0 B10R1.4 C=CCc1ccccc1O M27275 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.4 CN1C=CC=C\C1=C/[NH+]=O M14766 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.15 COC1=CC=CC=C1O M16473 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 NCc1ccccc1O M28366 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.15 OCc1ccccc1O M16468 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.86 O=C(O)Cc1ccccc1O M20039 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [0,1,0,0,0,0|2,0,1]=4 17 B11R2.10 NC1=NC2=CC=CC=C2S1 M11521 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.10 O=C1Cc2ccccc2N1 M22658 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.33 CC1=C(CCCl)SC=N1 M26108 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.33 Cc1ncsc1CCCl M24511 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.33 Cn1cncc1CCN M19737 [0,0,0,0,1,0|2,0,0]=3 22 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|0,0,0]=2 25 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.5 CC1=C(O)C=CC=N1 M23315 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.5 NC1=CC=CC=C1I M24615 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.5 Nc1ccccc1O M19714 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.5 Nc1ccncc1N M18788 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.5 Nc1ncccc1O M21226 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.5 Oc1ccccc1O M19683 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|0,0,2]=4 37 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,1,0,0,0,0|0,0,2]=4 43 B10R1.15 NCC(O)c1ccccc1 M19713 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 CNCCc1ccccn1 M18815 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.2 CCc1occc(=O)c1O M20268 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 M13096 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.20 COC1=CC=CC=C1CN M15618 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.20 COc1ccccc1C=O M28053 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.25 CCc1ccc(C)cc1O M27942 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.30 CCc1nc(C)ccc1O M21129 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.30 CCc1nc(C)ccc1O M22196 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.30 COC1=CC(C)=CC=C1O M24986 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.61 CC(=O)c1ccccc1C M28091 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.130 Cc1nc(N)sc1CCN M28465 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.69 CCCCc1ccc(O)cc1O M20556 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.69 Nc1ccc(OCCO)c(N)c1 M20351 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.121 COC1=CC=CC=C1OCCN M15446 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.125 CC(C)COc1ccccc1N M29512 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.125 O=C(O)CCc1ccccc1O M19688 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.1123 NCCc1cc(O)c(O)cc1O M22428 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.1123 NCCc1cc(O)c(O)cc1O M22559 [0,2,0,0,0,0|1,0,0]=3 78 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|1,0,0]=3 79 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,1,0,0|1,0,1]=4 80 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 M27210 [0,1,0,1,0,0|1,0,0]=3 82 B12R2.24 Brc1ccc2c(c1)NCCC2 M27587 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.221 OC1=CC=C(Cl)C2=C1CCC2 M11981 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.8 NCCC1=CN=CN1 M14782 [1,0,0,0,1,0|2,0,0]=4 87 B8R1.8 NCCC1=CNC=N1 M18704 [1,0,0,0,1,0|2,0,0]=4