0 B12R0.1 CCCCCCCCC(=O)OCC CSC011218606 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [0,0,0,0,0,0|3,0,0]=3 2 B12R0.1 CCCCOCCOC(=O)CCC CSC000053117 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.3 CCCSCCCCSCCC CSC009990883 [1,0,0,0,0,0|3,0,0]=4 4 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [1,0,0,0,0,0|2,0,0]=3 5 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [1,0,0,0,0,0|1,0,0]=2 6 B11R0.4 CCNC(=O)NCCCCCO CSC012017630 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [1,0,0,0,0,0|2,0,0]=3 8 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [1,0,0,0,0,0|0,0,0]=1 9 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [1,0,0,0,0,0|1,0,0]=2 10 B13R0.2 CCCCCCCCCC(=O)OCC CSC011217761 [0,1,0,0,0,0|0,0,0]=1 11 B13R0.2 CCCCCCCCOC(=O)CCC CSC000047179 [0,1,0,0,0,0|1,0,0]=2 12 B13R0.2 CCCCOCCCNC(=O)CCN CSC011598422 [0,1,0,0,0,0|3,0,0]=4 13 B13R0.2 CCCCOCCCNC(=O)CNC CSC000225788 [0,1,0,0,0,0|3,0,0]=4 14 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [0,1,0,0,0,0|2,0,0]=3 15 B13R0.66 CCCCOCCNC(=O)CCCN CSC011426212 [0,1,0,0,0,0|3,0,0]=4 16 B13R0.66 CCCCOCCNC(=O)CCNC CSC011535094 [0,1,0,0,0,0|3,0,0]=4 17 B13R0.66 CCOCC(=O)NCCNCCOC CSC013141333 [0,1,0,0,0,0|3,0,0]=4 18 B13R0.66 CCOCCCCNC(=O)CCCN CSC020025908 [0,1,0,0,0,0|3,0,0]=4 19 B13R0.66 CNCCC(=O)NCCCCCOC CSC014420798 [0,1,0,0,0,0|3,0,0]=4 20 B13R0.66 COCCCCCNC(=O)CCCN CSC012917164 [0,1,0,0,0,0|3,0,0]=4 21 B13R0.193 CCOC(=O)CNC(=O)CCCNC CSC011367938 [0,1,0,0,0,0|2,0,1]=4 22 B13R0.335 CCCCCCCCC(=O)NC(C)C CSC011203559 [0,1,0,0,0,0|1,0,0]=2 23 B13R0.335 CCCCCCCOC(=O)CC(C)C CSC000053820 [0,1,0,0,0,0|2,0,0]=3 24 B13R0.340 CCCCCCCNC(=O)C(=O)NC CSC010776665 [0,1,0,0,0,0|3,0,0]=4 25 B13R0.367 CCOC(=O)CCCNC(=O)CCN CSC012108134 [0,1,0,0,0,0|2,0,1]=4 26 B13R0.367 CCOC(=O)CCCNC(=O)CNC CSC000213103 [0,1,0,0,0,0|2,0,1]=4 27 B13R0.1338 CCCCCCCCS(=O)(=O)CCO CSC010286055 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.42 CCNC(=O)COC1CCNCC1 CSC011271768 [0,0,0,1,0,0|3,0,0]=4 29 B13R1.42 CCNC(=O)NCC1CCCCC1 CSC000163495 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.42 CCOC(=O)CCC1CCCCC1 CSC000170578 [0,0,0,1,0,0|0,0,0]=1 31 B13R1.42 CCOC(=O)CCN1CCNCC1 CSC011218831 [0,0,0,1,0,0|2,0,0]=3 32 B13R1.42 CCOC(=O)CCN1CCOCC1 CSC000177610 [0,0,0,1,0,0|2,0,0]=3 33 B13R1.464 CCNC(=O)N1CCCCC1CC CSC000163204 