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|1,0,0]=1 2 B9R1.8 NCCc1ccccc1 T7433 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,0,0,0,0,0|0,1,1]=2 4 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,0,0,0,0,0|0,1,0]=1 5 B9R1.8 OCCc1ccccn1 T0658 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,0|0,1,1]=3 8 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|0,1,0]=2 9 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|1,1,0]=3 10 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|0,1,0]=2 16 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [0,1,0,0,0,0|1,0,0]=2 17 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.15 OCC(O)c1ccccc1 T1346 [0,1,0,0,0,0|0,1,0]=2 20 B10R1.17 CNCCc1ccccn1 T0246 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.17 CNCCc1ccccn1 T0246L [0,1,0,0,0,0|2,0,0]=3 22 B10R1.17 CNCCc1ccccn1 T4195 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.17 NNCCc1ccccc1 T12441 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,1,0,0,0,0|0,1,2]=4 25 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,1,0,0,0,0|0,1,2]=4 26 B10R1.17 OCCCC1=CC=CC=C1 T3754 [0,1,0,0,0,0|0,1,0]=2 27 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [0,1,0,0,0,0|0,1,1]=3 28 B10R1.17 S=C=NCc1ccccc1 T1082 [0,1,0,0,0,0|0,0,2]=3 29 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,1,0,0,0,0|1,1,1]=4 30 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,1,0,0,0,0|1,1,1]=4 31 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T20536 [0,0,0,1,0,0|3,0,0]=4 32 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [0,0,0,1,0,0|0,1,0]=2 33 B8R1.8 NCCC1=CNC=N1 T6535 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.3 CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|0,0,0]=2 36 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|0,1,1]=4 39 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|0,1,0]=3 40 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.2 NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|0,1,1]=4 43 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|0,1,0]=3 44 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [1,1,0,0,0,0|1,1,0]=4 45 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|0,0,1]=3 46 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|0,0,0]=2 47 B9R1.6 N=C(N)c1ccccc1 T8362 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,1,0,0,0,0|0,1,1]=4 49 B9R1.6 O=C(O)c1ccccc1 T0833 [1,1,0,0,0,0|0,1,1]=4 50 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,1,0,0,0,0|0,1,1]=4 51 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.15 COc1ccccc1O T3267 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|0,1,0]=3 54 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,2,0,0,0,0|0,1,0]=3 55 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,2,0,0,0,0|0,1,0]=3 56 B11R1.1 OC\C=C\c1ccc(O)cc1 TN2028 [0,2,0,0,0,0|0,1,1]=4 57 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,2,0,0,0,0|0,1,1]=4 58 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.83 C=CCc1ccc(OC)cc1 T5649 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.192 C=CCc1ccc(O)c(O)c1 TN1274 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|0,1,0]=3 67 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,2,0,0,0,0|0,1,1]=4 68 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,2,0,0,0,0|0,1,1]=4 69 B11R1.189 COc1cccc(CCN)c1 T7855 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,2,0,0,0,0|0,1,1]=4 72 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,2,0,0,0,0|0,1,1]=4 73 B11R1.28 NCCSSC1=NC=CC=C1 T19106 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,2,0,0,0,0|0,1,0]=3 75 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,2,0,0,0,0|0,1,1]=4 76 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,2,0,0,0,0|0,1,1]=4 77 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,2,0,0,0,0|0,1,0]=3 78 B11R1.509 O=S(=O)(F)Cc1ccccc1 T0789 [0,2,0,0,0,0|1,1,0]=4 79 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|1,1,0]=4 80 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,1,0,1,0,0|1,0,1]=4 81 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,1,0,1,0,0|0,1,1]=4 82 B11R2.1 O=C1CCc2ccccc21 T0564 [0,1,0,1,0,0|0,1,0]=3 83 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,1,0,1,0,0|1,0,0]=3 84 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,1,0,1,0,0|1,0,0]=3