0 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.47 CC\C=C(/C)C(O)C1=CC=CC=C1 100562 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.47 C\C(=C/CO)C(O)C1=CC=CC=C1 101097 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.47 C\C(=C\CO)C(O)C1=CC=CC=C1 101114 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.152 CC(C(O)C1=CC=CC=C1)[NH+](C)C 18264 [0,1,0,0,0,0|0,0,1]=2 10 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)[NH+](C)C 18868 [0,1,0,0,0,0|0,0,1]=2 11 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O 16003 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.7350 CCC1(O)C2=CC=CC=C2C1C 16165 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [2,0,0,0,0,0|0,0,2]=4 14 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [2,0,0,0,0,0|0,0,0]=2 15 B10R1.15 OCC(O)C1=CC=CC=C1 731 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.30 CCCCC(O)C1=CC=CC=C1 100952 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.30 OCC#CC(O)C1=CC=CC=C1 103162 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.30 OC\C=C/C(O)C1=CC=CC=C1 103123 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.30 OC\C=C\C(O)C1=CC=CC=C1 103122 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.253 CC(O)(C(N)=O)C1=CC=CC=C1 101105 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.564 CC(C)(C)[S@+]([O-])C1=CC=CC=C1 18220 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.564 CC(C)(C)[S@@+]([O-])C1=CC=CC=C1 18405 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.564 CC(C)(O)C(O)C1=CC=CC=C1 1124 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 17187 [1,1,0,0,0,0|2,0,0]=4 28 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [1,0,0,1,0,0|1,0,1]=4 29 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [1,0,0,1,0,0|0,0,2]=4 30 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [1,0,0,1,0,0|0,0,2]=4 31 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O 19197 [1,0,0,1,0,0|2,0,0]=4 32 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.2051 C=CC1(C)CC2=CC=CC=C21 16580 [1,0,0,1,0,0|1,0,1]=4 34 B14R2.57380 CN1C2=CC=CC=C2C(C)(C)C1O 16095 [0,1,0,1,0,0|2,0,0]=4