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.470 CCNC(=O)NC1CCCCC1C CSC000163756 [0,0,0,1,0,0|2,0,0]=3 35 B13R1.470 CCOC(=O)CN1CCCCC1C CSC000227853 [0,0,0,1,0,0|1,0,0]=2 36 B13R1.1464 CCOC(=O)C1CCCCCCC1 CSC012002886 [0,0,0,1,0,0|0,0,0]=1 37 B13R1.1575 CCNC(=O)NC1CCCCCC1 CSC000163668 [0,0,0,1,0,0|2,0,0]=3 38 B13R1.1575 CCOC(=O)CC1CCCCCC1 CSC011830452 [0,0,0,1,0,0|0,0,0]=1 39 B13R1.1575 CCOC(=O)CN1CCCCCC1 CSC000223717 [0,0,0,1,0,0|1,0,0]=2 40 B13R1.1575 COCC(=O)NC1CCCCCC1 CSC000161076 [0,0,0,1,0,0|3,0,0]=4 41 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [2,0,0,0,0,0|0,0,0]=2 42 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [2,0,0,0,0,0|2,0,0]=4 43 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [2,0,0,0,0,0|2,0,0]=4 45 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [2,0,0,0,0,0|0,0,0]=2 46 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [2,0,0,0,0,0|2,0,0]=4 47 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [2,0,0,0,0,0|2,0,0]=4 48 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [2,0,0,0,0,0|2,0,0]=4 49 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [2,0,0,0,0,0|1,0,0]=3 50 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [2,0,0,0,0,0|2,0,0]=4 51 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [2,0,0,0,0,0|1,0,0]=3 52 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [2,0,0,0,0,0|2,0,0]=4 53 B12R0.5 CCCCCCCCCSCCO CSC011304840 [1,1,0,0,0,0|0,1,1]=4 54 B12R0.5 CCCCCCSCCOCCO CSC019110770 [1,1,0,0,0,0|1,0,1]=4 55 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [1,1,0,0,0,0|0,0,2]=4 56 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [1,1,0,0,0,0|2,0,0]=4 57 B12R0.4 CCCCCCNC(=O)CC(C)C CSC017395171 [1,1,0,0,0,0|2,0,0]=4 58 B12R0.4 CCCCCCOC(=O)CC(C)C CSC000047473 [1,1,0,0,0,0|2,0,0]=4 59 B12R0.285 CCOC(=O)CCCC(=O)OCC CSC000034583 [1,1,0,0,0,0|1,0,1]=4 60 B12R0.183 COC(=O)CCCCCC(=O)OC CSC000032064 [1,1,0,0,0,0|1,0,1]=4 61 B12R0.251 CCCCCCCOC(=O)C(C)C CSC000053816 [1,1,0,0,0,0|1,0,0]=3 62 B14R0.1 CCOC(=O)CCCCCC(=O)OCC CSC000034585 [0,2,0,0,0,0|0,0,1]=3 63 B14R0.1 CCOC(=O)CCCSCC(=O)OCC CSC000041369 [0,2,0,0,0,0|1,0,1]=4 64 B14R0.163 CCOC(=O)CCCNC(=O)CCCN CSC012108132 [0,2,0,0,0,0|1,0,1]=4 65 B14R0.163 CCOC(=O)CCCNC(=O)CCNC CSC012108138 [0,2,0,0,0,0|1,0,1]=4 66 B14R0.181 CCCCCCCCNC(=O)C(=O)NC CSC010776666 [0,2,0,0,0,0|2,0,0]=4 67 B14R0.493 CCCCCCCCCC(=O)NCCO CSC011221072 [0,2,0,0,0,0|1,0,0]=3 68 B14R0.493 CCCCCCCCNC(=O)CCCC CSC010535684 [0,2,0,0,0,0|1,0,0]=3 69 B14R0.493 CCCCOCCCNC(=O)CCCN CSC011598423 [0,2,0,0,0,0|2,0,0]=4 70 B14R0.493 CCCCOCCCNC(=O)CCNC CSC013471386 [0,2,0,0,0,0|2,0,0]=4 71 B14R0.11 CCCOC(=O)CCCC(=O)OCCC CSC000054130 [0,2,0,0,0,0|1,0,1]=4 72 B14R0.2489 CCCCCCCCS(=O)(=O)CCCO CSC030155169 [0,2,0,0,0,0|2,0,0]=4 73 B14R0.75 CCCCC(C)NCCC(=O)NC(C)C CSC011716099 [0,2,0,0,0,0|2,0,0]=4 74 B14R0.33 CCOC(=O)CCC(C)CC(=O)OCC CSC000054115 [0,2,0,0,0,0|1,0,1]=4 75 B14R0.94 CC(C)(C)OC(=O)NCCCCCCO CSC011215889 [0,2,0,0,0,0|2,0,0]=4 76 B14R0.94 CCCNCCCNC(=O)OC(C)(C)C CSC012354482 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.8 CCCCCCN1CCOCC1 CSC000224586 [1,0,0,1,0,0|1,0,1]=4 78 B12R1.32 CCCC(=O)OC1CCCCC1 CSC000026545 [1,0,0,1,0,0|2,0,0]=4 79 B12R1.32 CCOC(=O)CC1=CCCCC1 CSC011899744 [1,0,0,1,0,0|0,0,2]=4 80 B12R1.32 CCOC(=O)CC1CCCCC1 CSC000171474 [1,0,0,1,0,0|0,0,0]=2 81 B12R1.32 CCOC(=O)CC1CCOCC1 CSC011218914 [1,0,0,1,0,0|1,0,0]=3 82 B12R1.32 CCOC(=O)CN1CCOCC1 CSC000188100 [1,0,0,1,0,0|2,0,0]=4 83 B12R1.32 CCOC(=O)CN1CCSCC1 CSC011247055 [1,0,0,1,0,0|2,0,0]=4 84 B12R1.51 CCNC(=O)CCC1CCCC1 CSC000160163 [1,0,0,1,0,0|1,0,0]=3 85 B12R1.51 CCOC(=O)CCC1CCCC1 CSC000170312 [1,0,0,1,0,0|0,0,0]=2 86 B12R1.1564 CCNC(=O)C1CCCCCC1 CSC011750764 [1,0,0,1,0,0|1,0,0]=3 87 B12R1.1564 CCOC(=O)C1CCCCCC1 CSC011707495 [1,0,0,1,0,0|0,0,0]=2 88 B12R1.27 CCC(=O)NCC1CCNCC1 CSC011207001 [1,0,0,1,0,0|2,0,0]=4 89 B12R1.27 CNC(=O)CCC1CCCNC1 CSC011533958 [1,0,0,1,0,0|2,0,0]=4 90 B12R1.27 COC(=O)CCN1CCOCC1 CSC000177612 [1,0,0,1,0,0|2,0,0]=4 91 B12R1.27 COC(=O)CSC1CCCCC1 CSC000173156 [1,0,0,1,0,0|1,0,0]=3 92 B12R1.27 NNC(=O)CCC1CCCCC1 CSC000186192 [1,0,0,1,0,0|2,0,0]=4 93 B12R1.77 CCC1CCCCC1C(=O)NC CSC015914215 [1,0,0,1,0,0|1,0,0]=3 94 B12R1.353 CNC(=O)NCC1CCCC1C CSC014234560 [1,0,0,1,0,0|2,0,0]=4 95 B12R1.371 CCC(=O)NC1CCCCC1C CSC000161644 [1,0,0,1,0,0|1,0,0]=3 96 B12R1.371 CNC(=O)CC1CCCCC1C CSC015366596 [1,0,0,1,0,0|1,0,0]=3 97 B12R1.371 CNC(=O)NC1CCCCC1C CSC000235251 [1,0,0,1,0,0|2,0,0]=4 98 B12R1.371 COC(=O)CN1CCCCC1C CSC000227854 [1,0,0,1,0,0|1,0,0]=3 99 B12R1.477 COC(=O)CCCN1CCCC1 CSC011293840 [1,0,0,1,0,0|1,0,0]=3 100 B12R1.1659 COC(=O)C1CCCCCCC1 CSC012181116 [1,0,0,1,0,0|0,0,0]=2 101 