0 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.4 CCCCCCCCC(=O)N Z296759818 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 CCCCCCCCC(=O)O Z104473336 [1,0,0,0,0,0|1,0,0]=2 8 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.4 CCCCCCOCC(=O)O Z362795556 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.4 COCCCOCCC(=O)O Z608071756 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.4 COCCOCCCC(=O)O Z316259206 [1,0,0,0,0,0|3,0,0]=4 13 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.71 C=CCCCCCCCCN Z2083000288 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.71 CCCCCCCCCC=O Z104477054 [1,0,0,0,0,0|0,0,0]=1 17 B10R0.71 CCCCCCCCCCN Z362810900 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.71 CCCCCCCCCNC Z752371288 [1,0,0,0,0,0|1,0,0]=2 19 B10R0.71 CCCCCNCCCOC Z137847940 [1,0,0,0,0,0|2,0,0]=3 20 B12R0.4 CCCCCCCC(N)CC(=O)O Z2732205949 [0,1,0,0,0,0|1,0,0]=2 21 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [0,1,0,0,0,0|1,0,1]=3 22 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [0,1,0,0,0,0|1,0,0]=2 23 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [0,1,0,0,0,0|1,0,0]=2 24 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [0,1,0,0,0,0|1,0,0]=2 25 B12R0.248 C=CC(=O)NCCCCCCCC Z1509144978 [0,1,0,0,0,0|1,0,1]=3 26 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Z2768516745 [0,1,0,0,0,0|1,0,0]=2 27 B12R0.255 COCCCCN(C)CCC(=O)O Z1459937344 [0,1,0,0,0,0|3,0,0]=4 28 B12R0.268 CC(=O)NCCCCCNC(=O)C Z1509147903 [0,1,0,0,0,0|2,0,1]=4 29 B12R0.268 CC(C)OCCCNCCC(=O)N Z57030971 [0,1,0,0,0,0|3,0,0]=4 30 B12R0.268 NC(=O)CCCCCCCC(=O)N Z1137326066 [0,1,0,0,0,0|2,0,1]=4 31 B12R0.268 O=C(O)CCCCCCCC(=O)O Z57127532 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.28 CCCCNC1CCCC(C1)C Z90506808 [0,0,0,1,0,0|2,0,1]=4 33 B12R1.75 CCN1CCOCC1CC(=O)O Z3214695790 [0,0,0,1,0,0|3,0,0]=4 34 B12R1.75 CC[C@H]1CNCC[C@H]1CC(=O)N Z4775699423 [0,0,0,1,0,0|2,0,0]=3 35 B12R1.75 COC1COCCC1CC(=O)O Z1416177800 [0,0,0,1,0,0|3,0,0]=4 36 B12R1.81 CCN1CCCC1CNC(=O)N Z228589508 [0,0,0,1,0,0|3,0,0]=4 37 B12R1.125 CC1CCCCC1OCC(=O)O Z316259180 [0,0,0,1,0,0|2,0,0]=3 38 B12R1.125 CC1CNCCC1CCC(=O)O Z2235791789 [0,0,0,1,0,0|2,0,0]=3 39 B12R1.125 CN1CCCCC1CCC(=O)O Z1839480698 [0,0,0,1,0,0|2,0,0]=3 40 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [0,0,0,1,0,0|2,0,0]=3 41 B12R1.212 NC1CCCCCCC1C(=O)O Z1404660384 [0,0,0,1,0,0|2,0,0]=3 42 B12R1.215 O=C1CCCCCCCCCN1 Z1509140506 [0,0,0,1,0,0|1,0,0]=2 43 B12R1.215 O=C1CCNCCCCCCN1 Z1618142864 [0,0,0,1,0,0|2,0,0]=3 44 B12R1.252 CC(=O)NCCC1=CCCCC1 Z69091529 [0,0,0,1,0,0|1,0,2]=4 45 B12R1.252 CC(=O)NCCC1CCCNC1 Z1457132495 [0,0,0,1,0,0|2,0,0]=3 46 B12R1.252 CC(=O)NCCN1CCCCC1 Z2713330537 [0,0,0,1,0,0|2,0,0]=3 47 B12R1.252 CC(=O)NCCN1CCOCC1 Z32409842 [0,0,0,1,0,0|3,0,0]=4 48 B12R1.252 CC(N)COCC1CCCCC1 Z2832158623 [0,0,0,1,0,0|2,0,1]=4 49 B12R1.252 CN(C)CCCC1CCNCC1 Z963594216 [0,0,0,1,0,0|3,0,0]=4 50 B12R1.252 CN(C)CCNC1CCCCC1 Z600428512 [0,0,0,1,0,0|3,0,0]=4 51 B12R1.252 N=C(N)CCCN1CCCCC1 Z1695785893 [0,0,0,1,0,0|3,0,0]=4 52 B12R1.252 N=C(N)CCOC1CCCCC1 Z823287508 [0,0,0,1,0,0|3,0,0]=4 53 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [0,0,0,1,0,0|1,0,0]=2 54 B12R1.252 O=C(O)CCCC1CCCCN1 Z2106608775 [0,0,0,1,0,0|2,0,0]=3 55 B12R1.252 O=C(O)CCCC1CCCNC1 Z2831439612 [0,0,0,1,0,0|2,0,0]=3 56 B12R1.252 O=C(O)CCCC1CCNCC1 Z2106608777 [0,0,0,1,0,0|2,0,0]=3 57 B12R1.252 O=C(O)CCCC1CCOCC1 Z1209411166 [0,0,0,1,0,0|2,0,0]=3 58 B12R1.252 O=C(O)CCCN1CCCCC1 Z600397690 [0,0,0,1,0,0|2,0,0]=3 59 B12R1.252 O=C(O)CCCN1CCNCC1 Z5247767817 [0,0,0,1,0,0|3,0,0]=4 60 B12R1.252 O=C(O)CCNC1CCCCC1 Z3344728240 [0,0,0,1,0,0|2,0,0]=3 61 B12R1.252 O=C(O)CCNC1CCNCC1 Z1737940641 [0,0,0,1,0,0|3,0,0]=4 62 B12R1.252 O=C(O)CCOC1CCOCC1 Z802587588 [0,0,0,1,0,0|3,0,0]=4 63 B12R1.252 O=C(O)COCC1CCCOC1 Z2684036156 [0,0,0,1,0,0|3,0,0]=4 64 B12R1.252 O=C(O)COCC1CCNCC1 Z3571155173 [0,0,0,1,0,0|3,0,0]=4 65 B12R1.252 O=C(O)CSCC1CCCCO1 Z214812604 [0,0,0,1,0,0|3,0,0]=4 66 B12R1.255 NC(=O)CCCCC1CCSS1 Z101185540 [0,0,0,1,0,0|3,0,0]=4 67 B12R1.255 O=C(O)CCCCC1CCSS1 Z56969297 [0,0,0,1,0,0|3,0,0]=4 68 B12R1.255 O=C(O)CCCCC1CSSC1 Z1508929151 [0,0,0,1,0,0|3,0,0]=4 69 B12R1.255 O=C(O)CCCCN1CCCC1 Z1650859695 [0,0,0,1,0,0|2,0,0]=3 70 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Z1269228108 [0,0,0,1,0,0|3,0,0]=4 71 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Z1269169215 [0,0,0,1,0,0|3,0,0]=4 72 B12R1.255 O=C(O)CCOCC1CCCO1 Z316259312 [0,0,0,1,0,0|3,0,0]=4 73 B12R1.283 CCCN1CCCCC1C(=O)O Z763030024 [0,0,0,1,0,0|2,0,0]=3 74 B12R1.375 OCCCCCCCCC1CO1 Z1896536419 [0,0,0,1,0,0|1,0,2]=4 75 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [0,0,0,1,0,0|2,0,0]=3 76 B12R1.1343 O=C(O)CCN1CCCCCC1 Z1171978831 [0,0,0,1,0,0|2,0,0]=3 77 B12R1.1392 CC(=O)NC1CCCCCCC1 Z32415866 [0,0,0,1,0,0|1,0,0]=2 78 B9R0.2 CCCCCCCC(=O)O Z104495238 [2,0,0,0,0,0|1,0,0]=3 79 B9R0.2 CCCCCNCC(=O)N Z104536260 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.2 CCCCCOCC(=O)O Z409357548 [2,0,0,0,0,0|2,0,0]=4 81 B9R0.2 