0 B12R0.47 CCCCCOC(=O)CCCCC CSC000039363 [0,0,0,0,0,0|1,0,0]=1 1 B12R0.47 CCCCOCC(=O)OCCCC CSC011521784 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.47 CCCSCC(=O)NCCCCN CSC056785808 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.47 CCCSCC(=O)NCCCNC CSC057281946 [0,0,0,0,0,0|3,0,0]=3 4 B12R0.47 CCCSCC(=O)NCCNCC CSC057004965 [0,0,0,0,0,0|4,0,0]=4 5 B12R0.47 CNCCCC(=O)NCCCSC CSC011959069 [0,0,0,0,0,0|2,0,0]=2 6 B12R0.47 CNCCNC(=O)CCCCSC CSC057344774 [0,0,0,0,0,0|3,0,0]=3 7 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [1,0,0,0,0,0|3,0,0]=4 8 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [1,0,0,0,0,0|1,0,0]=2 9 B11R0.81 CCCNC(=O)NCCCOC CSC000163483 [1,0,0,0,0,0|2,1,0]=4 10 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [1,0,0,0,0,0|0,0,0]=1 11 B11R0.140 CCCCNC(=O)NCCCC CSC000163428 [1,0,0,0,0,0|2,0,0]=3 12 B13R0.1 CNCCCNC(=O)CCOC(C)C CSC052510766 [0,1,0,0,0,0|3,0,0]=4 13 B13R0.1 COCCCCC(=O)NCCC(C)N CSC057078226 [0,1,0,0,0,0|2,1,0]=4 14 B13R0.1 CSCCCCC(=O)NCCC(C)N CSC056731239 [0,1,0,0,0,0|2,0,0]=3 15 B13R0.165 CCCCOCC(=O)NCCCCN CSC056632183 [0,1,0,0,0,0|3,0,0]=4 16 B13R0.165 CCCCOCC(=O)NCCCNC CSC056930622 [0,1,0,0,0,0|2,0,0]=3 17 B13R0.165 CCCCOCC(=O)NCCNCC CSC057789768 [0,1,0,0,0,0|3,0,0]=4 18 B13R0.165 CCNCCNC(=O)CCCCOC CSC056793023 [0,1,0,0,0,0|2,1,0]=4 19 B13R0.165 CCNCCNC(=O)CCCCSC CSC056808774 [0,1,0,0,0,0|2,0,0]=3 20 B13R0.165 CCNCCNC(=O)CCCOCC CSC012736602 [0,1,0,0,0,0|3,0,0]=4 21 B13R0.165 CCOCCCC(=O)NCCCCN CSC012735993 [0,1,0,0,0,0|3,0,0]=4 22 B13R0.165 CCOCCCC(=O)NCCCNC CSC012736227 [0,1,0,0,0,0|2,0,0]=3 23 B13R0.165 CNCCCNC(=O)CCCCOC CSC057547277 [0,1,0,0,0,0|2,0,0]=3 24 B13R0.165 CNCCCNC(=O)CCCCSC CSC057490596 [0,1,0,0,0,0|2,0,0]=3 25 B13R0.165 COCCCNC(=O)CNCCOC CSC000176319 [0,1,0,0,0,0|2,1,0]=4 26 B13R0.165 COCCNCC(=O)NCCCSC CSC012539599 [0,1,0,0,0,0|2,0,0]=3 27 B13R0.165 CSCCCCC(=O)NCCCCN CSC057405296 [0,1,0,0,0,0|2,0,0]=3 28 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,1,0,0,0,0|3,0,0]=4 29 B13R0.188 CNCCCC(=O)NCCCC(C)C CSC011401939 [0,1,0,0,0,0|3,0,0]=4 30 B13R0.188 CNCCCC(=O)NCCCN(C)C CSC011357777 [0,1,0,0,0,0|3,0,0]=4 31 B13R0.193 CCCC(O)CNC(=O)CCCNC CSC012932342 [0,1,0,0,0,0|3,0,0]=4 32 B13R0.193 CCCCCC(=O)NC[C@@H](C)NCC CSC017226045 [0,1,0,0,0,0|3,0,0]=4 33 B13R0.193 CNCCCC(=O)NCC(C)COC CSC011583653 [0,1,0,0,0,0|2,1,0]=4 34 B13R0.194 CCC(O)CCNC(=O)CCCNC CSC012931782 [0,1,0,0,0,0|3,0,0]=4 35 B13R0.194 CCCCCC(=O)NCCC(=O)NC CSC026851988 [0,1,0,0,0,0|2,0,1]=4 36 B13R0.195 CNCCCC(=O)NC(C)CCOC CSC012113187 [0,1,0,0,0,0|2,1,0]=4 37 B13R0.330 CCCC(C)CC(=O)NCCCCN CSC057201905 [0,1,0,0,0,0|3,0,0]=4 38 B13R0.330 CCCC(C)CC(=O)NCCCNC CSC057049093 [0,1,0,0,0,0|2,0,0]=3 39 B13R0.330 CCCC(C)CC(=O)NCCNCC CSC057681071 [0,1,0,0,0,0|3,0,0]=4 40 B13R0.338 CCCCCC(=O)NCCNCCC CSC011723546 [0,1,0,0,0,0|2,0,0]=3 41 B13R0.338 CCCCCCOC(=O)CCCCC CSC000038516 [0,1,0,0,0,0|1,0,0]=2 42 B13R0.338 CCCNCCNC(=O)CCCOC CSC012736607 [0,1,0,0,0,0|3,0,0]=4 43 B13R0.338 CCCNCCNC(=O)CCOCC CSC011723530 [0,1,0,0,0,0|3,0,0]=4 44 B13R0.338 CCCNCCNC(=O)COCCC CSC013039466 [0,1,0,0,0,0|3,0,0]=4 45 B13R0.338 CCCNCCNC(=O)CSCCC CSC057530867 [0,1,0,0,0,0|3,0,0]=4 46 B13R0.338 CCOCCCNC(=O)CCCNC CSC011357780 [0,1,0,0,0,0|2,1,0]=4 47 B13R0.338 CNCCCC(=O)NCCCCOC CSC011556670 [0,1,0,0,0,0|2,1,0]=4 48 B13R0.398 CNCCCC(=O)N(C)CCCOC CSC011785894 [0,1,0,0,0,0|2,1,0]=4 49 B13R0.1170 CNC(C)CNC(=O)CCCCSC CSC057167224 [0,1,0,0,0,0|3,0,0]=4 50 B13R0.1171 COCCCNC(=O)[C@@H](N)CCSC CSC011423296 [0,1,0,0,0,0|2,1,0]=4 51 B13R0.1171 CSCCCNC(=O)[C@@H](N)CCSC CSC011959081 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.6 CSCCCNC1CCCC(C1)C CSC011255946 [0,0,0,1,0,0|2,0,1]=4 53 B13R1.24 CCCCCC(=O)N1CCNCC1 CSC011219330 [0,0,0,1,0,0|3,0,0]=4 54 B13R1.24 CCCCNC(=O)C1CCCCC1 CSC000002838 [0,0,0,1,0,0|3,0,0]=4 55 B13R1.24 CCCCNC(=O)C1CCCNC1 CSC011209422 [0,0,0,1,0,0|3,0,0]=4 56 B13R1.48 CCCCCNC(=O)C1CCCC1 CSC019260143 [0,0,0,1,0,0|2,0,0]=3 57 B13R1.48 COCCCNC(=O)C1CCCC1 CSC020447156 [0,0,0,1,0,0|1,1,0]=3 58 B13R1.48 CSCCCNC(=O)C1CCCN1 CSC011959067 [0,0,0,1,0,0|2,0,0]=3 59 B13R1.48 CSCCCNC(=O)C1CCNC1 CSC011959058 [0,0,0,1,0,0|2,0,0]=3 60 B13R1.156 CCCCNC(=O)NC1CCCC1 CSC000163630 [0,0,0,1,0,0|3,0,0]=4 61 B13R1.156 CCCSCC(=O)NC1CCNC1 CSC056709193 [0,0,0,1,0,0|3,0,0]=4 62 B13R1.728 CCCSCC(=O)NCC1CNC1 CSC057134206 [0,0,0,1,0,0|3,0,0]=4 63 B13R1.1887 CSCCCNC1CCCCCC1 CSC000207776 [0,0,0,1,0,0|2,0,1]=4 64 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [2,0,0,0,0,0|1,0,0]=3 66 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [2,0,0,0,0,0|0,0,2]=4 