0 B8R1.2 NCC1=CC=CC=C1 BBP04286 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 NCc1ccccc1 T4846 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.2 OCC1=CC=CC=C1 T0732 [0,0,0,0,0,0|0,0,0]=0 4 B7R1.3 Nc1ccccc1 T4777 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.3 OC1=CC=CC=C1 TCS0927 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [0,1,0,0,0,0|0,0,2]=3 7 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,1,0,0,0,0|0,0,2]=3 8 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [0,1,0,0,0,0|0,0,2]=3 14 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [0,1,0,0,0,0|0,0,1]=2 17 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.6 O=C(O)c1ccccc1 T0833 [0,1,0,0,0,0|0,0,1]=2 19 B9R1.6 O=C(O)c1ccccn1 T4850 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.6 O=C(O)c1cccnc1 T0879 [0,1,0,0,0,0|1,0,1]=3 21 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,1,0,0,0,0|0,0,1]=2 23 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.15 COc1ccccc1O T1301 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.15 OCC1=CC=CC=C1O BBP00748 [0,1,0,0,0,0|0,0,0]=1 26 B9R1.15 OCc1ccccc1O T0311 [0,1,0,0,0,0|0,0,0]=1 27 B7R1.1 COC1=COC=C1 BBP00343 [0,0,0,0,1,0|3,0,0]=4 28 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.3 Cc1cnc(C)cn1 T4801 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.3 OC1=CC=C(O)C=C1 T0673 [1,1,0,0,0,0|0,0,0]=2 31 B8R1.4 OC1=CC=CC(O)=C1 BBP01971 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.5 O=C1C=COC=C1O BBP03674 [1,1,0,0,0,0|1,0,0]=3 33 B8R1.5 OC1=C(O)C=CC=C1 BBP01074 [1,1,0,0,0,0|0,0,0]=2 34 B8R1.5 Oc1ccccc1O T4847 [1,1,0,0,0,0|0,0,0]=2 35 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [0,1,0,0,1,0|1,0,1]=4 36 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [0,1,0,0,1,0|1,0,1]=4 37 B10R1.1 N#CCC1=CC=C(O)C=C1 BBP04442 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,2,0,0,0,0|1,0,0]=3 39 B10R1.1 OCCC1=CC=C(O)C=C1 BBP01578 [0,2,0,0,0,0|0,0,0]=2 40 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,2,0,0,0,0|0,0,0]=2 41 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [0,2,0,0,0,0|0,0,2]=4 42 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,2,0,0,0,0|0,0,1]=3 43 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [0,2,0,0,0,0|0,0,1]=3 44 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,2,0,0,0,0|0,0,1]=3 45 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,2,0,0,0,0|1,0,1]=4 46 B10R1.176 O=C1C=C(CO)OC=C1O BBP04330 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BBP00813 [0,2,0,0,0,0|0,0,2]=4 48 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,2,0,0,0,0|0,0,2]=4 49 B10R1.8 COC1=CC(O)=CC(O)=C1 BBP04494 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.30 O=CC1=C(O)C=CC(O)=C1 BBP01230 [0,2,0,0,0,0|0,0,2]=4 51 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,2,0,0,0,0|1,0,1]=4 52 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,2,0,0,0,0|0,0,1]=3 53 B10R1.15 NCC(O)c1ccccc1 T4873 [0,2,0,0,0,0|0,0,0]=2 54 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,2,0,0,0,0|0,0,2]=4 55 B10R1.61 O=C(O)c1ccccc1O T0649 [0,2,0,0,0,0|0,0,1]=3 56 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [0,2,0,0,0,0|0,0,2]=4 57 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,2,0,0,0,0|0,0,2]=4 58 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,2,0,0,0,0|0,0,2]=4 59 B10R1.17 OC\C=C\C1=CC=CC=C1 BBP01097 [0,2,0,0,0,0|0,0,0]=2 60 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [0,2,0,0,0,0|0,0,0]=2 61 B10R1.17 S=C=NCc1ccccc1 T1082 [0,2,0,0,0,0|0,1,0]=3 62 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,2,0,0,0,0|0,0,2]=4 63 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,2,0,0,0,0|0,0,0]=2