0 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.140 CCCCNC(=O)NCCCC CSC000163428 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.140 CNCCCN(C)CCCNC CSC000033595 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.71 CCCCCCCSCCO CSC011304838 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.91 CCCCC(=O)NCCC#C CSC011979654 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [1,0,0,0,0,0|3,0,0]=4 9 B12R0.47 CCCCCOC(=O)CCCCC CSC000039363 [0,1,0,0,0,0|0,0,0]=1 10 B12R0.47 CCCCOCC(=O)OCCCC CSC011521784 [0,1,0,0,0,0|1,0,0]=2 11 B12R0.47 CCCSCC(=O)NCCCCN CSC056785808 [0,1,0,0,0,0|2,0,0]=3 12 B12R0.47 CCCSCC(=O)NCCCNC CSC057281946 [0,1,0,0,0,0|2,0,0]=3 13 B12R0.47 CCCSCC(=O)NCCNCC CSC057004965 [0,1,0,0,0,0|2,0,0]=3 14 B12R0.47 CNCCCC(=O)NCCCSC CSC011959069 [0,1,0,0,0,0|2,0,0]=3 15 B12R0.47 CNCCNC(=O)CCCCSC CSC057344774 [0,1,0,0,0,0|2,0,0]=3 16 B12R0.142 CCCSCC(=O)NCC(C)CN CSC056834817 [0,1,0,0,0,0|3,0,0]=4 17 B12R0.142 CCCSCC(=O)NCC(C)NC CSC057124566 [0,1,0,0,0,0|3,0,0]=4 18 B12R0.142 CNCCCC(=O)NCC(C)SC CSC013438381 [0,1,0,0,0,0|3,0,0]=4 19 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [0,1,0,0,0,0|1,0,0]=2 20 B12R0.233 CCCSCC(=O)NCCC(C)N CSC057012599 [0,1,0,0,0,0|2,0,0]=3 21 B12R0.648 CCCSCC(=O)N(C)CCNC CSC056657998 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.35 CCCCNC(=O)C1CCCC1 CSC016338987 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.35 COCCNC(=O)C1CCCC1 CSC016341372 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.35 OCCSCC(=O)N1CCCC1 CSC000205201 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.1414 CCCCNC1CCCCCC1 CSC000200676 [0,0,0,1,0,0|2,0,1]=4 26 B12R1.1414 CNCCCN1CCCCCC1 CSC000231118 [0,0,0,1,0,0|3,0,0]=4 27 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [0,0,0,1,0,0|3,0,0]=4 28 B9R0.45 CCCCCCSCCO CSC011304839 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.45 CCCCSCCOCC CSC000053094 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.45 CCSCCCCSCC CSC000116838 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.45 CSCCCCCCSC CSC000036278 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.5 CCCC(=O)NCCSC CSC000161292 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.5 CCCCCC(=O)OCC CSC000170156 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.5 CCCCNC(=O)CNC CSC000213093 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.5 CCCCNC(=O)COC CSC000159063 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.5 