0 B14R1.820 COC(=O)COc1cc(ccc1C)C CSC000149914 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.820 COC(=O)CSc1cc(ccc1C)C CSC000150129 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Cl CSC000148712 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.15 COC(=O)CCc1cccc(c1)Br CSC000151591 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.15 COC(=O)CCc1cccc(c1)Cl CSC000024355 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.15 COC(=O)CNc1cccc(c1)Br CSC000219654 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.15 COC(=O)CNc1cccc(c1)Cl CSC000220050 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.15 COC(=O)COc1cccc(c1)C CSC000149909 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.15 COC(=O)CSc1cccc(c1)Br CSC011756034 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.15 COC(=O)CSc1cccc(c1)C CSC011431931 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.15 COC(=O)CSc1cccc(c1)Cl CSC011721657 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.15 COC(=O)NCc1cccc(c1)Br CSC011256846 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.15 COC(=O)NCc1cccc(c1)Cl CSC000236059 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.528 COC(=O)CCc1ccccc1Br CSC009815308 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.528 COC(=O)CCc1ccccc1Cl CSC000151590 [1,0,0,0,0,0|1,0,2]=4 15 B13R1.528 COC(=O)CCc1ccccc1F CSC000016591 [1,0,0,0,0,0|1,0,2]=4 16 B13R1.528 COC(=O)COc1ccccc1C CSC000149375 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.528 COC(=O)COc1ccccc1Cl CSC000149908 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.528 COC(=O)COc1ccccc1F CSC000149924 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.528 COC(=O)NCc1ccccc1Cl CSC000236058 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.1590 CNC(=O)c1cc2cc(ccc2[nH]1)Br CSC020852329 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.1590 CNC(=O)c1cc2cc(ccc2[nH]1)Cl CSC000044042 [0,0,0,1,0,0|3,0,0]=4 22 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)Br CSC009814476 [0,0,0,1,0,0|2,0,0]=3 23 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)C CSC000031260 [0,0,0,1,0,0|2,0,0]=3 24 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)Cl CSC000031247 [0,0,0,1,0,0|2,0,0]=3 25 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)F CSC000044073 [0,0,0,1,0,0|2,0,0]=3 26 B15R2.1590 COC(=O)c1cc2cc(ccc2o1)Br CSC009812286 [0,0,0,1,0,0|1,0,0]=2 27 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)Br CSC009812836 [0,0,0,1,0,0|1,1,0]=3 28 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)C CSC010233729 [0,0,0,1,0,0|1,1,0]=3 29 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)F CSC000193742 [0,0,0,1,0,0|1,1,0]=3 30 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)Br CSC000246269 [0,0,0,1,0,0|3,0,0]=4 31 B15R2.1590 COC(=O)c1cc2ccc(cc2s1)Br CSC010178015 [0,0,0,1,0,0|3,0,0]=4 32 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl CSC000016707 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.2872 COC(=O)Cc1cc(ccc1C)C CSC011203040 [0,0,0,0,1,0|2,0,1]=4 34 B13R1.2872 COC(=O)Cc1cc(ccc1F)F CSC012179967 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [2,0,0,0,0,0|0,0,2]=4 36 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [2,0,0,0,0,0|1,0,1]=4 39 B14R1.77 COC(=O)C=Cc1cccc(c1)C#N CSC020645964 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.77 COC(=O)COc1cccc(c1)OC CSC000171006 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.863 COC(=O)CNc1ccccc1OC CSC000219752 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.863 COC(=O)COc1ccccc1OC CSC000149912 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.863 COC(=O)CSc1ccccc1OC CSC011448375 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.3279 COC(=O)Cc1cc(ccc1OC)C CSC000204419 [0,1,0,0,1,0|1,0,1]=4 45 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Cl CSC000216674 [0,1,0,0,1,0|1,0,1]=4 46 B14R1.3724 COC(=O)Cc1cc(ccc1Br)OC CSC012362453 [0,1,0,0,1,0|1,0,1]=4 47 B14R2.2332 COc1ccc2cc(ccc2c1)Br CSC000170439 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.972 CNC(=O)c1cc2ccccc2o1 