0 B8R1.2 N#Cc1ncccn1 T7451 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.2 NCc1cccnc1 T1581 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.2 OCC1=CC=CC=C1 T0732 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 OCc1ccccn1 T1112 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 OCc1cccnc1 T1299 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CC1=NC=CC=C1 T21323 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 N#Cc1cnc(Cl)cn1 T3507 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.6 CC(=O)c1ccccc1 T7446 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.6 CC(=O)c1cnccn1 T5596 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.6 NC(=O)c1cnccn1 T1426 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.6 O=C(O)c1ccccn1 T4850 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.6 O=C(O)c1cccnc1 T0879 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.6 O=C(O)c1cnccn1 T0569 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.8 NCCC1=NC=CC=C1 T22501 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.8 NCCc1ccccc1 T7433 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.8 OCCc1ccccn1 T0658 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.15 COc1ccccc1O T1301 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.15 COc1ccccc1O T3267 [0,1,0,0,0,0|2,0,0]=3 30 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.3 Cc1cnc(C)cn1 T4801 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,1,0,0,0,0|2,0,0]=4 33 B8R1.4 Oc1cccc(O)n1 T4720 [1,1,0,0,0,0|1,0,0]=3 34 B8R1.5 Nc1ccncc1N T4497 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.5 Nc1ncccc1O T7923 [1,1,0,0,0,0|1,0,0]=3 36 B8R1.5 O=c1ccocc1O TL0015 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.8 NCCC1=CNC=N1 T6535 [0,1,0,0,1,0|1,0,1]=4 38 B8R1.11 CSc1nccn1C T8612 [0,1,0,0,1,0|0,1,1]=4 39 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.30 CCc1nc(C)ccc1O T7875 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.30 CCc1nc(C)ccc1O T8624 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.15 COC(=O)c1cccnc1 T5562 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.17 CNCCc1ccccn1 T0246 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.17 CNCCc1ccccn1 T0246L [0,2,0,0,0,0|2,0,0]=4 48 B10R1.17 CNCCc1ccccn1 T4195 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.20 COc1ccccc1CN T1372 [0,2,0,0,0,0|2,0,0]=4 51 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [0,1,0,1,0,0|2,0,0]=4 52 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,1,0|1,0,1]=4 53 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,1,0|1,0,0]=3 54 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,1,0|2,0,0]=4