0 B10R1.119 CC1=C(O)C(=O)C=CN1C M13978 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.3 CC1=CC=CC(C)=C1N M19499 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.3 Cc1cccc(O)c1O M18636 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.3 Cc1occc(=O)c1O M20239 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.3 OC1=C(Br)C=CC=C1Br M28154 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.3 OC1=CC=CC(O)=C1O M19211 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.69 CC1=C(Cl)C=CC(O)=C1 M19507 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.69 Cc1cc(O)ccc1O M25013 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.69 Cc1ccc(N)c(N)c1 M21552 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.69 Cn1ccc(N)nc1=O M26011 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.278 Cc1ncc(CO)c(C)c1O M28170 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.37 CC1=C(O)C(=O)OC1C M29425 [0,0,0,0,1,0|2,0,0]=3 16 B8R1.4 O=C1C=CNC(=O)N1 M15525 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.4 O=C1C=CNC(=S)N1 M11751 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.4 OC1=CC=CC(O)=C1 M19514 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.5 CC1=C(O)C=CC=N1 M23315 [2,0,0,0,0,0|0,0,1]=3 20 B8R1.5 Nc1ccccc1O M19714 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.5 Nc1ncccc1O M21226 [2,0,0,0,0,0|1,0,1]=4 22 B8R1.5 O=c1ccocc1O M21209 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.5 Oc1ccccc1O M19683 [2,0,0,0,0,0|1,0,1]=4 24 B8R1.5 On1ccccc1=S M26402 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.3 Cc1ccc(O)cc1 M19480 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.3 Cc1ccc(O)cc1 M20004 [2,0,0,0,0,0|1,0,1]=4 27 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.2 CCc1occc(=O)c1O M20268 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.25 CCc1ccc(C)cc1O M27942 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.25 O=Cc1ccc(O)cc1O M29441 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.30 COC1=CC(C)=CC=C1O M24986 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.653 COc1ccc(C=O)c(O)c1O M27382 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.50 CC1=C(O)C(=O)CO1 M29509 [1,0,0,0,1,0|1,0,1]=4