0 B8R0.6 CCCCCC(=O)CC 6144AL [0,0,0,0,0,0|2,0,0]=2 1 B8R0.6 CCCCCC(=O)NN 8224AD [0,0,0,0,0,0|3,0,0]=3 2 B8R0.6 CCCCNC(=O)CC 8516AL [0,0,0,0,0,0|3,0,0]=3 3 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 COC(=O)CCCCN 3063AB [0,0,0,0,0,0|2,0,0]=2 5 B8R0.6 COC(=O)CCN=C=S 6385AD [0,0,0,0,0,0|3,0,0]=3 6 B8R0.6 COC(=O)COCCCl 2910AC [0,0,0,0,0,0|3,0,0]=3 7 B8R0.6 COCCOC(=O)CCl 7354AL [0,0,0,0,0,0|3,1,0]=4 8 B7R0.1 CCCCCCOC 8052AL [1,0,0,0,0,0|1,0,1]=3 9 B7R0.1 CNCCCCNC 8068AA [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 C=CCOC(=O)OC Z3261 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|1,0,0]=2 12 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 CCCCC(Br)CC 6006AL [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CCCNC(=O)CN V6930 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.3 CCCOC(=O)CBr U694 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|2,0,0]=3 17 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|1,0,0]=2 18 B7R0.3 COC(=O)CN=C=S 7159AD [1,0,0,0,0,0|1,0,2]=4 19 B7R0.3 COC(=O)CNC=O 3413AB [1,0,0,0,0,0|1,1,1]=4 20 B7R0.3 NNC(=O)CCCO 2288AE [1,0,0,0,0,0|2,1,0]=4 21 B7R0.4 C=CCNCC(=O)O Y8695 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|2,0,0]=3 24 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|2,0,0]=3 25 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|0,1,0]=2 27 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 O=C(O)COCCCl Y5074 [1,0,0,0,0,0|3,0,0]=4 30 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [0,1,0,0,0,0|3,0,0]=4 31 B9R0.5 C=COC(=O)CCCCC 7945AF [0,1,0,0,0,0|1,0,1]=3 32 B9R0.5 CCOC(=O)COCCCl W3753 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,0,0,0,0|2,0,1]=4 35 B9R0.46 C=CCNCCC(=O)OC 1963AE [0,1,0,0,0,0|1,0,1]=3 36 B9R0.46 CCCCCCC(=O)NN 7657AD [0,1,0,0,0,0|3,0,0]=4 37 B9R0.46 COC(=O)CCCCCO 6266AB [0,1,0,0,0,0|1,0,0]=2 38 B9R0.47 C=C(C)C(=O)NCCCC 2777AB [0,1,0,0,0,0|3,0,0]=4 39 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 COC1CCC(=O)CC1 X9889 [0,0,0,1,0,0|1,1,0]=3 41 B9R1.1 N#CC1CCC(=O)CC1 W5655 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.5 CN1CCCNCC1=O W7308 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.11 COC(=O)C1CCOC1 3589AL [0,0,0,1,0,0|0,1,0]=2 47 B9R1.11 COC(=O)C1NCCS1 Y8749 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.11 COC(=O)[C@@H]1C=CCN1 Z5700 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.11 COC(=O)[C@@H]1CCNC1 W8977 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.11 COC(=O)[C@H]1CCNC1 X8929 [0,0,0,1,0,0|1,0,0]=2 51 B9R1.11 COC(=O)[SH]1CC=CC1 Z2456 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,0,0,1,0,0|3,0,0]=4 53 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.79 COC(=O)CC1CNC1 4200AJ [0,0,0,1,0,0|1,0,0]=2 55 B6R0.6 CCCCSCC 7568AF [2,0,0,0,0,0|2,0,0]=4 56 B6R0.6 CNCCCCO 5794AB [2,0,0,0,0,0|1,0,1]=4 57 B6R0.6 C\C=C/CCCO 7448AL [2,0,0,0,0,0|1,1,0]=4 58 B6R0.1 CCNC(=O)CC 8553AL [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CCOC(=O)OC 7884AL [2,0,0,0,0,0|1,0,0]=3 60 