CCCCNC(=O)NCC CSC000163430 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.5 CCCCOC(=O)CCC CSC011212260 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.18 CCCCC(=O)OCCC CSC000169915 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.18 CCCCN(C)CCCC CSC000020957 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.18 CCCCS(=O)CCCC CSC000031468 [2,0,0,0,0,0|1,0,0]=3 41 B9R0.18 CCCNC(=O)NCCC CSC000163711 [2,0,0,0,0,0|2,0,0]=4 42 B11R0.3 CCCCCSCCOCCO CSC011997630 [1,1,0,0,0,0|2,0,0]=4 43 B11R0.3 CCCSCCCCSCCC CSC009990883 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [1,1,0,0,0,0|1,0,1]=4 45 B11R0.5 CCCNC(=O)NC(C)CCC CSC000163701 [1,1,0,0,0,0|2,0,0]=4 46 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [1,1,0,0,0,0|1,0,0]=3 47 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [1,1,0,0,0,0|1,0,1]=4 48 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [1,1,0,0,0,0|2,0,0]=4 49 B13R0.1 CC(C)OCCC(=O)NCCCCN CSC032427251 [0,2,0,0,0,0|2,0,0]=4 50 B13R0.1 CCCCOCC(=O)NCCC(C)N CSC057701552 [0,2,0,0,0,0|1,0,0]=3 51 B13R0.1 CCNCCNC(=O)CCOC(C)C CSC052934714 [0,2,0,0,0,0|2,0,0]=4 52 B13R0.1 CCOCCCC(=O)NCCC(C)N CSC012736621 [0,2,0,0,0,0|1,0,0]=3 53 B13R0.1 CNCCCNC(=O)CCOC(C)C CSC052510766 [0,2,0,0,0,0|2,0,0]=4 54 B13R0.1 COCCCCC(=O)NCCC(C)N CSC057078226 [0,2,0,0,0,0|1,0,0]=3 55 B13R0.1 COCCNCC(=O)NCCC(C)C CSC000212480 [0,2,0,0,0,0|2,0,0]=4 56 B13R0.1 CSCCCCC(=O)NCCC(C)N CSC056731239 [0,2,0,0,0,0|1,0,0]=3 57 B13R0.165 CCCCOCC(=O)NCCCCN CSC056632183 [0,2,0,0,0,0|1,0,0]=3 58 B13R0.165 CCCCOCC(=O)NCCCNC CSC056930622 [0,2,0,0,0,0|1,0,0]=3 59 B13R0.165 CCCCOCC(=O)NCCNCC CSC057789768 [0,2,0,0,0,0|1,0,0]=3 60 B13R0.165 CCNCCNC(=O)CCCCOC CSC056793023 [0,2,0,0,0,0|1,0,0]=3 61 B13R0.165 CCNCCNC(=O)CCCCSC CSC056808774 [0,2,0,0,0,0|1,0,0]=3 62 B13R0.165 CCNCCNC(=O)CCCOCC CSC012736602 [0,2,0,0,0,0|1,0,0]=3 63 B13R0.165 CCNCCNC(=O)COCCOC CSC012929474 [0,2,0,0,0,0|2,0,0]=4 64 B13R0.165 CCOCCCC(=O)NCCCCN CSC012735993 [0,2,0,0,0,0|1,0,0]=3 65 B13R0.165 CCOCCCC(=O)NCCCNC CSC012736227 [0,2,0,0,0,0|1,0,0]=3 66 B13R0.165 CCOCCNC(=O)CNCCOC CSC012539489 [0,2,0,0,0,0|2,0,0]=4 67 B13R0.165 CNCCCNC(=O)CCCCOC CSC057547277 [0,2,0,0,0,0|1,0,0]=3 68 B13R0.165 CNCCCNC(=O)CCCCSC CSC057490596 [0,2,0,0,0,0|1,0,0]=3 69 B13R0.165 COCCCNC(=O)CNCCOC CSC000176319 [0,2,0,0,0,0|2,0,0]=4 70 B13R0.165 COCCNCC(=O)NCCCSC CSC012539599 [0,2,0,0,0,0|2,0,0]=4 71 B13R0.165 CSCCCCC(=O)NCCCCN CSC057405296 [0,2,0,0,0,0|1,0,0]=3 72 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,2,0,0,0,0|1,0,1]=4 73 B13R0.188 CNCCCC(=O)NCCCC(C)C CSC011401939 [0,2,0,0,0,0|1,0,0]=3 74 B13R0.188 CNCCCC(=O)NCCCN(C)C CSC011357777 [0,2,0,0,0,0|2,0,0]=4 75 B13R0.188 CNCCNC(=O)CSCCC(C)C CSC057132263 [0,2,0,0,0,0|2,0,0]=4 76 B13R0.193 CCCC(O)CNC(=O)CCCNC CSC012932342 [0,2,0,0,0,0|1,0,0]=3 77 B13R0.193 CCCCCC(=O)NC[C@@H](C)NCC CSC017226045 [0,2,0,0,0,0|1,0,0]=3 78 B13R0.193 CCCOCC(=O)NC[C@@H](C)NCC CSC017637596 [0,2,0,0,0,0|2,0,0]=4 79 B13R0.193 CCCSCC(=O)NC[C@@H](C)NCC CSC057715723 [0,2,0,0,0,0|2,0,0]=4 80 B13R0.193 CCN[C@H](C)CNC(=O)CCCOC CSC018854460 [0,2,0,0,0,0|2,0,0]=4 81 B13R0.193 CCN[C@H](C)CNC(=O)CCOCC CSC019717366 [0,2,0,0,0,0|2,0,0]=4 82 B13R0.193 CNCCCC(=O)NCC(C)COC CSC011583653 [0,2,0,0,0,0|2,0,0]=4 83 B13R0.194 CCC(O)CCNC(=O)CCCNC CSC012931782 [0,2,0,0,0,0|1,0,0]=3 84 B13R0.194 CCCCCC(=O)NCCC(=O)NC CSC026851988 [0,2,0,0,0,0|1,0,1]=4 85 B13R0.195 CNCCCC(=O)NC(C)CCOC CSC012113187 [0,2,0,0,0,0|2,0,0]=4 86 B13R0.330 CCCC(C)CC(=O)NCCCCN CSC057201905 [0,2,0,0,0,0|1,0,0]=3 87 B13R0.330 CCCC(C)CC(=O)NCCCNC CSC057049093 [0,2,0,0,0,0|1,0,0]=3 88 B13R0.330 CCCC(C)CC(=O)NCCNCC CSC057681071 [0,2,0,0,0,0|1,0,0]=3 89 B13R0.338 CCCCCC(=O)NCCNCCC CSC011723546 [0,2,0,0,0,0|0,0,0]=2 90 B13R0.338 CCCCCCOC(=O)CCCCC CSC000038516 [0,2,0,0,0,0|0,0,0]=2 91 B13R0.338 CCCCSCCC(=O)NCCNC CSC057742924 [0,2,0,0,0,0|2,0,0]=4 92 B13R0.338 CCCNCCNC(=O)CCCOC CSC012736607 [0,2,0,0,0,0|1,0,0]=3 93 B13R0.338 CCCNCCNC(=O)CCOCC CSC011723530 [0,2,0,0,0,0|1,0,0]=3 94 B13R0.338 CCCNCCNC(=O)COCCC CSC013039466 [0,2,0,0,0,0|1,0,0]=3 95 B13R0.338 CCCNCCNC(=O)CSCCC CSC057530867 [0,2,0,0,0,0|1,0,0]=3 96 B13R0.338 CCOCCCNC(=O)CCCNC CSC011357780 [0,2,0,0,0,0|1,0,0]=3 97 B13R0.338 CNCCCC(=O)NCCCCOC CSC011556670 [0,2,0,0,0,0|1,0,0]=3 98 B13R0.398 CCCCOC(C)C(=O)NCCNC CSC056769168 [0,2,0,0,0,0|2,0,0]=4 99 B13R0.398 CCCCSC(C)C(=O)NCCNC CSC057609805 [0,2,0,0,0,0|2,0,0]=4 100 B13R0.398 CNCCCC(=O)N(C)CCCOC CSC011785894 [0,2,0,0,0,0|2,0,0]=4 101 B13R0.1170 CCCCOCC(=O)NCC(C)CN CSC056834798 [0,2,0,0,0,0|2,0,0]=4 102 B13R0.1170 CCOCCCC(=O)NCC(C)CN CSC012735999 [0,2,0,0,0,0|2,0,0]=4 103 B13R0.1170 CCOCCCC(=O)NCC(C)NC CSC014026485 [0,2,0,0,0,0|2,0,0]=4 104 B13R0.1170 CNC(C)CNC(=O)CCCCSC CSC057167224 [0,2,0,0,0,0|2,0,0]=4 105 B13R0.1170 COCCCCC(=O)NCC(C)CN CSC057268593 [0,2,0,0,0,0|2,0,0]=4 106 B13R0.1171 CCCCN(C)C(=O)CNCCOC CSC000223842 [0,2,0,0,0,0|2,0,0]=4 107 B13R0.1171 CCCCOCC(=O)N(C)CCNC CSC057607754 [0,2,0,0,0,0|2,0,0]=4 108 B13R0.1171 CCOCCCC(=O)N(C)CCNC CSC012736220 [0,2,0,0,0,0|2,0,0]=4 109 B13R0.1171 CCOCCNC(=O)[C@@H](N)CCSC CSC011423716 [0,2,0,0,0,0|2,0,0]=4 110 B13R0.1171 CNCCN(C)C(=O)CCCCOC CSC056910255 [0,2,0,0,0,0|2,0,0]=4 111 B13R0.1171 COCCCNC(=O)[C@@H](N)CCSC CSC011423296 [0,2,0,0,0,0|2,0,0]=4 112 B13R0.1171 CSCCCNC(=O)[C@@H](N)CCSC CSC011959081 [0,2,0,0,0,0|2,0,0]=4 113 B13R0.151 CCC(C)CN(C)C(=O)CCCNC CSC011357840 [0,2,0,0,0,0|2,0,0]=4 114 B13R0.385 CCCCCC(=O)NCC(F)(F)CN CSC013652872 [0,2,0,0,0,0|2,0,0]=4 115 B13R0.426 CCC(CC)CNC(=O)CCCNC CSC012931043 [0,2,0,0,0,0|2,0,0]=4 116 B13R0.1293 CCC(C)C(C)NC(=O)CCCNC CSC011482545 [0,2,0,0,0,0|2,0,0]=4 117 B13R0.1521 CCCC(C)CC(=O)NCC(C)CN CSC057420712 [0,2,0,0,0,0|2,0,0]=4 118 B13R0.1521 CCCC(C)CC(=O)NCC(C)NC CSC057327939 [0,2,0,0,0,0|2,0,0]=4 119 B13R0.139 CNCCCC(=O)N(C)CCC(C)O CSC012933093 [0,2,0,0,0,0|2,0,0]=4 120 B13R0.196 CNCCNC(=O)CCCC(C)(C)C CSC056996427 [0,2,0,0,0,0|2,0,0]=4 121 B13R0.331 CCCC(C)CC(=O)NCCC(C)N CSC057706960 [0,2,0,0,0,0|1,0,0]=3 122 B13R0.333 CNCCNC(=O)CC(C)CC(C)C CSC057361976 [0,2,0,0,0,0|2,0,0]=4 123 B13R0.345 CSCCC(N)C(=O)NCCC(C)C CSC019357268 [0,2,0,0,0,0|2,0,0]=4 124 B13R0.1398 CC(C)CCNC(=O)NCCC(C)O CSC060064664 [0,2,0,0,0,0|2,0,0]=4 125 B13R0.1398 CC(C)OCCC(=O)NCCC(C)N CSC045734729 [0,2,0,0,0,0|2,0,0]=4 126 B13R0.39 CCCC(C)CC(=O)N(C)CCNC CSC057227742 [0,2,0,0,0,0|2,0,0]=4 127 B13R0.823 CCCC(C)(C)NC(=O)CCCNC CSC012931697 [0,2,0,0,0,0|2,0,0]=4 128 B13R0.1289 CCCC(CC)NC(=O)CCCNC CSC011608215 [0,2,0,0,0,0|2,0,0]=4 129 B13R0.1281 CCCCC(CC)C(=O)NCCNC CSC011722987 [0,2,0,0,0,0|2,0,0]=4 130 B13R0.1281 CCCCN(CC)C(=O)CCCNC CSC011357760 [0,2,0,0,0,0|2,0,0]=4 131 B13R0.1281 CCCCNC(=O)N(CC)CCCC CSC000178667 [0,2,0,0,0,0|2,0,0]=4 132 B13R0.1281 CCCCOC(=O)C(CC)CCCC CSC011216683 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.28 CCCCCN1CCNCC1 CSC011207891 [1,0,0,1,0,0|2,0,0]=4 134 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [1,0,0,1,0,0|2,0,0]=4 135 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [1,0,0,1,0,0|2,0,0]=4 136 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [1,0,0,1,0,0|1,0,1]=4 137 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [1,0,0,1,0,0|1,0,0]=3 138 B11R1.29 CCCNC(=O)C1CCCO1 CSC000161660 [1,0,0,1,0,0|2,0,0]=4 139 B11R1.29 CCCNC(=O)[C@@H]1CCCN1 CSC011422784 [1,0,0,1,0,0|2,0,0]=4 140 B11R1.29 