269982a_100000755009_100000757381 [0,1,0,1,0,0|2,0,0]=4 23207 B11R1.759 COC1CN(C1)CCCCF 269982a_100000755009_100000729493 [0,1,0,1,0,0|2,0,0]=4 23208 B11R1.759 COC1CN(C1)CCCCO 269982a_100000755009_100000210776 [0,1,0,1,0,0|2,0,0]=4 23209 B11R1.759 COCCCN1CC(C1)CO 269982a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 23210 B11R1.759 COCCCN1CC(C1)CO 34a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 23211 B11R1.759 COCCCN1CC(C1)OC 269982a_100000755009_100000740836 [0,1,0,1,0,0|2,0,0]=4 23212 B11R1.759 COCCNC1CC(C1)CO 270004a_100000209980_100000101936 [0,1,0,1,0,0|2,0,0]=4 23213 B11R1.759 COCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100011201679 [0,1,0,1,0,0|2,0,0]=4 23214 B11R1.759 COCCSC1CC(C1)CO 62a_100000233755_100009874164 [0,1,0,1,0,0|2,0,0]=4 23215 B11R1.759 COCCSC1CC(C1)CO 62a_100009874164_100000233755 [0,1,0,1,0,0|2,0,0]=4 23216 B11R1.759 CO[C@H]1C[C@@H](C1)NCCCF 2230a_100121570643_100011934791 [0,1,0,1,0,0|2,0,0]=4 23217 B11R1.759 CO[C@H]1C[C@@H](C1)NCCCO 2230a_100121570643_100000230001 [0,1,0,1,0,0|2,0,0]=4 23218 B11R1.759 CO[C@H]1C[C@@H](C1)NCCSC 2230a_100121570643_100000751147 [0,1,0,1,0,0|2,0,0]=4 23219 B11R1.759 CSCCNC1CC(C1)CO 270004a_100020590264_100000101936 [0,1,0,1,0,0|2,0,0]=4 23220 B11R1.759 CSCCSC1CC(C1)CO 62a_100000212216_100009874164 [0,1,0,1,0,0|2,0,0]=4 23221 B11R1.759 CSCCSC1CC(C1)CO 62a_100009874164_100000751147 [0,1,0,1,0,0|2,0,0]=4 23222 B11R1.759 OCC1CC(C1)NCCCF 270004a_100015189416_100000101936 [0,1,0,1,0,0|2,0,0]=4 23223 B11R1.759 OCC1CC(C1)SCCCF 62a_100009874164_100011934791 [0,1,0,1,0,0|2,0,0]=4 23224 B11R1.759 OCC1CC(C1)SCCCF 62a_100011934791_100009874164 [0,1,0,1,0,0|2,0,0]=4 23225 B11R1.759 OCC1CN(C1)CCCCF 269982a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 23226 B11R1.759 OCC1CN(C1)CCCCF 34a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 23227 B11R1.759 OCCCCN1CC(C1)CO 269982a_100016987283_100000210776 [0,1,0,1,0,0|2,0,0]=4 23228 B11R1.759 OCCCCN1CC(C1)CO 34a_100016987283_100011216708 [0,1,0,1,0,0|2,0,0]=4 23229 B11R1.759 OCCCNC1CC(C1)CO 270004a_100000182051_100000101936 [0,1,0,1,0,0|2,0,0]=4 23230 B11R1.759 OCCCSC1CC(C1)CO 62a_100009874164_100011215043 [0,1,0,1,0,0|2,0,0]=4 23231 B11R1.759 OCCCSC1CC(C1)CO 62a_100011215043_100009874164 [0,1,0,1,0,0|2,0,0]=4 23232 B11R1.852 C#CC(C)N1CCCCCC1 34a_100000185865_200000035995 [0,1,0,1,0,0|2,0,0]=4 23233 B11R1.852 C=CC(C)N1CCCCCC1 269982a_100000185865_100011215867 [0,1,0,1,0,0|2,0,0]=4 23234 B11R1.852 CC(C#N)N1CCCCCC1 2230a_100000185865_100000184139 [0,1,0,1,0,0|2,0,0]=4 23235 B11R1.852 CC(C#N)N1CCCCCC1 269982a_100000185865_100000703298 [0,1,0,1,0,0|2,0,0]=4 23236 B11R1.852 CC(CO)N1CCCCCC1 2230a_100000185865_100012180447 [0,1,0,1,0,0|1,0,0]=3 23237 B11R1.852 CC(CO)N1CCCCCC1 34a_100000185865_100012180447 [0,1,0,1,0,0|1,0,0]=3 23238 B11R1.852 CC(CO)N1CCCOCC1 2230a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 23239 B11R1.852 CC(CO)N1CCCOCC1 34a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 23240 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|0,0,2]=4 23241 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|0,0,2]=4 23242 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 23243 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 23244 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,1,0,1,0,0|2,0,0]=4 23245 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 23246 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 23247 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,1,0,1,0,0|2,0,0]=4 23248 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,1,0,1,0,0|2,0,0]=4 23249 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 23250 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 23251 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 23252 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 23253 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 23254 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 23255 B11R1.852 CN(CF)C1CCCCCC1 269982a_100015185097_100015361967 [0,1,0,1,0,0|2,0,0]=4 23256 B11R1.852 CN(CF)C1CCCCCC1 34a_100015185097_100015361967 [0,1,0,1,0,0|2,0,0]=4 23257 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|0,0,2]=4 23258 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|0,0,2]=4 23259 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|0,0,2]=4 23260 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|0,0,2]=4 23261 B11R1.852 COC(C)N1CCCCCC1 269982a_100000185865_100009879195 [0,1,0,1,0,0|1,0,0]=3 23262 B11R1.852 COC(C)N1CCCOCC1 269982a_100000685342_100009879195 [0,1,0,1,0,0|2,0,0]=4 23263 B11R1.852 C[C@H](CO)N1CCCCCC1 269982a_100000185865_100016084084 [0,1,0,1,0,0|1,0,0]=3 23264 B11R1.852 C[C@H](CO)N1CCCOCC1 269982a_100000685342_100016084084 [0,1,0,1,0,0|2,0,0]=4 23265 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|0,0,2]=4 23266 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,2]=4 23267 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210198_100000740388 [0,1,0,1,0,0|1,0,1]=4 23268 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210891_100000210206 [0,1,0,1,0,0|1,0,1]=4 23269 B11R1.35 CC(C)C(C)NC1CCCC1 2230a_100000211541_100000179811 [0,1,0,1,0,0|2,0,0]=4 23270 B11R1.35 CC(C)C(C)NC1CCCC1 270004a_100000211541_100000210133 [0,1,0,1,0,0|2,0,0]=4 23271 B11R1.35 CC(C)C(C)OC1CCCC1 7a_100000748068_100000179811 [0,1,0,1,0,0|2,0,0]=4 23272 B11R1.35 CC(C)N(C)CC1CCCC1 269982a_200000211004_100000740388 [0,1,0,1,0,0|2,0,0]=4 23273 B11R1.35 CC(CC1CCCC1)N(C)C 270004a_100102631434_100000692464 [0,1,0,1,0,0|2,0,0]=4 23274 B11R1.35 CC(F)C(=O)CC1CCCC1 1458a_100000062450_100000740388 [0,1,0,1,0,0|1,0,1]=4 23275 B11R1.35 C[C@@H](O)C(=O)CC1CCCC1 1458a_100000717761_100000740388 [0,1,0,1,0,0|0,0,1]=3 23276 B11R1.35 C[C@@H](O)C(=O)CC1CCCO1 1458a_100000717761_100000203698 [0,1,0,1,0,0|1,0,1]=4 23277 B11R1.35 C[C@@H](O)C(=O)CC1CCOC1 1458a_100000717761_100000702531 [0,1,0,1,0,0|1,0,1]=4 23278 B11R1.35 C[C@@H](O)C(=O)NC1CCCC1 240690a_100000211070_100000717761 [0,1,0,1,0,0|1,0,1]=4 23279 B11R1.35 C[C@H](O)C(=O)CC1CCCC1 1458a_217856618621_100000740388 [0,1,0,1,0,0|0,0,1]=3 23280 B11R1.35 C[C@H](O)C(=O)CC1CCCO1 1458a_217856618621_100000203698 [0,1,0,1,0,0|1,0,1]=4 23281 B11R1.35 C[C@H](O)C(=O)CC1CCOC1 1458a_217856618621_100000702531 [0,1,0,1,0,0|1,0,1]=4 23282 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 1626a_100000211070_217856618621 [0,1,0,1,0,0|1,0,1]=4 23283 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 240690a_100000211070_217856618621 [0,1,0,1,0,0|1,0,1]=4 23284 B11R1.35 O=C(CC1CCCC1)C(O)O 1458a_100000233687_100000740388 [0,1,0,1,0,0|1,0,1]=4 23285 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,1,0,0|0,0,2]=4 23286 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,1,0,0|0,0,2]=4 23287 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,1,0,0|0,0,2]=4 23288 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210198_100000210327 [0,1,0,1,0,0|1,0,1]=4 23289 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210647_100000210206 [0,1,0,1,0,0|1,0,1]=4 23290 B11R1.36 CC(C)N(C)C1CCCCC1 2230a_100000207522_100000210206 [0,1,0,1,0,0|2,0,0]=4 23291 B11R1.36 CC(C)N(C)C1CCCCC1 2230a_100025770988_200000210301 [0,1,0,1,0,0|2,0,0]=4 23292 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_100000207522_100000210206 [0,1,0,1,0,0|2,0,0]=4 23293 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_100025770988_200000210301 [0,1,0,1,0,0|2,0,0]=4 23294 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_200000211004_100000210327 [0,1,0,1,0,0|2,0,0]=4 23295 B11R1.36 CC(C)N(C)C1CCCCC1 270004a_200000211004_100000210434 [0,1,0,1,0,0|2,0,0]=4 23296 B11R1.36 CC(C)N(C)C1CCCCC1 34a_100000207522_100000210206 [0,1,0,1,0,0|2,0,0]=4 23297 B11R1.36 CC(C)N(C)C1CCCCC1 34a_100025770988_200000210301 [0,1,0,1,0,0|2,0,0]=4 23298 B11R1.36 CC(C)N([13CH3])C1CCCCC1 2230a_100025770988_200025704644 [0,1,0,1,0,0|2,0,0]=4 23299 B11R1.36 CC(C)N([13CH3])C1CCCCC1 269982a_100025770988_200025704644 [0,1,0,1,0,0|2,0,0]=4 23300 B11R1.36 CC(C)N([13CH3])C1CCCCC1 34a_100025770988_200025704644 [0,1,0,1,0,0|2,0,0]=4 23301 B11R1.36 CC(F)C(=O)C1CCCCC1 1458a_100000062450_100000210327 [0,1,0,1,0,0|1,0,1]=4 23302 B11R1.36 C[C@@H](O)C(=O)C1CCCCC1 1458a_100000717761_100000210327 [0,1,0,1,0,0|0,0,1]=3 23303 B11R1.36 C[C@@H](O)C(=O)C1CCCOC1 1458a_100000717761_100000693364 [0,1,0,1,0,0|1,0,1]=4 23304 B11R1.36 C[C@@H](O)C(=O)C1CCOCC1 1458a_100000717761_100011324220 [0,1,0,1,0,0|1,0,1]=4 23305 B11R1.36 C[C@H](O)C(=O)C1CCCCC1 1458a_217856618621_100000210327 [0,1,0,1,0,0|0,0,1]=3 23306 B11R1.36 C[C@H](O)C(=O)C1CCCOC1 1458a_217856618621_100000693364 [0,1,0,1,0,0|1,0,1]=4 23307 B11R1.36 C[C@H](O)C(=O)C1CCOCC1 1458a_217856618621_100011324220 [0,1,0,1,0,0|1,0,1]=4 23308 B11R1.36 O=C(C(O)O)C1CCCCC1 1458a_100000233687_100000210327 [0,1,0,1,0,0|1,0,1]=4 23309 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,1,0,0|0,0,2]=4 23310 B11R1.89 CC(C)C(=O)C1CCCC1C 1458a_100000690547_100000210206 [0,1,0,1,0,0|1,0,1]=4 23311 B11R1.89 C[C@@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000717761 [0,1,0,1,0,0|1,0,1]=4 23312 B11R1.89 C[C@@H]1CCCN1C(=O)[C@@H](C)O 240690a_100015189458_100000717761 [0,1,0,1,0,0|1,0,1]=4 23313 B11R1.89 C[C@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_217856618621 [0,1,0,1,0,0|1,0,1]=4 23314 B11R1.89 C[C@H](O)C(=O)N1CCC[C@H]1C 240690a_100015189458_217856618621 [0,1,0,1,0,0|1,0,1]=4 23315 B11R1.126 CCCN1CCC(C1(C)C)C 2230a_102516457003_100000210303 [0,1,0,1,0,0|2,0,0]=4 23316 B11R1.126 CCCN1CCC(C1(C)C)C 269982a_102516457003_100000210303 [0,1,0,1,0,0|2,0,0]=4 23317 B11R1.126 CCCN1CCC(C1(C)C)C 34a_102516457003_100000210303 [0,1,0,1,0,0|2,0,0]=4 23318 B11R1.192 CC1CCN(CC1O)CCF 2230a_100000696640_100011217306 [0,1,0,1,0,0|2,0,0]=4 23319 B11R1.192 CC1CCN(CC1O)CCF 269982a_100000696640_100011217306 [0,1,0,1,0,0|2,0,0]=4 23320 B11R1.192 CC1CCN(CC1O)CCO 2230a_100000696640_100000211926 [0,1,0,1,0,0|2,0,0]=4 23321 B11R1.192 CC1CCN(CC1O)CCO 269982a_100000696640_100000211926 [0,1,0,1,0,0|2,0,0]=4 23322 B11R1.192 CCCN1CCC(C(C1)C)O 2230a_100011998114_100000210303 [0,1,0,1,0,0|2,0,0]=4 23323 B11R1.192 CCCN1CCC(C(C1)C)O 269982a_100011998114_100000210303 [0,1,0,1,0,0|2,0,0]=4 23324 B11R1.192 CCCN1CCC(C(C1)O)C 2230a_100000696640_100000210303 [0,1,0,1,0,0|1,0,0]=3 23325 B11R1.192 CCCN1CCC(C(C1)O)C 269982a_100000696640_100000210303 [0,1,0,1,0,0|1,0,0]=3 23326 B11R1.192 CCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000210303 [0,1,0,1,0,0|2,0,0]=4 23327 B11R1.192 CCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000210303 [0,1,0,1,0,0|2,0,0]=4 23328 B11R1.192 CCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210303 [0,1,0,1,0,0|1,0,0]=3 23329 B11R1.192 CCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000210303 [0,1,0,1,0,0|1,0,0]=3 23330 B11R1.192 CCNC1CCC(C(C1)C)C 270004a_100015525214_100000759390 [0,1,0,1,0,0|2,0,0]=4 23331 B11R1.192 CCOC1CCC(C(C1)C)C 34a_100011215933_100000210202 [0,1,0,1,0,0|2,0,0]=4 23332 B11R1.192 CCOC1CCC(C(C1)C)C 7a_100011215933_100000210202 [0,1,0,1,0,0|2,0,0]=4 23333 B11R1.192 COCN1CCC(C(C1)O)C 2230a_100000696640_100000766300 [0,1,0,1,0,0|2,0,0]=4 23334 B11R1.192 COCN1CCC(C(C1)O)C 269982a_100000696640_100000766300 [0,1,0,1,0,0|2,0,0]=4 23335 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000766300 [0,1,0,1,0,0|2,0,0]=4 23336 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000766300 [0,1,0,1,0,0|2,0,0]=4 23337 B11R1.192 CSCN1CCC(C(C1)O)C 2230a_100000696640_100011218213 [0,1,0,1,0,0|2,0,0]=4 23338 B11R1.192 CSCN1CCC(C(C1)O)C 269982a_100000696640_100011218213 [0,1,0,1,0,0|2,0,0]=4 23339 B11R1.192 CSCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011218213 [0,1,0,1,0,0|2,0,0]=4 23340 B11R1.192 CSCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100011218213 [0,1,0,1,0,0|2,0,0]=4 23341 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000211926 [0,1,0,1,0,0|2,0,0]=4 23342 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000211926 [0,1,0,1,0,0|2,0,0]=4 23343 B11R1.192 O[C@@H]1CCN(C[C@@H]1O)CCF 2230a_100000690696_100011217306 [0,1,0,1,0,0|2,0,0]=4 23344 B11R1.192 O[C@@H]1CCN(C[C@@H]1O)CCF 269982a_100000690696_100011217306 [0,1,0,1,0,0|2,0,0]=4 23345 B11R1.231 CCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210211 [0,1,0,1,0,0|1,0,0]=3 23346 B11R1.231 CCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210211 [0,1,0,1,0,0|1,0,0]=3 23347 B11R1.231 CCCCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000210211 [0,1,0,1,0,0|2,0,0]=4 23348 B11R1.231 CCCCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000210210 [0,1,0,1,0,0|2,0,0]=4 23349 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210211 [0,1,0,1,0,0|1,0,0]=3 23350 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210211 [0,1,0,1,0,0|1,0,0]=3 23351 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210211 [0,1,0,1,0,0|1,0,0]=3 23352 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210211 [0,1,0,1,0,0|1,0,0]=3 23353 B11R1.231 CCOCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000739092 [0,1,0,1,0,0|2,0,0]=4 23354 B11R1.231 CCOCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000739092 [0,1,0,1,0,0|2,0,0]=4 23355 B11R1.231 CCOCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000739092 [0,1,0,1,0,0|2,0,0]=4 23356 B11R1.231 COCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100011201679 [0,1,0,1,0,0|2,0,0]=4 23357 B11R1.231 COCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000233755 [0,1,0,1,0,0|2,0,0]=4 23358 B11R1.231 COCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100011201679 [0,1,0,1,0,0|2,0,0]=4 23359 B11R1.231 COCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000233755 [0,1,0,1,0,0|2,0,0]=4 23360 B11R1.231 COCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011201679 [0,1,0,1,0,0|2,0,0]=4 23361 B11R1.231 COCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000233755 [0,1,0,1,0,0|2,0,0]=4 23362 B11R1.231 CSCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000751147 [0,1,0,1,0,0|2,0,0]=4 23363 B11R1.231 CSCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000212216 [0,1,0,1,0,0|2,0,0]=4 23364 B11R1.231 CSCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000751147 [0,1,0,1,0,0|2,0,0]=4 23365 B11R1.231 CSCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000212216 [0,1,0,1,0,0|2,0,0]=4 23366 B11R1.231 CSCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000751147 [0,1,0,1,0,0|2,0,0]=4 23367 B11R1.231 CSCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000212216 [0,1,0,1,0,0|2,0,0]=4 23368 B11R1.231 C[C@@H]1CN(C[C@@H]1O)CCCF 2230a_200015306588_100011934791 [0,1,0,1,0,0|2,0,0]=4 23369 B11R1.231 C[C@@H]1CN(C[C@@H]1O)CCCF 269982a_200015306588_100011934791 [0,1,0,1,0,0|2,0,0]=4 23370 B11R1.231 C[C@@H]1CN(C[C@@H]1O)CCCO 2230a_200015306588_100000230001 [0,1,0,1,0,0|2,0,0]=4 23371 B11R1.231 C[C@@H]1CN(C[C@@H]1O)CCCO 269982a_200015306588_100011215043 [0,1,0,1,0,0|2,0,0]=4 23372 B11R1.231 OCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000230001 [0,1,0,1,0,0|2,0,0]=4 23373 B11R1.231 OCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100011215043 [0,1,0,1,0,0|2,0,0]=4 23374 B11R1.231 OCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000230001 [0,1,0,1,0,0|2,0,0]=4 23375 B11R1.231 OCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011215043 [0,1,0,1,0,0|2,0,0]=4 23376 B11R1.231 O[C@@H]1CN(C[C@@H]1O)CCCF 2230a_100015207562_100011934791 [0,1,0,1,0,0|2,0,0]=4 23377 B11R1.231 O[C@@H]1CN(C[C@@H]1O)CCCF 269982a_100015207562_100011934791 [0,1,0,1,0,0|2,0,0]=4 23378 B11R1.231 O[C@H]1CN(C[C@@H]1F)CCCF 2230a_100020590056_100011934791 [0,1,0,1,0,0|2,0,0]=4 23379 B11R1.231 O[C@H]1CN(C[C@@H]1F)CCCF 269982a_100020590056_100011934791 [0,1,0,1,0,0|2,0,0]=4 23380 B11R1.332 CC(C)C(C)NCC1CCC1 2230a_100000211541_100000763275 [0,1,0,1,0,0|2,0,0]=4 23381 B11R1.332 CC(C)C(C)NCC1CCC1 269862a_100000211541_100000753134 [0,1,0,1,0,0|2,0,0]=4 23382 B11R1.332 CC(C)C(C)OCC1CCC1 7a_100000748068_100000763275 [0,1,0,1,0,0|2,0,0]=4 23383 B11R1.332 CC(C)C(O)CNC1CCC1 270004a_100000759067_100000241760 [0,1,0,1,0,0|2,0,0]=4 23384 B11R1.332 CC(C)C(O)CNC1CCC1 34a_100000759067_100000749161 [0,1,0,1,0,0|2,0,0]=4 23385 B11R1.332 CC(C)[C@@H](N)COC1CCC1 34a_100011830312_100000749161 [0,1,0,1,0,0|2,0,0]=4 23386 B11R1.332 C[C@@H](O)C(=O)NCC1CCC1 240690a_100000738700_100000717761 [0,1,0,1,0,0|1,0,1]=4 23387 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 1626a_100000738700_217856618621 [0,1,0,1,0,0|1,0,1]=4 23388 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 240690a_100000738700_217856618621 [0,1,0,1,0,0|1,0,1]=4 23389 B11R1.333 CC(C)C(C)NCCC1CC1 2230a_100000211541_100000694398 [0,1,0,1,0,0|2,0,0]=4 23390 B11R1.333 CC(C)C(C)OCCC1CC1 7a_100000748068_100000764125 [0,1,0,1,0,0|2,0,0]=4 23391 B11R1.333 CC(C)C(N)CCOC1CC1 34a_100161115045_100000211595 [0,1,0,1,0,0|2,0,0]=4 23392 B11R1.333 CC(C)C(O)CNCC1CC1 2230a_100000759067_100000742324 [0,1,0,1,0,0|2,0,0]=4 23393 B11R1.333 CC(C)C(O)CNCC1CC1 269862a_100000759067_100000741477 [0,1,0,1,0,0|2,0,0]=4 23394 B11R1.333 CC(C)C(O)CNCC1CC1 34a_100000759067_100000742324 [0,1,0,1,0,0|2,0,0]=4 23395 B11R1.333 CC(C)[C@@H](N)COCC1CC1 34a_100011830312_100000742324 [0,1,0,1,0,0|2,0,0]=4 23396 B11R1.333 C[C@@H](O)C(=O)CCCC1CO1 1458a_100000717761_100000733510 [0,1,0,1,0,0|1,0,1]=4 23397 B11R1.333 C[C@@H](O)C(=O)NCCC1CC1 240690a_100000764129_100000717761 [0,1,0,1,0,0|1,0,1]=4 23398 B11R1.333 C[C@H](O)C(=O)CCCC1CO1 1458a_217856618621_100000733510 [0,1,0,1,0,0|1,0,1]=4 23399 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 1626a_100000764129_217856618621 [0,1,0,1,0,0|1,0,1]=4 