0 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 18107 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 10952 [0,0,0,0,0,0|1,0,0]=1 2 B15R1.809 CCOC(=O)\C=C(/C)NC1=CC=CC=C1 12805 [0,1,0,0,0,0|1,0,2]=4 3 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 18829 [0,1,0,0,0,0|0,0,1]=2 4 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 6054 [0,1,0,0,0,0|0,0,0]=1 5 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 5781 [0,1,0,0,0,0|0,0,0]=1 6 B15R1.1252 CCOC(=O)CCCC1=C(Br)C=CC=C1 14405 [0,1,0,0,0,0|0,0,0]=1 7 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 7726 [0,0,0,1,0,0|2,0,0]=3 8 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 9397 [0,0,0,1,0,0|2,0,0]=3 9 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 27690 [0,0,0,1,0,0|1,0,0]=2 10 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C21 7352 [0,0,0,1,0,0|1,0,2]=4 11 B15R2.73 CCOC(=O)C1=NNC2=CC=CC=C21 11849 [0,0,0,1,0,0|2,0,1]=4 12 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [0,0,0,0,1,0|0,0,0]=1 13 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [0,0,0,0,1,0|1,0,0]=2 14 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [0,0,0,0,1,0|2,0,0]=3 15 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 20165 [0,0,0,0,1,0|1,0,2]=4 17 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [0,0,0,0,1,0|3,0,0]=4 18 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 22905 [0,0,0,0,0,1|0,0,0]=1 19 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [2,0,0,0,0,0|0,0,0]=2 22 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [2,0,0,0,0,0|1,0,0]=3 29 B14R1.123 CCCCCCCCC1=CC=CC=C1 31903 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31807 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31821 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 28193 [1,1,0,0,0,0|0,0,1]=3 33 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 25420 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 20129 [0,1,0,0,1,0|0,0,1]=3 35 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 11088 [0,1,0,0,1,0|1,0,1]=4 36 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 13894 [0,1,0,0,1,0|0,0,0]=2 37 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 13851 [0,1,0,0,1,0|0,0,0]=2 38 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 13852 [0,1,0,0,1,0|0,0,0]=2 39 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 23251 [0,1,0,0,1,0|0,0,0]=2 40 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 31859 [0,1,0,0,1,0|0,0,2]=4 41 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 13751 [0,1,0,0,1,0|0,0,2]=4 42 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [0,1,0,0,1,0|0,0,0]=2 43 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 12614 [0,1,0,0,1,0|0,0,2]=4 44 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [0,1,0,0,1,0|0,0,0]=2 45 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [0,1,0,0,1,0|0,0,0]=2 46 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 8180 [0,1,0,0,1,0|0,0,2]=4 47 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 8172 [0,1,0,0,1,0|0,0,2]=4 48 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 8158 [0,1,0,0,1,0|0,0,2]=4 49 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 22847 [0,1,0,0,1,0|1,0,1]=4 50 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 34170 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.598 CCOC(=O)COC1=NC=CC=C1O 32295 [0,1,0,0,1,0|2,0,0]=4 52 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 16216 [0,1,0,0,1,0|0,0,2]=4 53 B16R1.1570 CCOC(=O)\C=C(/C)NCC1=CC=CC=C1 12806 [0,1,0,0,0,1|0,0,2]=4 54 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C)C=C1 31836 [0,2,0,0,0,0|0,0,1]=3 55 B16R1.1543 CCOC(=O)CCCC1=CC=C(C#N)C=C1 27599 [0,2,0,0,0,0|0,0,0]=2 56 B16R1.1543 CCOC(=O)CCCC1=CC=C(CN)C=C1 27600 [0,2,0,0,0,0|0,0,0]=2 57 B16R1.956 CCOC(=O)CC(=O)CC1=CC(Cl)=CC=C1 31833 [0,2,0,0,0,0|0,0,1]=3 58 B16R1.12547 CC(C)(C)OC(=O)NNCC1=CC=CC=C1 31815 [0,2,0,0,0,0|2,0,0]=4 59 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 27026 [0,2,0,0,0,0|2,0,0]=4 60 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 6850 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 8004 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.6 C1=CC=C(CN2CC=CCC2)C=C1 12962 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.6 C1=CC=C(CN2CC=CCC2)C=C1 24075 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 10007 [1,0,0,1,0,0|1,0,0]=3 65 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 6915 [1,0,0,1,0,0|1,0,0]=3 66 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 6916 [1,0,0,1,0,0|1,0,0]=3 67 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 33696 [1,0,0,1,0,0|1,0,0]=3 68 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 18052 [1,0,0,1,0,0|1,0,0]=3 69 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 24857 [1,0,0,1,0,0|1,0,0]=3 70 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 16023 [0,0,0,1,1,0|2,0,0]=4 71 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 35959 [0,0,0,1,1,0|2,0,0]=4 72 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 6871 [0,0,0,1,1,0|2,0,0]=4 73 B16R2.312 CC1CC(=O)CCN1CC2=CC=CC=C2 30422 [0,0,0,1,0,1|1,0,0]=3 74 B16R2.725 CCOC(=O)C1CN1CC2=CC=CC=C2 17630 [0,0,0,1,0,1|0,0,0]=2 75 B16R2.3258 O=C1CCCN(CC2=CC=CC=C2)CC1 19176 [0,0,0,1,0,1|1,0,0]=3 76 B16R2.3253 O=C1CCCCN(CC2=CC=CC=C2)C1 20049 [0,1,0,1,0,0|2,0,0]=4 77 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)S1 6352 [0,1,0,1,0,0|1,0,1]=4 78 B16R2.767 CCOC(=O)C1COC2=C(C=CC=C2)O1 3147 [0,1,0,1,0,0|1,0,0]=3 79 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [1,0,0,0,1,0|0,0,0]=2 80 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [1,0,0,0,1,0|1,0,0]=3 82 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [1,0,0,0,1,0|0,0,2]=4 83 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [1,0,0,0,1,0|2,0,0]=4 86 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [1,0,0,0,1,0|2,0,0]=4 87 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,0,0,0,2,0|0,0,0]=2 88 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [0,0,0,0,2,0|1,0,0]=3 89 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [0,0,0,0,2,0|1,0,0]=3 90 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [0,0,0,0,2,0|2,0,0]=4