0 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 240679 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 011445 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.520 CCOC(=O)CSCC1=CC=CC=C1 094710 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.28 BrCCCCCCC1=CC=CC=C1 008934 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.28 CCCCCSCC1=CC=CC=C1 094644 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.28 OCCCCCCC1=CC=CC=C1 003386 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.718 COC(=O)CCCC1=CC=CC=C1 341823 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.718 COC(=O)CNCC1=CC=CC=C1 300050 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.718 COC(=O)CSCC1=CC=CC=C1 094721 [1,0,0,0,0,0|1,0,0]=2 9 B15R1.89 CCOC(=O)\C=C\C(=O)C1=CC=CC=C1 224644 [0,1,0,0,0,0|0,0,3]=4 10 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 078913 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 011768 [0,1,0,0,0,0|0,0,0]=1 12 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 023292 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 220020 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.325 O=C1N[C@H](CC2=CC=CC=C2)C(=O)O1 009973 [0,0,0,1,0,0|2,0,1]=4 15 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 141600 [0,0,0,0,1,0|0,0,2]=3 16 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 223207 [0,0,0,0,1,0|0,0,0]=1 17 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 317601 [0,0,0,0,1,0|1,0,0]=2 18 B13R1.42 CCOC(=O)COC1=CC=CC=C1 001014 [0,0,0,0,1,0|1,0,0]=2 19 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 066738 [0,0,0,0,1,0|1,0,0]=2 20 B13R1.42 CCOC(=O)CSC1=NC=CC=C1 097683 [0,0,0,0,1,0|2,0,0]=3 21 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 180467 [0,0,0,0,1,0|2,0,0]=3 22 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 098919 [0,0,0,0,1,0|0,0,2]=3 23 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 236784 [0,0,0,0,1,0|1,0,2]=4 24 B12R1.8 BrCCCCCC1=CC=CC=C1 008939 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 CCCCCNC1=CC=CC=C1 099449 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CCCCCSC1=CC=CC=C1 094610 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.8 CCCCNCC1=CC=CC=C1 001047 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.8 OCCCCCC1=CC=CC=C1 242471 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 318677 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [2,0,0,0,0,0|0,0,0]=2 36 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [2,0,0,0,0,0|1,0,0]=3 40 B14R1.123 BrCCCCCCCC1=CC=CC=C1 008937 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.123 CCCCNCCCC1=CC=CC=C1 180604 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.123 OCCOCCOCC1=CC=CC=C1 339975 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 235015 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 341923 [1,1,0,0,0,0|0,0,1]=3 45 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 079467 [0,1,0,0,1,0|0,0,1]=3 46 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 023365 [0,1,0,0,1,0|1,0,1]=4 47 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 009178 [0,1,0,0,1,0|1,0,1]=4 48 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 456429 [0,1,0,0,1,0|0,0,0]=2 49 B14R1.32 CCOC(=O)COC1=CC(Br)=CC=C1 095100 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.32 CCOC(=O)COC1=CC(C)=CC=C1 095148 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.32 CCOC(=O)COC1=CC(F)=CC=C1 400296 [0,1,0,0,1,0|1,0,0]=3 52 B14R1.32 CCOC(=O)COC1=CC=CC(Cl)=C1 236124 [0,1,0,0,1,0|1,0,0]=3 53 B14R1.32 CCOC(=O)CSC1=CC(Br)=CC=C1 094816 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.32 CCOC(=O)CSC1=CC(C)=CC=C1 094779 [0,1,0,0,1,0|1,0,0]=3 55 B14R1.32 CCOC(=O)CSC1=CC(Cl)=CC=C1 095033 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 