0 B10R1.20 CCC1=C(CC)N=CC=N1 SBB058452 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.20 CCC1=CC=CC=C1C=O SBB064652 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.20 CNC1=C(C=O)C=CC=N1 SBB010268 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.20 CNC1=NC=CC=C1CO SBB054793 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 COC1=C(C#N)C=CC=N1 SBB019387 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.20 COC1=C(OC)C=CC=C1 SBB060065 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.20 COC1=C(SC)C=CC=C1 SBB058991 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.20 COC1=CC=CC=C1CCl SBB058821 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.20 COC1=CC=CC=C1CN SBB040466 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.20 COC1=CC=CC=C1CO SBB041053 [0,0,0,0,0,0|3,1,0]=4 10 B10R1.20 N#CC1=NC=CC=C1CBr SBB054920 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 CC1=C(CCl)C=CC=C1 SBB040606 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CC1=C(CN)C=CC=C1 SBB042694 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CC1=CC=CC=C1CO SBB065157 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CC1=CC=CC=C1CS SBB086035 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 CC1=CC=CN=C1C#N SBB055741 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 CC1=CC=CN=C1C=O SBB052241 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 CC1=CC=CN=C1CN SBB052454 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 CCC1=CC=CC=C1C SBB061450 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.15 COC1=CC=CN=C1Br SBB005633 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.15 COC1=CC=CN=C1N SBB051907 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.15 COC1=CC=CN=C1O SBB046500 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.15 COC1=NC=CN=C1N SBB051948 [1,0,0,0,0,0|1,1,0]=3 27 B9R1.15 CSC1=C(Br)C=CC=C1 SBB006566 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 CSC1=C(C)N=CC=N1 SBB008573 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.15 CSC1=C(Cl)C=CC=C1 SBB058978 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 CSC1=NC=CC=C1N SBB072554 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 N#CC1=NC=CN=C1Cl SBB055887 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.15 NC1=NC=CC=C1CO SBB054786 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 OCC1=C(O)C=CC=N1 SBB085588 [1,0,0,0,0,0|2,1,0]=4 34 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.37 CCC1=C(CC)N=C(C)C=N1 SBB057797 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.37 CSC1=NC(C)=CC=C1C#N SBB087827 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.41 CCNC1=C(OC)C=CC=C1 SBB080368 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.41 COC1=CC=CC=C1CCBr SBB027259 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.53 CCC1=NC=CN=C1C(C)=O SBB067086 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 SBB027293 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 SBB027290 [0,1,0,0,0,0|2,1,0]=4 42 B11R1.53 CSC1=NC=CC=C1C(=O)Cl SBB090661 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.53 CSC1=NC=CC=C1C(=O)O SBB003868 [0,1,0,0,0,0|2,0,1]=4 44 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [0,0,0,1,0,0|1,0,0]=2 45 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.20 C1=CC2=C(C=C1)SCCN2 SBB010332 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.14 CCC1=CC=NN1CC SBB025387 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.14 CCN1C=CN=C1C=O SBB028117 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.14 CCN1C=CN=C1CO SBB027204 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.14 CCN1N=CC=C1C#N SBB026425 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.14 CCN1N=CC=C1C=O SBB020583 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.14 CCN1N=CC=C1CCl SBB025984 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.14 CCN1N=CC=C1CN SBB004265 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.14 CCN1N=CC=C1CO SBB025126 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.14 N1C=C(CC)C(CC)=C1 SBB059631 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [2,0,0,0,0,0|0,0,2]=4 61 B8R1.2 CCC1=CC=CC=C1 SBB040891 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 CCC1=CC=CC=N1 SBB060373 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 CCC1=CN=CC=C1 SBB060374 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 CNC1=NC=CN=C1 SBB018751 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 CSC1=NN=CC=N1 SBB085690 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 N#CC1=NC=CN=C1 SBB055876 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.2 NCC1=CC=CN=C1 SBB004351 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 NCC1=NC=CC=C1 SBB004352 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 NCC1=NC=CN=C1 SBB014584 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.2 OCC1=CC=CN=C1 SBB004344 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 OCC1=NC=CC=C1 SBB004348 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 OCC1=NC=CN=C1 SBB054824 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.5 CC1=C(C)C=CC=C1 SBB040816 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 CC1=C(C)N=CC=C1 SBB060735 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.5 CC1=CC=CN=C1Br SBB054403 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.5 CC1=CC=CN=C1I SBB054379 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 CC1=CC=CN=C1N SBB004356 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 CC1=NC=CC=C1Br SBB054275 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 CC1=NC=CC=C1Cl SBB054401 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 CC1=NC=CC=C1N SBB069748 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.5 ClC1=NC=CN=C1Cl SBB080632 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.5 NC1=NC=CC=C1S SBB065453 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.5 NC1=NC=CN=C1Cl SBB006510 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.4 CCOC1=C(N)N=CC=C1 SBB014971 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.4 CCOC1=CC=CC=C1C SBB060978 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.25 COC1=NC=C(Br)C=C1C SBB054332 [1,1,0,0,0,0|1,1,0]=4 91 B10R1.25 CSC1=C(C)C=C(O)C=C1 SBB071462 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [1,1,0,0,0,0|1,1,0]=4 93 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [1,1,0,0,0,0|1,1,0]=4 94 B10R1.30 COC1=NC(Br)=CN=C1N SBB070417 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SBB005785 [1,1,0,0,0,0|0,0,1]=3 96 B10R1.5 CCC1=NC=CN1CCO SBB046468 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.5 CCN1N=CC=C1CCN SBB073725 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.5 CCN1N=CC=C1CNC SBB009283 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.39 CCC1=CC=NN1C(C)C SBB026630 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.39 CCN1N=CC=C1C(C)=O SBB021380 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.39 CCN1N=CC=C1C(C)N SBB021959 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.39 CCN1N=CN=C1C(C)N SBB051540 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.257 CCC1=C(I)C=NN1CC SBB074013 [0,1,0,0,1,0|2,0,0]=4 104 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.11 CC1=C(CCl)NC=N1 SBB019096 [1,0,0,0,1,0|1,0,1]=4 106 B8R1.11 CC1=C(CN)SC=C1 SBB028229 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.11 CC1=NNC=C1CN SBB013491 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.11 CC1=NON=C1CCl SBB020409 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.11 CC1=NON=C1CN SBB012978 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.11 CCC1=CC=NN1C SBB026460 [1,0,0,0,1,0|1,0,0]=3 112 B8R1.11 CCC1=CNN=C1N SBB069760 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.11 CCN1N=CC=C1C SBB020345 [1,0,0,0,1,0|1,0,0]=3 114 B8R1.11 CCN1N=CC=C1F SBB116429 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.11 CCN1N=CC=C1I SBB116428 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.11 CCN1N=CC=C1N SBB005554 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.11 CCN1N=NN=C1S SBB066381 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.11 CN1C=CN=C1CCl SBB013849 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.11 CN1C=CN=C1CCl SBB088045 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.11 CN1C=CN=C1CN SBB014295 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.11 CN1C=CN=C1CO SBB054819 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.11 CN1N=CC=C1CCl SBB025039 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.11 CN1N=CC=C1CN SBB021230 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.11 CN1N=CC=C1CO SBB024002 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.11 OCC1=C(C)N=CN1 SBB005865 [1,0,0,0,1,0|1,0,1]=4