0 B9R1.8 NCCC1=NC=CC=C1 T22501 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 NCCc1ccccc1 T2935 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 NCCc1ccccc1 T7433 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 OCCc1ccccn1 T0658 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [0,1,0,0,0,0|3,0,0]=4 15 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.15 COC(=O)c1cccnc1 T5562 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.15 OCC(O)c1ccccc1 T1346 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.17 CNCCc1ccccn1 T0246 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.17 CNCCc1ccccn1 T0246L [0,1,0,0,0,0|1,0,0]=2 21 B10R1.17 CNCCc1ccccn1 T4195 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.17 NNCCc1ccccc1 T12441 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.17 OCCCC1=CC=CC=C1 T3754 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,1,0,0,0,0|2,0,1]=4 25 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 NCCC1=CNC=N1 T6535 [0,0,0,0,1,0|1,0,1]=3 27 B7R1.3 CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|1,0,0]=3 28 B7R1.3 Clc1cnccn1 T2193 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.1 N#Cc1cnc(Cl)cn1 T3507 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.6 CC(=O)c1cnccn1 T5596 [1,1,0,0,0,0|0,0,1]=3 32 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.6 NC(=O)c1cnccn1 T1426 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.6 O=C(O)c1cnccn1 T0569 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.12 CNCCC1=CN=CN1 T23038 [0,1,0,0,1,0|0,0,1]=3 36 B9R1.33 CC1=C(CCCl)SC=N1 T10796 [0,1,0,0,1,0|2,0,0]=4 37 B9R1.33 CC1=C(CCCl)SC=N1 T14983 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.33 Cn1cncc1CCN T4940 [0,1,0,0,1,0|1,0,1]=4 39 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.222 COC(=O)C1=NC=CN=C1N T22363 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.28 NCCSSC1=NC=CC=C1 T19106 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,2,0,0,0,0|2,0,0]=4 46 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,1,0,1,0,0|2,0,0]=4 47 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,1,0,1,0,0|2,0,0]=4