0 B10R0.4 CC(C)CCCCCCCO 0582AC [0,0,0,0,0,0|3,0,1]=4 1 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,0,0,0,0,0|1,0,0]=1 2 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,0,0,0,0,0|0,0,1]=1 3 B10R0.4 CCCCCCCCC(C)C Z5044 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.4 CCCCCCCCC(C)O 5773AF [0,0,0,0,0,0|1,0,1]=2 5 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,0,0,0,0,0|2,0,0]=2 6 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,0,0,0,0,0|1,0,2]=3 7 B10R0.4 O=C(O)COCCOCCO X3816 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 9854AE [0,0,0,0,0,0|3,0,0]=3 9 B9R0.2 CCCCCCCB(O)O Y5025 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.2 CCCCCCCC(C)C 5737AL [1,0,0,0,0,0|2,0,1]=4 11 B9R0.2 CCCCCCCC(N)=O 7980AF [1,0,0,0,0,0|1,0,0]=2 12 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [1,0,0,0,0,0|0,0,0]=1 13 B9R0.2 CCCCCCOC(C)=O 7968AF [1,0,0,0,0,0|2,0,0]=3 14 B9R0.2 COCCOCCC(=O)O X3859 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.2 NCCCCCCC(=O)O X4768 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 C#CCCCCCCCO X5979 [1,0,0,0,0,0|0,0,3]=4 17 B9R0.45 C=CCCCCCCCCl 1177AF [1,0,0,0,0,0|2,0,0]=3 18 B9R0.45 C=CCCCCCCCO 6910AL [1,0,0,0,0,0|2,0,0]=3 19 B9R0.45 CCCCCC#CCCO V0610 [1,0,0,0,0,0|0,0,3]=4 20 B9R0.45 CCCCCCC#CCO V0621 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCCCCCCC#N 8127AF [1,0,0,0,0,0|1,0,1]=3 22 B9R0.45 CCCCCCCCCS Q791 [1,0,0,0,0,0|0,1,1]=3 23 B9R0.45 CCCCCC\C=C/CO 7426AL [1,0,0,0,0,0|0,0,3]=4 24 B9R0.45 CCCCC\C=C/CCO 7441AL [1,0,0,0,0,0|0,0,3]=4 25 B9R0.45 CNCCCCCCNC 5618AA [1,0,0,0,0,0|3,0,0]=4 26 B9R0.45 ICCCCCCCCI 4683AL [1,0,0,0,0,0|2,0,1]=4 27 B9R0.45 OCCCCCCCCCl Q040 [1,0,0,0,0,0|1,0,1]=3 28 B9R0.45 SCCCCCCCCS 7639AJ [1,0,0,0,0,0|1,1,1]=4 29 B11R0.30 CC(=O)NCCCCCC(=O)O R631 [0,1,0,0,0,0|1,0,1]=3 30 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,1,0,0,0,0|1,0,0]=2 31 B11R0.40 CCCCCCCCC(O)CO V2424 [0,1,0,0,0,0|0,0,2]=3 32 B11R0.40 OCCCCCCCC(O)CO 4416AL [0,1,0,0,0,0|1,0,2]=4 33 B11R0.42 C=CCCCCO[C@H](C)C(=O)O 4146AA [0,1,0,0,0,0|1,0,2]=4 34 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [0,1,0,0,0,0|0,0,1]=2 35 B11R0.148 CCCCCCCCCC(C)N 3731AD [0,1,0,0,0,0|2,0,1]=4 36 B11R0.148 CCCCCCCCCC(C)O 5913AF [0,1,0,0,0,0|1,0,1]=3 37 B11R0.148 CCCCCCCCNC(N)=S 3781AD [0,1,0,0,0,0|1,1,0]=3 38 B11R0.148 CCCCCCC\C=C\B(O)O N975 [0,1,0,0,0,0|1,0,2]=4 39 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,1,0,0,0,0|0,0,1]=2 40 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,1,0,0,0,0|0,0,1]=2 41 