0 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.112 N#CCC1=CC=C2C=CC=CC2=C1 SBB067059 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.112 O=C=NC1=CC2=CC=CC=C2C=C1 SBB048884 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 SBB096089 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.57 C(=O)C1=CC2=C(C=CC=C2)C=C1 SBB058891 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 SBB061449 [1,0,0,0,0,0|0,0,0]=1 7 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 SBB008352 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.57 COC1=CC=C2C=CC=CC2=C1 SBB060603 [1,0,0,0,0,0|0,0,0]=1 9 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 SBB088950 [1,0,0,0,0,0|0,1,0]=2 10 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 SBB005573 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SBB054957 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 SBB059611 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 SBB056019 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 SBB056016 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 SBB002488 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.57 NCC1=CC2=C(C=C1)N=CC=C2 SBB025621 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 SBB010402 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 SBB019277 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 SBB015367 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SBB066349 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SBB041647 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SBB017941 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SBB019424 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SBB004007 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 SBB025618 [1,0,0,0,0,0|2,0,0]=3 26 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 SBB061521 [0,1,0,0,0,0|1,0,0]=2 27 B15R2.352 N#CCOC1=CC2=CC=CC=C2C=C1 SBB015550 [0,1,0,0,0,0|0,0,1]=2 28 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 SBB018389 [0,1,0,0,0,0|0,0,0]=1 29 B15R2.352 OCC#CC1=CN=C2C=CC=CC2=C1 SBB090048 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.352 OCCOC1=CC2=C(C=CC=C2)C=C1 SBB049570 [0,1,0,0,0,0|0,0,0]=1 31 B15R2.1601 CNC(C)C1=CC2=CC=CC=C2C=C1 SBB080478 [0,1,0,0,0,0|2,0,0]=3 32 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 SBB053994 [0,1,0,0,0,0|3,0,0]=4 33 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 SBB053992 [0,1,0,0,0,0|3,0,0]=4 34 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 SBB000263 [0,1,0,0,0,0|3,0,0]=4 35 B15R2.1601 NCC(O)C1=CC2=CC=CC=C2C=C1 SBB054880 [0,1,0,0,0,0|2,0,0]=3 36 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 SBB090426 [0,1,0,0,0,0|3,0,0]=4 37 B15R2.1601 O=C(CBr)C1=CC2=C(C=CC=C2)C=C1 SBB000883 [0,1,0,0,0,0|2,0,0]=3 38 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)C=C1 SBB043508 [0,1,0,0,0,0|2,0,1]=4 39 B15R2.10252 CCCC1=CC2=C(C=C1)C=C(O)C=C2 SBB008630 [0,1,0,0,0,0|1,0,0]=2 40 B15R2.10252 CCOC1=CC2=C(C=C1)N=C(C)C=C2 SBB059377 [0,1,0,0,0,0|1,0,0]=2 41 B15R2.10252 CCOC1=CC2=CC=C(Br)C=C2C=C1 SBB039973 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [0,0,1,0,0,0|1,0,2]=4 43 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [0,0,1,0,0,0|2,0,1]=4 44 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,0,1,0,0,0|1,0,0]=2 45 B13R1.470 CCOC(=O)CC1=CC=CC=C1Br SBB053727 [0,0,1,0,0,0|2,0,1]=4 46 B13R2.1 OCCC1=CNC2=C1C=CC=C2 SBB003950 [0,0,0,0,1,0|3,0,0]=4 47 B13R2.26 CCCC1=NC2=CC=CC=C2N1 SBB042551 [0,0,0,0,1,0|3,0,0]=4 48 B13R2.26 CCSC1=NC2=CC=CC=C2N1 SBB045190 [0,0,0,0,1,0|2,1,0]=4 49 B13R2.26 CNCC1=CC2=C(C=CC=C2)S1 SBB094868 [0,0,0,0,1,0|3,0,0]=4 50 B13R2.26 CNCC1=CC2=CC=CC=C2S1 SBB109117 [0,0,0,0,1,0|3,0,0]=4 51 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [1,0,1,0,0,0|1,0,0]=3 52 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 SBB085314 [1,0,1,0,0,0|2,0,0]=4 54 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 SBB001559 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 SBB059386 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 SBB054600 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 SBB093966 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 SBB059125 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 SBB059301 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [2,0,0,0,0,0|0,0,0]=2 62 B12R2.24 CC1=CC=C2N=CC=NC2=C1 SBB086354 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SBB042157 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 SBB086356 [2,0,0,0,0,0|1,0,0]=3 66 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 SBB086530 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.24 IC1=CC=C2N=CC=CC2=C1 SBB054593 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 SBB008124 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004125 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004128 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 NC1=CC2=CC=CC=C2C=N1 SBB051996 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 NC1=CC2=CN=CC=C2C=C1 SBB069969 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [2,0,0,0,0,0|1,0,0]=3 76 B12R2.24 NC1=CC=C2N=CC=CC2=C1 SBB004130 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [2,0,0,0,0,0|1,0,0]=3 81 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [2,0,0,0,0,0|0,0,0]=2 82 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SBB056018 [2,0,0,0,0,0|1,0,0]=3 83 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SBB004117 [2,0,0,0,0,0|1,0,0]=3 84 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 OC1=NC2=NC=CC=C2C=C1 SBB081927 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [2,0,0,0,0,0|0,1,0]=3 87 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [0,1,1,0,0,0|1,0,1]=4 88 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [0,1,1,0,0,0|1,0,0]=3 89 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 SBB057810 [0,1,1,0,0,0|2,0,0]=4 90 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [0,1,1,0,0,0|2,0,0]=4 91 B14R1.142 CCOC1=CC=C(\C=C\C(=O)Cl)C=C1 SBB050871 [0,1,1,0,0,0|1,0,0]=3 92 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 SBB043517 [0,1,1,0,0,0|1,0,0]=3 93 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 SBB048281 [0,1,1,0,0,0|1,0,0]=3 94 B14R2.92 O=NC1=CC=C2C=CC=CC2=C1O SBB056835 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 SBB088422 [1,1,0,0,0,0|1,0,1]=4 96 B14R2.134 COC1=CC2=C(C=C1)N=CC(N)=C2 SBB051580 [1,1,0,0,0,0|1,0,0]=3 97 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 SBB072750 [1,1,0,0,0,0|0,0,0]=2 98 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 SBB091638 [1,1,0,0,0,0|1,0,0]=3 99 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 SBB040253 [1,1,0,0,0,0|0,0,1]=3 100 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [1,1,0,0,0,0|0,0,0]=2 101 B14R2.781 CC(O)C1=CC=C2C=CC=CC2=C1 SBB068441 [1,1,0,0,0,0|0,0,0]=2 102 B14R2.781 NC(=S)C1=CC=C2C=CC=CC2=C1 SBB090620 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 SBB058791 [1,1,0,0,0,0|1,0,1]=4 104 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 SBB061633 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)C=C1 SBB088564 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.781 [C@@H](C)(N)C1=CC=C2C=CC=CC2=C1 SBB003846 [1,1,0,0,0,0|0,0,0]=2 107 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)N1 SBB088917 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.1019 COC1=CC2=C(N=CC=C2)C(N)=C1 SBB014274 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl SBB303375 [1,1,0,0,0,0|1,0,0]=3 110 B14R2.1801 COC1=CC2=C(C=C1)[N+]([O-])=CC=C2 SBB005919 [1,1,0,0,0,0|1,0,0]=3 111 B14R2.2332 CC1=CC2=C(C=C1)N=C(CN)C=C2 SBB019253 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=N1 