0 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 CCCCCCCCCC(C)N 3731AD [0,0,0,0,0,0|2,0,1]=3 2 B11R0.148 CCCCCCCCCC(C)O 5913AF [0,0,0,0,0,0|1,0,1]=2 3 B11R0.148 CCCCCCCCNC(N)=S 3781AD [0,0,0,0,0,0|2,1,0]=3 4 B11R0.148 CCCCCCC\C=C\B(O)O N975 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,0,0,0,0,0|0,0,2]=2 6 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,0,0,0,0,0|0,0,2]=2 7 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,0,0,0,0,0|2,0,0]=2 8 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,0,0,0,0,0|4,0,0]=4 9 B11R0.148 NCCOCCOCCC(=O)O Y1762 [0,0,0,0,0,0|3,0,0]=3 10 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,0,0,0,0,0|1,0,0]=1 11 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [1,0,0,0,0,0|1,0,0]=2 12 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [1,0,0,0,0,0|0,0,1]=2 13 B10R0.4 CCCCCCCCC(C)C Z5044 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.4 CCCCCCCCC(C)O 5773AF [1,0,0,0,0,0|1,0,1]=3 15 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [1,0,0,0,0,0|2,0,0]=3 16 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [1,0,0,0,0,0|1,0,2]=4 17 B10R0.4 O=C(O)COCCOCCO X3816 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 9854AE [1,0,0,0,0,0|3,0,0]=4 19 B10R0.71 CCCCCCCC#CCO V0616 [1,0,0,0,0,0|0,0,3]=4 20 B10R0.71 CCCCCCCCCCC U203 [1,0,0,0,0,0|1,0,1]=3 21 B10R0.71 CCCCCCCCNC=O 8620AL [1,0,0,0,0,0|1,0,0]=2 22 B10R0.71 CCCCCNCCCCC 7593AL [1,0,0,0,0,0|2,0,1]=4 23 B10R0.71 CCCCCSCCCCC 5783AF [1,0,0,0,0,0|2,0,1]=4 24 B10R0.71 CCCCC\C=C/CCCO 7446AL [1,0,0,0,0,0|0,0,3]=4 25 B10R0.71 CCCC\C=C\CCCCO 9236AL [1,0,0,0,0,0|0,0,3]=4 26 B10R0.71 ClCCCCCCCCCCl Z5156 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.71 OCCCCCCCCCCl 7136AB [1,0,0,0,0,0|1,0,1]=3 28 B10R0.71 OCCCCNCCCCO 2416AC [1,0,0,0,0,0|2,0,1]=4 29 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] 7693AH [0,1,0,0,0,0|1,0,1]=3 30 B12R0.119 CCCCCCCCC[N+](C)(C)C 8647AL [0,1,0,0,0,0|3,0,0]=4 31 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] 6952AA [0,1,0,0,0,0|2,0,1]=4 32 B12R0.234 CCCCCCCCCCC(C)O 5599AL [0,1,0,0,0,0|1,0,1]=3 33 B12R0.234 CCCCCCCCCOC(C)=O 5905AF [0,1,0,0,0,0|1,0,0]=2 34 B12R0.234 CCCCCCCCOCC(=O)O 9714AB [0,1,0,0,0,0|0,0,0]=1 35 B12R0.234 CC\C=C/CCCCCOC(C)=O 6988AL [0,1,0,0,0,0|1,0,2]=4 36 B12R0.248 COC(=O)CCCCCCCCO Y1474 [0,1,0,0,0,0|1,0,0]=2 37 B12R0.248 OCCCCCCCCC(O)CO 4382AL [0,1,0,0,0,0|1,0,2]=4 38 B12R0.277 CCOC(=O)CCCCCC(=O)O 7877AL [0,1,0,0,0,0|1,0,1]=3 39 B12R1.28 CCCCOC1=CC(=O)CCC1 5295AD [0,0,0,1,0,0|2,0,1]=4 40 B12R1.130 O=C(O)CCCN1CCCC1=O 7913AE [0,0,0,1,0,0|2,0,1]=4 41 B12R1.252 O=C(O)CCCC1CCNCC1 W8719 [0,0,0,1,0,0|1,0,0]=2 42 B12R1.255 NC(=O)CCCCC1CCSS1 M957 [0,0,0,1,0,0|3,0,0]=4 43 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 O217 [0,0,0,1,0,0|2,0,0]=3 44 B9R0.2 CCCCCCCB(O)O Y5025 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.2 CCCCCCCC(N)=O 7980AF [2,0,0,0,0,0|1,0,0]=3 46 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [2,0,0,0,0,0|0,0,0]=2 47 B9R0.2 CCCCCCOC(C)=O 7968AF [2,0,0,0,0,0|2,0,0]=4 48 B9R0.2 COCCOCCC(=O)O X3859 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.2 NCCCCCCC(=O)O X4768 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.45 C#CCCCCCCCO X5979 [2,0,0,0,0,0|0,0,2]=4 51 B9R0.45 C=CCCCCCCCCl 1177AF [2,0,0,0,0,0|1,0,1]=4 52 B9R0.45 C=CCCCCCCCO 6910AL [2,0,0,0,0,0|0,0,2]=4 53 B9R0.45 CCCCCC#CCCO V0610 [2,0,0,0,0,0|0,0,2]=4 