0 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.46 CCCCNC(=O)NCC(=O)O CSC011205310 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.46 COCCNC(=O)CCC(=O)O CSC011309817 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.4 COCCOCCOC(=O)C CSC000062832 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [1,0,0,0,0,0|2,0,1]=4 14 B12R0.44 CC(C)CCNC(=O)CCC(=O)O CSC000199397 [0,1,0,0,0,0|2,0,0]=3 15 B12R0.44 CC(C)CCOC(=O)CCC(=O)C CSC000076651 [0,1,0,0,0,0|0,0,0]=1 16 B12R0.142 CCCSCC(=O)NCC(=O)NC CSC019741337 [0,1,0,0,0,0|3,0,0]=4 17 B12R0.189 CSC(C)CNC(=O)CNC(=O)C CSC019297874 [0,1,0,0,0,0|3,0,0]=4 18 B12R0.255 CCCCCCC(=O)OCC(=C)C CSC020365726 [0,1,0,0,0,0|3,0,0]=4 19 B12R0.255 CSCCCCC(=O)NCC(=O)O CSC019889757 [0,1,0,0,0,0|3,0,0]=4 20 B12R0.255 CSCCCNC(=O)CCC(=O)O CSC011957421 [0,1,0,0,0,0|2,0,0]=3 21 B12R0.283 CSCC(C)NC(=O)CNC(=O)C CSC017445760 [0,1,0,0,0,0|3,0,0]=4 22 B12R0.649 CCCCNC(=O)CCS(=O)(=O)C CSC019154423 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.54 OC(=O)CCC(=O)N1CCCC1 CSC000187315 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.210 NC(=O)CN1CCCCCC1=O CSC000162079 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.2132 CCCCOC(=O)C1CC1(F)F CSC000084581 [0,0,0,1,0,0|2,0,1]=4 26 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,0,0,0,1,0|1,0,1]=3 27 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,0,0,0,1,0|2,0,1]=4 28 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [0,0,0,0,0,1|2,0,1]=4 29 B12R0.233 CCCSCC(=O)NCCC(=O)O CSC012904872 [0,0,0,0,0,1|3,0,0]=4 30 B12R0.233 COCCNC(=O)CSCC(=O)O CSC000150188 [0,0,0,0,0,1|3,0,0]=4 31 B9R0.2 CCCCCCCC(=O)N CSC011216093 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.2 CCCCCCOC(=O)C CSC000032130 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.18 CCCCC(=O)OCCC CSC000169915 [2,0,0,0,0,0|0,0,1]=3 34 B9R0.18 CCCCS(=O)CCCC CSC000031468 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [2,0,0,0,0,0|0,0,0]=2 36 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.5 CCCC(=O)NCCSC CSC000161292 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.5 CCCCCC(=O)OCC CSC000170156 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.5 CCCCNC(=O)CNC CSC000213093 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.5 CCCCNC(=O)COC CSC000159063 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.5 CCCCNC(=O)NCC CSC000163430 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.5 CCCCOC(=O)CCC