0 B9R0.2 CCCCCCCB(O)O Y5025 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 CCCCCCCC(N)=O 7980AF [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,0,0,0,0,0|0,0,2]=2 3 B9R0.2 CCCCCCOC(C)=O 7968AF [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 COCCOCCC(=O)O X3859 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 NCCCCCCC(=O)O X4768 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.4 CCCCCCON=O 8053AL [1,0,0,0,0,0|2,0,1]=4 7 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|1,0,2]=4 8 B8R0.4 CCCC\C=C/CCO 7442AL [1,0,0,0,0,0|0,0,3]=4 9 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,0,0,0,0,0|0,0,3]=4 10 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 CC(=O)NCCCCN 8335AL [1,0,0,0,0,0|3,0,0]=4 12 B8R0.7 CC(=O)OCCCCBr 7492AF [1,0,0,0,0,0|3,0,0]=4 13 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,0,0,0,0,0|0,0,2]=3 14 B8R0.7 CCCCCCC(C)O Z6063 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,0,0,0,0,0|1,0,0]=2 16 B8R0.7 NC(=O)CCCCCBr 8542AB [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 NCCCCCC(=O)O 5982AB [1,0,0,0,0,0|1,0,1]=3 18 B8R0.7 NCCCNCC(=O)O 8332AL [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 O=C(Cl)CCCCCBr 5957AH [1,0,0,0,0,0|2,0,1]=4 20 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,1,0,0,0,0|0,0,3]=4 21 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,1,0,0,0,0|1,0,2]=4 22 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,1,0,0,0,0|0,0,3]=4 23 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,1,0,0,0,0|1,0,2]=4 24 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,0,0,0,0|1,0,0]=2 25 B10R0.4 O=C(O)COCCOCCO X3816 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [0,1,0,0,0,0|0,0,3]=4 27 B10R0.74 COC(=O)CCCCCCBr W6840 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.74 COC(=O)CCCCCCN W3908 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [0,1,0,0,0,0|0,0,2]=3 30 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [0,1,0,0,0,0|0,0,2]=3 31 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.97 CC(=O)CCCCCC(=O)O X3704 [0,1,0,0,0,0|0,0,3]=4 33 B10R1.10 CCCC1CCCC(=O)O1 R377 [0,0,0,1,0,0|0,0,2]=3 34 B10R1.18 O=C(O)CC1CCCNC1 V7579 [0,0,0,1,0,0|1,0,2]=4 35 B10R1.18 O=C(O)CC1CCCNC1 W8079 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.18 O=C(O)CC1CCNCC1 N549 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.18 O=C(O)CN1CCCCC1 0202AE [0,0,0,1,0,0|1,0,1]=3 38 B10R1.18 O=C(O)CN1CCOCC1 W9244 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.39 CCN1C=NC=C1C(=O)O 1164AC [0,0,0,1,0,0|2,0,1]=4 40 B10R1.39 CCN1N=CC=C1C(=O)O 2565AE [0,0,0,1,0,0|2,0,1]=4 41 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [0,0,0,1,0,0|1,0,2]=4 42 B10R1.66 O=C(O)CCN1CCCC1 1858AC [0,0,0,1,0,0|1,0,2]=4 43 B10R1.66 O=C(O)COC1CCCC1 5276AJ [0,0,0,1,0,0|1,0,1]=3 44 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|1,0,2]=4 45 B10R1.348 O=C(O)C1CCCCCN1 7360AB [0,0,0,1,0,0|1,0,1]=3 46 B7R0.1 CCCCCOC=O 7518AF [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 CC(=O)CCCCCl D718 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 CCCCSC(C)=O 3195AL [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 CCCOCC(=O)O 5344AE [2,0,0,0,0,0|1,0,0]=3 50 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|1,0,0]=3 51 B7R0.4 COCCCC(=O)O 2917AB [2,0,0,0,0,0|1,0,0]=3 52 B7R0.4 N#CCCCC(=O)O W5958 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 NCCCCC(=O)O 9495AB [2,0,0,0,0,0|1,0,0]=3 54 B7R0.4 O=C(O)COCCCl Y5074 [2,0,0,0,0,0|2,0,0]=4 55 B9R0.5 C=COC(=O)CCCCC 7945AF [1,1,0,0,0,0|2,0,0]=4 56 B9R0.45 CCCCCC\C=C/CO 7426AL [1,1,0,0,0,0|0,0,1]=3 57 B9R0.45 CCCCC\C=C/CCO 7441AL [1,1,0,0,0,0|0,0,1]=3 58 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [1,1,0,0,0,0|0,0,2]=4 59 B9R0.1 CCC(C)CCOC(C)=O 6119AL [1,1,0,0,0,0|2,0,0]=4 60 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.47 CCCCCC(N)C(=O)O 2079AA [1,1,0,0,0,0|0,0,1]=3 62 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [1,1,0,0,0,0|0,0,1]=3 63 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [1,1,0,0,0,0|2,0,0]=4 64 