SBB088772 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 SBB059487 [1,1,0,0,0,0|0,0,0]=2 114 B14R2.2332 COC1=CC2=C(C=C1)N=C(C)C=C2 SBB059281 [1,1,0,0,0,0|1,0,0]=3 115 B14R2.2332 N#CC1=CC2=C(C=C1)C=C(O)C=C2 SBB059370 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 SBB052354 [1,1,0,0,0,0|1,0,1]=4 117 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,1,0,0,1,0|1,0,1]=4 118 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 SBB018018 [0,1,0,0,1,0|1,1,0]=4 119 B14R2.95 CCC(=O)C1=CNC2=CC=CC=C21 SBB080593 [0,1,0,0,1,0|2,0,0]=4 120 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 SBB058029 [0,1,0,0,1,0|2,0,0]=4 121 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(S)S2 SBB007712 [0,1,0,0,1,0|2,0,0]=4 122 B14R2.6400 CCOC1=CC2=C(C=C1)NC(S)=N2 SBB091783 [0,1,0,0,1,0|2,0,0]=4 123 B14R2.6400 NC1=NC2=C(C=C(OCC)C=C2)S1 SBB003602 [0,1,0,0,1,0|2,0,0]=4 124 B16R2.477 OC(=O)COC1=CC=C2C=CC=CC2=C1 SBB003523 [0,2,0,0,0,0|0,0,1]=3 125 B16R2.767 CCOC(=O)C1=CC2=C(C=CC=C2)C=N1 SBB092773 [0,2,0,0,0,0|1,0,0]=3 126 B16R2.767 CCOC(=O)C1=NC2=CC=CC=C2C=C1 SBB013680 [0,2,0,0,0,0|1,0,0]=3 127 B16R2.1054 CC1=CC(NCCN)=NC2=C1C=CC=C2 SBB011012 [0,2,0,0,0,0|2,0,0]=4 128 B16R2.64 CCOC1=NC2=CC=CC=C2C=C1C=O SBB301931 [0,2,0,0,0,0|1,0,0]=3 129 B16R2.150515 CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2 SBB010011 [0,2,0,0,0,0|1,0,0]=3 130 B16R2.33799 COC(=O)C1=CC=C2C=C(Br)C=CC2=C1 SBB067056 [0,2,0,0,0,0|2,0,0]=4 131 B16R2.83538 CC(=O)NC1=CC=C2C=CC=CC2=C1Br SBB102761 [0,2,0,0,0,0|1,0,1]=4 132 B16R2.28256 C(=O)C1=C(OCC)C=CC2=CC=CC=C21 SBB005569 [0,2,0,0,0,0|0,0,0]=2 133 B14R2.7150 BrCCC1=CC=CC2=C1C=CC=C2 SBB008158 [0,0,1,1,0,0|2,0,0]=4 134 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 SBB072179 [0,0,1,1,0,0|1,0,0]=3 135 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 SBB058064 [0,0,1,1,0,0|0,0,0]=2 136 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 SBB019200 [0,0,1,1,0,0|2,0,0]=4 137 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 SBB088674 [0,0,1,1,0,0|2,0,0]=4 138 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 SBB049783 [0,0,0,1,1,0|2,0,0]=4 139 B16R3.2273 CC1=NC2=CC3=C(C=CC=C3)C=C2O1 SBB059263 [0,1,0,1,0,0|0,0,1]=3 140 B16R3.335 CC1=NC2=C(C=CC3=CC=CC=C32)S1 SBB057460 [0,1,0,1,0,0|0,1,1]=4 141 B16R3.335 CC1=NC2=C(S1)C3=CC=CC=C3C=C2 SBB012397 [0,1,0,1,0,0|1,0,1]=4 142 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 SBB001549 [0,0,1,0,1,0|2,0,0]=4 143 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 SBB064139 [0,0,1,0,1,0|2,0,0]=4 144 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SBB065109 [0,0,1,0,1,0|2,0,0]=4 145 B12R1.308 CCOC(=O)C1=CC=CC=C1C SBB064989 [0,0,1,0,1,0|1,0,1]=4 146 B12R1.308 CCOC(=O)C1=CC=CC=C1F SBB064678 [0,0,1,0,1,0|2,0,0]=4 147 B12R1.308 CCOC(=O)C1=CC=CC=C1N SBB064986 [0,0,1,0,1,0|2,0,0]=4 148 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [0,0,1,0,1,0|2,0,0]=4 149 B12R2.1 OCC1=CNC2=C1C=CC=C2 SBB004095 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.32 CCC1=NC2=CC=CC=C2N1 SBB017222 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SBB021214 [1,0,0,0,1,0|2,0,0]=4 152 B12R2.32 NCC1=CC2=CC=CC=C2O1 SBB072101 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 SBB087818 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.44 COC1=CC=C2C=CNC2=C1 SBB055970 [1,0,0,0,1,0|1,0,0]=3 155 B12R2.44 COC1=CC=C2NC=NC2=C1 SBB086586 [1,0,0,0,1,0|2,0,0]=4 156 B12R2.44 N1C=CC2=C1C=CC(OC)=C2 SBB004094 [1,0,0,0,1,0|1,0,0]=3 157 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 SBB019195 [1,0,0,0,1,0|2,0,0]=4 158 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 SBB025642 [1,0,0,0,1,0|2,0,0]=4 159 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 SBB018705 [1,0,0,0,1,0|2,0,0]=4 160 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 SBB018694 [1,0,0,0,1,0|2,0,0]=4