0 B8R1.4 O=C1C=CNC(=O)N1 BBP01113 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.4 OC1=CC=CC(O)=C1 BBP01971 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 Nc1ccccc1 T4777 [1,0,0,0,0,0|1,0,0]=2 3 B7R1.3 OC1=CC=CC=C1 TCS0927 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [0,1,0,0,0,0|0,0,0]=1 5 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,0|0,0,0]=1 6 B9R1.3 CC1=C(O)C(=O)C=CO1 BBP02650 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.3 OC1=CC=CC(O)=C1O BBP01103 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.3 OC1=CC=CC(O)=C1O T3749 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.34 CC1=CC(O)=CC(O)=C1 BBP01205 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.69 CC1=C(O)C=CC(O)=C1 BBP04832 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,0|0,0,0]=1 13 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,0,1,0,0,0|1,0,1]=3 14 B6R0.2 CC(C)=CC(=O)O BBP04714 [1,0,1,0,0,0|1,0,1]=4 15 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.2 NCC1=CC=CC=C1 BBP04286 [1,1,0,0,0,0|0,0,0]=2 17 B8R1.2 NCc1ccccc1 T4846 [1,1,0,0,0,0|0,0,0]=2 18 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,1,0,0,0,0|0,0,1]=3 19 B8R1.2 OCC1=CC=CC=C1 T0732 [1,1,0,0,0,0|0,0,0]=2 20 B8R1.3 Cc1cnc(C)cn1 T4801 [1,1,0,0,0,0|2,0,0]=4 21 B8R1.3 OC1=CC=C(O)C=C1 T0673 [1,1,0,0,0,0|0,0,0]=2 22 B8R1.5 O=C1C=COC=C1O BBP03674 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.5 OC1=C(O)C=CC=C1 BBP01074 [1,1,0,0,0,0|0,0,0]=2 24 B8R1.5 Oc1ccccc1O T4847 [1,1,0,0,0,0|0,0,0]=2 25 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,1,0,0,1,0|1,0,1]=4 26 B10R1.8 COC1=CC(O)=CC(O)=C1 BBP04494 [0,2,0,0,0,0|0,0,0]=2 27 B10R1.30 CN1C=CC(=O)C(C#N)=C1 BBP02218 [0,2,0,0,0,0|2,0,0]=4 28 B10R1.30 O=CC1=C(O)C=CC(O)=C1 BBP01230 [0,2,0,0,0,0|0,0,1]=3 29 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,2,0,0,0,0|1,0,0]=3 30 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,2,0,0,0,0|1,0,1]=4 31 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,2,0,0,0,0|0,0,1]=3 33 B10R1.176 O=C1C=C(CO)OC=C1O BBP04330 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BBP00813 [0,2,0,0,0,0|0,0,1]=3 35 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,2,0,0,0,0|0,0,1]=3 36 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,2,0,0,0,0|0,0,1]=3 37 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [0,0,1,1,0,0|2,0,0]=4 38 B6R0.3 C\C=C(\C)C(=O)O T3328 [0,0,1,0,1,0|1,0,1]=4