0 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.10 CCCC1CCCC(O)C1 MC106169 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.10 CCNC1CCCN(C)C1 MC103677 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.10 CN1CCCC(CCN)C1 MC105153 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.10 CN1CCCC(CCN)C1 MC105639 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.2 NCC1CCNC(=O)C1 MC101902 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 NCC1CCNC(=O)C1 MC102333 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 O=C1CC(CO)CCN1 MC444199 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 O=C1COCC(CO)N1 CS17255 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CCNC1CCCCC1 CS11778 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 CCOC1CCCNC1 CS13869 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 CNCC1CCCOC1 MC104397 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 COCC1CNCCO1 MC105771 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 COCC1CNCCO1 MC444037 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 COCC1CNCCO1 MC444190 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 NCCC1CCCCC1 CS18358 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 OCCC1CCCCN1 CS13732 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 OCCC1CCCCN1 CS17564 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 OCCC1CCCCN1 MC445188 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 OCCC1CNCCO1 MC107498 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.157 CC(C)CC1CCCC(=O)C1 MC106121 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,0,1,0,0,0|1,0,0]=2 24 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,0,1,0,0,0|2,0,0]=3 25 B9R0.2 CCCSCCCC(=O)O MC112372 [0,0,1,0,0,0|1,0,0]=2 26 B9R0.2 NCCCCCCC(=O)O CS10138 [0,0,1,0,0,0|1,0,0]=2 27 B9R0.2 O=C(O)CCCCCCO CS10820 [0,0,1,0,0,0|1,0,0]=2 28 B9R0.2 [N-]=[N+]=NCCCCC(=O)O MC113086 [0,0,1,0,0,0|3,0,0]=4 29 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.5 CCOC(=O)CCCCN CS14354 [0,0,1,0,0,0|3,0,0]=4 31 B11R2.36 O=C1CN2CCCC2CN1 MC107479 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.106 O=C1CCNC2CCCC12 MC106189 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.106 O=C1CCNC2CCCC12 MC106190 [0,0,0,1,0,0|2,0,0]=3 34 B11R2.106 O=C1CNCC2CCCN12 MC115989 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.106 O=C1CNCC2CCCN12 MC429079 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.118 O=C1CC2CCC1C(=O)N2 MC103313 [0,0,0,1,0,0|2,0,1]=4 37 B11R2.678 O=C1CC2CCCC(C1)N2 MC425237 [0,0,0,1,0,0|2,0,0]=3 38 B11R2.678 O=C1CC2CSCC(C1)N2 MC103866 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.1478 O=C1CNCC2(CCC2)N1 MC104177 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,0,0,0,1,0|2,0,1]=4 42 B9R1.33 CN1CCCC1CCN CS17253 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.33 CN1CCCC1CCN CS17948 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.33 CN1CCCC1CCN MC105423 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.33 COCC1CCCC1=O MC106167 [0,0,0,0,1,0|1,0,0]=2 46 B9R1.33 O=C1CCCN1CCBr MC431361 [0,0,0,0,1,0|2,0,0]=3 47 B8R0.4 CCCCCOCCO MC437002 [1,0,1,0,0,0|1,0,1]=4 48 B8R0.4 CCCCNCCCC CS11229 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.4 OCCCCCCCBr CS13415 [1,0,1,0,0,0|1,0,1]=4 50 B8R0.7 CCCCCCB(O)O MC31067 [1,0,1,0,0,0|1,0,1]=4 51 B8R0.7 COCCOCC(=O)O MC10458 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.7 CSCCCCC(=O)O MC112374 [1,0,1,0,0,0|1,0,0]=3 53 B8R0.7 NCCCCCC(=O)O CS13381 [1,0,1,0,0,0|1,0,0]=3 54 B8R0.7 O=C(O)CCCCCBr CS18405 [1,0,1,0,0,0|1,0,0]=3 55 B8R0.1 CCCC(C)CCCO MC112367 [1,0,1,0,0,0|1,0,1]=4 56 B8R0.1 CCOC(=O)CCCO MC111642 [1,0,1,0,0,0|2,0,0]=4 57 B8R0.6 CCCCNC(=O)CCl CS11766 [1,0,1,0,0,0|2,0,0]=4 58 B8R1.2 CCC1CNCCO1 MC444035 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.2 CCC1CNCCO1 MC444058 [2,0,0,0,0,0|1,0,1]=4 60 B8R1.2 CCC1CNCCO1 MC444187 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.2 OCC1CCC=CO1 MC20505 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.4 CC1CC(=O)CCN1 MC101989 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 CC1CC(=O)CCN1 MC103769 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 CC1CC(=O)CCN1 MC444193 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 CC1CC(=O)CCO1 MC103799 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 CC1CC(=O)CCO1 MC103800 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 CC1CC(=O)CCO1 MC31001 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 CC1CNCC(=O)N1 MC103795 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.4 CC1CNCC(=O)N1 MC104244 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.4 CC1CNCC(=O)N1 MC444027 