23400 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 240690a_100000764129_217856618621 [0,1,0,1,0,0|1,0,1]=4 23401 B11R1.356 CC(NCCCCO)C1CO1 270004a_100000750430_100000031964 [0,1,0,1,0,0|2,0,0]=4 23402 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|1,0,1]=4 23403 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|0,0,1]=3 23404 B11R1.356 CCCCCCN(C)C1CC1 2230a_100000226674_100000210314 [0,1,0,1,0,0|2,0,0]=4 23405 B11R1.356 CCCCCCN(C)C1CC1 269982a_100000226674_100000210757 [0,1,0,1,0,0|2,0,0]=4 23406 B11R1.356 CCCCCCN(C)C1CC1 269982a_106256046315_100000211595 [0,1,0,1,0,0|2,0,0]=4 23407 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 23408 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 23409 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 23410 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,1,0,1,0,0|1,0,1]=4 23411 B11R1.356 CCCCCNC(C)C1CC1 2230a_100000700016_100000210326 [0,1,0,1,0,0|2,0,0]=4 23412 B11R1.356 CCCCCNC(C)C1CC1 269862a_100000209983_100000210639 [0,1,0,1,0,0|2,0,0]=4 23413 B11R1.356 CCCCCNC(C)C1CC1 34a_100000700016_100000718602 [0,1,0,1,0,0|2,0,0]=4 23414 B11R1.356 CCCCCNC(C)C1CO1 270004a_100000209983_100000031964 [0,1,0,1,0,0|1,0,0]=3 23415 B11R1.356 CCCCCOC(C)C1CC1 34a_100000744524_100000718602 [0,1,0,1,0,0|2,0,0]=4 23416 B11R1.356 CCCCCOC(C)C1CC1 7a_100000744524_100000210326 [0,1,0,1,0,0|2,0,0]=4 23417 B11R1.356 CCCCNCC(O)C1CC1 2230a_100000751198_100000210211 [0,1,0,1,0,0|2,0,0]=4 23418 B11R1.356 CCCCNCC(O)C1CC1 34a_100000751198_100000210210 [0,1,0,1,0,0|2,0,0]=4 23419 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|1,0,1]=4 23420 B11R1.356 CCCCOC[C@H](N)C1CC1 34a_100020623730_100000210210 [0,1,0,1,0,0|2,0,0]=4 23421 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|1,0,1]=4 23422 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,1,0,1,0,0|1,0,1]=4 23423 B11R1.356 CCOCCNC(C)C1CO1 270004a_102516460346_100000031964 [0,1,0,1,0,0|2,0,0]=4 23424 B11R1.356 CCSCCNC(C)C1CO1 270004a_100000106463_100000031964 [0,1,0,1,0,0|2,0,0]=4 23425 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,1,0,1,0,0|1,0,1]=4 23426 B11R1.356 COCCCNC(C)C1CO1 270004a_100150723488_100000031964 [0,1,0,1,0,0|2,0,0]=4 23427 B11R1.356 CSCCCNC(C)C1CO1 270004a_100000749238_100000031964 [0,1,0,1,0,0|2,0,0]=4 23428 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,1,0,1,0,0|1,0,1]=4 23429 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|1,0,1]=4 23430 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,1,0,1,0,0|1,0,1]=4 23431 B11R1.497 CC(C)N1CCCCC(C1)O 2230a_100025706797_100000210206 [0,1,0,1,0,0|1,0,0]=3 23432 B11R1.497 CC(C)N1CCCCC(C1)O 269982a_100025706797_100000210206 [0,1,0,1,0,0|1,0,0]=3 23433 B11R1.497 CC(C)N1CCOC[C@@H](C1)O 2230a_100016073750_100000210206 [0,1,0,1,0,0|2,0,0]=4 23434 B11R1.497 CC(C)N1CCOC[C@@H](C1)O 269982a_100016073750_100000210206 [0,1,0,1,0,0|2,0,0]=4 23435 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [0,1,0,1,0,0|1,0,1]=4 23436 B11R1.103 CC(O)CCC(=O)C1CC1C 1458a_100000211227_100012276601 [0,1,0,1,0,0|0,0,1]=3 23437 B11R1.103 CC(O)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012276601 [0,1,0,1,0,0|1,0,1]=4 23438 B11R1.103 CC(O)CNC(=O)C1CC1C 11a_100000210904_100000211227 [0,1,0,1,0,0|1,0,1]=4 23439 B11R1.103 CC(O)CNC(=O)C1CC1C 527a_100000210904_100000211227 [0,1,0,1,0,0|1,0,1]=4 23440 B11R1.167 CC1CCC(C(C1)N(C)C)C 270004a_100102631434_100000034887 [0,1,0,1,0,0|2,0,0]=4 23441 B11R1.182 CCNC1CC(CCC1C)C 269862a_100015525214_100000034887 [0,1,0,1,0,0|2,0,0]=4 23442 B11R1.182 CCNC1CC(CCC1C)C 270004a_100015525214_100000034887 [0,1,0,1,0,0|2,0,0]=4 23443 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,1,0,1,0,0|2,0,0]=4 23444 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,1,0,1,0,0|2,0,0]=4 23445 B11R1.283 CCCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_200011215066 [0,1,0,1,0,0|2,0,0]=4 23446 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_200011215066 [0,1,0,1,0,0|2,0,0]=4 23447 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_200011215066 [0,1,0,1,0,0|2,0,0]=4 23448 B11R1.285 CC(CCCCl)OCC1CO1 34a_200000718107_102125554688 [0,1,0,1,0,0|2,0,0]=4 23449 B11R1.285 CC(CCCCl)OCC1CO1 7a_200000718107_102125554688 [0,1,0,1,0,0|2,0,0]=4 23450 B11R1.285 CC(CCCCl)OC[C@@H]1CO1 7a_200000718107_100000745022 [0,1,0,1,0,0|2,0,0]=4 23451 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,1,0,1,0,0|1,0,1]=4 23452 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,1,0,1,0,0|1,0,1]=4 23453 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [0,1,0,1,0,0|0,0,1]=3 23454 B11R1.285 CCCCC(C)COC1CC1 34a_100011995851_100000211595 [0,1,0,1,0,0|2,0,0]=4 23455 B11R1.285 CCCCC(C)NCC1CC1 2230a_100000126638_100000742324 [0,1,0,1,0,0|2,0,0]=4 23456 B11R1.285 CCCCC(C)NCC1CC1 2230a_100000735609_200011215066 [0,1,0,1,0,0|2,0,0]=4 23457 B11R1.285 CCCCC(C)NCC1CC1 269862a_100000126638_100000741477 [0,1,0,1,0,0|2,0,0]=4 23458 B11R1.285 CCCCC(C)NCC1CC1 270004a_100000735609_100000210087 [0,1,0,1,0,0|2,0,0]=4 23459 B11R1.285 CCCCC(C)NCC1CC1 34a_100000735609_200011215066 [0,1,0,1,0,0|2,0,0]=4 23460 B11R1.285 CCCCC(C)NCC1CO1 2230a_100000126638_100011216344 [0,1,0,1,0,0|1,0,0]=3 23461 B11R1.285 CCCCC(C)OCC1CC1 34a_100000211283_200011215066 [0,1,0,1,0,0|2,0,0]=4 23462 B11R1.285 CCCCC(C)OCC1CC1 34a_100000687866_100000742324 [0,1,0,1,0,0|2,0,0]=4 23463 B11R1.285 CCCCC(C)OCC1CC1 7a_100000687866_100000742324 [0,1,0,1,0,0|2,0,0]=4 23464 B11R1.285 CCCCC(C)OCC1CO1 34a_100000687866_102125554688 [0,1,0,1,0,0|1,0,0]=3 23465 B11R1.285 CCCCC(C)OCC1CO1 7a_100000687866_102125554688 [0,1,0,1,0,0|1,0,0]=3 23466 B11R1.285 CCCCC(C)OCC1CS1 7a_100000687866_100000031435 [0,1,0,1,0,0|1,1,0]=4 23467 B11R1.285 CCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011215066 [0,1,0,1,0,0|1,0,0]=3 23468 B11R1.285 CCCCC(C)OC[C@@H]1CO1 7a_100000687866_100000745022 [0,1,0,1,0,0|1,0,0]=3 23469 B11R1.285 CCCCC(C)SCC1CC1 62a_100000756562_200011215066 [0,1,0,1,0,0|2,0,0]=4 23470 B11R1.285 CCCCC(C)SCC1CC1 62a_200011215066_100000742324 [0,1,0,1,0,0|2,0,0]=4 23471 B11R1.285 CCCCC(C)SCC1CO1 62a_102125554688_200011215066 [0,1,0,1,0,0|1,0,0]=3 23472 B11R1.285 CCCCC(C)SCC1CO1 62a_200011215066_102125554688 [0,1,0,1,0,0|1,0,0]=3 23473 B11R1.285 CCCCC(C)SCC1CS1 62a_100000031435_200011215066 [0,1,0,1,0,0|1,1,0]=4 23474 B11R1.285 CCCCC(C)SCC1CS1 62a_200011215066_100000031435 [0,1,0,1,0,0|1,1,0]=4 23475 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_100000745022_200011215066 [0,1,0,1,0,0|1,0,0]=3 23476 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_200011215066_100000745022 [0,1,0,1,0,0|1,0,0]=3 23477 B11R1.285 CCCCN(C)CCC1CC1 2230a_100000207549_100000694398 [0,1,0,1,0,0|2,0,0]=4 23478 B11R1.285 CCCCN(C)CCC1CC1 269982a_100000207549_100000694398 [0,1,0,1,0,0|2,0,0]=4 23479 B11R1.285 CCCCN(C)CCC1CO1 2230a_100000207549_100000732470 [0,1,0,1,0,0|1,0,0]=3 23480 B11R1.285 CCCCN(C)CCC1CO1 269982a_100000207549_100000732470 [0,1,0,1,0,0|1,0,0]=3 23481 B11R1.285 CCCC[C@H](N)COC1CC1 34a_100011934283_100000211595 [0,1,0,1,0,0|2,0,0]=4 23482 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,1,0,1,0,0|1,0,1]=4 23483 B11R1.285 CCOCC(C)OCC1CO1 34a_100000718985_102125554688 [0,1,0,1,0,0|2,0,0]=4 23484 B11R1.285 CCOCC(C)OCC1CO1 7a_100000718985_102125554688 [0,1,0,1,0,0|2,0,0]=4 23485 B11R1.285 CCOCC(C)OC[C@@H]1CO1 7a_100000718985_100000745022 [0,1,0,1,0,0|2,0,0]=4 23486 B11R1.285 CCSCC(=O)CCC1CO1 1458a_100000230394_100000732470 [0,1,0,1,0,0|1,0,1]=4 23487 B11R1.285 CN(CCCO)CCC1CO1 2230a_100000213112_100000732470 [0,1,0,1,0,0|2,0,0]=4 23488 B11R1.285 CN(CCCO)CCC1CO1 269982a_100000213112_100000732470 [0,1,0,1,0,0|2,0,0]=4 23489 B11R1.285 COCCC(=O)CCC1CO1 1458a_100000749529_100000732470 [0,1,0,1,0,0|1,0,1]=4 23490 B11R1.285 COCCN(C)CCC1CO1 2230a_100000743101_100000732470 [0,1,0,1,0,0|2,0,0]=4 23491 B11R1.285 COCCN(C)CCC1CO1 269982a_100000743101_100000732470 [0,1,0,1,0,0|2,0,0]=4 23492 B11R1.285 CSCCC(=O)CCC1CO1 1458a_100000174002_100000732470 [0,1,0,1,0,0|1,0,1]=4 23493 B11R1.285 CSCCN(C)CCC1CO1 2230a_100000686725_100000732470 [0,1,0,1,0,0|2,0,0]=4 23494 B11R1.285 CSCCN(C)CCC1CO1 269982a_100000686725_100000732470 [0,1,0,1,0,0|2,0,0]=4 23495 B11R1.287 CCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210211 [0,1,0,1,0,0|1,0,1]=4 23496 B11R1.287 CCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210211 [0,1,0,1,0,0|1,0,1]=4 23497 B11R1.287 CCCCC(=O)N1CC(C1)O 11a_100000749847_100000210183 [0,1,0,1,0,0|1,0,1]=4 23498 B11R1.287 CCCCC(=O)N1CC(C1)O 240690a_100000749847_100000210183 [0,1,0,1,0,0|1,0,1]=4 23499 B11R1.287 CCCCC(=O)N1CC(C1)O 527a_100000749847_100000210183 [0,1,0,1,0,0|1,0,1]=4 23500 B11R1.287 CCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210211 [0,1,0,1,0,0|0,0,1]=3 23501 B11R1.287 CCCCC(C)N1CC(C1)C 2230a_100000702820_200011215066 [0,1,0,1,0,0|2,0,0]=4 23502 B11R1.287 CCCCC(C)N1CC(C1)C 269982a_100000702820_200011215066 [0,1,0,1,0,0|2,0,0]=4 23503 B11R1.287 CCCCC(C)N1CC(C1)C 270004a_100000702820_100000210087 [0,1,0,1,0,0|2,0,0]=4 23504 B11R1.287 CCCCC(C)N1CC(C1)C 34a_100000702820_200011215066 [0,1,0,1,0,0|2,0,0]=4 23505 B11R1.287 CCCCC(C)N1CC(C1)F 2230a_100000690557_200011215066 [0,1,0,1,0,0|2,0,0]=4 23506 B11R1.287 CCCCC(C)N1CC(C1)F 269982a_100000690557_200011215066 [0,1,0,1,0,0|2,0,0]=4 23507 B11R1.287 CCCCC(C)N1CC(C1)F 270004a_100000690557_100000210087 [0,1,0,1,0,0|2,0,0]=4 23508 B11R1.287 CCCCC(C)N1CC(C1)F 34a_100000690557_200011215066 [0,1,0,1,0,0|2,0,0]=4 23509 B11R1.287 CCCCC(C)N1CC(C1)O 269982a_100000749847_200011215066 [0,1,0,1,0,0|1,0,0]=3 23510 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100020643023_100015266633 [0,1,0,1,0,0|1,0,1]=4 23511 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O 527a_100020643023_100015266633 [0,1,0,1,0,0|1,0,1]=4 23512 B11R1.287 COCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000233755 [0,1,0,1,0,0|1,0,1]=4 23513 B11R1.287 CSCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000751147 [0,1,0,1,0,0|1,0,1]=4 23514 B11R1.287 O=C(CCCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011934791 [0,1,0,1,0,0|1,0,1]=4 23515 B11R1.287 O=C(CCCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215043 [0,1,0,1,0,0|1,0,1]=4 23516 B11R1.304 CCCN1C(CCC1(C)C)C 2230a_100015204717_100000210303 [0,1,0,1,0,0|2,0,0]=4 23517 B11R1.304 CCCN1C(CCC1(C)C)C 269982a_100015204717_100000210303 [0,1,0,1,0,0|2,0,0]=4 23518 B11R1.304 CCCN1C(CCC1(C)C)C 34a_100015204717_100000210303 [0,1,0,1,0,0|2,0,0]=4 23519 B11R1.346 CC(C)CCC(=O)C1CCC1 1458a_100000181311_100000749161 [0,1,0,1,0,0|1,0,1]=4 23520 B11R1.346 CC(C)CCC(=O)C1CCC1 1458a_100000209988_100000210312 [0,1,0,1,0,0|1,0,1]=4 23521 B11R1.346 CC(C)CCC(C)N1CCC1 269982a_100000754969_100011261404 [0,1,0,1,0,0|2,0,0]=4 23522 B11R1.346 CC(C)CCN(C)C1CCC1 2230a_100000758072_100000210312 [0,1,0,1,0,0|2,0,0]=4 23523 B11R1.346 CC(C)CCN(C)C1CCC1 269982a_100000742789_100000749161 [0,1,0,1,0,0|2,0,0]=4 23524 B11R1.346 CC(C)CCN(C)C1CCC1 269982a_100000758072_100000210312 [0,1,0,1,0,0|2,0,0]=4 23525 B11R1.346 CC(C)CCN(C)C1CCC1 270004a_100000742789_100000241760 [0,1,0,1,0,0|2,0,0]=4 23526 B11R1.346 CC(C)CCN(C)C1CCC1 34a_100000758072_100000210312 [0,1,0,1,0,0|2,0,0]=4 23527 B11R1.346 CC(C)CNC(C)C1CCC1 2230a_100016994624_100000210760 [0,1,0,1,0,0|2,0,0]=4 23528 B11R1.346 CC(C)CNC(C)C1CCC1 269862a_100000210953_100000760154 [0,1,0,1,0,0|2,0,0]=4 23529 B11R1.346 CC(C)CNC(C)C1CCC1 270004a_100016994624_100000210432 [0,1,0,1,0,0|2,0,0]=4 23530 B11R1.346 CC(C)CNC(C)C1CCC1 34a_100016994624_100000210624 [0,1,0,1,0,0|2,0,0]=4 23531 B11R1.346 CC(C)COC(C)C1CCC1 34a_100000766398_100000210624 [0,1,0,1,0,0|2,0,0]=4 23532 B11R1.346 CC(C)COC(C)C1CCC1 7a_100000766398_100000210760 [0,1,0,1,0,0|2,0,0]=4 23533 B11R1.346 CC(NC[C@@H](C)O)C1CCC1 2230a_100016994624_100009817552 [0,1,0,1,0,0|1,0,0]=3 23534 B11R1.346 CC(NC[C@@H](C)O)C1CCC1 34a_100016994624_100009817552 [0,1,0,1,0,0|1,0,0]=3 23535 B11R1.346 CC(O)CCC(=O)C1CCC1 1458a_100000209988_100012276601 [0,1,0,1,0,0|0,0,1]=3 23536 B11R1.346 CC(O)CCC(=O)C1CCO1 1458a_100000089072_100012276601 [0,1,0,1,0,0|1,0,1]=4 23537 B11R1.346 CC(O)CCC(=O)C1COC1 1458a_100000758290_100012276601 [0,1,0,1,0,0|1,0,1]=4 23538 B11R1.346 CC(O)CCN(C)C1CCC1 2230a_100000758072_100012276601 [0,1,0,1,0,0|1,0,0]=3 23539 B11R1.346 CC(O)CCN(C)C1CCC1 269982a_100000758072_100012276601 [0,1,0,1,0,0|1,0,0]=3 23540 B11R1.346 CC(O)CCN(C)C1CCC1 34a_100000758072_100012276601 [0,1,0,1,0,0|1,0,0]=3 23541 B11R1.346 CC(O)CCN(C)C1COC1 2230a_100102693430_100012276601 [0,1,0,1,0,0|2,0,0]=4 23542 B11R1.346 CC(O)CCN(C)C1COC1 269982a_100102693430_100012276601 [0,1,0,1,0,0|2,0,0]=4 23543 B11R1.346 CC(O)CNC(=O)C1CCC1 11a_100000210904_100000209988 [0,1,0,1,0,0|1,0,1]=4 23544 B11R1.346 CC(O)CNC(=O)C1CCC1 240690a_100000210904_100000209988 [0,1,0,1,0,0|1,0,1]=4 23545 B11R1.346 CC(O)CNC(=O)C1CCC1 527a_100000210904_100000209988 [0,1,0,1,0,0|1,0,1]=4 23546 B11R1.346 CC(O)CNC(C)C1CCC1 2230a_100016994624_100011218427 [0,1,0,1,0,0|1,0,0]=3 23547 B11R1.346 CC(O)CNC(C)C1CCC1 269862a_100000210904_100000760154 [0,1,0,1,0,0|1,0,0]=3 23548 B11R1.346 CC(O)CNC(C)C1CCC1 34a_100016994624_100011218427 [0,1,0,1,0,0|1,0,0]=3 23549 B11R1.346 CC(O)COC(C)C1CCC1 34a_100000766398_100011218427 [0,1,0,1,0,0|1,0,0]=3 23550 B11R1.346 CC(O)COC(C)C1CCC1 7a_100000766398_100011218427 [0,1,0,1,0,0|1,0,0]=3 23551 B11R1.346 CC(OC[C@@H](C)O)C1CCC1 34a_100000766398_100009817552 [0,1,0,1,0,0|1,0,0]=3 23552 B11R1.346 CC(OC[C@@H](C)O)C1CCC1 7a_100000766398_100009817552 [0,1,0,1,0,0|1,0,0]=3 23553 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [0,1,0,1,0,0|1,0,1]=4 23554 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [0,1,0,1,0,0|1,0,1]=4 23555 B11R1.348 CC(C)CCC(C)NC1CC1 34a_100000212008_100011261404 [0,1,0,1,0,0|2,0,0]=4 23556 B11R1.348 CC(C)CCC(C)OC1CC1 34a_100011215350_100000211595 [0,1,0,1,0,0|2,0,0]=4 23557 B11R1.348 CC(C)CCC(C)SC1CC1 62a_100011261404_100000211595 [0,1,0,1,0,0|2,0,0]=4 23558 B11R1.348 CC(C)CCN(C)CC1CC1 2230a_100000741881_100000210312 [0,1,0,1,0,0|2,0,0]=4 23559 B11R1.348 CC(C)CCN(C)CC1CC1 2230a_100000742789_100000742324 [0,1,0,1,0,0|2,0,0]=4 23560 B11R1.348 CC(C)CCN(C)CC1CC1 269982a_100000741881_100000210312 [0,1,0,1,0,0|2,0,0]=4 23561 B11R1.348 CC(C)CCN(C)CC1CC1 269982a_100000742789_100000756562 [0,1,0,1,0,0|2,0,0]=4 23562 B11R1.348 CC(C)CNC(C)CC1CC1 270004a_100000210953_200000686933 [0,1,0,1,0,0|2,0,0]=4 23563 B11R1.348 CC(O)CCC(=O)CC1CC1 1458a_100000738066_100012276601 [0,1,0,1,0,0|0,0,1]=3 23564 B11R1.348 CC(O)CCC(=O)NC1CC1 1626a_100000212008_100000718519 [0,1,0,1,0,0|1,0,1]=4 23565 B11R1.348 CC(O)CCN(C)CC1CC1 2230a_100000741881_100012276601 [0,1,0,1,0,0|1,0,0]=3 23566 B11R1.348 CC(O)CCN(C)CC1CC1 269982a_100000741881_100012276601 [0,1,0,1,0,0|1,0,0]=3 23567 B11R1.348 CC(O)CNC(=O)CC1CC1 11a_100000210904_100000738066 [0,1,0,1,0,0|1,0,1]=4 23568 B11R1.348 CC(O)CNC(=O)CC1CC1 240690a_100000210904_100000738066 [0,1,0,1,0,0|1,0,1]=4 23569 B11R1.348 CC(O)CNC(=O)CC1CC1 527a_100000210904_100000738066 [0,1,0,1,0,0|1,0,1]=4 23570 B11R1.348 CC(O)CNC(C)CC1CC1 270004a_100000210904_200000686933 [0,1,0,1,0,0|1,0,0]=3 23571 B11R1.495 CC(C)CN1C(CCC1C)C 2230a_100000687148_100000210760 [0,1,0,1,0,0|2,0,0]=4 23572 B11R1.495 CC(C)CN1C(CCC1C)C 269982a_100000687148_100000210624 [0,1,0,1,0,0|2,0,0]=4 23573 B11R1.495 CC(C)CN1C(CCC1C)C 34a_100000687148_100000210624 [0,1,0,1,0,0|2,0,0]=4 23574 B11R1.495 CC(O)CN1C(CCC1C)C 2230a_100000687148_100011218427 [0,1,0,1,0,0|1,0,0]=3 23575 B11R1.495 CC(O)CN1C(CCC1C)C 269982a_100000687148_100011218427 [0,1,0,1,0,0|1,0,0]=3 23576 B11R1.495 CC(O)CN1C(CCC1C)C 34a_100000687148_100011218427 [0,1,0,1,0,0|1,0,0]=3 23577 B11R1.495 CC1CCC(N1C[C@@H](C)O)C 2230a_100000687148_100009817552 [0,1,0,1,0,0|1,0,0]=3 23578 B11R1.495 CC1CCC(N1C[C@@H](C)O)C 269982a_100000687148_100009817552 [0,1,0,1,0,0|1,0,0]=3 23579 B11R1.495 CC1CCC(N1C[C@@H](C)O)C 34a_100000687148_100009817552 [0,1,0,1,0,0|1,0,0]=3 23580 B11R1.713 CC(C)COC1(CCCC1)C 34a_100000751722_100000210624 [0,1,0,1,0,0|2,0,0]=4 23581 B11R1.713 CC(C)COC1(CCCC1)C 7a_100000751722_100000210760 [0,1,0,1,0,0|2,0,0]=4 23582 B11R1.713 CC(C)NCC1(CCCC1)O 2230a_100000737848_100000210206 [0,1,0,1,0,0|2,0,0]=4 23583 B11R1.713 CC(C)OCC1(CCCC1)N 34a_100000749328_100000210206 [0,1,0,1,0,0|2,0,0]=4 23584 B11R1.713 CC(O)CNC1(CCOC1)C 2230a_100000693475_100011218427 [0,1,0,1,0,0|2,0,0]=4 23585 B11R1.713 CC(O)COC1(CCCC1)C 34a_100000751722_100011218427 [0,1,0,1,0,0|1,0,0]=3 23586 B11R1.713 CC(O)COC1(CCCC1)C 7a_100000751722_100011218427 [0,1,0,1,0,0|1,0,0]=3 23587 B11R1.713 C[C@@H](O)CNC1(CCOC1)C 2230a_100000693475_100009817552 [0,1,0,1,0,0|2,0,0]=4 23588 B11R1.713 C[C@@H](O)COC1(CCCC1)C 34a_100000751722_100009817552 [0,1,0,1,0,0|1,0,0]=3 23589 B11R1.713 C[C@@H](O)COC1(CCCC1)C 7a_100000751722_100009817552 [0,1,0,1,0,0|1,0,0]=3 23590 B11R1.995 CCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210211 [0,1,0,1,0,0|1,0,1]=4 23591 B11R1.178 CC(C)C1CCCN1C(C)C 2230a_100000762757_100000210206 [0,1,0,1,0,0|2,0,0]=4 23592 B11R1.178 CC(C)C1CCCN1C(C)C 269982a_100000762757_100000210206 [0,1,0,1,0,0|2,0,0]=4 23593 B11R1.178 CC(C)C1CCCN1C(C)C 34a_100000762757_100000210206 [0,1,0,1,0,0|2,0,0]=4 23594 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [0,1,0,1,0,0|1,0,1]=4 23595 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [0,1,0,1,0,0|1,0,1]=4 23596 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [0,1,0,1,0,0|1,0,1]=4 23597 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [0,1,0,1,0,0|1,0,1]=4 23598 B11R1.234 CC(C)CN1CCCC1(C)C 2230a_100000761399_100000210760 [0,1,0,1,0,0|2,0,0]=4 23599 B11R1.234 CC(C)CN1CCCC1(C)C 