CSC011212260 [2,0,0,0,0,0|0,0,0]=2 43 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [1,1,0,0,0,0|1,0,1]=4 45 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [1,1,0,0,0,0|0,0,2]=4 46 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [1,1,0,0,0,0|0,0,1]=3 47 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [1,1,0,0,0,0|0,0,1]=3 48 B11R0.140 CCCCNC(=O)NCCCC CSC000163428 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,1,0,0,1,0|1,0,1]=4 50 B13R0.1 CCCCOCC(=O)NCCC(=O)O CSC012904886 [0,1,0,0,0,1|1,0,0]=3 51 B13R0.1 CCCCOCC(=O)NCCC(C)N CSC057701552 [0,1,0,0,0,1|1,0,1]=4 52 B13R0.1 CCOCCCC(=O)NCCC(=O)O CSC011593163 [0,1,0,0,0,1|2,0,0]=4 53 B13R0.1 COCCCCC(=O)NCCC(=O)O CSC019947150 [0,1,0,0,0,1|2,0,0]=4 54 B13R0.1 COCCOCC(=O)NCCC(=O)O CSC000205649 [0,1,0,0,0,1|2,0,0]=4 55 B13R0.1 CSCCCCC(=O)NCCC(=O)O CSC018722141 [0,1,0,0,0,1|2,0,0]=4 56 B13R0.1 CSCCCNC(=O)NCCC(=O)O CSC011959772 [0,1,0,0,0,1|2,0,0]=4 57 B13R0.139 CCCCCC(=O)N(C)CCC(=O)O CSC011389226 [0,1,0,0,0,1|2,0,0]=4 58 B13R0.194 CCCCCC(=O)NCCC(=O)NC CSC026851988 [0,1,0,0,0,1|1,0,0]=3 59 B13R0.194 CNCCCC(=O)NCCC(=O)OC CSC011437923 [0,1,0,0,0,1|2,0,0]=4 60 B13R0.331 CCCC(C)CC(=O)NCCC(=O)O CSC012904899 [0,1,0,0,0,1|2,0,0]=4 61 B13R0.333 CCCCCC(=O)NC(C)CC(=O)O CSC000244157 [0,1,0,0,0,1|2,0,0]=4 62 B13R0.333 CCCCNC(=O)NC(C)CS(=O)C CSC013340643 [0,1,0,0,0,1|2,0,0]=4 63 B13R0.339 CCCCCC(=O)NCC(C)C(=O)O CSC011724763 [0,1,0,0,0,1|2,0,0]=4 64 B13R0.345 CCCCC(C)C(=O)NCCC(=O)O CSC014590845 [0,1,0,0,0,1|2,0,0]=4 65 B13R0.345 CCCCN(C)C(=O)NCCC(=O)O CSC011427974 [0,1,0,0,0,1|2,0,0]=4 66 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N CSC059762253 [0,1,0,0,0,1|2,0,0]=4 67 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N CSC059285309 [0,1,0,0,0,1|2,0,0]=4 68 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)O CSC011427812 [0,1,0,0,0,1|2,0,0]=4 69 B13R0.51 CC(=O)CCC(=O)NCC(O)C(F)F CSC014381299 [0,2,0,0,0,0|2,0,0]=4 70 B13R0.51 CC(C)C(O)CNC(=O)CCC(=O)C CSC013496039 [0,2,0,0,0,0|1,0,0]=3 71 B13R0.208 CCC(O)CCNC(=O)CNC(=O)C CSC012844705 [0,2,0,0,0,0|2,0,0]=4 72 B13R0.208 CCN(C)CCNC(=O)CNC(=O)C CSC060284065 [0,2,0,0,0,0|2,0,0]=4 73 B13R0.349 CC(O)CCN(C)C(=O)CCC(=O)C CSC013512399 [0,2,0,0,0,0|1,0,0]=3 74 B13R0.349 CC(O)CCN(C)C(=O)CNC(=O)C CSC012742919 [0,2,0,0,0,0|2,0,0]=4 75 B13R0.351 CC(=O)CCC(=O)NCCC(C)(C)O CSC013657280 [0,2,0,0,0,0|1,0,0]=3 76 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C CSC059550305 [0,2,0,0,0,0|2,0,0]=4 77 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)O CSC013655446 [0,2,0,0,0,0|2,0,0]=4 78 B13R0.444 CC(O)CCNC(=O)CN(C)C(=O)C CSC012080944 [0,2,0,0,0,0|2,0,0]=4 79 B13R0.615 CC(C)CC(C)NC(=O)CCC(=O)O CSC011309758 [0,2,0,0,0,0|2,0,0]=4 80 B13R0.615 CC(C)CC(C)NC(=O)CNC(=O)C CSC059676177 [0,2,0,0,0,0|2,0,0]=4 81 B13R0.615 CC(O)CC(C)NC(=O)CCC(=O)C CSC013297900 [0,2,0,0,0,0|1,0,0]=3 82 B13R0.1403 CC(C)CCNC(=O)C(C)NC(=O)C CSC000002911 [0,2,0,0,0,0|2,0,0]=4 83 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C CSC060352158 [0,2,0,0,0,0|2,0,0]=4 84 B13R0.40 CCCCN(C)C(=O)CNC(=O)CN CSC011359691 [0,2,0,0,0,0|2,0,0]=4 85 B13R0.42 CCCCN(C)C(=O)CCS(=O)(=O)C CSC059994108 [0,2,0,0,0,0|2,0,0]=4 86 B13R0.73 CN(C[C@H](O)CO)C(=O)CCC(=O)C CSC059713768 [0,2,0,0,0,0|2,0,0]=4 87 B13R0.284 CCCCOCC(=O)NC(C)C(=O)O CSC012905460 [0,2,0,0,0,0|2,0,0]=4 88 B13R0.284 CCCCOCC(=O)N[C@@H](C)C(=O)O CSC012905645 [0,2,0,0,0,0|2,0,0]=4 89 B13R0.284 CCCCOCC(=O)N[C@H](C)C(=O)O CSC012905798 [0,2,0,0,0,0|2,0,0]=4 90 B13R0.284 CCOCCNC(=O)CN(C)C(=O)C CSC059296458 [0,2,0,0,0,0|2,0,0]=4 91 B13R0.284 COCCCNC(=O)CN(C)C(=O)C CSC000243599 [0,2,0,0,0,0|2,0,0]=4 92 B13R0.434 CC[C@H](O)CNC(=O)CN(C)C(=O)C CSC060466384 [0,2,0,0,0,0|2,0,0]=4 93 B13R0.438 CCCCCNC(=O)C(C)NC(=O)C CSC059579531 [0,2,0,0,0,0|2,0,0]=4 94 B13R0.438 CCCCOCC(=O)N(C)CC(=O)O CSC012904787 [0,2,0,0,0,0|2,0,0]=4 95 B13R0.438 CCOCCNC(=O)C(C)NC(=O)C CSC060548387 [0,2,0,0,0,0|2,0,0]=4 96 B13R0.438 COCCCNC(=O)C(C)NC(=O)C CSC059728190 [0,2,0,0,0,0|2,0,0]=4 97 B13R0.480 CC[C@H](O)CNC(=O)C(C)NC(=O)C CSC060555396 [0,2,0,0,0,0|2,0,0]=4 98 B13R0.193 CCCCNC(=O)NCC(=O)NCC CSC000192784 [0,2,0,0,0,0|2,0,0]=4 99 B13R0.1170 CCCCCNC(=O)CNC(=O)NC CSC060598158 [0,2,0,0,0,0|2,0,0]=4 100 B13R0.1170 CCOCCNC(=O)CNC(=O)NC CSC060361931 [0,2,0,0,0,0|2,0,0]=4 101 B13R0.1170 CNC(=O)NCC(=O)NCCCOC CSC060067077 [0,2,0,0,0,0|2,0,0]=4 102 B13R0.1170 CNC(=O)NCC(=O)NCCCSC CSC059742934 [0,2,0,0,0,0|2,0,0]=4 103 B13R0.95 CCCC(O)CNC(=O)CNC(=O)C CSC012821421 [0,2,0,0,0,0|2,0,0]=4 104 B13R0.95 CCNC(=O)CNC(=O)CCC(=O)C CSC017584276 [0,2,0,0,0,0|1,0,1]=4 105 B13R0.95 COCC(C)CNC(=O)CNC(=O)C CSC060518359 [0,2,0,0,0,0|2,0,0]=4 106 B13R0.294 CCC(C)(O)CNC(=O)CCC(=O)C CSC017611908 [0,2,0,0,0,0|1,0,0]=3 107 B13R0.294 CCC(C)(O)CNC(=O)CNC(=O)C CSC012217559 [0,2,0,0,0,0|2,0,0]=4 108 B13R0.1107 CCC(C)C(C)NC(=O)CNC(=O)C CSC059303582 [0,2,0,0,0,0|2,0,0]=4 109 B13R0.1107 COC(C)[C@H](C)NC(=O)CCC(=O)C CSC059921303 [0,2,0,0,0,0|2,0,0]=4 110 B13R0.154 CCCCCCNC(=O)CCC(=O)O CSC000199496 [0,2,0,0,0,0|2,0,0]=4 111 B13R0.182 CC(C)CCCNC(=O)CNC(=O)C CSC060008583 [0,2,0,0,0,0|2,0,0]=4 112 B13R0.182 CN(C)CCCNC(=O)CNC(=O)C CSC059829753 [0,2,0,0,0,0|2,0,0]=4 113 B13R0.705 CC(=O)CCC(=O)NC(C)(C)CCO CSC013524135 [0,2,0,0,0,0|2,0,0]=4 114 B13R0.705 CCCC(C)(C)NC(=O)CNC(=O)C CSC060402097 [0,2,0,0,0,0|2,0,0]=4 115 B13R0.705 COCC(C)(C)NC(=O)CCC(=O)C CSC013445033 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.91 CC(=O)NCC1=CCCCC1 CSC010505009 [1,0,0,1,0,0|2,0,0]=4 117 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [1,0,0,1,0,0|1,0,1]=4 118 B11R1.29 CNCCC(=O)N1CCCC1 CSC000232456 [1,0,0,1,0,0|2,0,0]=4 119 B13R1.342 OC(=O)CSCC(=O)N1CCCC1 CSC000150313 [0,0,0,1,0,1|2,0,0]=4 120 B13R1.342 OC(=O)CSCC(=O)N1CCCC1 CSC000150313 [0,0,0,1,0,1|2,0,0]=4 121 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 CSC017133211 [0,0,0,1,0,1|2,0,0]=4 122 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 CSC019115294 [0,0,0,1,0,1|2,0,0]=4 123 B13R1.3731 CC1CC1NC(=O)CSCC(=O)N CSC017416787 [0,0,0,1,0,1|2,0,0]=4 124 B13R1.129 CC1CCN(C1)C(=O)CNC(=O)C CSC015914221 [0,1,0,1,0,0|2,0,0]=4 125 B13R1.45 CC(=O)NCC(=O)N1CCCCC1 CSC000157692 [0,1,0,1,0,0|2,0,0]=4 126 B13R1.45 CC(=O)NCC(=O)N1CCCCO1 CSC013883989 [0,1,0,1,0,0|1,0,0]=3 127 B13R1.45 CC(=O)NCC(=O)N1CCSCC1 CSC015352771 [0,1,0,1,0,0|2,0,0]=4 128 B13R1.45 OC(=O)CCC(=O)N1CCCCC1 CSC000243808 [0,1,0,1,0,0|2,0,0]=4 129 B13R1.339 CN(CC(=O)N1CCCC1)C(=O)C CSC000243004 [0,1,0,1,0,0|2,0,0]=4 130 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 CSC011191062 [0,1,0,1,0,0|2,0,0]=4 131 B13R1.527 CCC(=O)NC1CCCCNC1=O CSC011277051 [0,1,0,1,0,0|2,0,0]=4 132 B13R1.4928 CCC(=O)NC1C(CCNC1=O)C CSC016162274 [0,1,0,1,0,0|2,0,0]=4 133 B13R1.168 CC1CCCN1C(=O)CNC(=O)C CSC016128790 [0,1,0,1,0,0|2,0,0]=4 134 B13R1.344 OC(=O)CCC(=O)NC1CCSC1 CSC013936579 [0,1,0,1,0,0|2,0,0]=4 135 B13R1.3740 CC1CC1NC(=O)CCS(=O)(=O)C CSC016336524 [0,1,0,1,0,0|2,0,0]=4 136 B13R1.5839 CS(=O)(=O)CCC(=O)NC1CCC1 CSC016403831 [0,1,0,1,0,0|2,0,0]=4 137 B13R1.8891 CS(=O)(=O)CCC(=O)NCC1CC1 CSC018804506 [0,1,0,1,0,0|2,0,0]=4 138 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,0,0,0,1,0|1,0,1]=4 139 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [0,0,0,0,2,0|2,0,0]=4 140 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,0,0,0,2,0|1,0,1]=4 141 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,0,0,0,0,2|2,0,0]=4