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,1,0,0,0,0|1,0,0]=2 42 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,1,0,0,0,0|3,0,0]=4 43 B11R0.148 NCCOCCOCCC(=O)O Y1762 [0,1,0,0,0,0|2,0,0]=3 44 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,1,0,0,0,0|0,0,0]=1 45 B11R0.159 CCCCCCCC[Si](Cl)(Cl)Cl 8939AJ [0,1,0,0,0,0|2,1,0]=4 46 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,0,0,1,0,0|2,0,0]=3 47 B11R1.91 CC(=O)NCC1CCCNC1 2720AF [0,0,0,1,0,0|3,0,0]=4 48 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [0,0,0,1,0,0|2,0,0]=3 49 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,0,0,1,0,0|1,0,0]=2 50 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,0,0,1,0,0|1,0,0]=2 51 B11R1.91 O=C(O)CCN1CCNCC1 2553AB [0,0,0,1,0,0|2,0,0]=3 52 B11R1.91 O=C(O)CCN1CCOCC1 X3841 [0,0,0,1,0,0|2,0,0]=3 53 B11R1.91 O=C(O)CCN1CCOCC1 Z6260 [0,0,0,1,0,0|2,0,0]=3 54 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [0,0,0,1,0,0|1,0,0]=2 55 B11R1.172 O=C(O)COCC1CCCO1 0776AF [0,0,0,1,0,0|2,0,0]=3 56 B11R1.193 C=CCN1CCC[C@H]1C(=O)O Z5692 [0,0,0,1,0,0|1,0,2]=4 57 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,0,0,1,0,0|1,0,0]=2 58 B8R0.4 CCCCCCCCF V6056 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.4 CCCCCCON=O 8053AL [2,0,0,0,0,0|2,0,0]=4 60 B8R0.4 CCCCCOCCO 6511AH [2,0,0,0,0,0|1,0,0]=3 61 B8R0.4 CCCCNCCCC W7485 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.4 CCCCOCCCN P793 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.4 CCCC\C=C/CCO 7442AL [2,0,0,0,0,0|0,0,2]=4 64 B8R0.4 CC\C=C/CCCCO 7454AL [2,0,0,0,0,0|0,0,2]=4 65 B8R0.4 ClCCCCCCCBr 4782AL [2,0,0,0,0,0|2,0,0]=4 66 B8R0.7 CCCCCCC(=O)[O-] 7832AL [2,0,0,0,0,0|0,0,1]=3 67 B8R0.7 CCCCCCC(C)O Z6063 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.7 NC(=O)CCCCCBr 8542AB [2,0,0,0,0,0|2,0,0]=4 69 B8R0.7 NCCCCCC(=O)O 5982AB [2,0,0,0,0,0|1,0,0]=3 70 B8R0.7 NCCCNCC(=O)O 8332AL [2,0,0,0,0,0|2,0,0]=4 71 B8R0.7 O=C(Cl)CCCCCBr 5957AH [2,0,0,0,0,0|2,0,0]=4 72 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [1,1,0,0,0,0|0,0,1]=3 73 B10R0.22 CCCCCCCS(=O)(=O)[O-] 0617AB [1,1,0,0,0,0|1,0,1]=4 74 B10R0.74 C=CC(O)CCCCCCC U552 [1,1,0,0,0,0|1,0,1]=4 75 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [1,1,0,0,0,0|0,0,1]=3 76 B10R0.74 CCCCCCCC(O)CC 6031AL [1,1,0,0,0,0|1,0,1]=4 77 B10R0.74 CCCCCCCC(O)CO 4474AL [1,1,0,0,0,0|0,0,2]=4 78 B10R0.74 COC(=O)CCCCCCBr W6840 [1,1,0,0,0,0|1,0,0]=3 79 B10R0.74 COC(=O)CCCCCCN W3908 [1,1,0,0,0,0|1,0,0]=3 80 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [1,1,0,0,0,0|0,0,0]=2 81 