269982a_100000761399_100000210624 [0,1,0,1,0,0|2,0,0]=4 23600 B11R1.234 CC(C)CN1CCCC1(C)C 270004a_100000761399_100000210432 [0,1,0,1,0,0|2,0,0]=4 23601 B11R1.234 CC(C)CN1CCCC1(C)C 34a_100000761399_100000210624 [0,1,0,1,0,0|2,0,0]=4 23602 B11R1.234 CC(C)N[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210206 [0,1,0,1,0,0|1,0,0]=3 23603 B11R1.234 CC(C)N[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210206 [0,1,0,1,0,0|1,0,0]=3 23604 B11R1.234 CC(C)OC1CCCC1(C)C 34a_100000726220_100000210206 [0,1,0,1,0,0|2,0,0]=4 23605 B11R1.234 CC(C)OC1CCCC1(C)C 7a_100000726220_100000210206 [0,1,0,1,0,0|2,0,0]=4 23606 B11R1.234 CC(O)CN1CCCC1(C)C 2230a_100000761399_100011218427 [0,1,0,1,0,0|1,0,0]=3 23607 B11R1.234 CC(O)CN1CCCC1(C)C 269982a_100000761399_100011218427 [0,1,0,1,0,0|1,0,0]=3 23608 B11R1.234 CC(O)CN1CCCC1(C)C 34a_100000761399_100011218427 [0,1,0,1,0,0|1,0,0]=3 23609 B11R1.234 CC(O)CN1CCSC1(C)C 2230a_100011217261_100011218427 [0,1,0,1,0,0|2,0,0]=4 23610 B11R1.234 CC(O)CN1CCSC1(C)C 269982a_100011217261_100011218427 [0,1,0,1,0,0|2,0,0]=4 23611 B11R1.234 CC(O)CN1CCSC1(C)C 34a_100011217261_100011218427 [0,1,0,1,0,0|2,0,0]=4 23612 B11R1.234 CC(O)CN1COCC1(C)C 2230a_100000043020_100011218427 [0,1,0,1,0,0|2,0,0]=4 23613 B11R1.234 CC(O)CN1COCC1(C)C 269982a_100000043020_100011218427 [0,1,0,1,0,0|2,0,0]=4 23614 B11R1.234 C[C@@H](O)CN1CCCC1(C)C 2230a_100000761399_100009817552 [0,1,0,1,0,0|1,0,0]=3 23615 B11R1.234 C[C@@H](O)CN1CCCC1(C)C 269982a_100000761399_100009817552 [0,1,0,1,0,0|1,0,0]=3 23616 B11R1.234 C[C@@H](O)CN1CCCC1(C)C 34a_100000761399_100009817552 [0,1,0,1,0,0|1,0,0]=3 23617 B11R1.234 C[C@@H](O)CN1CCSC1(C)C 2230a_100011217261_100009817552 [0,1,0,1,0,0|2,0,0]=4 23618 B11R1.234 C[C@@H](O)CN1CCSC1(C)C 269982a_100011217261_100009817552 [0,1,0,1,0,0|2,0,0]=4 23619 B11R1.234 C[C@@H](O)CN1CCSC1(C)C 34a_100011217261_100009817552 [0,1,0,1,0,0|2,0,0]=4 23620 B11R1.234 C[C@@H](O)CN1COCC1(C)C 2230a_100000043020_100009817552 [0,1,0,1,0,0|2,0,0]=4 23621 B11R1.234 C[C@@H](O)CN1COCC1(C)C 269982a_100000043020_100009817552 [0,1,0,1,0,0|2,0,0]=4 23622 B11R1.923 CC(C)COCC1CC1(C)C 34a_100000728257_100000210624 [0,1,0,1,0,0|2,0,0]=4 23623 B11R1.923 CC(C)COCC1CC1(C)C 7a_100000728257_100000210760 [0,1,0,1,0,0|2,0,0]=4 23624 B11R1.923 CC(O)CCNC1CC1(F)F 2230a_100020610826_100012276601 [0,1,0,1,0,0|2,0,0]=4 23625 B11R1.923 CC(O)CCNC1CC1(F)F 34a_100020610826_100012276601 [0,1,0,1,0,0|2,0,0]=4 23626 B11R1.923 CC(O)CNCC1CC1(F)F 2230a_100000210904_100009817841 [0,1,0,1,0,0|2,0,0]=4 23627 B11R1.923 CC(O)CNCC1CC1(F)F 34a_100000210904_100009817841 [0,1,0,1,0,0|2,0,0]=4 23628 B11R1.923 CC(O)COCC1CC1(C)C 34a_100000728257_100011218427 [0,1,0,1,0,0|1,0,0]=3 23629 B11R1.923 CC(O)COCC1CC1(C)C 7a_100000728257_100011218427 [0,1,0,1,0,0|1,0,0]=3 23630 B11R1.923 CC(O)COCC1CC1(F)F 34a_100000056500_100011218427 [0,1,0,1,0,0|2,0,0]=4 23631 B11R1.923 CC(O)COCC1CC1(F)F 7a_100000056500_100011218427 [0,1,0,1,0,0|2,0,0]=4 23632 B11R1.923 CC(O)COCC1OC1(C)C 34a_200010283642_100011218427 [0,1,0,1,0,0|2,0,0]=4 23633 B11R1.923 CC(O)COCC1OC1(C)C 7a_200010283642_100011218427 [0,1,0,1,0,0|2,0,0]=4 23634 B11R1.923 CC(O)CSCC1CC1(F)F 62a_100009817841_100011218427 [0,1,0,1,0,0|2,0,0]=4 23635 B11R1.923 CC(O)CSCC1CC1(F)F 62a_100011218427_100009817841 [0,1,0,1,0,0|2,0,0]=4 23636 B11R1.923 C[C@@H](O)COCC1CC1(C)C 34a_100000728257_100009817552 [0,1,0,1,0,0|1,0,0]=3 23637 B11R1.923 C[C@@H](O)COCC1CC1(C)C 7a_100000728257_100009817552 [0,1,0,1,0,0|1,0,0]=3 23638 B11R1.923 C[C@@H](O)COCC1CC1(F)F 34a_100000056500_100009817552 [0,1,0,1,0,0|2,0,0]=4 23639 B11R1.923 C[C@@H](O)COCC1CC1(F)F 7a_100000056500_100009817552 [0,1,0,1,0,0|2,0,0]=4 23640 B11R1.923 C[C@@H](O)COCC1OC1(C)C 34a_200010283642_100009817552 [0,1,0,1,0,0|2,0,0]=4 23641 B11R1.923 C[C@@H](O)COCC1OC1(C)C 7a_200010283642_100009817552 [0,1,0,1,0,0|2,0,0]=4 23642 B11R1.923 C[C@@H](O)CSCC1CC1(F)F 62a_100009817552_100009817841 [0,1,0,1,0,0|2,0,0]=4 23643 B11R1.923 C[C@@H](O)CSCC1CC1(F)F 62a_100009817841_100009817552 [0,1,0,1,0,0|2,0,0]=4 23644 B11R2.35 C[C@H]1CCCN(C1)C2CC2 269982a_100000717927_100000211595 [0,0,0,2,0,0|2,0,0]=4 23645 B11R2.35 C[C@H]1CCCN(C1)C2CC2 34a_100000717927_100000211595 [0,0,0,2,0,0|2,0,0]=4 23646 B11R2.35 FC1CCCN(C1)C2CC2 269982a_100000697950_100000211595 [0,0,0,2,0,0|2,0,0]=4 23647 B11R2.35 FC1CCCN(C1)C2CC2 34a_100000697950_100000211595 [0,0,0,2,0,0|2,0,0]=4 23648 B11R2.35 OC1CCCN(C1)C2CC2 269982a_100000211013_100000211595 [0,0,0,2,0,0|1,0,0]=3 23649 B11R2.35 OC1CN(CCO1)C2CC2 269982a_100000688207_100000211595 [0,0,0,2,0,0|2,0,0]=4 23650 B11R2.248 CCCN1CC2CCC1C2 2230a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 23651 B11R2.248 CCCN1CC2CCC1C2 269982a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 23652 B11R2.248 CCCN1CC2CCC1C2 34a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 23653 B11R2.248 CCNC1CC2CCC1C2 2230a_100000758229_100000210202 [0,0,0,2,0,0|2,0,0]=4 23654 B11R2.248 CCNC1CC2CCC1C2 269862a_100015525214_100000223372 [0,0,0,2,0,0|2,0,0]=4 23655 B11R2.248 CCNC1CC2CCC1C2 270004a_100015525214_100000223372 [0,0,0,2,0,0|2,0,0]=4 23656 B11R2.248 CCNC1CC2CCC1C2 34a_100000758229_100000210202 [0,0,0,2,0,0|2,0,0]=4 23657 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,0,0,2,0,0|2,0,0]=4 23658 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,0,0,2,0,0|2,0,0]=4 23659 B11R2.248 CCSC1CC2CCC1C2 62a_100000210202_100000727232 [0,0,0,2,0,0|2,0,0]=4 23660 B11R2.248 CCSC1CC2CCC1C2 62a_100000727232_100000210202 [0,0,0,2,0,0|2,0,0]=4 23661 B11R2.248 CNCC1CC2CCC1C2 269862a_106832991636_100000697602 [0,0,0,2,0,0|2,0,0]=4 23662 B11R2.248 CNCC1CC2CCC1C2 270004a_106832991635_100000697602 [0,0,0,2,0,0|2,0,0]=4 23663 B11R2.248 COCC1CC2CCC1C2 34a_100000229996_200000210301 [0,0,0,2,0,0|2,0,0]=4 23664 B11R2.248 [13CH3]OCC1CC2CCC1C2 34a_100000229996_200025704644 [0,0,0,2,0,0|2,0,0]=4 23665 B11R2.641 CCNC1CCCC2C1C2 269862a_100015525214_100000697651 [0,0,0,2,0,0|2,0,0]=4 23666 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 23667 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 23668 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 23669 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 23670 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 23671 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 23672 B11R2.16 CCN1CC2CCC(C1)O2 2230a_100015188616_100000210202 [0,0,0,2,0,0|1,0,0]=3 23673 B11R2.16 CCN1CC2CCC(C1)O2 269982a_100015188616_100000204670 [0,0,0,2,0,0|1,0,0]=3 23674 B11R2.16 CCN1CC2CCC(C1)O2 34a_100015188616_100000210202 [0,0,0,2,0,0|1,0,0]=3 23675 B11R2.16 CNC1CC2CCC(C1)N2 270004a_106832991635_100000708817 [0,0,0,2,0,0|2,0,0]=4 23676 B11R2.16 CNC1CC2CCC(C1)O2 270004a_106832991635_100010474450 [0,0,0,2,0,0|1,0,0]=3 23677 B11R2.16 FCN1CC2CCC(C1)O2 269982a_100015188616_100015361967 [0,0,0,2,0,0|2,0,0]=4 23678 B11R2.16 FCN1CC2CCC(C1)O2 34a_100015188616_100015361967 [0,0,0,2,0,0|2,0,0]=4 23679 B11R2.157 CCCCN1CC2CC2C1 2230a_100000741873_100000210211 [0,0,0,2,0,0|2,0,0]=4 23680 B11R2.157 CCCCN1CC2CC2C1 269982a_100000741873_100000210211 [0,0,0,2,0,0|2,0,0]=4 23681 B11R2.157 CCCCN1CC2CC2C1 34a_100000741873_100000210210 [0,0,0,2,0,0|2,0,0]=4 23682 B11R2.157 CCCNC1CC2CC2C1 270004a_100020643023_100010340937 [0,0,0,2,0,0|2,0,0]=4 23683 B11R2.351 CC1CCC(C1)OC2CC2 34a_100000698185_100000211595 [0,0,0,2,0,0|2,0,0]=4 23684 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 2230a_100016987628_100000742324 [0,0,0,2,0,0|2,0,0]=4 23685 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 269982a_100016987628_100000756562 [0,0,0,2,0,0|2,0,0]=4 23686 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 34a_100016987628_100000742324 [0,0,0,2,0,0|2,0,0]=4 23687 B11R2.351 F[C@H]1CCN(C1)CC2CC2 2230a_100015203821_100000742324 [0,0,0,2,0,0|2,0,0]=4 23688 B11R2.351 F[C@H]1CCN(C1)CC2CC2 269982a_100015203821_100000756562 [0,0,0,2,0,0|2,0,0]=4 23689 B11R2.351 F[C@H]1CCN(C1)CC2CC2 34a_100015203821_100000742324 [0,0,0,2,0,0|2,0,0]=4 23690 B11R2.351 OC1CCN(C1)CC2CC2 2230a_100011215560_100000742324 [0,0,0,2,0,0|1,0,0]=3 23691 B11R2.351 OC1CCN(C1)CC2CC2 269982a_100011215560_100000756562 [0,0,0,2,0,0|1,0,0]=3 23692 B11R2.351 OC1CCN(C1)CC2CO2 2230a_100011215560_100011216344 [0,0,0,2,0,0|2,0,0]=4 23693 B11R2.351 OC1CCN(C1)CC2CO2 269982a_100011215560_102125554688 [0,0,0,2,0,0|2,0,0]=4 23694 B11R2.351 OC1CCN(C1)CC2CS2 269982a_100011215560_100000031435 [0,0,0,2,0,0|2,0,0]=4 23695 B11R2.351 OC1CCN(C1)C[C@@H]2CO2 269982a_100011215560_100000745022 [0,0,0,2,0,0|2,0,0]=4 23696 B11R2.352 C[C@@H]1CCN(C1)C2CCC2 269982a_100016987628_100000749161 [0,0,0,2,0,0|2,0,0]=4 23697 B11R2.352 C[C@@H]1CCN(C1)C2CCC2 270004a_100016987628_100000241760 [0,0,0,2,0,0|2,0,0]=4 23698 B11R2.352 C[C@@H]1CCN(C1)C2CCC2 34a_100016987628_100000749161 [0,0,0,2,0,0|2,0,0]=4 23699 B11R2.352 F[C@H]1CCN(C1)C2CCC2 