0 B10R0.74 CCCCCCCC(=O)NO CS11097 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.74 COC(=O)CCCCCCN CS14288 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CCCCCCCC(=O)Cl MC40496 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 CCCCCCOC(=O)Cl CS11449 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.2 CCCSCCCC(=O)O MC112372 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 NCCCCCCC(=O)O CS10138 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.2 O=C(O)CCCCCCO CS10820 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.2 [N-]=[N+]=NCCCCC(=O)O MC113086 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.45 CCCCCCCCNC CS15827 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.46 COC(=O)CCCCCN CS11662 [1,0,0,0,0,0|1,0,0]=2 10 B11R0.4 CCCCCCCC(=O)OCC CS14101 [0,1,0,0,0,0|0,0,0]=1 11 B11R0.4 CCOC(=O)CCCCCCN CS14103 [0,1,0,0,0,0|1,0,0]=2 12 B11R0.49 CCS(=O)(=O)CCCCCCN MC112045 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.1 CCCOC1CCC(=O)CC1 CS17706 [0,0,0,1,0,0|2,0,0]=3 14 B11R1.25 COC(=O)CCC1CCNC1 MC115716 [0,0,0,1,0,0|1,0,0]=2 15 B11R1.25 COC(=O)CNC1CCCC1 CS14712 [0,0,0,1,0,0|1,0,0]=2 16 B11R1.40 COC(=O)CC1CCCNC1 MC20602 [0,0,0,1,0,0|1,0,0]=2 17 B11R1.40 COC(=O)CC1COCCN1 MC111097 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.222 COC(=O)C1CNCCC1=O CS11650 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.852 COC(=O)C1CCCNCC1 MC104967 [0,0,0,1,0,0|1,0,0]=2 20 B8R0.4 CCCCCOCCO MC437002 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.4 CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.4 COCCOCCOC MC41925 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.4 OCCCCCCCBr CS13415 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.7 CCCCCCB(O)O MC31067 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.7 COCCOCC(=O)O MC10458 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.7 CSCCCCC(=O)O MC112374 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 NCCCCCC(=O)O CS13381 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.7 O=C(O)CCCCCBr CS18405 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.6 CCCSCC(=O)OC MC434048 [2,0,0,0,0,0|1,0,0]=3 30 B10R0.4 CCCCCCCCB(O)O MC31112 [1,1,0,0,0,0|1,0,1]=4 31 B10R0.4 CCCCCCCCC(C)C CS21688 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.4 NCCOCCOCC(=O)O CS12154 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.4 NCCOCCOCC(=O)O MC428319 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O MC436282 [1,1,0,0,0,0|2,0,0]=4 35 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [1,1,0,0,0,0|0,0,0]=2 36 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445021 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445027 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.55 COC(=O)CCCCC(=O)O CS19614 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.78 CCCCC(=O)NCC(=O)O MC428130 [1,1,0,0,0,0|1,0,1]=4 41 B10R0.97 O=C(O)CCCCCC(=O)O CS19817 [1,1,0,0,0,0|1,0,1]=4 42 B10R0.83 COC(=O)C(N)CCCCN MC437851 [1,1,0,0,0,0|1,0,0]=3 43 B12R0.1 CCCCCCCCS(=O)CCO MC437764 [0,2,0,0,0,0|2,0,0]=4 44 B12R0.1 CCOC(=O)CCCCCCCBr CS14864 [0,2,0,0,0,0|0,0,0]=2 45 B12R0.239 CCCCCC(O)CC(=O)OCC MC114559 [0,2,0,0,0,0|0,0,0]=2 46 B12R0.113 CCCCCCC(C)OC(=O)CCl MC114125 [0,2,0,0,0,0|2,0,0]=4 47 B12R0.184 COC(=O)CCCCCCC(=O)O CS11965 [0,2,0,0,0,0|0,0,1]=3 48 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [1,0,0,1,0,0|0,0,0]=2 49 B10R1.10 CCCC1CCCC(O)C1 MC106169 [1,0,0,1,0,0|0,0,2]=4 50 B10R1.10 COCC1CCCC(=O)C1 MC106177 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [1,0,0,1,0,0|0,0,0]=2 52 B10R1.18 O=C(O)CC1CCCNC1 CS15743 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [1,0,0,1,0,0|1,0,0]=3 54 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.18 O=C(O)CC1COCCN1 CS14263 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.18 O=C(O)CC1COCCN1 MC104152 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.61 CN1CCCCC1C(=O)O MC20434 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.61 O=C(O)C1CCCCC1O CS21597 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.64 CN1CCCC1CC(=O)O MC116521 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.66 