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [1,1,0,0,0,0|0,0,0]=2 82 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [1,1,0,0,0,0|1,0,0]=3 83 B10R0.97 CC(=O)CCCCCC(=O)O X3704 [1,1,0,0,0,0|0,0,1]=3 84 B10R0.71 CCCCCCCC#CCO V0616 [1,1,0,0,0,0|0,0,2]=4 85 B10R0.71 CCCCCCCCCCC U203 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.71 CCCCCCCCNC=O 8620AL [1,1,0,0,0,0|0,0,0]=2 87 B10R0.71 CCCCCNCCCCC 7593AL [1,1,0,0,0,0|1,0,1]=4 88 B10R0.71 CCCCCSCCCCC 5783AF [1,1,0,0,0,0|1,0,1]=4 89 B10R0.71 CCCCC\C=C/CCCO 7446AL [1,1,0,0,0,0|0,0,2]=4 90 B10R0.71 CCCC\C=C\CCCCO 9236AL [1,1,0,0,0,0|0,0,2]=4 91 B10R0.71 ClCCCCCCCCCCl Z5156 [1,1,0,0,0,0|1,0,1]=4 92 B10R0.71 OCCCCCCCCCCl 7136AB [1,1,0,0,0,0|0,0,1]=3 93 B10R0.71 OCCCCNCCCCO 2416AC [1,1,0,0,0,0|1,0,1]=4 94 B10R0.91 CCCCCC(O)CCCC 6764AL [1,1,0,0,0,0|1,0,1]=4 95 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O 1837AH [0,2,0,0,0,0|1,0,1]=4 96 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O 0127AB [0,2,0,0,0,0|1,0,1]=4 97 B12R0.184 COC(=O)CCCCCOC(C)=O 6844AL [0,2,0,0,0,0|1,0,1]=4 98 B12R0.57 CCCCCCCCC(OC)OC 4371AL [0,2,0,0,0,0|0,0,2]=4 99 B12R0.248 COC(=O)CCCCCCCCO Y1474 [0,2,0,0,0,0|0,0,0]=2 100 B12R0.248 OCCCCCCCCC(O)CO 4382AL [0,2,0,0,0,0|0,0,2]=4 101 B12R0.277 CCOC(=O)CCCCCC(=O)O 7877AL [0,2,0,0,0,0|0,0,1]=3 102 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] 7693AH [0,2,0,0,0,0|1,0,1]=4 103 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] 6952AA [0,2,0,0,0,0|1,0,1]=4 104 B12R0.234 CCCCCCCCCCC(C)O 5599AL [0,2,0,0,0,0|1,0,1]=4 105 B12R0.234 CCCCCCCCCOC(C)=O 5905AF [0,2,0,0,0,0|1,0,0]=3 106 B12R0.234 CCCCCCCCOCC(=O)O 9714AB [0,2,0,0,0,0|0,0,0]=2 107 B12R0.234 CC\C=C/CCCCCOC(C)=O 6988AL [0,2,0,0,0,0|1,0,1]=4 108 B10R1.10 CCCC1CCCC(=O)O1 R377 [1,0,0,1,0,0|0,0,0]=2 109 B10R1.18 O=C(O)CC1CCCNC1 V7579 [1,0,0,1,0,0|1,0,0]=3 110 B10R1.18 O=C(O)CC1CCCNC1 W8079 [1,0,0,1,0,0|1,0,0]=3 111 B10R1.18 O=C(O)CC1CCNCC1 N549 [1,0,0,1,0,0|1,0,0]=3 112 B10R1.18 O=C(O)CC1CNCCN1 7202AA [1,0,0,1,0,0|2,0,0]=4 113 B10R1.18 O=C(O)CC1CNCCO1 1270AJ [1,0,0,1,0,0|2,0,0]=4 114 B10R1.18 O=C(O)CN1CCCCC1 0202AE [1,0,0,1,0,0|1,0,0]=3 115 B10R1.18 O=C(O)CN1CCOCC1 W9244 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.18 OB(O)CC1CCCCC1 X0676 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.39 CCN1CCC[C@H]1C(N)=O 4174AL [1,0,0,1,0,0|2,0,0]=4 118 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [1,0,0,1,0,0|1,0,0]=3 119 B10R1.66 O=C(O)CCC1OCCO1 Y9117 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.66 O=C(O)CCN1CCCC1 1858AC [1,0,0,1,0,0|1,0,0]=3 121 B10R1.66 