B12R1.1748 CCC(=O)NC1CCCCCC1 CSC000161071 [1,0,0,1,0,0|1,0,0]=3 102 B12R1.1748 CCC(=O)NC1CCCOCC1 CSC015415222 [1,0,0,1,0,0|2,0,0]=4 103 B12R1.1748 CNC(=O)CC1CCCCCC1 CSC012651756 [1,0,0,1,0,0|1,0,0]=3 104 B12R1.1748 CNC(=O)CC1CCCNCC1 CSC015248807 [1,0,0,1,0,0|2,0,0]=4 105 B12R1.1748 CNC(=O)NC1CCCCCC1 CSC000235309 [1,0,0,1,0,0|2,0,0]=4 106 B12R1.1748 COC(=O)CN1CCCCCC1 CSC000223722 [1,0,0,1,0,0|1,0,0]=3 107 B14R1.263 CCOC(=O)C1CCCCN1CCN CSC013030127 [0,1,0,1,0,0|1,0,0]=3 108 B14R1.273 CCOC(=O)CN1CCCC1CNC CSC012985980 [0,1,0,1,0,0|1,0,0]=3 109 B14R1.598 CCOC(=O)CCN1CCNCC1C CSC010951974 [0,1,0,1,0,0|1,0,0]=3 110 B14R1.609 CCNC(=O)NCCOC1CCCC1 CSC011406892 [0,1,0,1,0,0|2,0,0]=4 111 B14R1.619 CCNC(=O)N1CCCCCC1CC CSC012140202 [0,1,0,1,0,0|1,0,0]=3 112 B14R1.965 CCOC(=O)CN1CCCCC1CC CSC000224124 [0,1,0,1,0,0|0,0,0]=2 113 B14R1.965 CCOC(=O)CN1CCCCC1CN CSC011552762 [0,1,0,1,0,0|1,0,0]=3 114 B14R1.6816 CCCCCCCCNC(=O)C1CC1 CSC013040397 [0,1,0,1,0,0|1,0,0]=3 115 B14R1.7146 CCOC(=O)CCN1CCCNCC1 CSC011472474 [0,1,0,1,0,0|1,0,0]=3 116 B14R1.7343 CCOC(=O)CN1CCCCCCC1 CSC000227866 [0,1,0,1,0,0|0,0,0]=2 117 B14R1.7343 CNCC(=O)NC1CCCCCCC1 CSC000168097 [0,1,0,1,0,0|2,0,0]=4 118 B14R1.7343 COCC(=O)NC1CCCCCCC1 CSC000160972 [0,1,0,1,0,0|2,0,0]=4 119 B14R1.156 C=CCOC(=O)CCC1CCCCC1 CSC000006458 [0,1,0,1,0,0|0,0,1]=3 120 B14R1.156 CCOCC(=O)NCC1CCCNC1 CSC011238954 [0,1,0,1,0,0|2,0,0]=4 121 B14R1.156 CCOCC(=O)NCC1CCOCC1 CSC011646848 [0,1,0,1,0,0|2,0,0]=4 122 B14R1.156 NCCNC(=O)CCC1CCCCO1 CSC011956695 [0,1,0,1,0,0|2,0,0]=4 123 B14R1.156 NCCNC(=O)CCC1CCOCC1 CSC057458825 [0,1,0,1,0,0|2,0,0]=4 124 B14R1.177 CCCNC(=O)CSCC1CCCC1 CSC027564156 [0,1,0,1,0,0|2,0,0]=4 125 B14R1.177 CCOCC(=O)NCCC1CCNC1 CSC011888966 [0,1,0,1,0,0|2,0,0]=4 126 B14R1.915 CCC1CCCC1NC(=O)NCCO CSC037146103 [0,1,0,1,0,0|2,0,0]=4 127 B14R1.915 CCOCC(=O)NC1CCCC1CN CSC011781728 [0,1,0,1,0,0|2,0,0]=4 128 B14R1.916 CCOCC(=O)NCC1CCCC1O CSC012367635 [0,1,0,1,0,0|2,0,0]=4 129 B14R1.939 CCC1OCCCC1C(=O)NCCO CSC052245440 [0,1,0,1,0,0|2,0,0]=4 130 B14R1.939 CCOCC(=O)N1CCCCC1CN CSC011552691 [0,1,0,1,0,0|2,0,0]=4 131 B14R1.943 CCCN1CCCC1C(=O)NCCO CSC060719116 [0,1,0,1,0,0|2,0,0]=4 132 B14R1.943 CCOCC(=O)N1CCCC1CNC CSC012930593 [0,1,0,1,0,0|2,0,0]=4 133 B14R1.946 CCOCC(=O)NC1CCCNC1C CSC012496511 [0,1,0,1,0,0|2,0,0]=4 134 B14R1.946 CCOCC(=O)N[C@H]1CCCC[C@@H]1N [0,1,0,1,0,0|2,0,0]=4 135 B14R1.2596 CCCNC(=O)NC1CCCCCC1 CSC000163667 [0,1,0,1,0,0|2,0,0]=4 136 B14R1.502 CCOC(=O)CCN1CCC(CC1)C CSC000178058 [0,1,0,1,0,0|1,0,0]=3 137 B14R1.502 CCOC(=O)CCN1CCN(CC1)C CSC000177411 [0,1,0,1,0,0|2,0,0]=4 138 B14R1.962 CCOC(=O)CN1CCCC(C1)CN CSC011552416 [0,1,0,1,0,0|2,0,0]=4 139 B14R1.962 CCOC(=O)CN1CCCC(C1)NC CSC011696222 [0,1,0,1,0,0|2,0,0]=4 140 B14R1.32 CCOC(=O)CCN1CCCC(C1)N CSC011473523 [0,1,0,1,0,0|1,0,0]=3 141 B14R1.623 CCNC(=O)N1CCCCC1C(C)C CSC015772662 [0,1,0,1,0,0|2,0,0]=4 142 B14R1.950 CCOC(=O)CN1CC(NCC1C)C CSC012175389 [0,1,0,1,0,0|2,0,0]=4 143 B14R1.18788 CCCC(=O)N1CC(CCCC1C)C CSC048871260 [0,1,0,1,0,0|2,0,0]=4 144 B14R1.18788 CCNC(=O)N1CC(CCCC1C)C CSC048939299 [0,1,0,1,0,0|2,0,0]=4 145 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C CSC011247044 [0,1,0,1,0,0|1,0,0]=3 146 B14R1.471 CCOC(=O)C1CCCN(C1)CCN CSC011857578 [0,1,0,1,0,0|2,0,0]=4 147 B14R1.471 CCOC(=O)C1CCCN(C1)CCN CSC011857578 [0,1,0,1,0,0|2,0,0]=4 148 B14R1.471 CCOC(=O)[C@@H]1CCCN(C1)CCN CSC010584801 [0,1,0,1,0,0|2,0,0]=4 149 B14R1.3348 CCNC(=O)N(C)C1CCCCC1C CSC011350100 [0,1,0,1,0,0|2,0,0]=4 150 B14R1.10397 CCNC(=O)N(C)C1CCCCCC1 CSC000242394 [0,1,0,1,0,0|2,0,0]=4 151 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 CSC000216027 [0,1,0,1,0,0|1,0,0]=3 152 B14R1.10397 CCOC(=O)C(C)N1CCCNCC1 CSC011392307 [0,1,0,1,0,0|2,0,0]=4 153 B14R1.337 CC(C)NC(=O)NC1CCCCC1C CSC000241183 [0,1,0,1,0,0|2,0,0]=4 154 B14R1.840 CCC1CCCCN1C(=O)NC(C)C CSC011257026 [0,1,0,1,0,0|2,0,0]=4 155 B14R1.13081 CC(C)CC(=O)NC1CCCCCC1 CSC033805246 [0,1,0,1,0,0|2,0,0]=4 156 B14R1.13081 CC(C)NC(=O)NC1CCCCCC1 CSC000241185 [0,1,0,1,0,0|2,0,0]=4 157 B14R1.95 CCC1CCCCN1C(=O)N(C)CC CSC013615107 [0,1,0,1,0,0|2,0,0]=4 158 B14R1.1007 CCN(C)C(=O)NC1CCCCC1C CSC011743018 [0,1,0,1,0,0|2,0,0]=4 159 B14R1.2861 CCC(C)C(=O)NC1CCCCCC1 CSC046158184 [0,1,0,1,0,0|2,0,0]=4 160 B14R1.2861 CCN(C)C(=O)NC1CCCCCC1 CSC011743009 [0,1,0,1,0,0|2,0,0]=4 161 B14R2.836 CCNC(=O)C1CC12CCNCC2 CSC011979805 [0,0,0,2,0,0|2,0,0]=4 162 B14R2.9964 CCNC(=O)C1CC2CCC1CC2 CSC015215590 [0,0,0,2,0,0|1,0,0]=3 163 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 CSC011408491 [0,0,0,2,0,0|1,0,0]=3 164 B14R2.4621 CC1CCCCC1NC(=O)C2CC2 CSC000161645 [0,0,0,2,0,0|2,0,0]=4 165 B14R2.31843 O=C(NC1CCCCCC1)C2CC2 CSC000161072 [0,0,0,2,0,0|2,0,0]=4