CCCCSCCC(=O)O Z149304844 [2,0,0,0,0,0|2,0,0]=4 82 B9R0.2 CCNCCCCC(=O)O Z2893830564 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.2 NCCCCCCC(=O)O Z56896351 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.45 CCCCCCCCCO Z104476100 [2,0,0,0,0,0|0,0,1]=3 85 B9R0.45 CCCCCCCNC=O Z1203732044 [2,0,0,0,0,0|1,0,0]=3 86 B9R0.45 CCCCCCNCCO Z137800948 [2,0,0,0,0,0|1,0,1]=4 87 B9R0.45 CCCCOCCCCO Z993012624 [2,0,0,0,0,0|1,0,1]=4 88 B9R0.45 NCCCCCCCCN Z1203577927 [2,0,0,0,0,0|2,0,0]=4 89 B9R0.45 NCCCCCCCCO Z4745386600 [2,0,0,0,0,0|1,0,1]=4 90 B11R0.2 CCCCCCC(C)CC(=O)O Z362824108 [1,1,0,0,0,0|1,0,0]=3 91 B11R0.2 CCCCCCN(C)CC(=O)O Z1259273334 [1,1,0,0,0,0|2,0,0]=4 92 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [1,1,0,0,0,0|0,0,1]=3 93 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [1,1,0,0,0,0|1,0,1]=4 94 B11R0.30 CC(C)CCNCCCC(=O)O Z1696091863 [1,1,0,0,0,0|2,0,0]=4 95 B11R0.40 CCCCOCCNC(=O)CCl Z730584898 [1,1,0,0,0,0|2,0,0]=4 96 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [1,1,0,0,0,0|1,0,0]=3 97 B11R0.46 CCCCCN(C)CCC(=O)O Z1459932154 [1,1,0,0,0,0|2,0,0]=4 98 B11R0.111 CCC(N)COCCCC(=O)O Z5332674953 [1,1,0,0,0,0|2,0,0]=4 99 B11R0.3 CCCCCCCCCCC=O Z993017862 [1,1,0,0,0,0|0,0,0]=2 100 B11R0.3 CCCCCCCCCCNC Z102767086 [1,1,0,0,0,0|0,0,1]=3 101 B11R0.3 CCCCCCCCSCCO Z425753146 [1,1,0,0,0,0|0,0,2]=4 102 B11R0.3 CCCCCCCNCCCO Z139305228 [1,1,0,0,0,0|0,0,2]=4 103 B11R0.140 CCCCCN(C)CCCCC Z138914642 [1,1,0,0,0,0|1,0,1]=4 104 B13R0.335 CCCCCCCCC(C)CC(=O)O Z1269116031 [0,2,0,0,0,0|1,0,0]=3 105 B13R0.280 CCCCCCCCCCP(=O)(C)C Z57683826 [0,2,0,0,0,0|1,0,0]=3 106 B13R0.442 CS(=O)(=O)CCCCCCCC(=O)O Z4400674190 [0,2,0,0,0,0|2,0,0]=4 107 B13R0.194 CCCCCC(=O)NCCC(=O)NC Z781989366 [0,2,0,0,0,0|1,0,1]=4 108 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,2,0,0,0,0|1,0,0]=3 109 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,2,0,0,0,0|1,0,0]=3 110 B13R0.54 O=C(O)CCCCCCCCCCBr Z57953031 [0,2,0,0,0,0|1,0,0]=3 111 B13R0.147 CCCCCCCCCNC(=O)NC Z339780518 [0,2,0,0,0,0|0,0,0]=2 112 B13R0.147 COC(=O)CCCCCCCCCN Z3221366174 [0,2,0,0,0,0|0,0,0]=2 113 B13R0.150 CCCCCCCCCC(O)C(=O)O Z1269030530 [0,2,0,0,0,0|1,0,0]=3 114 B13R0.150 CCCCCCCCNC(=O)C(=O)O Z1509025750 [0,2,0,0,0,0|1,0,1]=4 115 B13R0.150 CCCCCCCCNC(=O)C(C)O Z1269137708 [0,2,0,0,0,0|1,0,0]=3 116 B13R0.154 CCCCCCCC(=O)NCC(=O)O Z362780008 [0,2,0,0,0,0|1,0,1]=4 117 B13R0.179 O=C(O)CCCCCCCCC(=O)O Z104475420 [0,2,0,0,0,0|1,0,1]=4 118 B13R0.202 CNC(=O)NCCCCCCC(C)C Z230854314 [0,2,0,0,0,0|1,0,0]=3 119 