269982a_100015203821_100000749161 [0,0,0,2,0,0|2,0,0]=4 23700 B11R2.352 F[C@H]1CCN(C1)C2CCC2 270004a_100015203821_100000241760 [0,0,0,2,0,0|2,0,0]=4 23701 B11R2.352 F[C@H]1CCN(C1)C2CCC2 34a_100015203821_100000749161 [0,0,0,2,0,0|2,0,0]=4 23702 B11R2.352 OC1CCN(C1)C2CCC2 269982a_100011215560_100000749161 [0,0,0,2,0,0|1,0,0]=3 23703 B11R2.352 OC1CCN(C1)C2CCC2 270004a_100011215560_100000241760 [0,0,0,2,0,0|1,0,0]=3 23704 B11R2.352 OC1CCN(C1)C2COC2 269982a_100011215560_100000687716 [0,0,0,2,0,0|2,0,0]=4 23705 B11R2.748 CN1CCC2(C1)CCCC2 2230a_100000764703_200000210301 [0,0,0,2,0,0|2,0,0]=4 23706 B11R2.748 CN1CCC2(C1)CCCC2 269982a_100000764703_200000210301 [0,0,0,2,0,0|2,0,0]=4 23707 B11R2.748 CN1CCC2(C1)CCCC2 34a_100000764703_200000210301 [0,0,0,2,0,0|2,0,0]=4 23708 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 2230a_100000764703_200025704644 [0,0,0,2,0,0|2,0,0]=4 23709 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 269982a_100000764703_200025704644 [0,0,0,2,0,0|2,0,0]=4 23710 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 34a_100000764703_200025704644 [0,0,0,2,0,0|2,0,0]=4 23711 B11R2.927 CCCNC1CCC2C1C2 269862a_100020643023_100000692480 [0,0,0,2,0,0|2,0,0]=4 23712 B11R2.927 CCCNC1CCC2C1C2 270004a_100020643023_100000692480 [0,0,0,2,0,0|2,0,0]=4 23713 B11R2.927 CCCOC1CCC2C1C2 34a_200012295571_100000210303 [0,0,0,2,0,0|2,0,0]=4 23714 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000182618_100000211595 [0,0,0,2,0,0|2,0,0]=4 23715 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000212008_100000210327 [0,0,0,2,0,0|2,0,0]=4 23716 B11R2.238 C1CCC(CC1)OC2CC2 34a_100000210231_100000211595 [0,0,0,2,0,0|2,0,0]=4 23717 B11R2.238 C1CCC(CC1)SC2CC2 62a_100000210327_100000211595 [0,0,0,2,0,0|2,0,0]=4 23718 B11R2.238 C1CN(CCO1)CC2CO2 2230a_100015191051_100011216344 [0,0,0,2,0,0|2,0,0]=4 23719 B11R2.238 C1CN(CCO1)CC2CO2 269982a_100015191051_102125554688 [0,0,0,2,0,0|2,0,0]=4 23720 B11R2.238 C1CN(CCO1)CC2CO2 34a_100015191051_102125554688 [0,0,0,2,0,0|2,0,0]=4 23721 B11R2.238 C1CN(CCO1)C[C@@H]2CO2 269982a_100015191051_100000745022 [0,0,0,2,0,0|2,0,0]=4 23722 B11R2.238 C1CN(CCS1)CC2CO2 2230a_100000737611_100011216344 [0,0,0,2,0,0|2,0,0]=4 23723 B11R2.238 C1CN(CCS1)CC2CO2 269982a_100000737611_102125554688 [0,0,0,2,0,0|2,0,0]=4 23724 B11R2.238 C1CN(CCS1)C[C@@H]2CO2 269982a_100000737611_100000745022 [0,0,0,2,0,0|2,0,0]=4 23725 B11R2.238 C1COCN(C1)CC2CO2 2230a_100000131196_100011216344 [0,0,0,2,0,0|2,0,0]=4 23726 B11R2.238 C1COCN(C1)CC2CO2 269982a_100000131196_102125554688 [0,0,0,2,0,0|2,0,0]=4 23727 B11R2.238 C1COCN(C1)CC2CO2 34a_100000131196_102125554688 [0,0,0,2,0,0|2,0,0]=4 23728 B11R2.238 C1COCN(C1)C[C@@H]2CO2 269982a_100000131196_100000745022 [0,0,0,2,0,0|2,0,0]=4 23729 B11R2.824 CC(C)N1C2CCC1CC2 2230a_100000735658_100000210206 [0,0,0,2,0,0|2,0,0]=4 23730 B11R2.824 CC(C)N1C2CCC1CC2 269982a_100000735658_100000210206 [0,0,0,2,0,0|2,0,0]=4 23731 B11R2.824 CC(C)N1C2CCC1CC2 34a_100000735658_100000210206 [0,0,0,2,0,0|2,0,0]=4 23732 B11R2.824 CN(C)C1C2CCC1CC2 269982a_100102631434_100009813300 [0,0,0,2,0,0|2,0,0]=4 23733 B11R2.932 CC(C)OC1CCC2C1C2 34a_200012295571_100000210206 [0,0,0,2,0,0|2,0,0]=4 23734 B11R2.934 CC(C)CN1CC2CC2C1 2230a_100000741873_100000210760 [0,0,0,2,0,0|2,0,0]=4 23735 B11R2.934 CC(C)CN1CC2CC2C1 269982a_100000741873_100000210624 [0,0,0,2,0,0|2,0,0]=4 23736 B11R2.934 CC(C)CN1CC2CC2C1 270004a_100000741873_100000210432 [0,0,0,2,0,0|2,0,0]=4 23737 B11R2.934 CC(C)CN1CC2CC2C1 34a_100000741873_100000210624 [0,0,0,2,0,0|2,0,0]=4 23738 B11R2.934 CC(O)CN1CC2CC2C1 2230a_100000741873_100011218427 [0,0,0,2,0,0|1,0,0]=3 23739 B11R2.934 CC(O)CN1CC2CC2C1 269982a_100000741873_100011218427 [0,0,0,2,0,0|1,0,0]=3 23740 B11R2.934 CC(O)CN1CC2CC2C1 34a_100000741873_100011218427 [0,0,0,2,0,0|1,0,0]=3 23741 B11R2.934 C[C@@H](O)CN1CC2CC2C1 2230a_100000741873_100009817552 [0,0,0,2,0,0|1,0,0]=3 23742 B11R2.934 C[C@@H](O)CN1CC2CC2C1 269982a_100000741873_100009817552 [0,0,0,2,0,0|1,0,0]=3 23743 B11R2.934 C[C@@H](O)CN1CC2CC2C1 34a_100000741873_100009817552 [0,0,0,2,0,0|1,0,0]=3 23744 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,2,0,0|0,0,2]=4 23745 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,2,0,0|0,0,2]=4 23746 B11R2.11 CC1CN(C1)C2CCCC2 2230a_100000702820_100000179811 [0,0,0,2,0,0|2,0,0]=4 23747 B11R2.11 CC1CN(C1)C2CCCC2 269982a_100000702820_100000179811 [0,0,0,2,0,0|2,0,0]=4 23748 B11R2.11 CC1CN(C1)C2CCCC2 270004a_100000702820_100000210133 [0,0,0,2,0,0|2,0,0]=4 23749 B11R2.11 CC1CN(C1)C2CCCC2 34a_100000702820_100000179811 [0,0,0,2,0,0|2,0,0]=4 23750 B11R2.11 FC1CN(C1)C2CCCC2 2230a_100000690557_100000179811 [0,0,0,2,0,0|2,0,0]=4 23751 B11R2.11 FC1CN(C1)C2CCCC2 269982a_100000690557_100000179811 [0,0,0,2,0,0|2,0,0]=4 23752 B11R2.11 FC1CN(C1)C2CCCC2 270004a_100000690557_100000210133 [0,0,0,2,0,0|2,0,0]=4 23753 B11R2.11 FC1CN(C1)C2CCCC2 34a_100000690557_100000179811 [0,0,0,2,0,0|2,0,0]=4 23754 B11R2.11 OC1CN(C1)C2CCCC2 269982a_100000749847_100000179811 [0,0,0,2,0,0|1,0,0]=3 23755 B11R2.11 OC1CN(C1)C2CCOC2 269982a_100000749847_100000731011 [0,0,0,2,0,0|2,0,0]=4 23756 B11R2.555 CC1CN(C1)CCC2CC2 2230a_100000702820_100000694398 [0,0,0,2,0,0|2,0,0]=4 23757 B11R2.555 CC1CN(C1)CCC2CC2 269982a_100000702820_100000694398 [0,0,0,2,0,0|2,0,0]=4 23758 B11R2.555 CC1CN(C1)CCC2CC2 34a_100000702820_100000694398 [0,0,0,2,0,0|2,0,0]=4 23759 B11R2.555 ClC1CC(C1)COC2CC2 34a_100009874164_100000211595 [0,0,0,2,0,0|2,0,0]=4 23760 B11R2.555 FC1CC(C1)NCC2CC2 2230a_100016993743_100000742324 [0,0,0,2,0,0|2,0,0]=4 23761 B11R2.555 FC1CN(C1)CCC2CC2 2230a_100000690557_100000694398 [0,0,0,2,0,0|2,0,0]=4 23762 B11R2.555 FC1CN(C1)CCC2CC2 269982a_100000690557_100000694398 [0,0,0,2,0,0|2,0,0]=4 23763 B11R2.555 FC1CN(C1)CCC2CC2 34a_100000690557_100000694398 [0,0,0,2,0,0|2,0,0]=4 23764 B11R2.555 OC1CN(C1)CCC2CC2 269982a_100000749847_100000694398 [0,0,0,2,0,0|1,0,0]=3 23765 B11R2.555 OC1CN(C1)CCC2CO2 269982a_100000749847_100000732470 [0,0,0,2,0,0|2,0,0]=4 23766 B11R2.555 O[C@H]1C[C@@H](C1)NCC2CC2 2230a_100020629032_100000742324 [0,0,0,2,0,0|1,0,0]=3 23767 B11R2.555 O[C@H]1C[C@@H](C1)NCC2CC2 269862a_100020629032_100000741477 [0,0,0,2,0,0|1,0,0]=3 23768 B11R2.555 O[C@H]1C[C@@H](C1)NCC2CO2 2230a_100020629032_100011216344 [0,0,0,2,0,0|2,0,0]=4 23769 B11R2.782 CC1CN(C1)CC2CCC2 2230a_100000702820_100000763275 [0,0,0,2,0,0|2,0,0]=4 23770 B11R2.782 CC1CN(C1)CC2CCC2 269982a_100000702820_100000763275 [0,0,0,2,0,0|2,0,0]=4 23771 B11R2.782 CC1CN(C1)CC2CCC2 34a_100000702820_100000763275 [0,0,0,2,0,0|2,0,0]=4 23772 B11R2.782 FC1CC(C1)NC2CCC2 270004a_100016993743_100000241760 [0,0,0,2,0,0|2,0,0]=4 23773 B11R2.782 FC1CN(C1)CC2CCC2 2230a_100000690557_100000763275 [0,0,0,2,0,0|2,0,0]=4 23774 B11R2.782 FC1CN(C1)CC2CCC2 269982a_100000690557_100000763275 [0,0,0,2,0,0|2,0,0]=4 23775 B11R2.782 FC1CN(C1)CC2CCC2 34a_100000690557_100000763275 [0,0,0,2,0,0|2,0,0]=4 23776 B11R2.782 OC1CN(C1)CC2CCC2 269982a_100000749847_100000763275 [0,0,0,2,0,0|1,0,0]=3 23777 B11R2.782 OC1CN(C1)CC2CCO2 269982a_100000749847_100000103362 [0,0,0,2,0,0|2,0,0]=4 23778 B11R2.782 OC1CN(C1)CC2COC2 269982a_100000749847_100010264016 [0,0,0,2,0,0|2,0,0]=4 23779 B11R2.782 O[C@H]1C[C@@H](C1)NC2CCC2 270004a_100020629032_100000241760 [0,0,0,2,0,0|1,0,0]=3 23780 B11R2.142 CC(C)N1CCCC12CC2 2230a_100020620911_100000210206 [0,0,0,2,0,0|2,0,0]=4 23781 B11R2.142 CC(C)N1CCCC12CC2 269982a_100020620911_100000210206 [0,0,0,2,0,0|2,0,0]=4 23782 B11R2.142 CC(C)N1CCCC12CC2 34a_100020620911_100000210206 [0,0,0,2,0,0|2,0,0]=4 23783 B11R2.216 CCC1CCCN1C2CC2 269982a_100000754278_100000211595 [0,0,0,2,0,0|2,0,0]=4 23784 B11R2.216 CCC1CCCN1C2CC2 34a_100000754278_100000211595 [0,0,0,2,0,0|2,0,0]=4 23785 B11R2.216 CCN1CCCC1C2CC2 2230a_200000757794_100000210202 [0,0,0,2,0,0|2,0,0]=4 23786 B11R2.216 CCN1CCCC1C2CC2 269982a_200000757794_100000204670 [0,0,0,2,0,0|2,0,0]=4 23787 B11R2.216 CCN1CCCC1C2CC2 34a_200000757794_100000210202 [0,0,0,2,0,0|2,0,0]=4 23788 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|0,0,2]=4 23789 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|0,0,2]=4 23790 B11R2.845 CC(C)N1CC2CCC1C2 2230a_100000743476_100000210206 [0,0,0,2,0,0|2,0,0]=4 23791 B11R2.845 CC(C)N1CC2CCC1C2 269982a_100000743476_100000210206 [0,0,0,2,0,0|2,0,0]=4 23792 B11R2.845 CC(C)N1CC2CCC1C2 34a_100000743476_100000210206 [0,0,0,2,0,0|2,0,0]=4 23793 B11R2.845 CN(C)C1CC2CCC1C2 2230a_200000720876_200000210301 [0,0,0,2,0,0|2,0,0]=4 23794 B11R2.845 CN(C)C1CC2CCC1C2 269982a_100102631434_100000727232 [0,0,0,2,0,0|2,0,0]=4 23795 B11R2.845 CN(C)C1CC2CCC1C2 269982a_200000720876_200000210301 [0,0,0,2,0,0|2,0,0]=4 23796 B11R2.845 CN(C)C1CC2CCC1C2 270004a_100102631434_100000223372 [0,0,0,2,0,0|2,0,0]=4 23797 B11R2.845 CN(C)C1CC2CCC1C2 34a_200000720876_200000210301 [0,0,0,2,0,0|2,0,0]=4 23798 B11R2.845 CN([13CH3])C1CC2CCC1C2 