CNCCC(=O)N1CCCC1 CSC000232456 [1,0,0,1,0,0|2,0,0]=4 141 B11R1.284 CCCNC(=O)NC1CCC1 CSC011909585 [1,0,0,1,0,0|2,0,0]=4 142 B13R1.24 CCCCCC(=O)N1CCNCC1 CSC011219330 [0,1,0,1,0,0|1,0,0]=3 143 B13R1.24 CCCCNC(=O)C1CCCCC1 CSC000002838 [0,1,0,1,0,0|1,0,0]=3 144 B13R1.24 CCCCNC(=O)C1CCCNC1 CSC011209422 [0,1,0,1,0,0|1,0,0]=3 145 B13R1.24 CCCCNC(=O)N1CCOCC1 CSC000163404 [0,1,0,1,0,0|2,0,0]=4 146 B13R1.24 CCCSCC(=O)N1CCNCC1 CSC011519579 [0,1,0,1,0,0|2,0,0]=4 147 B13R1.24 CNCCNC(=O)C1CCSCC1 CSC016514063 [0,1,0,1,0,0|2,0,0]=4 148 B13R1.24 COCCNC(=O)C1CCCCC1 CSC016349128 [0,1,0,1,0,0|2,0,0]=4 149 B13R1.24 OCCCNC(=O)C1CCCCC1 CSC000191951 [0,1,0,1,0,0|2,0,0]=4 150 B13R1.24 OCCSCC(=O)N1CCCCC1 CSC000205211 [0,1,0,1,0,0|2,0,0]=4 151 B13R1.48 CCCCCNC(=O)C1CCCC1 CSC019260143 [0,1,0,1,0,0|0,0,0]=2 152 B13R1.48 COCCCNC(=O)C1CCCC1 CSC020447156 [0,1,0,1,0,0|1,0,0]=3 153 B13R1.48 COCCNCC(=O)N1CCCC1 CSC000212474 [0,1,0,1,0,0|2,0,0]=4 154 B13R1.48 CSCCCNC(=O)C1CCCN1 CSC011959067 [0,1,0,1,0,0|2,0,0]=4 155 B13R1.48 CSCCCNC(=O)C1CCNC1 CSC011959058 [0,1,0,1,0,0|2,0,0]=4 156 B13R1.156 CCCCNC(=O)NC1CCCC1 CSC000163630 [0,1,0,1,0,0|1,0,0]=3 157 B13R1.156 CCCSCC(=O)NC1CCNC1 CSC056709193 [0,1,0,1,0,0|2,0,0]=4 158 B13R1.728 CCCSCC(=O)NCC1CNC1 CSC057134206 [0,1,0,1,0,0|2,0,0]=4 159 B13R1.23 CCCSCC(=O)N1CCC(C1)N CSC057373215 [0,1,0,1,0,0|2,0,0]=4 160 B13R1.23 CCCSCC(=O)N1CC[C@@H](C1)N CSC057208885 [0,1,0,1,0,0|2,0,0]=4 161 B13R1.23 CCCSCC(=O)N1CC[C@H](C1)N CSC056908934 [0,1,0,1,0,0|2,0,0]=4 162 B13R1.342 CC(C)CCNC(=O)C1CCCC1 CSC016365727 [0,1,0,1,0,0|1,0,0]=3 163 B13R1.342 CN(C)CCNC(=O)C1CCCC1 CSC016361413 [0,1,0,1,0,0|2,0,0]=4 164 B13R1.166 CSCCC(N)C(=O)N1CCCC1 CSC000030919 [0,1,0,1,0,0|2,0,0]=4 165 B13R1.3553 CSCC[C@H](N)C(=O)NC1CC1C CSC011669759 [0,1,0,1,0,0|2,0,0]=4 166 B13R1.3554 CSCC[C@H](N)C(=O)NC1CCC1 CSC011664474 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.195 CC1CC1CN(C)C2CCCC2 CSC015258894 [0,0,0,2,0,0|2,0,0]=4 168 B13R2.445 O=C(NC1CCC1)[C@@H]2CCNC2 CSC010564966 [0,0,0,2,0,0|2,0,0]=4 169 B13R2.445 O=C(NC1CCC1)[C@H]2CCNC2 CSC017014467 [0,0,0,2,0,0|2,0,0]=4 170 B13R2.674 O=C(C1CCCC1)N2CCCC2 CSC000158176 [0,0,0,2,0,0|1,0,0]=3 171 B13R2.674 O=C(C1CCCO1)N2CCCC2 CSC000158115 [0,0,0,2,0,0|2,0,0]=4 172 B13R2.674 O=C(C1CCOC1)N2CCCC2 CSC011569547 [0,0,0,2,0,0|2,0,0]=4 173 B13R2.674 O=C([C@@H]1CCNC1)N2CCCC2 CSC009952826 [0,0,0,2,0,0|2,0,0]=4 174 B13R2.674 O=C([C@H]1CCNC1)N2CCCC2 CSC010564965 [0,0,0,2,0,0|2,0,0]=4