B13R0.202 COC(=O)CCNCCCOC(C)C Z57030941 [0,2,0,0,0,0|2,0,0]=4 120 B13R0.2 CCCCCCCCNC(=O)CC#N Z56809223 [0,2,0,0,0,0|1,0,0]=3 121 B13R0.340 CCOCCCNCC(C)C(=O)OC Z53110763 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [1,0,0,1,0,0|1,0,0]=3 123 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [1,0,0,1,0,0|2,0,0]=4 124 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [1,0,0,1,0,0|1,0,0]=3 125 B11R1.53 CCC1CCCCN1C(=O)N Z235248554 [1,0,0,1,0,0|2,0,0]=4 126 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [1,0,0,1,0,0|2,0,0]=4 127 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [1,0,0,1,0,0|2,0,0]=4 128 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [1,0,0,1,0,0|2,0,0]=4 129 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [1,0,0,1,0,0|2,0,0]=4 130 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [1,0,0,1,0,0|2,0,0]=4 131 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [1,0,0,1,0,0|1,0,0]=3 132 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [1,0,0,1,0,0|1,0,0]=3 133 B11R1.86 CC1CCCCC1NC(=O)N Z56985817 [1,0,0,1,0,0|2,0,0]=4 134 B11R1.86 CC1CCCCN1CC(=O)N Z54751033 [1,0,0,1,0,0|2,0,0]=4 135 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [1,0,0,1,0,0|2,0,0]=4 136 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [1,0,0,1,0,0|2,0,0]=4 137 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [1,0,0,1,0,0|2,0,0]=4 138 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [1,0,0,1,0,0|2,0,0]=4 139 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [1,0,0,1,0,0|2,0,0]=4 140 B11R1.91 CC(=O)/C=C/C1CCCCC1 Z1217226894 [1,0,0,1,0,0|0,0,2]=4 141 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [1,0,0,1,0,0|0,0,0]=2 142 B11R1.91 CC(=O)CCN1CCOCC1 Z53116541 [1,0,0,1,0,0|2,0,0]=4 143 B11R1.91 CC(=O)CCN1CCSCC1 Z906169788 [1,0,0,1,0,0|2,0,0]=4 144 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [1,0,0,1,0,0|2,0,0]=4 145 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [1,0,0,1,0,0|2,0,0]=4 146 B11R1.91 CC(=O)NCC1CCNCC1 Z425484868 [1,0,0,1,0,0|2,0,0]=4 147 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [1,0,0,1,0,0|2,0,0]=4 148 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [1,0,0,1,0,0|2,0,0]=4 149 B11R1.91 CC(O)CCC1CCCCC1 Z854048750 [1,0,0,1,0,0|0,0,2]=4 150 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [1,0,0,1,0,0|1,0,0]=3 151 B11R1.91 NC(=O)CCC1CCCNC1 Z852089132 [1,0,0,1,0,0|2,0,0]=4 152 B11R1.91 NC(=O)CCC1CCNCC1 Z963586266 [1,0,0,1,0,0|2,0,0]=4 153 