67 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [2,0,0,0,0,0|0,0,0]=2 68 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [2,0,0,0,0,0|2,0,0]=4 69 B12R0.95 CCCCC(=O)NCCCN(C)C CSC000024829 [1,1,0,0,0,0|2,0,0]=4 70 B12R0.114 CCCC(N)C(=O)NCCCSC CSC011959046 [1,1,0,0,0,0|1,0,0]=3 71 B12R0.114 CNCC(C)C(=O)NCCCSC CSC012525778 [1,1,0,0,0,0|2,0,0]=4 72 B12R0.255 CSCCCNC(=O)NC[C@@H](C)O CSC019711513 [1,1,0,0,0,0|2,0,0]=4 73 B12R0.142 CNCCCC(=O)NCC(C)SC CSC013438381 [1,1,0,0,0,0|2,0,0]=4 74 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [1,1,0,0,0,0|0,0,0]=2 75 B12R0.233 CCCSCC(=O)NCCC(C)N CSC057012599 [1,1,0,0,0,0|2,0,0]=4 76 B14R0.200 CNCCCNC(=O)CCCC(C)(C)C CSC057026159 [0,2,0,0,0,0|2,0,0]=4 77 B14R0.389 CNCCCNC(=O)CC(C)CC(C)C CSC057775208 [0,2,0,0,0,0|2,0,0]=4 78 B14R0.145 CCCCOCC(=O)NCCNCCC CSC056961023 [0,2,0,0,0,0|2,0,0]=4 79 B14R0.145 CCCCSCCC(=O)NCCCNC CSC056774530 [0,2,0,0,0,0|2,0,0]=4 80 B14R0.145 CCCNCCNC(=O)CCCCOC CSC057310538 [0,2,0,0,0,0|1,1,0]=4 81 B14R0.145 CCCNCCNC(=O)CCCCSC CSC056804169 [0,2,0,0,0,0|1,0,0]=3 82 B14R0.145 CCCNCCNC(=O)CCCOCC CSC012736605 [0,2,0,0,0,0|2,0,0]=4 83 B14R0.145 CNCCCNC(=O)CCOCCOC CSC057384534 [0,2,0,0,0,0|2,0,0]=4 84 B14R0.199 CCN[C@H](C)CNC(=O)CCCCSC CSC057407922 [0,2,0,0,0,0|2,0,0]=4 85 B14R0.2224 CNCCCNC(=O)CSCCC(C)C CSC057555913 [0,2,0,0,0,0|2,0,0]=4 86 B14R0.2256 CCCCOC(C)C(=O)NCCCNC CSC057230248 [0,2,0,0,0,0|2,0,0]=4 87 B14R0.2256 CCCCSC(C)C(=O)NCCCNC CSC056623050 [0,2,0,0,0,0|2,0,0]=4 88 B14R0.454 CCCCCC(=O)OCCN(CC)CC CSC000026578 [0,2,0,0,0,0|2,0,0]=4 89 B14R0.176 CCCCCC(=O)NC(CN)CCCC CSC012816345 [0,2,0,0,0,0|2,0,0]=4 90 B14R0.474 CNCCCC(=O)N(C)C(C)CCSC CSC012933288 [0,2,0,0,0,0|2,0,0]=4 91 B14R0.1444 CCSCCC(C)NC(=O)CCCNC CSC012933037 [0,2,0,0,0,0|2,0,0]=4 92 B14R0.73 CCCNCCNC(=O)CC(C)CCC CSC056935670 [0,2,0,0,0,0|2,0,0]=4 93 B14R0.179 CCCCCC(=O)NCCNCCOC CSC013141304 [0,2,0,0,0,0|1,1,0]=4 94 B14R0.2222 CCCCC(CC)C(=O)NCCCNC CSC011323387 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.35 CCCCNC(=O)C1CCCC1 CSC016338987 [1,0,0,1,0,0|1,0,0]=3 96 B12R1.35 COCCNC(=O)C1CCCC1 CSC016341372 [1,0,0,1,0,0|1,1,0]=4 97 B14R1.37 CSCCCCC(=O)N1CC[C@H](C1)N CSC057216381 [0,1,0,1,0,0|2,0,0]=4 98 B14R1.3683 COCCCNC(=O)NCC1CC1C