O=C(Cl)CCC1CCCC1 MC20931 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.66 O=C(O)CCC1CCCN1 MC431310 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [1,0,0,1,0,0|0,0,0]=2 64 B10R1.17 CCCCC1CCNCC1 CS14224 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.17 CCNCC1CCCCC1 MC431466 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.17 COCCC1CCCCN1 MC425896 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [1,0,0,1,0,0|0,0,0]=2 68 B10R1.15 COC(=O)C1CCCCC1 CS22810 [1,0,0,1,0,0|0,0,0]=2 69 B10R1.15 COC(=O)C1CCCCN1 CS14321 [1,0,0,1,0,0|1,0,0]=3 70 B10R1.15 COC(=O)C1CCCCN1 CS19622 [1,0,0,1,0,0|1,0,0]=3 71 B10R1.15 COC(=O)C1CCCCN1 CS19623 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.15 COC(=O)C1CCCNC1 CS15320 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.15 COC(=O)C1CCCNC1 CS19621 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.15 COC(=O)C1CCCOC1 CS14631 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.15 COC(=O)C1CCOCC1 CS13506 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.15 COC(=O)C1CNCCO1 CS15141 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.15 COC(=O)C1CNCCO1 CS15369 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.15 COC(=O)C1CNCCO1 MC444510 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.15 COC(=O)C1CNCCO1 MC444511 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.15 COC(=O)C1COCCN1 MC104286 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.15 COC(=O)C1COCCN1 MC114879 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.15 COC(=O)C1COCCN1 MC444512 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.15 COC(=O)C1COCCN1 MC444560 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.15 NCC(=O)C1CCCCC1 MC103431 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.27 COC(=O)CC1CCCN1 CS16363 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.149 COC(=O)C1NCCC1O MC104250 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.149 COC(=O)C1NCCC1O MC104974 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.149 COC(=O)C1NCCC1O MC104976 [1,0,0,1,0,0|2,0,0]=4 89 B12R1.32 CCOC(=O)CC1CCCCC1 MC116206 [0,1,0,1,0,0|0,0,0]=2 90 B12R1.32 CCOC(=O)CC1CCNCC1 CS18641 [0,1,0,1,0,0|1,0,0]=3 91 B12R1.32 CCOC(=O)CC1CNCCN1 MC429670 [0,1,0,1,0,0|2,0,0]=4 92 B12R1.32 CCOC(=O)CN1CCNCC1 MC41684 [0,1,0,1,0,0|2,0,0]=4 93 B12R1.308 CCOC(=O)C1CCCCC1=O CS13797 [0,1,0,1,0,0|1,0,1]=4 94 B12R1.308 CCOC(=O)C1CCCCC1N MC106368 [0,1,0,1,0,0|1,0,0]=3 95 B12R1.308 CCOC(=O)C1CCCCC1O CS11393 [0,1,0,1,0,0|1,0,0]=3 96 B12R1.308 CCOC(=O)C1CCCCN1C CS18952 [0,1,0,1,0,0|1,0,0]=3 97 B12R1.308 CCOC(=O)C1CCCNC1C MC425240 [0,1,0,1,0,0|1,0,0]=3 98 B12R1.318 CCOC(=O)CC1CCCC1=O CS21730 [0,1,0,1,0,0|1,0,1]=4 99 B12R1.477 COC(=O)CCNC1CCCC1 CS13919 [0,1,0,1,0,0|0,0,0]=2 100 B12R1.49 COC(=O)CC1CCC(=O)CC1 MC425454 [0,1,0,1,0,0|0,0,1]=3 101 B12R1.368 COC(=O)C1CCCN1C(C)=O MC436108 [0,1,0,1,0,0|1,0,1]=4 102 B12R1.34 COC(=O)C(N)C1CCCCC1 CS15673 [0,1,0,1,0,0|0,0,0]=2 103 B12R1.34 COC(=O)C(N)C1CCCCC1 MC439320 [0,1,0,1,0,0|0,0,0]=2 104 B12R1.34 COC(=O)C(N)N1CCCCC1 MC435584 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.34 COC(=O)C(N)N1CCCCC1 MC435585 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.24 O=C1CCN2CCCCC2C1 MC107478 [0,0,0,2,0,0|2,0,0]=4 107 B12R2.24 O=C1CN2CCCCC2CN1 MC107480 [0,0,0,2,0,0|2,0,0]=4 108 B12R2.24 O=C1CNC2CCCCC2N1 MC442277 [0,0,0,2,0,0|2,0,0]=4 109 B12R2.24 O=C1CNC2CCCCC2N1 MC442278 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.1175 O=C1CCC2(CCOC2)CC1 MC103893 [0,0,0,2,0,0|2,0,0]=4 111 B12R2.2918 O=C1CC2(CCCNC2)CN1 MC104482 [0,0,0,2,0,0|2,0,0]=4 112 B12R2.2918 O=C1CC2(CCNCC2)CN1 CS14933 [0,0,0,2,0,0|2,0,0]=4 113 B12R2.2918 O=C1NC2(CCNCC2)CO1 MC106815 [0,0,0,2,0,0|2,0,0]=4 114 B12R2.18 CN1CC2CCNCC2C1=O MC101948 [0,0,0,2,0,0|2,0,0]=4 115 B12R2.18 CN1CC2CCNCC2C1=O MC104594 [0,0,0,2,0,0|2,0,0]=4 116 B12R2.3810 COC(=O)C1C2CNCC1C2 MC102430 [0,0,0,2,0,0|1,0,0]=3 117 B12R2.229 O=C1CCNCC2CCCN12 MC104229 [0,0,0,2,0,0|2,0,0]=4 118 B12R2.455 O=C1CNCC2CCCN1C2 MC113159 [0,0,0,2,0,0|2,0,0]=4 119 B12R2.630 CN1C2CCC1CC(=O)NC2 MC115596 [0,0,0,2,0,0|2,0,0]=4 120 B12R2.1585 COC(=O)C1CCC2OC2C1 CS15876 [0,0,0,2,0,0|1,0,0]=3