0 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [1,0,0,0,0,0|0,0,2]=3 1 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 20165 [1,0,0,0,0,0|1,0,0]=2 5 B15R1.741 C[C@@H](CBr)NC(=O)OCC1=CC=CC=C1 22132 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 12188 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 6265 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 13016 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.327 CC1(C)OC(=O)N[C@H]1C2=CC=CC=C2 18190 [0,0,0,1,0,0|1,0,1]=3 10 B15R2.1668 CC(C)CC1=CC=C2N=CC=CC2=C1 6110 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.1668 CC(C)CC1=NC2=CC=CC=C2C=C1 6108 [0,0,0,1,0,0|2,0,0]=3 12 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [2,0,0,0,0,0|0,0,2]=4 17 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [2,0,0,0,0,0|0,0,0]=2 20 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 20129 [1,1,0,0,0,0|0,0,1]=3 21 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 11088 [1,1,0,0,0,0|1,0,1]=4 22 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 13894 [1,1,0,0,0,0|0,0,2]=4 23 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 13851 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 13852 [1,1,0,0,0,0|0,0,2]=4 25 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 23251 [1,1,0,0,0,0|0,0,2]=4 26 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 31859 [1,1,0,0,0,0|0,0,0]=2 27 B14R1.32 CCOC(=O)\C=C\C1=CC(Cl)=NC=C1 16688 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 13751 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [1,1,0,0,0,0|0,0,2]=4 30 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 12614 [1,1,0,0,0,0|0,0,2]=4 31 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [1,1,0,0,0,0|0,0,2]=4 32 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 8180 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 8172 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)N=C1 26764 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 8158 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 26763 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 22847 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 34170 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 16216 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1Cl 16540 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 20026 [0,1,0,0,1,0|1,0,0]=3 43 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 20038 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 20060 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 17730 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 13300 [0,1,0,0,1,0|1,0,0]=3 47 B16R1.12547 CC(C)(C)OC(=O)NNCC1=CC=CC=C1 31815 [0,1,0,0,0,1|1,0,1]=4 48 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 27026 [0,1,0,0,0,1|1,0,1]=4 49 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(Br)C=CC=C1 7804 [0,2,0,0,0,0|1,0,1]=4 50 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1 13012 [0,2,0,0,0,0|0,0,2]=4 51 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(N)=CC=C1 22570 [0,2,0,0,0,0|1,0,1]=4 52 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 26369 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.31359 CC(C)C1=NC=CC2=CC=CC=C21 17035 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.31359 CC(N)c1cccc2ccccc12 9361 [1,0,0,1,0,0|2,0,0]=4 55 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 7986 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.31359 C[C@@H](O)C1=CC=CC2=CC=CC=C21 14216 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.31359 C[C@H](N)c1cccc2ccccc12 7988 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 14217 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.781 CC(C)C1=CC=C2N=CC=CC2=C1 5907 [0,0,0,1,1,0|2,0,0]=4 60 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 11438 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [1,0,0,0,1,0|0,0,1]=3 62 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [1,0,0,0,1,0|1,0,1]=4 63 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [1,0,0,0,1,0|1,0,1]=4 64 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 10952 [1,0,0,0,0,1|0,0,2]=4