54 B9R0.45 CCCCCCC#CCO V0621 [2,0,0,0,0,0|0,0,2]=4 55 B9R0.45 CCCCCCCCC#N 8127AF [2,0,0,0,0,0|1,0,1]=4 56 B9R0.45 CCCCCCCCCS Q791 [2,0,0,0,0,0|0,1,0]=3 57 B9R0.45 CCCCCC\C=C/CO 7426AL [2,0,0,0,0,0|0,0,2]=4 58 B9R0.45 CCCCC\C=C/CCO 7441AL [2,0,0,0,0,0|0,0,2]=4 59 B9R0.45 ICCCCCCCCI 4683AL [2,0,0,0,0,0|2,0,0]=4 60 B9R0.45 OCCCCCCCCCl Q040 [2,0,0,0,0,0|1,0,0]=3 61 B9R0.45 SCCCCCCCCS 7639AJ [2,0,0,0,0,0|1,1,0]=4 62 B11R0.30 CC(=O)NCCCCCC(=O)O R631 [1,1,0,0,0,0|1,0,1]=4 63 B11R0.40 CCCCCCCCC(=O)CC 6166AL [1,1,0,0,0,0|1,0,0]=3 64 B11R0.40 CCCCCCCCC(O)CO V2424 [1,1,0,0,0,0|0,0,2]=4 65 B11R0.3 C#CCCCCCCCCCO E596 [1,1,0,0,0,0|0,0,2]=4 66 B11R0.3 C=CCCCCCCCCC=C 4349AL [1,1,0,0,0,0|1,0,1]=4 67 B11R0.3 CCCCCCCCCCC#N 5901AF [1,1,0,0,0,0|1,0,1]=4 68 B11R0.3 CCCCCCCCNCCN 5469AB [1,1,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCOCCO 4872AH [1,1,0,0,0,0|0,0,1]=3 70 B11R0.81 CCCCCCC(O)CCCC 6821AL [1,1,0,0,0,0|1,0,1]=4 71 B13R0.54 CCCCCCCCCCCC(C)O 5802AL [0,2,0,0,0,0|1,0,1]=4 72 B13R0.54 CCCCCCCCCCCC(N)=O 6046AF [0,2,0,0,0,0|1,0,0]=3 73 B13R0.54 CCCCCCCCC\C=C\C(=O)O 6027AF [0,2,0,0,0,0|0,0,0]=2 74 B13R0.147 C=CCCCCCCCCC(=O)NN 5375AE [0,2,0,0,0,0|1,0,1]=4 75 B13R0.147 CCCCCCCCC#CC(=O)OC 5807AL [0,2,0,0,0,0|0,0,1]=3 76 B13R0.147 COC(=O)CCCCCCCCC=O 8237AL [0,2,0,0,0,0|0,0,1]=3 77 B13R0.154 CCCCCCCC(=O)NCC(=O)O 9356AF [0,2,0,0,0,0|0,0,1]=3 78 B13R0.2 CCOC(=O)CCCCCCCCBr 7869AL [0,2,0,0,0,0|1,0,0]=3 79 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O 1761AH [0,2,0,0,0,0|1,0,1]=4 80 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [1,0,0,1,0,0|2,0,0]=4 81 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [1,0,0,1,0,0|2,0,0]=4 82 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [1,0,0,1,0,0|1,0,0]=3 83 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [1,0,0,1,0,0|1,0,0]=3 84 B11R1.91 O=C(O)CCN1CCNCC1 2553AB [1,0,0,1,0,0|2,0,0]=4 85 B11R1.91 O=C(O)CCN1CCOCC1 X3841 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.91 O=C(O)CCN1CCOCC1 Z6260 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [1,0,0,1,0,0|1,0,0]=3 88 B11R1.172 O=C(O)COCC1CCCO1 0776AF [1,0,0,1,0,0|2,0,0]=4 89 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [1,0,0,1,0,0|1,0,0]=3 90 B11R1.28 BrCCCCC1CCCCC1 4295AH [1,0,0,1,0,0|1,0,1]=4 91 B11R1.28 OCCCCC1CCNCC1 V6728 [1,0,0,1,0,0|1,0,1]=4 92 B11R1.117 NCCC1CCCCCCC1 5035AH [1,0,0,1,0,0|1,0,1]=4 93 B11R1.180 CCCCCC1=CCCC1=O 5777AL [1,0,0,1,0,0|0,0,2]=4 94 B11R1.180 CCCCCC1CCCC1=O 6603AB [1,0,0,1,0,0|0,0,0]=2 95 B13R1.190 CCCCCCC1OC(=O)CC1C 0426AC [0,1,0,1,0,0|0,0,0]=2 96 B13R1.513 CN1CCN(CCCC(=O)O)CC1 5973AJ [0,1,0,1,0,0|2,0,0]=4 97 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O 8898AC [0,1,0,1,0,0|1,0,1]=4 98 B13R1.280 O=C(O)CCN1CCCCCC1=O 4438AE [0,1,0,1,0,0|1,0,1]=4 99 B13R1.1870 O=C(CCl)NC1CCCCCCC1 2003AE [0,1,0,1,0,0|2,0,0]=4 100 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 7463AC [0,1,0,1,0,0|1,0,1]=4 101 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 4040AE [0,1,0,1,0,0|1,0,1]=4 102 B13R1.344 O=C(O)CCC(=O)NC1CCCC1 5274AE [0,1,0,1,0,0|1,0,1]=4 103 B13R1.589 CC(=O)N1CCCCC1CC(=O)O 5037AJ [0,1,0,1,0,0|1,0,1]=4 104 B13R2.13132 O=C1CC2(CCCCCC2)CN1 3875AD [0,0,0,2,0,0|2,0,0]=4 105 B13R2.435 O=C(O)C1CC2CCCCC2N1 M788 [0,0,0,2,0,0|1,0,0]=3 106 B13R2.435 O=C(O)[C@@H]1CC2CCCCC2N1 9723AA [0,0,0,2,0,0|1,0,0]=3 107 B13R2.435 [C@@H]12CCCCC1N[C@H](C(=O)O)C2 X4036 [0,0,0,2,0,0|1,0,0]=3