0 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [1,0,0,0,0,0|1,0,2]=4 3 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 COCCOCCOC(=O)C CSC000062832 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.71 CCCCCCCSCCO CSC011304838 [1,0,0,0,0,0|1,0,2]=4 9 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,1,0,0,0,0|0,0,0]=1 10 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,1,0,0,0,0|1,0,0]=2 11 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [0,1,0,0,0,0|1,0,0]=2 12 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [0,1,0,0,0,0|0,0,0]=1 13 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [0,1,0,0,0,0|1,0,0]=2 14 B12R0.248 CCCCCCCSCC(=O)OC CSC000048336 [0,1,0,0,0,0|1,0,0]=2 15 B12R0.255 CCCCCCC(=O)OCC(=C)C CSC020365726 [0,1,0,0,0,0|2,0,1]=4 16 B12R0.268 CC(=O)OCCCCCOC(=O)C CSC000031416 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.75 CCC1CCCCC1NC(=O)C CSC011265613 [0,0,0,1,0,0|1,0,0]=2 18 B12R1.75 CCC1CCCCN1CC(C)N CSC011282995 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.75 CCC1CCCCN1CC(C)O CSC011366229 [0,0,0,1,0,0|1,0,2]=4 20 B12R1.75 CCC1CCCCN1C[C@H](C)O CSC013227944 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.125 CC1CC=CCC1COC(=O)C CSC000026606 [0,0,0,1,0,0|1,0,2]=4 22 B12R1.125 CC1CCCCC1CNC(=O)C CSC011500032 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.125 CC1CCCCN1CCC(=O)O CSC000727554 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.125 CC1COCCC1CNC(=O)C CSC015246556 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.210 CC1CCSCCN1CC(=C)C CSC046118557 [0,0,0,1,0,0|3,0,0]=4 26 B12R1.252 CC(=O)NCCC1=CCCCC1 CSC000192970 [0,0,0,1,0,0|1,0,2]=4 27 B12R1.252 CC(=O)NCCC1CCNCC1 CSC011370063 [0,0,0,1,0,0|2,0,0]=3 28 B12R1.252 CC(=O)OCCC1CCCCC1 CSC009881819 [0,0,0,1,0,0|1,0,0]=2 29 B12R1.252 CC(C)CNCC1CCCCC1 CSC000200920 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.252 CC(O)CNCC1CCCCC1 CSC000202053 [0,0,0,1,0,0|1,0,2]=4 31 B12R1.252 NC(=O)CCCC1CCCCC1 CSC000162275 [0,0,0,1,0,0|1,0,0]=2 32 B12R1.255 CC(=O)NCCCN1CCCC1 CSC000207323 [0,0,0,1,0,0|2,0,0]=3 33 B12R1.255 CN(C)CCCNC1CCCC1 CSC000201077 [0,0,0,1,0,0|3,0,0]=4 34 B12R1.283 CC(=O)N1CCCCC1CCN CSC011917731 [0,0,0,1,0,0|2,0,0]=3 35 B12R1.283 CC(=O)N1CCCCC1CCO CSC011241323 [0,0,0,1,0,0|2,0,0]=3 36 B12R1.283 CC(=O)N1CCSCC1CCO CSC016129534 [0,0,0,1,0,0|3,0,0]=4 37 B12R1.283 CCCN1CCCCC1C(C)N CSC011833703 [0,0,0,1,0,0|2,0,1]=4 38 B12R1.283 CCCN1CCCCC1C(C)O CSC021905944 [0,0,0,1,0,0|1,0,2]=4 39 B12R1.1343 CC(=O)NN=C1CCCCCC1 CSC015302021 [0,0,0,1,0,0|2,0,1]=4 40 B12R1.1392 CC(=O)NC1CCCCCCC1 CSC000160966 [0,0,0,1,0,0|1,0,0]=2 41 B12R1.1392 NC(=O)NC1CCCCCCC1 CSC000238964 [0,0,0,1,0,0|2,0,0]=3 42 B9R0.2 CCCCCCCC(=O)N CSC011216093 [2,0,0,0,0,0|1,0,0]=3 43 B9R0.2 CCCCCCOC(=O)C CSC000032130 [2,0,0,0,0,0|1,0,0]=3 44 B9R0.2 CCOCCCNC(=O)C CSC000161218 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.45 CCCCCCSCCO CSC011304839 [2,0,0,0,0,0|1,0,1]=4 46 B9R0.45 CCCCSCCOCC CSC000053094 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.45 CCSCCCCSCC CSC000116838 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.45 CSCCCCCCSC CSC000036278 [2,0,0,0,0,0|2,0,0]=4 49 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [1,1,0,0,0,0|1,0,0]=3 50 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [1,1,0,0,0,0|0,0,0]=2 51 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [1,1,0,0,0,0|1,0,0]=3 52 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [1,1,0,0,0,0|1,0,1]=4 53 B11R0.159 CCCCCCCNS(=O)(=O)C CSC009866289 [1,1,0,0,0,0|2,0,0]=4 54 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [1,1,0,0,0,0|1,0,1]=4 55 B11R0.3 CCCSCCCCSCCC CSC009990883 [1,1,0,0,0,0|1,0,1]=4 56 B13R0.71 CCC(C)CN(C)CCCCC(=O)O CSC011287507 [0,2,0,0,0,0|2,0,0]=4 57 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,2,0,0,0,0|1,0,1]=4 58 B13R0.261 CCCC(C)N(C)CCCCC(=O)O CSC011318340 [0,2,0,0,0,0|2,0,0]=4 59 B13R0.300 CCCCN(CC)CCCCC(=O)O CSC011248781 [0,2,0,0,0,0|2,0,0]=4 60 B13R0.345 CCCCC(C)C(C)NCCC(=O)O CSC057009880 [0,2,0,0,0,0|2,0,0]=4 61 B13R0.442 CC(C)CNCCCCCS(=O)(=O)C CSC011823474 [0,2,0,0,0,0|2,0,0]=4 62 B13R0.88 CCCC(=O)NCCCCCC(=O)O CSC000205554 [0,2,0,0,0,0|1,0,1]=4 63 B13R0.201 COC(=O)CCCCCCC(=O)OC CSC000032211 [0,2,0,0,0,0|1,0,1]=4 64 B13R0.194 CCCCCC(=O)NCCC(=O)NC CSC026851988 [0,2,0,0,0,0|1,0,1]=4 65 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,2,0,0,0,0|1,0,0]=3 66 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,2,0,0,0,0|0,0,0]=2 67 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,2,0,0,0,0|1,0,0]=3 68 B13R0.119 CCCCC(=O)NCCCCC(=O)O CSC011593354 [0,2,0,0,0,0|1,0,1]=4 69 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,2,0,0,0,0|1,0,0]=3 70 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,2,0,0,0,0|0,0,0]=2 71 B13R0.150 CCCCCCCCCC(=O)N(C)C CSC011217813 [0,2,0,0,0,0|0,0,0]=2 72 B13R0.150 CCCCCCCCNC(=O)C(C)O CSC009992393 [0,2,0,0,0,0|1,0,0]=3 73 B13R0.150 CCCCOCCCNC(=O)C(C)N CSC011598424 [0,2,0,0,0,0|2,0,0]=4 74 B13R0.154 CCCCCCNC(=O)CCC(=O)O CSC000199496 [0,2,0,0,0,0|1,0,1]=4 75 B13R0.179 CC(=O)NCCCCCCNC(=O)C CSC000013527 [0,2,0,0,0,0|1,0,1]=4 76 B13R0.179 CC(=O)OCCCCCCOC(=O)C CSC000038373 [0,2,0,0,0,0|1,0,1]=4 77 B13R0.179 NC(=O)CCCCCCCCC(=O)N CSC000063359 [0,2,0,0,0,0|1,0,1]=4 78 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,2,0,0,0,0|0,0,0]=2 79 B13R0.2 CCCCCCCCOC(=O)CCC CSC000047179 [0,2,0,0,0,0|1,0,0]=3 80 B13R0.2 CCCCOCCCNC(=O)CCN CSC011598422 [0,2,0,0,0,0|2,0,0]=4 81 B13R0.2 CCCCOCCCNC(=O)CNC CSC000225788 [0,2,0,0,0,0|2,0,0]=4 82 B13R0.340 CCCCCCCNC(=O)C(=O)NC CSC010776665 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.53 CC(=O)N1CCCCC1CN CSC011552701 [1,0,0,1,0,0|2,0,0]=4 84 B11R1.53 CCC1CCCCN1C(=O)N CSC000748989 [1,0,0,1,0,0|2,0,0]=4 85 B11R1.57 CC(=O)NC1CCCC1CN CSC011781717 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O CSC013036222 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O CSC013036315 [1,0,0,1,0,0|2,0,0]=4 88 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [1,0,0,1,0,0|1,0,0]=3 89 B11R1.86 CC1CCCCC1NC(=O)N CSC000184843 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.86 CC1CCCCN1CC(=C)C CSC046267867 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.86 CC1CCCCN1CC(=O)C CSC000180633 [1,0,0,1,0,0|1,0,0]=3 92 B11R1.86 CC1CCCCN1CC(=O)N CSC000174848 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.90 CC(=O)NCC1CCCC1O CSC012367623 [1,0,0,1,0,0|2,0,0]=4 94 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.91 CC(=O)NCC1CCCNC1 CSC011207013 [1,0,0,1,0,0|2,0,0]=4 96 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [1,0,0,1,0,0|2,0,0]=4 97 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [1,0,0,1,0,0|1,0,0]=3 98 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [1,0,0,1,0,0|2,0,0]=4 99 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [1,0,0,1,0,0|1,0,0]=3 100 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [1,0,0,1,0,0|2,0,0]=4 101 B11R1.91 NC(=O)CSC1CCCCC1 CSC000149379 [1,0,0,1,0,0|2,0,0]=4 102 B11R1.193 CNCC1CCCN1C(=O)C CSC012662834 [1,0,0,1,0,0|2,0,0]=4 103 B11R1.742 CC(=O)NC1CCCCCC1 CSC000161067 [1,0,0,1,0,0|1,0,0]=3 104 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [1,0,0,1,0,0|1,0,0]=3 105 B11R1.742 NC(=O)NC1CCCCCC1 CSC000238987 [1,0,0,1,0,0|2,0,0]=4 106 B11R1.17 COCCN1CCCCC1C CSC046181585 [1,0,0,1,0,0|2,0,0]=4 107 B11R1.17 CSCCC1CCCCN1C CSC015239825 [1,0,0,1,0,0|2,0,0]=4 108 B11R1.17 CSCCN1CCCCC1C CSC046128381 [1,0,0,1,0,0|2,0,0]=4 109 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [1,0,0,1,0,0|2,0,0]=4 110 B11R1.28 CNCCNC1CCCCC1 CSC011419825 [1,0,0,1,0,0|2,0,0]=4 111 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [1,0,0,1,0,0|1,0,1]=4 112 B11R1.203 COCCN1CCCCCC1 CSC000234625 [1,0,0,1,0,0|2,0,0]=4 113 B11R1.203 COCCN1CCCCCC1 CSC000234625 [1,0,0,1,0,0|2,0,0]=4 114 B11R1.203 CSCCN1CCCCCC1 CSC000209152 [1,0,0,1,0,0|2,0,0]=4 115 B13R1.158 CC1CSCCN1CCCC(=O)O CSC011976763 [0,1,0,1,0,0|2,0,0]=4 116 B13R1.337 CC(=O)NCCCN1CCCCC1 CSC000207118 [0,1,0,1,0,0|1,0,0]=3 117 B13R1.337 CC(=O)NCCCN1CCOCC1 CSC000159220 [0,1,0,1,0,0|2,0,0]=4 118 B13R1.337 CC(C)CCNCC1CCCCC1 CSC000200859 [0,1,0,1,0,0|1,0,1]=4 119 