0 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 O=C(NCO)c1cccnc1 M21146 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.17 CCCCC(=O)c1ccc(O)cc1 M27261 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.17 CCCOC(=O)c1ccc(O)cc1 M20302 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 M20209 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.17 NCCNC(=O)c1ccc(Cl)cn1 M20314 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 M20342 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 M20341 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 M15351 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.5179 O=C1CCCc2cc(Cl)ccc21 M27393 [0,0,0,1,0,0|2,0,0]=3 22 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 M23773 [0,0,0,0,0,1|1,0,0]=2 23 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.17 CCOCc1ccccc1 M28093 [2,0,0,0,0,0|0,0,1]=3 25 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.15 CNC(=O)c1ccccc1 M26316 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.15 CNC(=O)c1cccnc1 M20018 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.15 COC(=O)c1ccccn1 M27521 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.15 COC(=O)c1cccnc1 M20301 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.15 O=CC(=O)c1ccccc1 M28183 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.13 NC(=O)c1ccc(N)nc1 M20842 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [2,0,0,0,0,0|0,0,0]=2 37 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.17 CCOC(=O)c1cccc(N)c1 M24908 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.308 CCOC(=O)C1=CC=CC=C1O M23356 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M13431 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M23976 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 M16747 [0,2,0,0,0,0|0,0,0]=2 49 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 M16748 [0,2,0,0,0,0|1,0,0]=3 50 B14R1.678 CC(C)COC(=O)c1ccc(O)cc1 M20343 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.678 CN(C)CCC(=O)C1=CC=C(Br)C=C1 M13408 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 M15337 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.678 Nc1ccc(C(=O)NCC(=O)[O-])cc1 M19840 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.88 CCN(CC)C(=O)c1ccc(Cl)cc1 M19359 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.626 CCOC(=O)C1=CC(OC)=C(O)C=C1 M15333 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.6821 CCOC(=O)c1cc(O)c(O)c(O)c1 M19155 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.18811 CCOC(=O)c1c(C)cc(O)cc1O M18310 [0,2,0,0,0,0|1,0,0]=3 58 B10R1.14 COC(=O)C1=CC(Br)=CN1 M29527 [1,0,0,0,1,0|2,0,0]=4 59 B10R1.14 COC(=O)C1=CC=C(Br)N1 M29538 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [1,0,0,0,0,1|0,0,0]=2 61 B14R1.502 CCOC(=O)\C=C\c1ccc(O)cc1 M24744 [0,0,0,0,0,2|1,0,0]=3