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 COC(=O)OCCl 0229AP [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CCC#CC(C)=O 6057AL [2,0,0,0,0,0|0,0,2]=4 63 B6R0.4 CCCCC(=N)N 1867AA [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CCCCC(=N)N 9567AA [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCNC(N)=O P685 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|0,0,0]=2 70 B6R0.4 N#CCCC(=O)O W3483 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|2,0,0]=4 73 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [1,1,0,0,0,0|0,0,2]=4 74 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,1,0,0,0,0|0,0,1]=3 75 B8R0.3 COC(=O)C(C)CCCl 4098AD [1,1,0,0,0,0|1,0,0]=3 76 B8R0.8 CCCOC(=O)C(C)C 8881AL [1,1,0,0,0,0|2,0,0]=4 77 B8R0.8 CCCOC(=O)C(C)O 8130AL [1,1,0,0,0,0|2,0,0]=4 78 B8R0.9 COC(=O)CCC(N)=O 8250AL [1,1,0,0,0,0|0,1,1]=4 79 B8R0.9 COC(=O)CCS(=O)[O-] 4967AC [1,1,0,0,0,0|1,0,1]=4 80 B8R0.11 CCC\C=C(\C=O)CC 5610AL [1,1,0,0,0,0|1,0,1]=4 81 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|0,0,0]=2 82 B8R0.28 CC(=O)CCCC(C)C 5697AC [1,1,0,0,0,0|1,0,0]=3 83 B8R0.28 CC(=O)CCOC(C)=O 0405AA [1,1,0,0,0,0|2,0,0]=4 84 B8R0.28 CC(=O)OCCN(C)C 6940AA [1,1,0,0,0,0|2,0,0]=4 85 B10R0.44 COC(=O)CC(=O)CC(C)C 3273AJ [0,2,0,0,0,0|1,0,1]=4 86 B10R0.44 COC(=O)CC(C)CC(=O)O Z4530 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.57 COC(=O)[C@@H](C)CSC(C)=O 4139AL [0,2,0,0,0,0|2,0,0]=4 88 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 3665AB [0,2,0,0,0,0|2,0,0]=4 89 B10R0.57 COC(=O)[C@H](N)CCC(=O)O 2389AB [0,2,0,0,0,0|2,0,0]=4 90 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.57 [C@H](N)(CCC(=O)O)C(=O)OC V1174 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.82 COC(=O)CCC(N)C(=O)O 7109AH [0,2,0,0,0,0|2,0,0]=4 93 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,2,0,0,0,0|2,0,0]=4 94 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,2,0,0,0,0|2,0,0]=4 95 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [0,2,0,0,0,0|0,0,0]=2 97 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [0,2,0,0,0,0|0,0,0]=2 98 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [0,2,0,0,0,0|0,0,0]=2 99 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [0,2,0,0,0,0|1,0,0]=3 100 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,2,0,0,0,0|1,0,0]=3 101 B10R0.55 COC(=O)CCCCC(C)=O 0506AB [0,2,0,0,0,0|1,0,0]=3 102 B10R0.74 COC(=O)CCCCCCBr W6840 [0,2,0,0,0,0|1,0,0]=3 103 B10R0.74 COC(=O)CCCCCCN W3908 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.49 C1=CCCCCCC1 R645 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.49 C1=CCCCCCC1 Z3117 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.3 O=C1CCC(O)CN1 W4138 [1,0,0,1,0,0|1,1,0]=4 107 B8R1.38 COC(=O)C1CCC1 9430AE [1,0,0,1,0,0|0,0,0]=2 108 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|1,0,0]=3 109 B8R1.38 NNC(=O)C1CCC1 4590AF [1,0,0,1,0,0|2,0,0]=4 110 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|2,0,0]=4 112 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|2,0,0]=4 