2230a_200000720876_200025704644 [0,0,0,2,0,0|2,0,0]=4 23799 B11R2.845 CN([13CH3])C1CC2CCC1C2 269982a_200000720876_200025704644 [0,0,0,2,0,0|2,0,0]=4 23800 B11R2.845 CN([13CH3])C1CC2CCC1C2 34a_200000720876_200025704644 [0,0,0,2,0,0|2,0,0]=4 23801 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|0,0,2]=4 23802 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 2230a_100025746932_100000179811 [0,0,0,2,0,0|2,0,0]=4 23803 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 34a_100025746932_100000179811 [0,0,0,2,0,0|2,0,0]=4 23804 B11R2.5 F[C@H]1C[C@H]1NC2CCCC2 2230a_100015190264_100000179811 [0,0,0,2,0,0|2,0,0]=4 23805 B11R2.444 CC1CC1COCC2CC2 34a_100000744939_100000742324 [0,0,0,2,0,0|2,0,0]=4 23806 B11R2.444 CC1CC1COCC2CC2 7a_100000744939_100000742324 [0,0,0,2,0,0|2,0,0]=4 23807 B11R2.444 CC1CC1COCC2CO2 34a_100000744939_102125554688 [0,0,0,2,0,0|1,0,0]=3 23808 B11R2.444 CC1CC1COCC2CO2 7a_100000744939_102125554688 [0,0,0,2,0,0|1,0,0]=3 23809 B11R2.444 CC1CC1COCC2CS2 7a_100000744939_100000031435 [0,0,0,2,0,0|1,1,0]=4 23810 B11R2.444 CC1CC1COC[C@@H]2CO2 7a_100000744939_100000745022 [0,0,0,2,0,0|1,0,0]=3 23811 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 2230a_100025746932_100000694398 [0,0,0,2,0,0|2,0,0]=4 23812 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 34a_100025746932_100000694398 [0,0,0,2,0,0|2,0,0]=4 23813 B11R2.444 F[C@@H]1C[C@H]1NCCC2CO2 2230a_100025746932_100000732470 [0,0,0,2,0,0|2,0,0]=4 23814 B11R2.444 F[C@@H]1C[C@H]1NCCC2CO2 34a_100025746932_100000732470 [0,0,0,2,0,0|2,0,0]=4 23815 B11R2.444 F[C@H]1C[C@H]1NCCC2CC2 2230a_100015190264_100000694398 [0,0,0,2,0,0|2,0,0]=4 23816 B11R2.444 F[C@H]1C[C@H]1NCCC2CO2 2230a_100015190264_100000732470 [0,0,0,2,0,0|2,0,0]=4 23817 B11R2.774 CC1CC1COC2CCC2 34a_100000744939_100000749161 [0,0,0,2,0,0|2,0,0]=4 23818 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 2230a_100025746932_100000763275 [0,0,0,2,0,0|2,0,0]=4 23819 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 34a_100025746932_100000763275 [0,0,0,2,0,0|2,0,0]=4 23820 B11R2.774 F[C@H]1C[C@H]1NCC2CCC2 2230a_100015190264_100000763275 [0,0,0,2,0,0|2,0,0]=4 23821 B11R2.55 CC1CCCCN1C2CC2 269982a_100000211376_100000211595 [0,0,0,2,0,0|2,0,0]=4 23822 B11R2.55 CC1CCCCN1C2CC2 34a_100000211376_100000211595 [0,0,0,2,0,0|2,0,0]=4 23823 B11R2.115 CC1CCCC1OC2CC2 34a_100011216460_100000211595 [0,0,0,2,0,0|2,0,0]=4 23824 B11R2.115 CC1SCCN1CC2CO2 2230a_200011216479_100011216344 [0,0,0,2,0,0|2,0,0]=4 23825 B11R2.115 CC1SCCN1CC2CO2 269982a_200011216479_102125554688 [0,0,0,2,0,0|2,0,0]=4 23826 B11R2.115 CC1SCCN1CC2CO2 34a_200011216479_102125554688 [0,0,0,2,0,0|2,0,0]=4 23827 B11R2.115 CC1SCCN1C[C@@H]2CO2 269982a_200011216479_100000745022 [0,0,0,2,0,0|2,0,0]=4 23828 B11R2.115 C[C@@H]1CCCN1CC2CC2 2230a_100015189458_100000742324 [0,0,0,2,0,0|2,0,0]=4 23829 B11R2.115 C[C@@H]1CCCN1CC2CC2 269982a_100015189458_100000756562 [0,0,0,2,0,0|2,0,0]=4 23830 B11R2.115 C[C@@H]1CCCN1CC2CC2 34a_100015189458_100000742324 [0,0,0,2,0,0|2,0,0]=4 23831 B11R2.115 C[C@@H]1CCCN1CC2CO2 2230a_100015189458_100011216344 [0,0,0,2,0,0|1,0,0]=3 23832 B11R2.115 C[C@@H]1CCCN1CC2CO2 269982a_100015189458_102125554688 [0,0,0,2,0,0|1,0,0]=3 23833 B11R2.115 C[C@@H]1CCCN1CC2CO2 34a_100015189458_102125554688 [0,0,0,2,0,0|1,0,0]=3 23834 B11R2.115 C[C@@H]1CCCN1CC2CS2 269982a_100015189458_100000031435 [0,0,0,2,0,0|1,1,0]=4 23835 B11R2.115 C[C@@H]1CCCN1C[C@@H]2CO2 269982a_100015189458_100000745022 [0,0,0,2,0,0|1,0,0]=3 23836 B11R2.115 C[C@H]1CCCN1CC2CC2 2230a_100020605311_100000742324 [0,0,0,2,0,0|2,0,0]=4 23837 B11R2.115 C[C@H]1CCCN1CC2CC2 269982a_100020605311_100000756562 [0,0,0,2,0,0|2,0,0]=4 23838 B11R2.115 C[C@H]1CCCN1CC2CO2 2230a_100020605311_100011216344 [0,0,0,2,0,0|1,0,0]=3 23839 B11R2.115 C[C@H]1CCCN1CC2CO2 269982a_100020605311_102125554688 [0,0,0,2,0,0|1,0,0]=3 23840 B11R2.115 C[C@H]1CCCN1CC2CS2 269982a_100020605311_100000031435 [0,0,0,2,0,0|1,1,0]=4 23841 B11R2.115 C[C@H]1CCCN1C[C@@H]2CO2 269982a_100020605311_100000745022 [0,0,0,2,0,0|1,0,0]=3 23842 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@H](C2)O 2230a_100103153168_200000210301 [0,0,0,2,0,0|1,0,0]=3 23843 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@H](C2)O 269982a_100103153168_200000210301 [0,0,0,2,0,0|1,0,0]=3 23844 B11R2.432 [13CH3]N1[C@@H]2CC[C@H]1C[C@H](C2)O 2230a_100103153168_200025704644 [0,0,0,2,0,0|1,0,0]=3 23845 B11R2.432 [13CH3]N1[C@@H]2CC[C@H]1C[C@H](C2)O 269982a_100103153168_200025704644 [0,0,0,2,0,0|1,0,0]=3 23846 B11R2.385 C1CC(CO1)OC[C@@H]2CO2 34a_100000757423_100000690089 [0,0,0,2,0,0|2,0,0]=4 23847 B11R2.385 C1CC(CO1)SCC2CO2 62a_102125554688_100000690089 [0,0,0,2,0,0|2,0,0]=4 23848 B11R2.385 C1CC(CO1)SC[C@@H]2CO2 62a_100000745022_100000690089 [0,0,0,2,0,0|2,0,0]=4 23849 B11R2.385 C1CC(CS1)OCC2CO2 7a_100011232664_102125554688 [0,0,0,2,0,0|2,0,0]=4 23850 B11R2.385 C1CC(CS1)OC[C@@H]2CO2 7a_100011232664_100000745022 [0,0,0,2,0,0|2,0,0]=4 23851 B11R2.385 C1CCC(C1)CNC2CC2 34a_100000212008_100000740388 [0,0,0,2,0,0|2,0,0]=4 23852 B11R2.385 C1CCC(C1)CNC2CC2 34a_100000737975_100000211595 [0,0,0,2,0,0|2,0,0]=4 23853 B11R2.385 C1CCC(C1)COC2CC2 34a_100000742336_100000211595 [0,0,0,2,0,0|2,0,0]=4 23854 B11R2.385 C1CCC(C1)CSC2CC2 62a_100000740388_100000211595 [0,0,0,2,0,0|2,0,0]=4 23855 B11R2.385 C1CCC(C1)NCC2CC2 2230a_100000211070_100000742324 [0,0,0,2,0,0|2,0,0]=4 23856 B11R2.385 C1CCC(C1)NCC2CC2 2230a_100000735609_100000179811 [0,0,0,2,0,0|2,0,0]=4 23857 B11R2.385 C1CCC(C1)NCC2CC2 269862a_100000211070_100000741477 [0,0,0,2,0,0|2,0,0]=4 23858 B11R2.385 C1CCC(C1)NCC2CC2 270004a_100000735609_100000210133 [0,0,0,2,0,0|2,0,0]=4 23859 B11R2.385 C1CCC(C1)NCC2CC2 34a_100000211070_100000742324 [0,0,0,2,0,0|2,0,0]=4 23860 B11R2.385 C1CCC(C1)NCC2CC2 34a_100000735609_100000179811 [0,0,0,2,0,0|2,0,0]=4 23861 B11R2.385 C1CCC(C1)NCC2CO2 2230a_100000211070_100011216344 [0,0,0,2,0,0|1,0,0]=3 23862 B11R2.385 C1CCC(C1)NCC2CO2 34a_100000211070_102125554688 [0,0,0,2,0,0|1,0,0]=3 23863 B11R2.385 C1CCC(C1)OCC2CC2 34a_100000210269_100000742324 [0,0,0,2,0,0|2,0,0]=4 23864 B11R2.385 C1CCC(C1)OCC2CC2 34a_100000211283_100000179811 [0,0,0,2,0,0|2,0,0]=4 23865 B11R2.385 C1CCC(C1)OCC2CC2 7a_100000210269_100000742324 [0,0,0,2,0,0|2,0,0]=4 23866 B11R2.385 C1CCC(C1)OCC2CO2 34a_100000210269_102125554688 [0,0,0,2,0,0|1,0,0]=3 23867 B11R2.385 C1CCC(C1)OCC2CO2 7a_100000210269_102125554688 [0,0,0,2,0,0|1,0,0]=3 23868 B11R2.385 C1CCC(C1)OCC2CS2 7a_100000210269_100000031435 [0,0,0,2,0,0|1,1,0]=4 23869 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 34a_100000757423_100000179811 [0,0,0,2,0,0|1,0,0]=3 23870 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 7a_100000210269_100000745022 [0,0,0,2,0,0|1,0,0]=3 23871 B11R2.385 C1CCC(C1)SCC2CC2 62a_100000756562_100000179811 [0,0,0,2,0,0|2,0,0]=4 23872 B11R2.385 C1CCC(C1)SCC2CC2 62a_100011217020_100000742324 [0,0,0,2,0,0|2,0,0]=4 23873 B11R2.385 C1CCC(C1)SCC2CO2 62a_100011217020_102125554688 [0,0,0,2,0,0|1,0,0]=3 23874 B11R2.385 C1CCC(C1)SCC2CO2 62a_102125554688_100000179811 [0,0,0,2,0,0|1,0,0]=3 23875 B11R2.385 C1CCC(C1)SCC2CS2 62a_100000031435_100000179811 [0,0,0,2,0,0|1,1,0]=4 23876 B11R2.385 C1CCC(C1)SCC2CS2 62a_100011217020_100000031435 [0,0,0,2,0,0|1,1,0]=4 23877 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100000745022_100000179811 [0,0,0,2,0,0|1,0,0]=3 23878 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100011217020_100000745022 [0,0,0,2,0,0|1,0,0]=3 23879 B11R2.385 C1CCN(C1)CCC2CC2 2230a_100000188435_100000694398 [0,0,0,2,0,0|2,0,0]=4 23880 B11R2.385 C1CCN(C1)CCC2CC2 269982a_100000188435_100000694398 [0,0,0,2,0,0|2,0,0]=4 23881 B11R2.385 C1CCN(C1)CCC2CO2 2230a_100000188435_100000732470 [0,0,0,2,0,0|1,0,0]=3 23882 B11R2.385 C1CCN(C1)CCC2CO2 269982a_100000188435_100000732470 [0,0,0,2,0,0|1,0,0]=3 23883 B11R2.385 C1CN(CS1)CCC2CO2 2230a_100011215254_100000732470 [0,0,0,2,0,0|2,0,0]=4 23884 B11R2.385 C1CN(CS1)CCC2CO2 269982a_100011215254_100000732470 [0,0,0,2,0,0|2,0,0]=4 23885 B11R2.385 C1COC(C1)OCC2CO2 34a_100000085407_102125554688 [0,0,0,2,0,0|2,0,0]=4 23886 B11R2.385 C1C[C@@H](CO1)NCC2CO2 2230a_100015188467_100011216344 [0,0,0,2,0,0|2,0,0]=4 23887 B11R2.385 C1C[C@@H](CO1)NCC2CO2 34a_100015188467_102125554688 [0,0,0,2,0,0|2,0,0]=4 23888 B11R2.385 C1C[C@@H](CO1)OCC2CO2 34a_100000717292_102125554688 [0,0,0,2,0,0|2,0,0]=4 23889 B11R2.385 C1C[C@H](CO1)NCC2CO2 2230a_200015188469_100011216344 [0,0,0,2,0,0|2,0,0]=4 23890 B11R2.362 CC1CCN1CCC2CC2 269982a_100000755817_100000694398 [0,0,0,2,0,0|2,0,0]=4 23891 B11R2.362 CC1CCN1CCC2CC2 34a_100000755817_100000694398 [0,0,0,2,0,0|2,0,0]=4 23892 B11R2.362 CC1CCN1CCC2CO2 269982a_100000755817_100000732470 [0,0,0,2,0,0|1,0,0]=3 23893 B11R2.362 CC1CCN1CCC2CO2 34a_100000755817_100000732470 [0,0,0,2,0,0|1,0,0]=3 23894 B11R2.389 CC1(CC1COC2CC2)C 