0 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 25653 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 20207 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [1,0,0,0,0,0|1,0,0]=2 6 B15R1.741 C[C@@H](CBr)NC(=O)OCC1=CC=CC=C1 22132 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 12188 [0,1,0,0,0,0|1,0,0]=2 8 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 6265 [0,1,0,0,0,0|1,0,0]=2 9 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 13016 [0,1,0,0,0,0|0,0,0]=1 10 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 13014 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.5336 CN(C)\C=C(/C=O)OCC1=CC=CC=C1 21569 [0,1,0,0,0,0|1,0,1]=3 12 B15R2.325 O=C1C[C@H](O)CN1CC2=CC=CC=C2 22243 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.327 CC1(C)OC(=O)N[C@H]1C2=CC=CC=C2 18190 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.1668 CC(C)CC1=NC2=CC=CC=C2C=C1 6108 [0,0,0,1,0,0|2,0,1]=4 15 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,0,0,0,1,0|1,0,1]=3 16 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,0,0,0,1,0|1,0,0]=2 17 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,0,0,0,1,0|1,0,0]=2 18 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,0,0,0,1,0|1,0,0]=2 19 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,0,0,0,1,0|1,0,0]=2 20 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 9718 [0,0,0,0,0,1|2,0,1]=4 21 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [2,0,0,0,0,0|0,0,2]=4 23 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [2,0,0,0,0,0|2,0,0]=4 30 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 13894 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 13851 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 13852 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 23251 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.156 N#CCNC(=O)OCc1ccccc1 16386 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 12356 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 19043 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 34994 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 20026 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 13300 [0,1,0,0,1,0|1,0,0]=3 43 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 20155 [0,1,0,0,0,1|1,0,1]=4 44 B16R1.6944 CC(C)C[C@H](N)C(=O)OCC1=CC=CC=C1 12971 [0,1,0,0,0,1|0,0,0]=2 45 B16R1.12547 CC(C)(C)OC(=O)NNCC1=CC=CC=C1 31815 [0,1,0,0,0,1|2,0,0]=4 46 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 27026 [0,1,0,0,0,1|1,0,0]=3 47 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(Br)C=CC=C1 7804 [0,2,0,0,0,0|2,0,0]=4 48 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1 13012 [0,2,0,0,0,0|2,0,0]=4 49 B16R1.1672 CC[C@H](C)[C@H](N)C(=O)OCC1=CC=CC=C1 18962 [0,2,0,0,0,0|0,0,0]=2 50 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(N)=CC=C1 22570 [0,2,0,0,0,0|2,0,0]=4 51 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 16023 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 35959 [1,0,0,1,0,0|1,0,0]=3 53 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 6871 [1,0,0,1,0,0|1,0,0]=3 54 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@@H]2CN2 12053 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@H]2CN2 12052 [1,0,0,1,0,0|1,0,0]=3 56 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 19679 [0,0,0,1,0,1|1,0,1]=4 57 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 8706 [0,0,0,1,0,1|1,0,1]=4 58 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 10159 [0,1,0,1,0,0|1,0,0]=3 59 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [1,0,0,0,1,0|1,0,0]=3 60 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [1,0,0,0,1,0|2,0,0]=4 61 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [1,0,0,0,1,0|2,0,0]=4 62 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21788 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.32 NCCC(=O)NC1=CC=CC=C1 21789 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 13915 [1,0,0,0,1,0|2,0,0]=4 65 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,0,0,0,1,0|1,0,1]=4 66 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 10952 [1,0,0,0,0,1|2,0,0]=4 67 B16R1.6929 CC(=O)CC(=O)OC\C=C\C1=CC=CC=C1 35973 [0,0,0,0,0,2|1,0,1]=4