0 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,0,0,0,0,0|2,1,1]=4 2 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.2 CCCCCCCC(=O)O SBB060020 [1,0,0,0,0,0|0,0,1]=2 8 B9R0.2 CCCCCCCC(C)=O SBB061540 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.2 CCCCCCCC(C)O SBB008521 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.2 CCCCCCCC(N)=O SBB061055 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.2 CCCCCCOC(C)=O SBB060306 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 CCCCSCCC(=O)O SBB001705 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.2 NCCCCCCC(=O)O SBB072673 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.2 O=C(O)CCCCCCO SBB059715 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.90 O=C(O)CCC1CCOC1=O SBB051506 [0,0,0,1,0,0|1,0,0]=2 23 B11R1.90 O=C(O)CCN1CCCC1=O SBB046364 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.157 CC1CCCN(CC(=O)O)C1 SBB010390 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.157 O=C(O)CN1CCOC(=O)C1 SBB002793 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.172 O=C(O)CCCN1CCCC1 SBB077224 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [0,0,0,1,0,0|1,0,2]=4 28 B11R1.645 O=C(O)CC1CC(=O)OC1=O SBB002791 [0,0,0,1,0,0|2,0,1]=4 29 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,0,0,0,1,0|1,0,0]=2 30 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,0,0,0,1,0|1,0,2]=4 31 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,0,0,0,1,0|3,0,0]=4 32 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [0,0,0,0,1,0|3,0,0]=4 33 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,0,0,0,1,0|1,0,2]=4 34 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,0,0,0,1,0|2,1,0]=4 35 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,0,0,0,0,1|1,0,0]=2 36 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,0,0,0,0,1|1,0,0]=2 37 B8R0.6 CCCCCC(=O)CC SBB060388 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.7 C#CCCCCC(=O)O SBB008797 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.7 CCCCCCC(=O)Cl SBB060012 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.7 CCCCCCC(=O)O SBB053587 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.7 CCCCCCC(C)=O SBB060387 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.7 CCCCCCC(C)O SBB059903 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.7 CCCCCOC(C)=O SBB060027 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.7 CCCCSCC(=O)O SBB061205 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.7 CCCNCCC(N)=O SBB116773 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.7 COCCOCC(=O)O SBB008497 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.7 NCCCCCC(=O)O SBB015068 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.7 O=C(O)CCCCCBr SBB065783 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.7 O=C(O)CCNCCO SBB079386 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.28 CC(C)CCCC(=O)O SBB072713 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.28 NC(=O)COCC(=O)O SBB046438 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.28 O=C(O)COCC(=O)O SBB058774 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.28 OC(=O)CCCN(C)C SBB005767 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.4 C=CCCCCCCC SBB060474 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.4 CCCCCCCC=O SBB059871 [2,0,0,0,0,0|0,0,1]=3 62 B8R0.4 CCCCCCCCO SBB059902 [2,0,0,0,0,0|0,0,2]=4 63 B8R0.4 CCCCCCNC=O SBB061175 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.4 CCCCCCOC=O SBB060302 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.1 C=CCOC(=O)CCC SBB061324 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.1 CCCC(=O)OCCCl SBB061294 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.1 CCCCC(=O)OCC SBB061113 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.1 CCCOC(=O)CCC SBB061105 [2,0,0,0,0,0|1,0,1]=4 69 B8R0.1 CCOC(=O)CCCBr SBB070757 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.1 CCOC(=O)CCCN SBB003878 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.1 CCOC(=O)CNC=O SBB067158 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.1 CCOC(=O)NCCO SBB079074 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.1 O=C(CCS)OCCO SBB008479 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.59 COC(=O)CCCC(=O)OC SBB058680 [1,1,0,0,0,0|1,0,0]=3 75 B10R0.59 COC(=O)CNCC(=O)OC SBB058638 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.59 COC(=O)COCC(=O)OC SBB060770 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.59 COC(=O)CSCC(=O)OC SBB072408 [1,1,0,0,0,0|2,0,0]=4 78 B10R0.82 COC(=O)CC[C@H](N)C(=O)O SBB006716 [1,1,0,0,0,0|1,0,0]=3 79 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.4 CCCCCCCCC(=O)O SBB058693 [1,1,0,0,0,0|0,0,1]=3 81 B10R0.4 CCCCCCCCC(N)=O SBB061053 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.4 CCCCCCCOC(C)=O SBB060307 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.4 OC(=O)CCCCCCCN SBB006735 [1,1,0,0,0,0|0,0,1]=3 84 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.74 CCCCCCCC(=O)NN SBB056838 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.74 CCCCCCCC(=O)OC SBB060592 [1,1,0,0,0,0|0,0,1]=3 87 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [1,1,0,0,0,0|0,0,1]=3 88 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [1,1,0,0,0,0|0,0,1]=3 89 B10R0.1 CCCCCOC(=O)CCC SBB060758 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.96 CN(C)NC(=O)CCC(=O)O SBB057747 [0,1,0,0,1,0|2,0,0]=4 91 B12R0.140 CC(C)(C)OC(=O)NCCC(=O)O SBB065848 [0,2,0,0,0,0|2,0,0]=4 92 B12R0.285 CCOC(=O)COCC(=O)OCC SBB060771 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.13 CC(=O)N1CCC(=O)CC1 SBB040812 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.13 CN1CCC(C(=O)O)CC1 SBB025225 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SBB028269 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.13 O=C1CCC(C(=O)O)CC1 SBB053428 [1,0,0,1,0,0|0,0,0]=2 99 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SBB062937 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [1,0,0,1,0,0|0,0,1]=3 101 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [1,0,0,1,0,0|1,0,1]=4 102 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [1,0,0,1,0,0|1,0,1]=4 103 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [1,0,0,1,0,0|1,0,0]=3 104 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [1,0,0,1,0,0|1,0,1]=4 107 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [1,0,0,1,0,0|1,0,1]=4 108 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [1,0,0,1,0,0|0,0,1]=3 112 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [1,0,0,1,0,0|1,0,0]=3 113 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.78 O=C1CCCCCCCN1 SBB058438 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [1,0,0,1,0,0|0,0,1]=3 116 B10R1.25 CC1=CC(C)C(C=O)CC1 SBB017127 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.29 O=C1CCCN1CCCO SBB056162 [1,0,0,1,0,0|1,0,1]=4 118 B10R1.138 CCCC(=O)OC[C@H]1CO1 SBB086343 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.113 CN1CCCC(C(=O)O)C1 SBB003754 [0,0,0,1,1,0|2,0,0]=4 120 B10R1.113 CN1CCCC(C(=O)O)C1 SBB085537 [0,0,0,1,1,0|2,0,0]=4 121 B10R1.113 O=C1CSCC(C(=O)O)N1 SBB072125 [0,0,0,1,1,0|2,0,0]=4 122 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SBB054035 [0,0,0,1,0,1|2,0,0]=4 123 B12R1.130 O=C(O)CCCN1CCCC1=O SBB010521 [0,0,0,1,0,1|0,0,0]=2 124 B12R1.226 CC1CCCN(CCC(=O)O)C1 SBB010524 [0,0,0,1,0,1|1,0,1]=4 125 B12R1.255 O=C(O)CCCNC1=NCCN1 SBB010522 [0,0,0,1,0,1|2,0,0]=4 126 B12R1.113 [C@H]1(CCC)CC[C@H](C(=O)O)CC1 SBB059378 [0,1,0,1,0,0|1,0,1]=4 127 B12R1.252 O=C(O)CCCC1CCCCN1 SBB014750 [0,1,0,1,0,0|1,0,1]=4 128 B12R1.252 O=C(O)CCCC1CCNCC1 SBB003471 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.252 O=C(O)CCCC1CCNCC1 SBB014751 [0,1,0,1,0,0|1,0,1]=4 130 B12R1.252 O=C(O)CCCN1CCOCC1 SBB077225 [0,1,0,1,0,0|2,0,0]=4 131 B12R1.16 CCCC(=O)N1CCC(=O)CC1 SBB046463 [0,1,0,1,0,0|2,0,0]=4 132 B12R1.16 CCOC(=O)C1CCC(=O)CC1 SBB054032 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.54 CC(CCC(=O)O)N1CCCC1 SBB301863 [0,1,0,1,0,0|2,0,0]=4 134 B12R1.125 O=C(O)CCC1CCCCC1=O SBB010511 [0,1,0,1,0,0|0,0,0]=2 135 B12R1.895 CC1=NNC(=O)C1CCC(=O)O SBB017966 [0,1,0,1,0,0|1,0,1]=4 136 B12R1.895 O=C(O)CCN1C(=O)CCC1=O SBB024232 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.1661 O=C(O)CC1CC2CCC1C2 SBB008500 [0,0,0,2,0,0|1,0,1]=4 138 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 SBB083983 [0,0,0,2,0,0|2,0,0]=4 139 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,0,0,0,1,0|0,0,0]=2 140 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [1,0,0,0,1,0|1,0,0]=3 141 B8R0.9 COC(=O)CCC(=O)O SBB061270 [1,0,0,0,1,0|1,0,0]=3 142 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [1,0,0,0,1,0|1,0,0]=3 143 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [1,0,0,0,1,0|1,0,0]=3 144 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [1,0,0,0,1,0|2,0,0]=4 145 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,0,0,0,2,0|1,0,1]=4 146 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,0,0,0,2,0|2,0,0]=4 147 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,0,0,0,2,0|1,0,0]=3 148 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,0,0,0,2,0|2,0,0]=4