003825 [0,1,0,0,1,0|0,0,0]=2 57 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 077912 [0,1,0,0,1,0|0,0,0]=2 58 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 101938 [0,1,0,0,1,0|0,0,0]=2 59 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 238855 [0,1,0,0,1,0|0,0,0]=2 60 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 369663 [0,1,0,0,1,0|1,0,0]=3 61 B14R1.502 CCOC(=O)COC1=CC=C(Br)C=C1 080335 [0,1,0,0,1,0|1,0,0]=3 62 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 097590 [0,1,0,0,1,0|1,0,0]=3 63 B14R1.502 CCOC(=O)COC1=CC=C(Cl)C=C1 060658 [0,1,0,0,1,0|1,0,0]=3 64 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 325044 [0,1,0,0,1,0|1,0,0]=3 65 B14R1.502 CCOC(=O)CSC1=CC=C(C)C=C1 094767 [0,1,0,0,1,0|1,0,0]=3 66 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 068263 [0,1,0,0,1,0|1,0,0]=3 67 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 239532 [0,1,0,0,1,0|0,0,2]=4 68 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 322079 [0,1,0,0,1,0|0,0,2]=4 69 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 367190 [0,1,0,0,1,0|0,0,2]=4 70 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 098923 [0,1,0,0,1,0|0,0,2]=4 71 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Br 225472 [0,1,0,0,1,0|0,0,0]=2 72 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 229786 [0,1,0,0,1,0|0,0,0]=2 73 B14R1.598 CCOC(=O)CNC1=CC=CC=C1C 370006 [0,1,0,0,1,0|1,0,0]=3 74 B14R1.598 CCOC(=O)COC1=C(C)C=CC=C1 097739 [0,1,0,0,1,0|1,0,0]=3 75 B14R1.598 CCOC(=O)COC1=C(F)C=CC=C1 095171 [0,1,0,0,1,0|1,0,0]=3 76 B14R1.598 CCOC(=O)COC1=CC=CC=C1Br 538247 [0,1,0,0,1,0|1,0,0]=3 77 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 098271 [0,1,0,0,1,0|0,0,2]=4 78 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 097772 [0,1,0,0,1,0|0,0,2]=4 79 B14R1.100 CCOC(=O)CCC(=O)C1=CC=CS1 345057 [0,1,0,0,1,0|1,0,1]=4 80 B16R1.9 CCOC(=O)CCCSC1=CC=C(Cl)C=C1 095035 [0,1,0,0,0,1|0,0,0]=2 81 B16R1.1570 CCOC(=O)CC(=O)OCC1=CC=CC=C1 103488 [0,1,0,0,0,1|0,0,1]=3 82 B16R1.2180 CCOC(=O)CS(=O)(=O)CC1=CC=CC=C1 038411 [0,2,0,0,0,0|1,0,0]=3 83 B16R1.12547 CC(C)(C)OC(=O)NCCC1=CC=CC=C1 181044 [0,2,0,0,0,0|1,0,0]=3 84 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 040311 [1,0,0,1,0,0|1,0,1]=4 85 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 048352 [1,0,0,1,0,0|1,0,0]=3 86 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [1,0,0,1,0,0|1,0,0]=3 87 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [1,0,0,1,0,0|1,0,0]=3 88 B14R2.68 CN1CCC(C2=CC=CC=C2)CC1 180889 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 242612 [1,0,0,1,0,0|0,0,0]=2 90 B14R2.95 COC(=O)C1=CCC2=CC=CC=C21 023353 [1,0,0,1,0,0|0,0,2]=4 91 B16R2.5 CCOC(=O)CC1=CNC2=C1C=CC=C2 079500 [0,0,0,1,0,1|0,0,2]=4 92 B16R2.29786 CCOC(=O)C1OC1(C)C2=CC=CC=C2 242805 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [1,0,0,0,1,0|1,0,0]=3 94 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [1,0,0,0,1,0|0,0,0]=2 95 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [1,0,0,0,1,0|1,0,0]=3 96 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [1,0,0,0,1,0|1,0,0]=3 97 B12R1.27 COC(=O)CSC1=NC=CC=C1 097692 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [1,0,0,0,1,0|0,0,2]=4 99 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [1,0,0,0,1,0|2,0,0]=4 100 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [1,0,0,0,1,0|2,0,0]=4 102 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.32 CCNC(=O)NC1=CC=CC=C1 342140 [0,0,0,0,2,0|2,0,0]=4 106 B12R1.32 CCOC(=O)CC1=CC=CN=C1 093980 [0,0,0,0,2,0|1,0,0]=3 107 B12R1.32 CCOC(=O)CC1=NC=CC=C1 217032 [0,0,0,0,2,0|1,0,0]=3 108 B12R1.32 CCOC(=O)NC1=CC=CC=C1 018973 [0,0,0,0,2,0|1,0,0]=3 109 B12R1.32 CCOC(=O)NC1=CN=CC=C1 351537 [0,0,0,0,2,0|2,0,0]=4