CSC000159883 [1,0,0,1,0,0|1,0,0]=3 49 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 CSC000148470 [1,0,0,1,0,0|1,0,0]=3 50 B14R2.972 COC(=O)c1cc2ccccc2s1 CSC000198240 [1,0,0,1,0,0|0,1,0]=3 51 B14R2.972 COC(=O)c1cc2cccnc2[nH]1 CSC000044995 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.972 COC(=O)c1cn2ccccc2n1 CSC000148251 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)Br CSC000185017 [1,0,0,1,0,0|2,0,0]=4 54 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)Br CSC011218122 [0,0,0,1,0,1|2,0,0]=4 55 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)O CSC000026998 [0,0,0,1,0,1|1,0,0]=3 56 B16R2.7604 COC(=O)c1cc2ccc(cc2o1)OC CSC010253241 [0,1,0,1,0,0|2,0,0]=4 57 B16R2.755 CCOC(=O)c1cc2cc(ccc2[nH]1)Br CSC009814477 [0,1,0,1,0,0|2,0,0]=4 58 B16R2.755 CCOC(=O)c1cc2cc(ccc2[nH]1)Cl CSC000031248 [0,1,0,1,0,0|2,0,0]=4 59 B16R2.755 CCOC(=O)c1cc2cc(ccc2[nH]1)F CSC000040175 [0,1,0,1,0,0|2,0,0]=4 60 B16R2.755 CCOC(=O)c1cc2cc(ccc2o1)Br CSC009814044 [0,1,0,1,0,0|1,0,0]=3 61 B16R2.755 CCOC(=O)c1cc2cc(ccc2s1)F CSC000246236 [0,1,0,1,0,0|1,1,0]=4 62 B16R2.33944 COC(=O)c1cc2c(c(ccc2[nH]1)Cl)Cl CSC000722053 [0,1,0,1,0,0|2,0,0]=4 63 B12R1.50 CCC(=O)Nc1cccc(c1)O CSC000158609 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.50 COC(=O)Cc1cccc(c1)Br CSC000699549 [1,0,0,0,1,0|1,0,1]=4 65 B12R1.50 COC(=O)Cc1cccc(c1)C CSC011661688 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.50 COC(=O)Cc1cccc(c1)Cl CSC011690634 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.50 COC(=O)Cc1cccc(c1)F CSC000151121 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.371 COC(=O)Cc1ccccc1Br CSC000699816 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.371 COC(=O)Cc1ccccc1C CSC000175439 [1,0,0,0,1,0|1,0,1]=4 70 B12R1.371 COC(=O)Cc1ccccc1F CSC000149365 [1,0,0,0,1,0|1,0,1]=4 71 B12R1.371 COC(=O)Cc1ccccc1O CSC000758901 [1,0,0,0,1,0|0,0,1]=3 72 B12R1.127 CC(=O)Nc1cc(ccc1O)Br CSC010005742 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [1,0,0,0,1,0|2,0,0]=4 74 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl CSC000012038 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.354 COC(=O)c1cc(ccc1Br)Br CSC011218029 [0,0,0,0,2,0|2,0,0]=4 76 B12R1.354 COC(=O)c1cc(ccc1Br)C CSC012339458 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.354 COC(=O)c1cc(ccc1Br)Cl CSC011228367 [0,0,0,0,2,0|2,0,0]=4 78 B12R1.354 COC(=O)c1cc(ccc1Br)F CSC000205820 [0,0,0,0,2,0|2,0,0]=4 79 B12R1.354 COC(=O)c1cc(ccc1Br)I CSC012340073 [0,0,0,0,2,0|2,0,0]=4 80 B12R1.354 COC(=O)c1cc(ccc1C)Br CSC000703529 [0,0,0,0,2,0|2,0,0]=4 81 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [0,0,0,0,2,0|2,0,0]=4 82 B12R1.354 COC(=O)c1cc(ccc1C)Cl CSC012000380 [0,0,0,0,2,0|2,0,0]=4 83 B12R1.354 COC(=O)c1cc(ccc1C)I CSC012360116 [0,0,0,0,2,0|2,0,0]=4 84 B12R1.354 COC(=O)c1cc(ccc1Cl)Br CSC000149116 [0,0,0,0,2,0|2,0,0]=4 85 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl CSC000148927 [0,0,0,0,2,0|2,0,0]=4 86 B12R1.354 COC(=O)c1cc(ccc1Cl)F CSC011997379 [0,0,0,0,2,0|2,0,0]=4 87 B12R1.354 COC(=O)c1cc(ccc1Cl)I CSC012353682 [0,0,0,0,2,0|2,0,0]=4 88 B12R1.354 COC(=O)c1cc(ccc1Cl)O CSC012001761 [0,0,0,0,2,0|1,0,0]=3 89 B12R1.354 COC(=O)c1cc(ccc1F)C CSC000703722 [0,0,0,0,2,0|2,0,0]=4 90 B12R1.354 COC(=O)c1cc(ccc1F)F CSC000194029 [0,0,0,0,2,0|2,0,0]=4 91 B12R1.354 COC(=O)c1cc(ccc1F)I CSC012350775 [0,0,0,0,2,0|2,0,0]=4 92 B12R1.354 COC(=O)c1cc(ccc1I)Br CSC000148213 [0,0,0,0,2,0|2,0,0]=4 93 B12R1.354 COC(=O)c1cc(ccc1I)F CSC000058944 [0,0,0,0,2,0|2,0,0]=4 94 B12R1.354 COC(=O)c1cc(ccc1N)C CSC000216452 [0,0,0,0,2,0|2,0,0]=4 95 B12R1.354 COC(=O)c1cc(ccc1N)Cl CSC000172362 [0,0,0,0,2,0|2,0,0]=4 96 B12R1.354 COC(=O)c1cc(ccc1N)F CSC000173281 [0,0,0,0,2,0|2,0,0]=4 97 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [0,0,0,0,2,0|1,0,0]=3 98 B12R1.354 COC(=O)c1cc(ccc1O)F CSC011219540 [0,0,0,0,2,0|1,0,0]=3 99 B12R1.354 COC(=O)c1cc(ccc1O)I CSC000149868 [0,0,0,0,2,0|1,0,0]=3 100 B12R1.354 COC(=O)c1cc(ccc1O)O CSC011203519 [0,0,0,0,2,0|0,0,0]=2 101 B14R1.1025 COC(=O)NN=Cc1cccc(c1)O CSC036539704 [1,0,0,0,0,1|1,0,0]=3