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.4 O=C1CCCC(=O)O1 CS11243 [2,0,0,0,0,0|1,0,1]=4 72 B10R0.4 CCCCCCCCB(O)O MC31112 [0,1,1,0,0,0|1,0,1]=4 73 B10R0.4 NCCOCCOCC(=O)O CS12154 [0,1,1,0,0,0|2,0,0]=4 74 B10R0.4 NCCOCCOCC(=O)O MC428319 [0,1,1,0,0,0|2,0,0]=4 75 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O MC436282 [0,1,1,0,0,0|2,0,0]=4 76 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [0,1,1,0,0,0|0,0,0]=2 77 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445021 [0,1,1,0,0,0|1,0,1]=4 78 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445027 [0,1,1,0,0,0|1,0,1]=4 79 B10R0.55 COC(=O)CCCCC(=O)O CS19614 [0,1,1,0,0,0|1,0,1]=4 80 B10R0.74 CCCCCCCC(=O)NO CS11097 [0,1,1,0,0,0|0,0,0]=2 81 B10R0.74 COC(=O)CCCCCCN CS14288 [0,1,1,0,0,0|1,0,0]=3 82 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [0,1,1,0,0,0|1,0,0]=3 83 B10R0.78 CCCCC(=O)NCC(=O)O MC428130 [0,1,1,0,0,0|1,0,1]=4 84 B10R0.97 O=C(O)CCCCCC(=O)O CS19817 [0,1,1,0,0,0|1,0,1]=4 85 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,1,1,0,0,0|2,0,0]=4 86 B10R1.15 CCC(N)C1CCCCC1 CS18551 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.17 CCNCC1CCCCC1 MC431466 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.17 COCCC1CCCCN1 MC425896 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.17 ICCCC1CCCCC1 MC111977 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.29 N#CCCC1CCCC1=O MC106173 [0,1,0,0,1,0|0,0,1]=3 91 B12R1.17 CCOC(=O)C1CCCC(=O)C1 CS11355 [0,2,0,0,0,0|1,0,1]=4 92 B10R1.61 CN1CCCCC1C(=O)O MC20434 [0,0,1,1,0,0|1,0,0]=3 93 B10R1.61 O=C(O)C1CCCCC1O CS21597 [0,0,1,1,0,0|1,0,0]=3 94 B10R1.66 O=C(Cl)CCC1CCCC1 MC20931 [0,0,1,1,0,0|1,0,0]=3 95 B10R1.66 O=C(O)CCC1CCCN1 MC431310 [0,0,1,1,0,0|1,0,0]=3 96 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [0,0,1,1,0,0|0,0,0]=2 97 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [0,0,1,1,0,0|0,0,2]=4 98 B10R2.62 O=C1CN2CCC1CC2 CS19608 [1,0,0,1,0,0|2,0,0]=4 99 B10R2.62 O=C1NC2CCC1CC2 MC444164 [1,0,0,1,0,0|1,0,0]=3 100 B10R2.71 O=C1CC2CCC(C1)N2 CS18910 [1,0,0,1,0,0|2,0,0]=4 101 B10R2.534 O=C1CCCC2(CC2)N1 CS17693 [1,0,0,1,0,0|1,0,0]=3 102 B10R2.7 C1CC2CCNCC2C1 MC430637 [1,0,0,1,0,0|2,0,0]=4 103 B10R2.7 C1CNC2CCCC2C1 MC425895 [1,0,0,1,0,0|1,0,1]=4 104 B10R2.484 C1CC2(C1)CNCCO2 MC104907 [1,0,0,1,0,0|1,0,1]=4 105 B10R2.484 C1CCC2(CCC2)NC1 MC101963 [1,0,0,1,0,0|1,0,1]=4 106 B10R2.484 C1CCC2(CNC2)OC1 MC102343 [1,0,0,1,0,0|1,0,1]=4 107 B10R2.332 O=C1NCC2(CCC2)O1 MC101986 [0,0,0,1,1,0|1,0,0]=3 108 B10R2.41 O=C1C2CCC1CNC2 MC102102 [0,0,0,1,1,0|1,0,0]=3 109 B10R2.41 O=C1C2CNCC1OC2 MC104897 [0,0,0,1,1,0|2,0,0]=4 110 B12R2.229 O=C1CCNCC2CCCN12 MC104229 [0,0,0,1,0,1|1,0,0]=3 111 B12R2.455 O=C1CNCC2CCCN1C2 MC113159 [0,0,0,1,0,1|2,0,0]=4 112 B12R2.1081 O=C1COCC2CNCCN12 MC104274 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.1081 O=C1COCC2CNCCN12 MC104275 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.1081 O=C1COCC2CNCCN12 MC104276 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.1081 O=C1COCC2CNCCN12 MC425874 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.2313 O=C1CC(C2CNC2)CCO1 MC121208 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.24 O=C1CCN2CCCCC2C1 MC107478 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.24 O=C1CNC2CCCCC2N1 MC442277 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.24 O=C1CNC2CCCCC2N1 MC442278 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.5121 CC1CCCC2(CCCO2)O1 MC101717 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.5121 O=C1NC2(CCNC2)CCO1 MC102344 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.5121 O=C1NC2(CCNC2)CCO1 MC105048 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 MC425100 [0,1,0,1,0,0|1,0,1]=4 124 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,0,1,0,1,0|2,0,0]=4 125 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,0,1,0,1,0|2,0,0]=4 126 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,0,1,0,1,0|2,0,0]=4 127 B8R1.1 NCC1CNC(=O)O1 MC103408 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.1 O=C1CCC(CO)N1 CS13834 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.1 O=C1CCC(CO)N1 CS15562 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.11 N#CC1CCCC1=O CS20047 [1,0,0,0,1,0|1,0,1]=4 131 B8R1.11 O=C1NCCC1CO MC104392 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.8 BrCCC1OCCO1 CS18251 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.8 COCC1CCCN1 CS20310 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.8 ICCC1CCCC1 MC106254 [1,0,0,0,1,0|1,0,1]=4 135 B8R1.8 NCCC1CCCC1 CS15909 [1,0,0,0,1,0|1,0,1]=4 136 B8R1.8 OCCC1CCCN1 MC103847 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.8 OCCC1CCCN1 MC106622 [1,0,0,0,1,0|2,0,0]=4