34a_100000728257_100000211595 [0,0,0,2,0,0|2,0,0]=4 23895 B11R2.506 CC1(CCCN1C2CC2)C 269982a_100000761399_100000211595 [0,0,0,2,0,0|2,0,0]=4 23896 B11R2.506 CC1(CCCN1C2CC2)C 34a_100000761399_100000211595 [0,0,0,2,0,0|2,0,0]=4 23897 B11R2.1034 C(CC1CC1)NCC2CC2 2230a_100000735609_100000694398 [0,0,0,2,0,0|2,0,0]=4 23898 B11R2.1034 C(CC1CC1)NCC2CC2 269862a_100000764129_100000741477 [0,0,0,2,0,0|2,0,0]=4 23899 B11R2.1034 C(CC1CC1)NCC2CC2 34a_100000735609_100000694398 [0,0,0,2,0,0|2,0,0]=4 23900 B11R2.1034 C(CC1CC1)NCC2CC2 34a_100000764129_100000742324 [0,0,0,2,0,0|2,0,0]=4 23901 B11R2.1034 C(CC1CC1)NCC2CO2 34a_100000764129_102125554688 [0,0,0,2,0,0|1,0,0]=3 23902 B11R2.1034 C(CC1CC1)OCC2CC2 34a_100000211283_100000694398 [0,0,0,2,0,0|2,0,0]=4 23903 B11R2.1034 C(CC1CC1)OCC2CC2 34a_100000754188_100000742324 [0,0,0,2,0,0|2,0,0]=4 23904 B11R2.1034 C(CC1CC1)OCC2CC2 7a_100000754188_100000742324 [0,0,0,2,0,0|2,0,0]=4 23905 B11R2.1034 C(CC1CC1)OCC2CO2 34a_100000754188_102125554688 [0,0,0,2,0,0|1,0,0]=3 23906 B11R2.1034 C(CC1CC1)OCC2CO2 7a_100000754188_102125554688 [0,0,0,2,0,0|1,0,0]=3 23907 B11R2.1034 C(CC1CC1)OCC2CS2 7a_100000754188_100000031435 [0,0,0,2,0,0|1,1,0]=4 23908 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 34a_100000757423_100000694398 [0,0,0,2,0,0|1,0,0]=3 23909 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 7a_100000754188_100000745022 [0,0,0,2,0,0|1,0,0]=3 23910 B11R2.1034 C(CC1CC1)SCC2CC2 62a_100000756562_100000764125 [0,0,0,2,0,0|2,0,0]=4 23911 B11R2.1034 C(CC1CC1)SCC2CC2 62a_100000764125_100000742324 [0,0,0,2,0,0|2,0,0]=4 23912 B11R2.1034 C(CC1CC1)SCC2CO2 62a_100000764125_102125554688 [0,0,0,2,0,0|1,0,0]=3 23913 B11R2.1034 C(CC1CC1)SCC2CO2 62a_102125554688_100000764125 [0,0,0,2,0,0|1,0,0]=3 23914 B11R2.1034 C(CC1CC1)SCC2CS2 62a_100000031435_100000764125 [0,0,0,2,0,0|1,1,0]=4 23915 B11R2.1034 C(CC1CC1)SCC2CS2 62a_100000764125_100000031435 [0,0,0,2,0,0|1,1,0]=4 23916 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000745022_100000764125 [0,0,0,2,0,0|1,0,0]=3 23917 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000764125_100000745022 [0,0,0,2,0,0|1,0,0]=3 23918 B11R2.1034 C(CC1CO1)NCC2CC2 2230a_100000735609_100000732470 [0,0,0,2,0,0|1,0,0]=3 23919 B11R2.1034 C(CC1CO1)NCC2CC2 34a_100000735609_100000732470 [0,0,0,2,0,0|1,0,0]=3 23920 B11R2.1034 C(CC1CO1)OCC2CC2 34a_100000211283_100000732470 [0,0,0,2,0,0|1,0,0]=3 23921 B11R2.1034 C(CC1CO1)OC[C@@H]2CO2 34a_100000757423_100000732470 [0,0,0,2,0,0|2,0,0]=4 23922 B11R2.1034 C(CC1CO1)SCC2CC2 62a_100000732470_100000742324 [0,0,0,2,0,0|1,0,0]=3 23923 B11R2.1034 C(CC1CO1)SCC2CC2 62a_100000756562_100000732470 [0,0,0,2,0,0|1,0,0]=3 23924 B11R2.1034 C(CC1CO1)SCC2CO2 62a_100000732470_102125554688 [0,0,0,2,0,0|2,0,0]=4 23925 B11R2.1034 C(CC1CO1)SCC2CO2 62a_102125554688_100000732470 [0,0,0,2,0,0|2,0,0]=4 23926 B11R2.1034 C(CC1CO1)SCC2CS2 62a_100000031435_100000732470 [0,0,0,2,0,0|2,0,0]=4 23927 B11R2.1034 C(CC1CO1)SCC2CS2 62a_100000732470_100000031435 [0,0,0,2,0,0|2,0,0]=4 23928 B11R2.1034 C(CC1CO1)SC[C@@H]2CO2 62a_100000732470_100000745022 [0,0,0,2,0,0|2,0,0]=4 23929 B11R2.1034 C(CC1CO1)SC[C@@H]2CO2 62a_100000745022_100000732470 [0,0,0,2,0,0|2,0,0]=4 23930 B11R2.1034 C(CNC1CC1)CC2CO2 34a_100000212008_100000733510 [0,0,0,2,0,0|1,0,0]=3 23931 B11R2.1034 C(CSC1CC1)CC2CO2 62a_100000733510_100000211595 [0,0,0,2,0,0|1,0,0]=3 23932 B11R2.1034 C(C[C@@H]1CO1)OCC2CC2 34a_100009820653_100000742324 [0,0,0,2,0,0|1,0,0]=3 23933 B11R2.1034 C(C[C@@H]1CO1)OCC2CO2 34a_100009820653_102125554688 [0,0,0,2,0,0|2,0,0]=4 23934 B11R2.1039 C(CC1CO1)CN2CCC2 269982a_100000754969_100000733510 [0,0,0,2,0,0|1,0,0]=3 23935 B11R2.1039 C(CC1CO1)NC2COC2 2230a_100016991112_100000732470 [0,0,0,2,0,0|2,0,0]=4 23936 B11R2.1039 C(CC1CO1)OC2CSC2 7a_100000072292_100000732470 [0,0,0,2,0,0|2,0,0]=4 23937 B11R2.1039 C(CC1CO1)SC2COC2 62a_100000732470_100009818527 [0,0,0,2,0,0|2,0,0]=4 23938 B11R2.1039 C(C[C@@H]1CO1)OC2COC2 34a_100009820653_100009818527 [0,0,0,2,0,0|2,0,0]=4 23939 B11R2.1039 C(NCC1CO1)C2COC2 2230a_100015281925_100011216344 [0,0,0,2,0,0|2,0,0]=4 23940 B11R2.1039 C(NCC1CO1)C2COC2 34a_100015281925_102125554688 [0,0,0,2,0,0|2,0,0]=4 23941 B11R2.1039 C1CC(C1)CNCC2CC2 2230a_100000735609_100000763275 [0,0,0,2,0,0|2,0,0]=4 23942 B11R2.1039 C1CC(C1)CNCC2CC2 2230a_100000738700_100000742324 [0,0,0,2,0,0|2,0,0]=4 23943 B11R2.1039 C1CC(C1)CNCC2CC2 269862a_100000738700_100000741477 [0,0,0,2,0,0|2,0,0]=4 23944 B11R2.1039 C1CC(C1)CNCC2CC2 34a_100000735609_100000763275 [0,0,0,2,0,0|2,0,0]=4 23945 B11R2.1039 C1CC(C1)CNCC2CC2 34a_100000738700_100000742324 [0,0,0,2,0,0|2,0,0]=4 23946 B11R2.1039 C1CC(C1)CNCC2CO2 2230a_100000738700_100011216344 [0,0,0,2,0,0|1,0,0]=3 23947 B11R2.1039 C1CC(C1)CNCC2CO2 34a_100000738700_102125554688 [0,0,0,2,0,0|1,0,0]=3 23948 B11R2.1039 C1CC(C1)COCC2CC2 34a_100000211283_100000763275 [0,0,0,2,0,0|2,0,0]=4 23949 B11R2.1039 C1CC(C1)COCC2CC2 34a_100000760304_100000742324 [0,0,0,2,0,0|2,0,0]=4 23950 B11R2.1039 C1CC(C1)COCC2CO2 34a_100000760304_102125554688 [0,0,0,2,0,0|1,0,0]=3 23951 B11R2.1039 C1CC(C1)COC[C@@H]2CO2 34a_100000757423_100000763275 [0,0,0,2,0,0|1,0,0]=3 23952 B11R2.1039 C1CC(C1)CSCC2CC2 62a_100000756562_100000763275 [0,0,0,2,0,0|2,0,0]=4 23953 B11R2.1039 C1CC(C1)CSCC2CC2 62a_100000763275_100000742324 [0,0,0,2,0,0|2,0,0]=4 23954 B11R2.1039 C1CC(C1)CSCC2CO2 62a_100000763275_102125554688 [0,0,0,2,0,0|1,0,0]=3 23955 B11R2.1039 C1CC(C1)CSCC2CO2 62a_102125554688_100000763275 [0,0,0,2,0,0|1,0,0]=3 23956 B11R2.1039 C1CC(C1)CSCC2CS2 62a_100000031435_100000763275 [0,0,0,2,0,0|1,1,0]=4 23957 B11R2.1039 C1CC(C1)CSCC2CS2 62a_100000763275_100000031435 [0,0,0,2,0,0|1,1,0]=4 23958 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000745022_100000763275 [0,0,0,2,0,0|1,0,0]=3 23959 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000763275_100000745022 [0,0,0,2,0,0|1,0,0]=3 23960 B11R2.1039 C1CC(C1)NCCC2CC2 2230a_100000749019_100000694398 [0,0,0,2,0,0|2,0,0]=4 23961 B11R2.1039 C1CC(C1)NCCC2CC2 270004a_100000764129_100000241760 [0,0,0,2,0,0|2,0,0]=4 23962 B11R2.1039 C1CC(C1)NCCC2CC2 34a_100000749019_100000694398 [0,0,0,2,0,0|2,0,0]=4 23963 B11R2.1039 C1CC(C1)NCCC2CC2 34a_100000764129_100000749161 [0,0,0,2,0,0|2,0,0]=4 23964 B11R2.1039 C1CC(C1)NCCC2CO2 2230a_100000749019_100000732470 [0,0,0,2,0,0|1,0,0]=3 23965 B11R2.1039 C1CC(C1)NCCC2CO2 34a_100000749019_100000732470 [0,0,0,2,0,0|1,0,0]=3 23966 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000748187_100000694398 [0,0,0,2,0,0|2,0,0]=4 23967 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000754188_100000749161 [0,0,0,2,0,0|2,0,0]=4 23968 B11R2.1039 C1CC(C1)OCCC2CO2 34a_100000748187_100000732470 [0,0,0,2,0,0|1,0,0]=3 23969 B11R2.1039 C1CC(C1)OCC[C@@H]2CO2 34a_100009820653_100000749161 [0,0,0,2,0,0|1,0,0]=3 23970 B11R2.1039 C1CC(C1)SCCC2CC2 62a_100000764125_100000749161 [0,0,0,2,0,0|2,0,0]=4 23971 B11R2.1039 C1CC(C1)SCCC2CO2 62a_100000732470_100000749161 [0,0,0,2,0,0|1,0,0]=3 23972 B11R2.1039 C1CC(O1)COCC2CO2 34a_100000039022_102125554688 [0,0,0,2,0,0|2,0,0]=4 23973 B11R2.1039 C1CC(O1)COC[C@@H]2CO2 34a_100000757423_100000103362 [0,0,0,2,0,0|2,0,0]=4 23974 B11R2.1039 C1CC(O1)CSCC2CO2 62a_100000103362_102125554688 [0,0,0,2,0,0|2,0,0]=4 23975 B11R2.1039 C1CC(O1)CSCC2CO2 62a_102125554688_100000103362 [0,0,0,2,0,0|2,0,0]=4 23976 B11R2.1039 C1CC(O1)CSC[C@@H]2CO2 62a_100000103362_100000745022 [0,0,0,2,0,0|2,0,0]=4 23977 B11R2.1039 C1CC(O1)CSC[C@@H]2CO2 62a_100000745022_100000103362 [0,0,0,2,0,0|2,0,0]=4 23978 B11R2.1039 C1C[C@H](O1)CNCC2CO2 2230a_100020831831_100011216344 [0,0,0,2,0,0|2,0,0]=4 23979 B11R2.1039 C1C[C@H](O1)CNCC2CO2 34a_100020831831_102125554688 [0,0,0,2,0,0|2,0,0]=4 23980 B11R2.1039 C1NCC1COCC2CO2 34a_100016987283_102125554688 [0,0,0,2,0,0|2,0,0]=4 23981 B11R2.1039 C1OCC1COCC2CO2 34a_100000060846_102125554688 [0,0,0,2,0,0|2,0,0]=4 23982 B11R2.1039 C1OCC1COC[C@@H]2CO2 34a_100000757423_100010264016 [0,0,0,2,0,0|2,0,0]=4 23983 B11R2.1039 C1OCC1CSCC2CO2 62a_100010264016_102125554688 [0,0,0,2,0,0|2,0,0]=4 23984 B11R2.1039 C1OCC1CSCC2CO2 62a_102125554688_100010264016 [0,0,0,2,0,0|2,0,0]=4 23985 B11R2.1039 C1OCC1CSC[C@@H]2CO2 62a_100000745022_100010264016 [0,0,0,2,0,0|2,0,0]=4 23986 B11R2.1039 C1OCC1CSC[C@@H]2CO2 62a_100010264016_100000745022 [0,0,0,2,0,0|2,0,0]=4 23987 B11R2.143 CCCN1CCCC12CC2 2230a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 23988 B11R2.143 CCCN1CCCC12CC2 269982a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 23989 B11R2.143 CCCN1CCCC12CC2 34a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 23990 B11R2.143 CCNC1CCCC12CC2 269862a_100015525214_100009881796 [0,0,0,2,0,0|2,0,0]=4 23991 B11R2.1036 C1CCCN(CC1)C2CC2 269982a_100000185865_100000211595 [0,0,0,2,0,0|2,0,0]=4 23992 B11R2.1036 C1CCCN(CC1)C2CC2 34a_100000185865_100000211595 [0,0,0,2,0,0|2,0,0]=4