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [1,0,0,1,0,0|2,0,0]=4 154 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [1,0,0,1,0,0|1,0,0]=3 155 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [1,0,0,1,0,0|2,0,0]=4 156 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [1,0,0,1,0,0|2,0,0]=4 157 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [1,0,0,1,0,0|2,0,0]=4 158 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [1,0,0,1,0,0|2,0,0]=4 159 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [1,0,0,1,0,0|2,0,0]=4 160 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [1,0,0,1,0,0|2,0,0]=4 161 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [1,0,0,1,0,0|2,0,0]=4 162 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [1,0,0,1,0,0|2,0,0]=4 163 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [1,0,0,1,0,0|2,0,0]=4 164 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [1,0,0,1,0,0|1,0,1]=4 165 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [1,0,0,1,0,0|1,0,0]=3 166 B11R1.143 CC(=O)N1CCCOCC1C Z1478811949 [1,0,0,1,0,0|2,0,0]=4 167 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [1,0,0,1,0,0|2,0,0]=4 168 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [1,0,0,1,0,0|2,0,0]=4 169 B11R1.172 CC(=O)NCCC1CCCC1 Z318202282 [1,0,0,1,0,0|1,0,0]=3 170 B11R1.172 O=C(O)CCCC1CCCC1 Z1209411148 [1,0,0,1,0,0|1,0,0]=3 171 B11R1.172 O=C(O)CCCN1CCCC1 Z763029994 [1,0,0,1,0,0|2,0,0]=4 172 B11R1.172 O=C(O)CCNC1CCCC1 Z910841990 [1,0,0,1,0,0|2,0,0]=4 173 B11R1.172 O=C(O)CCSC1CCCC1 Z102926388 [1,0,0,1,0,0|2,0,0]=4 174 B11R1.172 O=C(O)COCC1CCCC1 Z1255418412 [1,0,0,1,0,0|2,0,0]=4 175 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [1,0,0,1,0,0|1,0,0]=3 176 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [1,0,0,1,0,0|2,0,0]=4 177 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [1,0,0,1,0,0|2,0,0]=4 178 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [1,0,0,1,0,0|1,0,0]=3 179 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [1,0,0,1,0,0|2,0,0]=4 180 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [1,0,0,1,0,0|1,0,0]=3 181 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [1,0,0,1,0,0|1,0,0]=3 182 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [1,0,0,1,0,0|1,0,0]=3 183 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [1,0,0,1,0,0|2,0,0]=4 184 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [1,0,0,1,0,0|1,0,0]=3 185 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [1,0,0,1,0,0|2,0,0]=4 186 