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [1,1,0,0,0,0|1,0,1]=4 66 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [1,1,0,0,0,0|1,0,1]=4 67 B9R0.55 CC(C)CCCCC(=O)O 5715AC [1,1,0,0,0,0|0,0,1]=3 68 B9R0.55 CN(C)CCCCC(=O)O 6277AJ [1,1,0,0,0,0|1,0,1]=4 69 B11R0.148 C=CCCCCCCCC(=O)O Z6188 [0,2,0,0,0,0|0,0,2]=4 70 B11R0.148 CCCCCCC\C=C\B(O)O N975 [0,2,0,0,0,0|1,0,1]=4 71 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,2,0,0,0,0|0,0,0]=2 72 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|0,0,0]=2 73 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,2,0,0,0,0|0,0,2]=4 74 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,2,0,0,0,0|0,0,2]=4 75 B11R0.4 CCCCC\C=C\C(=O)OCC 7895AL [0,2,0,0,0,0|0,0,0]=2 76 B9R1.12 CCCCC1=CC=CS1 Z5462 [1,0,0,1,0,0|0,1,1]=4 77 B9R1.12 CCCCN1C=CC=N1 Z0656 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.12 CCOCC1=CC=CO1 Z4965 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.12 N#C\C=C\C1CCCC1 X5531 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.12 O=CCCC1CCCC1 5333AH [1,0,0,1,0,0|0,0,2]=4 81 B9R1.89 ON=C1CCCCCC1 7507AL [1,0,0,1,0,0|1,0,1]=4 82 B9R1.2 CCC1CCCC(=O)C1 7677AD [1,0,0,1,0,0|1,0,1]=4 83 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [1,0,0,1,0,0|1,0,0]=3 84 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [1,0,0,1,0,0|1,0,0]=3 85 B9R1.6 O=C(O)C1=CCCNC1 8985AB [1,0,0,1,0,0|1,0,0]=3 86 B9R1.6 O=C(O)C1=COCCC1 2840AE [1,0,0,1,0,0|1,0,0]=3 87 B9R1.6 O=C(O)C1CCCCO1 Y9295 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.6 O=C(O)C1CCCOC1 W8958 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.6 O=C(O)C1CCNCC1 W7261 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.6 O=C(O)C1CCSCC1 W9239 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.6 O=C(O)N1CCNCC1 E072 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [1,0,0,1,0,0|1,0,1]=4 95 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.7 CCOC1C=CC(=O)O1 2768AB [1,0,0,1,0,0|1,0,0]=3 97 B9R1.13 O=C(O)CC1CCCC1 2161AA [1,0,0,1,0,0|0,0,1]=3 98 B9R1.13 O=C(O)CC1CCCN1 X4013 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.13 O=C(O)CC1CCOC1 W3025 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.13 O=C(O)CN1CCCC1 0183AC [1,0,0,1,0,0|1,0,1]=4 101 B9R1.13 O=C(O)CN1CCCC1 Y8903 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.13 O=C(O)C[C@@H]1CCCN1 M616 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.13 O=C(O)C[C@H]1CCCN1 6072AB [1,0,0,1,0,0|1,0,1]=4 104 B9R1.13 O=C(O)C[C@H]1CCCN1 9054AH [1,0,0,1,0,0|1,0,1]=4 105 B9R1.41 CN1CCC[C@@H]1C(=O)O V7386 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.41 CN1CCC[C@H]1C(=O)O 1661AL [1,0,0,1,0,0|1,0,1]=4 107 B9R1.41 NC1CCCC1C(=O)O 3422AA [1,0,0,1,0,0|1,0,1]=4 108 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 9632AA [1,0,0,1,0,0|1,0,1]=4 109 B9R1.85 O=C(O)CSCC1CC1 4499AF [1,0,0,1,0,0|1,0,1]=4 110 B11R1.172 O=C(O)COCC1CCCO1 0776AF [0,1,0,1,0,0|1,0,1]=4 111 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,1,0,1,0,0|0,0,2]=4 112 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,1,0,1,0,0|0,0,2]=4 113 B11R1.143 CN1CCCCCC1C(=O)O 1648AL [0,1,0,1,0,0|0,0,2]=4 114 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,1,0,1,0,0|0,0,2]=4 115 B11R1.34 CCCC1CC(=O)CC(=O)C1 8510AB [0,1,0,1,0,0|1,0,1]=4 116 B11R1.230 CCCCC1CC(=O)OC1=O 7307AL [0,1,0,1,0,0|2,0,0]=4 117 B11R1.928 NC1(CC(=O)O)CCCCC1 1934AE [0,1,0,1,0,0|0,0,2]=4 118 B11R1.928 NC1(CC(=O)O)CCCCC1 W5850 [0,1,0,1,0,0|0,0,2]=4 119 B11R1.20 CC1CCC(=CC(=O)O)CC1 2201AC [0,1,0,1,0,0|0,0,0]=2 120 B11R1.40 COC(=O)CC1CCCCC1 7045AA [0,1,0,1,0,0|0,0,2]=4 121 B11R1.40 NOC(=O)CC1CCCCC1 W7029 [0,1,0,1,0,0|0,0,2]=4 122 B11R1.214 CCOCC1=CC=C(C=O)O1 Y1590 [0,1,0,1,0,0|1,0,1]=4 123 B11R1.35 NC(CC1CCCC1)C(=O)O X5414 [0,1,0,1,0,0|0,0,2]=4 124 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O Z5424 [0,1,0,1,0,0|0,0,2]=4 125 B11R1.36 CC(C(=O)O)C1CCCCC1 6543AE [0,1,0,1,0,0|0,0,2]=4 126 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 V4048 [0,1,0,1,0,0|0,0,2]=4 127 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 Z2102 [0,1,0,1,0,0|0,0,2]=4