0 B10R1.17 CCOCc1ccccc1 T36790 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CNCCc1ccccn1 T0246 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CNCCc1ccccn1 T0246L [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CNCCc1ccccn1 T4195 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 NNCCc1ccccc1 T12441 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 NNCCc1ccccc1 T50010 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [0,0,0,0,0,0|1,1,2]=4 7 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [0,0,0,0,0,0|1,1,2]=4 8 B10R1.17 O=CCCc1ccccc1 T20312 [0,0,0,0,0,0|1,1,1]=3 9 B10R1.17 OC/C=C/c1ccccc1 TN2982 [0,0,0,0,0,0|1,1,2]=4 10 B10R1.17 OCC=Cc1ccccc1 T5S1550 [0,0,0,0,0,0|1,1,2]=4 11 B10R1.17 OCCCc1ccccc1 T3754 [0,0,0,0,0,0|1,1,1]=3 12 B10R1.17 OCCOc1ccccc1 T20293 [0,0,0,0,0,0|2,1,1]=4 13 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|0,0,2]=3 16 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|0,1,1]=3 20 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|0,1,1]=3 21 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|0,1,1]=3 22 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,1,1]=4 23 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,1,0,0,0,0|1,1,1]=4 26 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.24 CNCCc1cccc(O)c1 T34003 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.28 OCCCCc1ccccc1 T20370 [0,1,0,0,0,0|1,1,1]=4 32 B11R1.28 OCCOCc1ccccc1 T14013 [0,1,0,0,0,0|1,1,1]=4 33 B11R1.28 S=C=NCCc1ccccc1 T19687 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,1,0,0,0,0|1,1,1]=4 36 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,1,0,0,0,0|0,1,2]=4 37 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,1,0,0,0,0|1,1,1]=4 38 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,1,0,0,0,0|0,1,2]=4 40 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,1,0,0,0,0|1,1,1]=4 41 B11R2.1 Nn1nnc2ccccc12 T5953 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|1,1,1]=4 43 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.20 C1SSCc2ccccc12 T12696 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,1]=3 47 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,1,1]=4 49 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,1,0]=3 50 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,1,0]=4 51 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,1,0]=4 52 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,1,1]=4 55 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.4 O/N=C/c1ccccc1O T20346 [1,1,0,0,0,0|0,1,1]=4 59 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.10 Fc1cccc(c1)N=C=S T21177 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.10 Ic1cccc(c1)N=C=S T21210 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,1]=4 65 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,1,1]=4 71 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.226 NC(N)=NCc1cccc(I)c1 T15588L [0,2,0,0,0,0|1,0,1]=4 75 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [0,2,0,0,0,0|0,0,0]=2 76 B10R2.7 C12=N[Se]N=C1C=CC=C2 T20536 [1,0,0,1,0,0|2,0,0]=4 77 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|0,1,1]=4 78 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,1,0,0|2,0,0]=4