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [1,0,0,1,0,0|2,0,0]=4 187 B11R1.5 COCC1CCCCNC1=O Z1650040301 [1,0,0,1,0,0|2,0,0]=4 188 B11R1.5 O=C1CCCCCN1CCO Z425794504 [1,0,0,1,0,0|2,0,0]=4 189 B11R1.17 CCCCC1NCCNC1=O Z978935228 [1,0,0,1,0,0|2,0,0]=4 190 B11R1.17 CNCCC1CCCCN1C Z138106256 [1,0,0,1,0,0|2,0,0]=4 191 B11R1.17 O=C1CCCCN1CCCO Z425794956 [1,0,0,1,0,0|2,0,0]=4 192 B11R1.28 CCCCCC1CCCCN1 Z1082216934 [1,0,0,1,0,0|1,0,1]=4 193 B11R1.28 CCCCNC1CCCCC1 Z2218556189 [1,0,0,1,0,0|1,0,1]=4 194 B11R1.28 CCCNCC1CCCCC1 Z57170999 [1,0,0,1,0,0|1,0,1]=4 195 B11R1.28 COCCNC1CCCCC1 Z90501874 [1,0,0,1,0,0|2,0,0]=4 196 B11R1.117 CNCC1CCCCCCC1 Z1258570420 [1,0,0,1,0,0|1,0,0]=3 197 B11R1.180 COCCNC1CCCC1C Z1118527884 [1,0,0,1,0,0|2,0,0]=4 198 B11R1.203 COCCC1CCCCNC1 Z1682072349 [1,0,0,1,0,0|2,0,0]=4 199 B13R1.27 CCCCCCCC1CCC(=O)O1 Z90120148 [0,1,0,1,0,0|1,0,0]=3 200 B13R1.201 CC1CCCCC1N(C)CC(=O)N Z324764976 [0,1,0,1,0,0|2,0,0]=4 201 B13R1.348 CN(CC(=O)N)CC1CCCCC1 Z295855514 [0,1,0,1,0,0|2,0,0]=4 202 B13R1.7456 CC(=O)CC(=O)N1CCCCCC1 Z285671838 [0,1,0,1,0,0|1,0,1]=4 203 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Z3013901756 [0,1,0,1,0,0|1,0,0]=3 204 B13R1.337 CC(=O)NCCCN1CCNCC1 Z1455699538 [0,1,0,1,0,0|2,0,0]=4 205 B13R1.337 CN(C)CCCNC1CCCCC1 Z90512488 [0,1,0,1,0,0|2,0,0]=4 206 B13R1.337 CN(C)CCNCC1CCCCC1 Z1259341092 [0,1,0,1,0,0|2,0,0]=4 207 B13R1.337 NC(=O)CNCCC1CCCCC1 Z234895885 [0,1,0,1,0,0|1,0,0]=3 208 B13R1.337 O=C(O)CCCCN1CCCCC1 Z1270387209 [0,1,0,1,0,0|1,0,0]=3 209 B13R1.337 O=C(O)CCCCN1CCOCC1 Z362634334 [0,1,0,1,0,0|2,0,0]=4 210 B13R1.622 CCC1CCCCC1NS(=O)(=O)C Z401483532 [0,1,0,1,0,0|2,0,0]=4 211 B13R1.2904 CS(=O)(=O)NCCCC1CCCC1 Z319888734 [0,1,0,1,0,0|2,0,0]=4 212 B13R1.6279 CS(=O)(=O)NC1CCCCCCC1 Z53825507 [0,1,0,1,0,0|2,0,0]=4 213 B13R1.513 CC(=O)NCCC1CCN(CC1)C Z985565284 [0,1,0,1,0,0|2,0,0]=4 214 B13R1.513 NC1CCN(CC1)CCCC(=O)O Z1683068026 [0,1,0,1,0,0|2,0,0]=4 215 B13R1.658 CCCCCC1NC(CS1)C(=O)O Z362825440 [0,1,0,1,0,0|2,0,0]=4 216 B13R1.1988 CC(=O)NCCN1CCCCCC1 Z4913683373 [0,1,0,1,0,0|1,0,0]=3 217 B13R1.3787 CC1CCCC(N1CCC(=O)O)C Z1465342223 [0,1,0,1,0,0|2,0,0]=4 218 B13R1.90 CCC1CCCCC1OCC(=O)O Z316259164 [0,1,0,1,0,0|1,0,0]=3 219 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [0,1,0,1,0,0|1,0,0]=3 220 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [0,1,0,1,0,0|0,0,0]=2 221 B13R1.343 NC(=O)CNCCCN1CCCC1 Z106862696 [0,1,0,1,0,0|2,0,0]=4 222 B13R1.380 CCSC1CCCCC1NC(=O)C Z1348988609 [0,1,0,1,0,0|1,0,0]=3 223 B13R1.380 O=C(O)CN1CCCCC1CCO Z359352610 [0,1,0,1,0,0|2,0,0]=4 224 B13R1.572 CCCCN1CCCCC1C(=O)O Z1665192314 [0,1,0,1,0,0|1,0,0]=3 225 B13R1.572 CCCCN1CCOCC1C(=O)O Z1762997267 [0,1,0,1,0,0|2,0,0]=4 226 B13R1.659 CCCCCCCCCCC1CO1 Z1255485282 [0,1,0,1,0,0|0,0,2]=4 227 B13R1.91 CCN1CCOCC1CC(=O)NC Z3666116675 [0,1,0,1,0,0|2,0,0]=4 228 B13R1.382 CNC(=O)N1CCCCC1CCN Z2418414303 [0,1,0,1,0,0|2,0,0]=4 229 B13R1.536 COC(=O)CCNCC1CCCO1 Z53116378 [0,1,0,1,0,0|2,0,0]=4 230 B13R1.546 COC(=O)C1CCCCCCC1N Z1413780422 [0,1,0,1,0,0|1,0,0]=3 231 B13R1.718 CCC(=O)NCCN1CCCCC1 Z422647640 [0,1,0,1,0,0|2,0,0]=4 232 B13R1.718 CNC(=O)CCOC1CCNCC1 Z1346385349 [0,1,0,1,0,0|2,0,0]=4 233 B13R1.718 COC(=O)CCCN1CCNCC1 Z415713990 [0,1,0,1,0,0|2,0,0]=4 234 B13R1.718 COC(=O)COCC1CCNCC1 Z3571158699 [0,1,0,1,0,0|2,0,0]=4 235 B13R1.718 O=C(CCl)NCCC1CCCCC1 Z561406170 [0,1,0,1,0,0|1,0,0]=3 236 B13R1.1689 C=CC(=O)N1CCCCCCCC1 Z2757417330 [0,1,0,1,0,0|1,0,1]=4 237 B13R1.1711 CNC(=O)CCN1CCCSCC1 Z1535581716 [0,1,0,1,0,0|2,0,0]=4 238 B13R1.1711 COC(=O)CCC1CCCCNC1 Z5174570295 [0,1,0,1,0,0|1,0,0]=3 239 B13R1.1711 NNC(=O)CCN1CCCCCC1 Z56974905 [0,1,0,1,0,0|2,0,0]=4 240 B13R1.1870 C=CC(=O)NC1CCCCCCC1 Z440633942 [0,1,0,1,0,0|1,0,1]=4 241 B13R1.1870 CNC(=S)NC1CCCCCCC1 Z45829014 [0,1,0,1,0,0|1,1,0]=4 242 B13R1.1870 COC(=O)CN1CCCCCCC1 Z168934334 [0,1,0,1,0,0|1,0,0]=3 243 B13R1.1870 O=C(CCl)NC1CCCCCCC1 Z56869439 [0,1,0,1,0,0|1,0,0]=3 244 B13R1.6192 CC(OC1CCCCCC1)C(=O)O Z756083816 [0,1,0,1,0,0|2,0,0]=4 245 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O Z1762997304 [0,1,0,1,0,0|1,0,0]=3 246 B13R1.45 CN(CCC(=O)O)C1CCCCC1 Z1465342168 [0,1,0,1,0,0|2,0,0]=4 247 B13R1.344 CC(=O)NCC(C)CN1CCCC1 Z737654020 [0,1,0,1,0,0|2,0,0]=4 248 B13R1.589 CC(C)CN1CCCCC1C(=O)O Z228589138 [0,1,0,1,0,0|2,0,0]=4 249 B13R1.3576 CC(C)CCN1CCCC1C(=O)O Z355425702 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.10 O=C1CC(CN1)C2CCCCC2 Z1270255885 [0,0,0,2,0,0|1,0,0]=3 251 B13R2.10 O=C1CC(CN1)C2CCCNC2 Z1695709192 [0,0,0,2,0,0|2,0,0]=4 252 B13R2.10 O=C1CC(CN1)C2CCNCC2 Z1695709190 [0,0,0,2,0,0|2,0,0]=4 253 B13R2.13132 O=C1CC2(CCCCCC2)CN1 Z1198235317 [0,0,0,2,0,0|1,0,0]=3 254 B13R2.13132 O=C1CC2(CCCNCC2)CN1 Z3327942380 [0,0,0,2,0,0|2,0,0]=4 255 B13R2.11128 NC1CCCC2(C1)CCCCC2 Z3461947711 [0,0,0,2,0,0|1,0,1]=4 256 B13R2.11128 O=C1CCOC2(C1)CCNCC2 Z3023573101 [0,0,0,2,0,0|2,0,0]=4 257 B13R2.72 O=C(O)C1CCC2N1CCCC2 Z2668441328 [0,0,0,2,0,0|2,0,0]=4 258 B13R2.72 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CCCC2 Z3219251975 [0,0,0,2,0,0|2,0,0]=4 259 B13R2.163 