CSC059664425 [0,1,0,1,0,0|1,1,0]=4 99 B14R1.3685 CNCCCNC(=O)COCC1CC1 CSC057791145 [0,1,0,1,0,0|2,0,0]=4 100 B14R1.3685 COCCCNC(=O)CNCC1CC1 CSC011358121 [0,1,0,1,0,0|1,1,0]=4 101 B14R1.3685 CSCCCNC(=O)CNCC1CC1 CSC011959098 [0,1,0,1,0,0|1,0,0]=3 102 B14R1.38 CCCCCNC(=O)C1CCCCC1 CSC046943551 [0,1,0,1,0,0|2,0,0]=4 103 B14R1.38 CNCCCNC(=O)C1CCCCO1 CSC011625492 [0,1,0,1,0,0|2,0,0]=4 104 B14R1.38 CNCCCNC(=O)C1CCCOC1 CSC011744411 [0,1,0,1,0,0|2,0,0]=4 105 B14R1.38 CNCCCNC(=O)C1CCSCC1 CSC018940718 [0,1,0,1,0,0|2,0,0]=4 106 B14R1.38 COCCCNC(=O)C1CCCCN1 CSC011264869 [0,1,0,1,0,0|1,1,0]=4 107 B14R1.38 COCCCNC(=O)C1CCCNC1 CSC011264870 [0,1,0,1,0,0|1,1,0]=4 108 B14R1.38 CSCCCCC(=O)N1CCNCC1 CSC056735810 [0,1,0,1,0,0|2,0,0]=4 109 B14R1.38 CSCCCNC(=O)C1CCCCN1 CSC011959097 [0,1,0,1,0,0|1,0,0]=3 110 B14R1.38 CSCCCNC(=O)C1CCCNC1 CSC011959076 [0,1,0,1,0,0|1,0,0]=3 111 B14R1.38 CSCCCNC(=O)C1CCNCC1 CSC011959068 [0,1,0,1,0,0|1,0,0]=3 112 B14R1.38 CSCCCNC(=O)C1CNCCO1 CSC011959085 [0,1,0,1,0,0|2,0,0]=4 113 B14R1.92 CCCCOCC(=O)NC1CCNC1 CSC057645164 [0,1,0,1,0,0|2,0,0]=4 114 B14R1.92 CCOCCCC(=O)NC1CCNC1 CSC012736230 [0,1,0,1,0,0|2,0,0]=4 115 B14R1.92 CNCCCNC(=O)CC1CCCO1 CSC012226248 [0,1,0,1,0,0|2,0,0]=4 116 B14R1.92 COCCCNC(=O)CC1CCCN1 CSC011463834 [0,1,0,1,0,0|1,1,0]=4 117 B14R1.92 COCCCNC(=O)NC1CCCC1 CSC000241195 [0,1,0,1,0,0|1,1,0]=4 118 B14R1.92 CSCCCCC(=O)NC1CCNC1 CSC057364989 [0,1,0,1,0,0|2,0,0]=4 119 B14R1.92 CSCCCNC(=O)CC1CCCN1 CSC011959065 [0,1,0,1,0,0|1,0,0]=3 120 B14R1.3684 COCCCNC(=O)NCC1CCC1 CSC059322353 [0,1,0,1,0,0|1,1,0]=4 121 B14R1.418 CN(C)CCCNC(=O)C1CCCC1 CSC046943213 [0,1,0,1,0,0|2,0,0]=4 122 B14R1.19 CCCCCC(=O)N1CCC(CC1)N CSC011249580 [0,1,0,1,0,0|2,0,0]=4 123 B14R1.158 CCCCCC(=O)OC1CCCCC1 CSC000026551 [0,1,0,1,0,0|1,0,0]=3 124 B14R1.158 CCCCNC(=O)CC1CSCCN1 CSC012481278 [0,1,0,1,0,0|2,0,0]=4 125 B14R1.158 CNCCCC(=O)NC1CCSCC1 CSC012931721 [0,1,0,1,0,0|2,0,0]=4 126 B14R1.169 CCOCCCNC(=O)C1CCCC1 CSC046511619 [0,1,0,1,0,0|1,1,0]=4 127 B14R1.107 CNCCCC(=O)N(C)C1CCSC1 CSC011357841 [0,1,0,1,0,0|2,0,0]=4 128 B14R1.10502 COCCCNC(=O)C1(CCCC1)O CSC061424740 [0,1,0,1,0,0|1,1,0]=4 129 B14R2.114 O=C(C1CCCC1)N2CCCCC2 CSC000157714 [0,0,0,2,0,0|2,0,0]=4 130 B14R2.793 O=C(NC1CCCC1)C2CCCC2 CSC000160943 [0,0,0,2,0,0|2,0,0]=4