O=C(O)COC1CCCC1 5276AJ [1,0,0,1,0,0|1,0,0]=3 122 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|1,0,0]=3 123 B10R1.348 O=C(O)C1CCCCCN1 7360AB [1,0,0,1,0,0|1,0,0]=3 124 B10R1.4 C=CCC1CCCCC1=O 7860AJ [1,0,0,1,0,0|0,0,2]=4 125 B10R1.4 CCCC1CCCCC1O 5770AL [1,0,0,1,0,0|0,0,1]=3 126 B10R1.5 COC[C@@H]1CCCN1C=O 4178AL [1,0,0,1,0,0|2,0,0]=4 127 B10R1.5 COC[C@H]1CCCN1C=O 4136AL [1,0,0,1,0,0|2,0,0]=4 128 B10R1.17 NCCCC1CCCCC1 5332AH [1,0,0,1,0,0|1,0,1]=4 129 B10R1.17 OCCCC1CCNCC1 0904AC [1,0,0,1,0,0|1,0,1]=4 130 B10R1.17 OCCCC1CCNCC1 7796AA [1,0,0,1,0,0|1,0,1]=4 131 B10R1.20 OC[C@@H]1CCCC[C@H]1CO X6176 [1,0,0,1,0,0|1,0,1]=4 132 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [1,0,0,1,0,0|1,0,1]=4 133 B10R1.20 OC[C@H]1CCCC[C@@H]1CO X6158 [1,0,0,1,0,0|1,0,1]=4 134 B10R1.21 CCCNCC1CCCO1 1152AC [1,0,0,1,0,0|1,0,1]=4 135 B10R1.85 NCCC1CCCCCC1 6136AB [1,0,0,1,0,0|1,0,1]=4 136 B12R1.107 NC(CC(=O)O)C1CCCCC1 5467AA [0,1,0,1,0,0|0,0,0]=2 137 B12R1.226 CC1CCCN(CCC(=O)O)C1 0878AF [0,1,0,1,0,0|1,0,0]=3 138 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 9065AH [0,1,0,1,0,0|1,0,1]=4 139 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 9246AH [0,1,0,1,0,0|1,0,1]=4 140 B12R1.1 CCCCCC1CC=C(Br)CC1 Z6636 [0,1,0,1,0,0|2,0,0]=4 141 B12R1.1 CCCCC[C@H]1CC[C@H](O)CC1 9227AL [0,1,0,1,0,0|1,0,1]=4 142 B12R1.77 CCC1CCCCN1C(=O)CCl 9408AE [0,1,0,1,0,0|2,0,0]=4 143 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 X4022 [0,1,0,1,0,0|1,0,0]=3 144 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 5330AH [0,1,0,1,0,0|0,0,0]=2 145 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O 5329AH [0,1,0,1,0,0|0,0,0]=2 146 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O 7619AA [0,1,0,1,0,0|0,0,0]=2 147 B12R1.21 CN1CCC(NCC(=O)O)CC1 0822AF [0,1,0,1,0,0|2,0,0]=4 148 B12R1.252 O=C(O)CCCC1CCNCC1 W8719 [0,1,0,1,0,0|0,0,0]=2 149 B12R1.28 CCCCOC1=CC(=O)CCC1 5295AD [0,1,0,1,0,0|1,0,1]=4 150 B12R1.130 O=C(O)CCCN1CCCC1=O 7913AE [0,1,0,1,0,0|1,0,1]=4 151 B12R1.255 NC(=O)CCCCC1CCSS1 M957 [0,1,0,1,0,0|2,0,0]=4 152 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 O217 [0,1,0,1,0,0|1,0,0]=3 153 B12R2.1081 O[C@H]1CCC[C@@H]2CCCCC12 1428AQ [0,0,0,2,0,0|1,0,1]=4 154 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 3608AC [0,0,0,2,0,0|2,0,0]=4 155 B12R2.2918 O=C1COC2(CCCCC2)O1 5153AL [0,0,0,2,0,0|1,0,0]=3 156 B12R2.2028 [C@@H]12CCCC[C@H]1C(=O)OC2=O 3963AL [0,0,0,2,0,0|1,0,1]=4 157 B12R2.2028 [C@H]12CCCC[C@@H]1C(=O)OC2=O 3943AL [0,0,0,2,0,0|1,0,1]=4 158 B12R2.1154 [C@H]12CCC[C@H](CC(=O)C1)N2C 8056AB [0,0,0,2,0,0|2,0,0]=4