B13R1.4012 CCCC1C(CCCN1C(=O)C)C CSC015417601 [0,1,0,1,0,0|1,0,0]=3 120 B13R1.100 CCC1CCCC1CNS(=O)(=O)C CSC047798870 [0,1,0,1,0,0|2,0,0]=4 121 B13R1.157 CC1CCCCC1CNS(=O)(=O)C CSC011506170 [0,1,0,1,0,0|2,0,0]=4 122 B13R1.381 CCCC1CCCCN1S(=O)(=O)C CSC013158822 [0,1,0,1,0,0|2,0,0]=4 123 B13R1.622 CCC1CCCCC1NS(=O)(=O)C CSC011275984 [0,1,0,1,0,0|2,0,0]=4 124 B13R1.3523 CS(=O)(=O)NCCC1CCCCC1 CSC011255690 [0,1,0,1,0,0|2,0,0]=4 125 B13R1.6279 CS(=O)(=O)NC1CCCCCCC1 CSC000169700 [0,1,0,1,0,0|2,0,0]=4 126 B13R1.3787 CC1CCCC(N1CCC(=O)O)C CSC046098707 [0,1,0,1,0,0|2,0,0]=4 127 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [0,1,0,1,0,0|1,0,0]=3 128 B13R1.343 NC(=O)CCSCCC1CCCO1 CSC020046681 [0,1,0,1,0,0|2,0,0]=4 129 B13R1.392 CSCC1CCCN1CCC(=O)O CSC018911493 [0,1,0,1,0,0|2,0,0]=4 130 B13R1.610 CCC1CCCCCN1CC(C)O CSC013391067 [0,1,0,1,0,0|0,0,2]=4 131 B13R1.610 CCC1CCCCCN1C[C@H](C)O CSC013391117 [0,1,0,1,0,0|0,0,2]=4 132 B13R1.610 CCN1CCCCCC1CC(C)O CSC013644422 [0,1,0,1,0,0|0,0,2]=4 133 B13R1.670 CCSCCN1CCCC1C(=O)O CSC012934726 [0,1,0,1,0,0|2,0,0]=4 134 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O CSC042345213 [0,1,0,1,0,0|2,0,0]=4 135 B13R1.1022 CC(=O)NN=C1CCCCCCC1 CSC000004136 [0,1,0,1,0,0|1,0,1]=4 136 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [0,1,0,1,0,0|1,0,0]=3 137 B13R1.91 CCC1CCCCC1NC(=O)NC CSC011276899 [0,1,0,1,0,0|1,0,0]=3 138 B13R1.382 CCCC1CCCCN1C(=O)NC CSC013373004 [0,1,0,1,0,0|1,0,0]=3 139 B13R1.393 CCSC1CCCC1NC(=O)CN CSC012919081 [0,1,0,1,0,0|2,0,0]=4 140 B13R1.528 CNC(=O)NCC1CCCCC1C CSC011500114 [0,1,0,1,0,0|1,0,0]=3 141 B13R1.528 COC(=O)CCN1CCCCC1C CSC000176925 [0,1,0,1,0,0|1,0,0]=3 142 B13R1.536 CCC(=O)NCCCN1CCCC1 CSC000207326 [0,1,0,1,0,0|2,0,0]=4 143 B13R1.611 CCC1CCCCCN1C(=O)CC CSC012138984 [0,1,0,1,0,0|1,0,0]=3 144 B13R1.718 COC(=O)CCCN1CCCCC1 CSC011293852 [0,1,0,1,0,0|1,0,0]=3 145 B13R1.718 COC(=O)CCCN1CCOCC1 CSC011293841 [0,1,0,1,0,0|2,0,0]=4 146 B13R1.718 COC(=O)CCCN1CCSCC1 CSC011293871 [0,1,0,1,0,0|2,0,0]=4 147 B13R1.1711 COC(=O)CCN1CCCCCC1 CSC000177403 [0,1,0,1,0,0|1,0,0]=3 148 B13R1.1870 CCC(=O)NC1CCCCCCC1 CSC000160969 [0,1,0,1,0,0|1,0,0]=3 149 B13R1.45 CN(CCC(=O)N)C1CCCCC1 CSC000177527 [0,1,0,1,0,0|2,0,0]=4 150 B13R1.8682 CC1(CCCCCC1)CNC(=O)N CSC015525790 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.689 CC(=C)CN1C2CCC1CCC2 CSC048331352 [0,0,0,2,0,0|2,0,0]=4 152 B13R2.687 CC(=C)CN1CCC2C1CCC2 CSC046173173 [0,0,0,2,0,0|2,0,0]=4 153 B13R2.5551 CC(=O)OCC1CC2CCC1C2 CSC000026639 [0,0,0,2,0,0|1,0,0]=3 154 B13R2.423 NC(=O)C1CC1C2CCCCC2 CSC015437576 [0,0,0,2,0,0|1,0,0]=3 155 B13R2.423 NC(=O)[C@@H]1C[C@H]1C2CCNCC2 CSC041552066 [0,0,0,2,0,0|2,0,0]=4 156 B13R2.249 OCCN1C2CCC1CC(=O)C2 CSC010475267 [0,0,0,2,0,0|2,0,0]=4