O=C1CCCC2CCCCC2N1 Z1509158921 [0,0,0,2,0,0|1,0,0]=3 260 B13R2.163 O=C1CCC[C@@H]2NCCC[C@H]2N1 Z4656794143 [0,0,0,2,0,0|2,0,0]=4 261 B13R2.244 N[C@@H]1[C@H]([C@@H]2[C@H]1CCCC2)C(=O)O Z3800861457 [0,0,0,2,0,0|2,0,0]=4 262 B13R2.1287 O=C(O)CC1CN2CCC1CC2 Z3220041516 [0,0,0,2,0,0|2,0,0]=4 263 B13R2.430 O=C(O)C1CCC2CCCC2N1 Z4173240706 [0,0,0,2,0,0|2,0,0]=4 264 B13R2.430 O=C(O)C1CCC2CCNC2C1 Z2064723018 [0,0,0,2,0,0|2,0,0]=4 265 B13R2.430 O=C(O)C1CCN2CCCC2C1 Z4464852512 [0,0,0,2,0,0|2,0,0]=4 266 B13R2.430 O=C(O)[C@@H]1CC[C@@H]2NCC[C@@H]2C1 Z4667967355 [0,0,0,2,0,0|2,0,0]=4 267 B13R2.430 O=C(O)[C@@H]1CC[C@H]2CCN[C@H]2C1 Z5057505666 [0,0,0,2,0,0|2,0,0]=4 268 B13R2.435 NC(=O)C1CC2CCCCC2N1 Z317075546 [0,0,0,2,0,0|2,0,0]=4 269 B13R2.435 O=C(O)C1CC2CCCCC2N1 Z104507234 [0,0,0,2,0,0|2,0,0]=4 270 B13R2.435 O=C(O)C1CC2CCCCN2C1 Z1318356927 [0,0,0,2,0,0|2,0,0]=4 271 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 Z169856808 [0,0,0,2,0,0|2,0,0]=4 272 B13R2.4742 NC1CC2CCC1CC2C(=O)O Z4421886310 [0,0,0,2,0,0|2,0,0]=4 273 B13R2.13972 O=C(O)[C@@H]1C[C@H]2[C@@H]1CCCCC2 Z3486445533 [0,0,0,2,0,0|1,0,0]=3 274 B13R2.423 O=C(O)C1CC1C2CCCCC2 Z975822978 [0,0,0,2,0,0|1,0,0]=3 275 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCNCC2 Z3064051067 [0,0,0,2,0,0|2,0,0]=4 276 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCOCC2 Z2737465051 [0,0,0,2,0,0|2,0,0]=4 277 B13R2.437 O=C(O)C1CCC12CCOCC2 Z2572597008 [0,0,0,2,0,0|2,0,0]=4 278 B13R2.35 O=C(O)C1CNCC12CCCC2 Z2692249215 [0,0,0,2,0,0|2,0,0]=4 279 B13R2.432 O=C(O)C1CCN1C2CCCC2 Z1255450742 [0,0,0,2,0,0|2,0,0]=4 280 B13R2.5569 CC(=O)N1CCC[C@H]2[C@@H]1COC2 Z2580762716 [0,0,0,2,0,0|2,0,0]=4 281 B13R2.5569 O=C(O)[C@@H]1CCC[C@@H]2[C@H]1CCN2 Z4608612461 [0,0,0,2,0,0|2,0,0]=4 282 B13R2.11149 O=C1CCOCC2(N1)CCCC2 Z3067316165 [0,0,0,2,0,0|2,0,0]=4 283 B13R2.1300 O=C(O)CC1CCNC12CCC2 Z4271183270 [0,0,0,2,0,0|2,0,0]=4 284 B13R2.5584 O=C(O)C1CCCCC12CCC2 Z3242951949 [0,0,0,2,0,0|1,0,0]=3 285 B13R2.5584 O=C(O)C1CNCCC12CCC2 Z3328004254 [0,0,0,2,0,0|2,0,0]=4 286 B13R2.5509 O=C(O)C1CC2CCC1CNC2 Z3771620164 [0,0,0,2,0,0|2,0,0]=4 287 B13R2.5509 O=C(O)C1CC2CCCC1CC2 Z1262522809 [0,0,0,2,0,0|1,0,0]=3 288 B13R2.5509 O=C(O)C1CN2CCCC1CC2 Z5211069993 [0,0,0,2,0,0|2,0,0]=4 289 B13R2.13663 O=C(O)[C@@]12CCCC[C@@H]1NCC2 Z3463098982 [0,0,0,2,0,0|2,0,0]=4 290 B13R2.13779 O=C(O)C1C2CCCC1CNC2 Z1020801212 [0,0,0,2,0,0|2,0,0]=4 291 B13R2.14125 O=C(O)CC12CCCN1CCC2 Z1741972988 [0,0,0,2,0,0|2,0,0]=4 292 B13R2.13776 O=C(O)C1C2C1CCCCCC2 Z1255442948 [0,0,0,2,0,0|1,0,0]=3