113 B8R1.4 CN1CCOC(=O)C1 9637AA [1,0,0,1,0,0|2,0,0]=4 114 B8R1.7 NC(=O)C1CCNC1 9876AB [1,0,0,1,0,0|2,0,0]=4 115 B8R1.7 O=C(O)C1CCNC1 W9737 [1,0,0,1,0,0|1,0,0]=3 116 B8R1.7 O=C(O)C1CSSC1 X3729 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [1,0,0,1,0,0|1,0,0]=3 118 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [1,0,0,1,0,0|1,0,0]=3 119 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [1,0,0,1,0,0|1,0,0]=3 121 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|0,1,0]=3 123 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|1,0,0]=3 124 B10R1.13 CC(C)C1CCC(=O)CC1 7826AB [0,1,0,1,0,0|2,0,0]=4 125 B10R1.13 CN(C)C1CCC(=O)CC1 W6112 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.14 COC(=O)C1CCC(=O)C1 W5454 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.14 COC(=O)C1CCN(C)C1 1024AE [0,1,0,1,0,0|1,0,0]=3 128 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 V6761 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.54 CC(C)CC1CNC(=O)C1 6680AE [0,1,0,1,0,0|2,0,0]=4 130 B10R1.153 COC(=O)CCNC1CC1 6994AJ [0,1,0,1,0,0|1,0,0]=3 131 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,1,0,1,0,0|2,0,0]=4 132 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.78 O=C1CCCCCCCC1 3914AB [0,1,0,1,0,0|2,0,0]=4 134 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,1,0,1,0,0|1,0,0]=3 135 B10R1.15 CCC(=O)C1CCCCC1 2177AA [0,1,0,1,0,0|2,0,0]=4 136 B10R1.15 CNC(=O)C1CCCCN1 2898AD [0,1,0,1,0,0|2,0,0]=4 137 B10R1.15 CNC(=O)C1CCNCC1 6412AD [0,1,0,1,0,0|2,0,0]=4 138 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,1,0,0|1,0,1]=4 139 B10R1.15 COC(=O)C1=CCNCC1 6880AJ [0,1,0,1,0,0|1,0,1]=4 140 B10R1.15 COC(=O)C1CCCCN1 P494 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.15 COC(=O)C1CCCOC1 W4041 [0,1,0,1,0,0|0,1,0]=3 142 B10R1.15 COC(=O)C1COCCN1 3895AA [0,1,0,1,0,0|0,1,0]=3 143 B10R1.15 COC(=O)N1CCCCC1 3586AL [0,1,0,1,0,0|1,0,0]=3 144 B10R1.15 COC(=O)N1CCNCC1 W8961 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.15 COC(=O)[C@@H]1CCCNC1 S981 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.15 COC(=O)[C@H]1CCCCN1 W6258 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.15 COC(=O)[C@H]1CCCNC1 W3583 [0,1,0,1,0,0|1,0,0]=3 148 B10R1.15 COC(=O)[C@H]1CCCNC1 W5068 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.15 COC(=O)[C@H]1CNCCN1 W7554 [0,1,0,1,0,0|1,0,0]=3 150 B10R1.15 COC(=O)[C@H]1COCCN1 3118AA [0,1,0,1,0,0|0,1,0]=3 151 B10R1.15 NOC(=O)C1CCOCC1 Z4416 [0,1,0,1,0,0|1,1,0]=4 152 B10R1.275 CN1CCCC[C@H](N)C1=O 6487AC [0,1,0,1,0,0|2,0,0]=4 153 B10R1.411 COC(=O)C1(C)CCCO1 6969AJ [0,1,0,1,0,0|2,0,0]=4 154 B10R1.411 COC(=O)C1(N)CCCC1 X3163 [0,1,0,1,0,0|1,0,0]=3 155 B10R1.149 COC(=O)C1=C(N)CCC1 7484AB [0,1,0,1,0,0|2,0,0]=4 156 B10R1.149 COC(=O)C1COCC1=O 8499AB [0,1,0,1,0,0|0,1,1]=4 157 B10R1.1 CCCN1CCC(=O)CC1 V0038 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.1 CCOC1CCC(=O)CC1 7957AD [0,1,0,1,0,0|1,1,0]=4 159 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,2,0,0|1,0,1]=4