0 B10R1.61 CC1=CC=CC=C1C(C)N ALBB-027087 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 CC1=CC=CN=C1C(C)N ALBB-011807 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 CC1=CN=CC=C1C(=O)O ALBB-031683 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 CN(C)C1=NC=CC=C1N ALBB-016463 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 CN(C)C1=NC=CN=C1Cl ALBB-034785 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 ALBB-016422 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 O=C(O)C1=C(S)N=CC=C1 ALBB-005999 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(N)C1=CN=CC=C1 ALBB-002136 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 CC(N)C1=NC=CC=C1 ALBB-002135 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 N=C(N)C1=CN=CC=N1 ALBB-006156 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 NC(=S)C1=CN=CC=C1 ALBB-014818 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.6 NC(=S)C1=NC=CN=C1 ALBB-014819 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.15 CC1=CC=CN=C1NN ALBB-011831 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 CC1=NC=CC=C1CCl ALBB-022808 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 CC1=NC=CN=C1CCl ALBB-034188 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.15 NC1=NC=CC=C1C=O ALBB-029924 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 O=CC1=CC=CN=C1Cl ALBB-028016 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 O=CC1=CC=CNC1=O ALBB-022939 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.53 CNC1=NC=CC=C1C(=O)O ALBB-004269 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.53 CNC1=NC=CC=C1[N+](=O)[O-] ALBB-016182 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.53 CSC1=CC=CC=C1C(=O)O ALBB-023339 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 ALBB-005466 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 ALBB-005392 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 ALBB-017940 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 CC1=CC=C(C)C(C(=O)Cl)=C1 ALBB-034794 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 O=C(O)C1=CC(I)=CN=C1O ALBB-034521 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.222 CCC(N)C1=NC=CC=C1C ALBB-011816 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 ALBB-018686 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 ALBB-024721 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.222 COC(=O)C1=CC=CN=C1N ALBB-030657 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.222 COC(=O)C1=CC=CNC1=O ALBB-034118 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 ALBB-021379 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.1 CC1=NNC2=NC=CC=C12 ALBB-031559 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.1 O=C1NCC2=CC=CC=C12 ALBB-012842 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.41 CC1=C(C(=O)Cl)C=NO1 ALBB-005417 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.41 CC1=C(C(=O)O)C=CO1 ALBB-023547 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.41 CC1=C(C(=O)O)C=NN1 ALBB-005391 [0,0,0,0,1,0|2,0,1]=4 37 B9R1.41 CC1=C(C(=O)O)C=NO1 ALBB-005390 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.41 CC1=C(C(=O)O)NC=N1 ALBB-011929 [0,0,0,0,1,0|1,0,1]=3 39 B9R1.41 CC1=C(C(=O)O)SC=C1 ALBB-005998 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.41 CC1=C(C(=O)O)SC=N1 ALBB-016438 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.41 CC1=C(C(=O)O)SN=N1 ALBB-013993 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.41 CC1=NNC=C1[N+](=O)[O-] ALBB-027177 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.41 CN1C=CC=C1C(=O)O ALBB-019244 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.41 CN1C=CN=C1C(=O)O ALBB-026373 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.41 CN1N=CC=C1C(=O)O ALBB-000283 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.41 NC(=O)C1=C(N)SC=C1 ALBB-000271 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.41 NC(=O)C1=NON=C1N ALBB-006702 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.41 NC1=C(C(=O)[O-])SC=C1 ALBB-014295 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.41 NC1=NON=C1C(=O)O ALBB-010240 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 ALBB-006008 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.86 CC(=O)NC1=NC=CC=C1O ALBB-005866 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.86 CC1=C(CC(=O)Cl)C=CC=C1 ALBB-031004 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.86 CC1=CC=CN=C1CC(C)O ALBB-014212 [0,0,0,0,0,1|1,0,2]=4 54 B8R1.2 OCC1=NC=CN=C1 ALBB-022758 [2,0,0,0,0,0|0,0,2]=4 55 B8R1.2 OCC1=NC=CN=C1 ALBB-022758 [2,0,0,0,0,0|0,0,2]=4 56 B10R1.13 CC1=CC=C(C(=O)O)C=N1 ALBB-016354 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ALBB-023898 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 NC1=NC=C(C(=O)O)C=C1 ALBB-005967 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.15 COC(=N)C1=CC=CC=N1 ALBB-033273 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.15 COC(=N)C1=CC=CN=C1 ALBB-033274 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.15 COC(=N)C1=NC=CN=C1 ALBB-017789 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.15 COC(=O)C1=NC=CN=C1 ALBB-014717 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.15 NNC(=O)C1=CC=CC=N1 ALBB-001060 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.15 NNC(=O)C1=CN=CC=C1 ALBB-025730 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.15 NNC(=O)C1=NC=CN=C1 ALBB-005884 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.15 N\C(=N/O)C1=NC=CN=C1 ALBB-014816 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 ALBB-022380 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.113 NC1=CC(C(=O)O)=NC=C1 ALBB-030554 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 ALBB-022487 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 ALBB-017976 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.20 COC1=NC=CC=C1CN ALBB-014537 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.39 CCN1N=CC=C1C(=O)O ALBB-003737 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.39 CCN1N=CC=C1C(C)=O ALBB-012541 [0,1,0,0,1,0|1,0,0]=3 74 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 ALBB-031833 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 ALBB-004736 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 ALBB-004736 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.59 CC1=C(C(=O)O)N=C(Br)N1 ALBB-035291 [0,1,0,0,1,0|1,0,1]=4 78 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 ALBB-035324 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ALBB-004691 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ALBB-004691 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 ALBB-011194 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 ALBB-000792 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 ALBB-032654 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ALBB-015774 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 ALBB-031404 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.59 CC1=NN(C)C=C1C(=O)O ALBB-000137 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.59 CN1N=C(Br)N=C1C(=O)[O-] ALBB-033526 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.59 CN1N=C(Cl)N=C1C(=O)O ALBB-030049 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.65 CN1C=CN=C1S(C)(=O)=O ALBB-035318 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.149 CC1=C(C(=O)NN)C=CO1 ALBB-002496 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.149 CC1=C(C(=O)NN)SC=C1 ALBB-002529 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.149 CNC(=O)C1=CC=CN1C ALBB-035365 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.149 COC(=O)C1=C(C)N=CS1 ALBB-032747 [0,1,0,0,1,0|1,0,0]=3 94 B10R1.149 COC(=O)C1=C(N)SC=C1 ALBB-002018 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.149 COC(=O)C1=NC=NN1C ALBB-034865 [0,1,0,0,1,0|1,0,0]=3 96 B10R1.192 CC1=NOC(C)=C1C(=O)Cl ALBB-010038 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.192 CC1=NOC(C)=C1C(=O)O ALBB-000199 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.192 CN1N=CC(Br)=C1C(=O)O ALBB-004720 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.192 CN1N=CC(I)=C1C(=O)O ALBB-004721 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 ALBB-000360 [0,1,0,0,1,0|1,0,1]=4 101 B10R1.194 CC1=C(C(=O)O)C=CN1C ALBB-021978 [0,1,0,0,1,0|1,0,1]=4 102 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1C ALBB-020408 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.233 CC(=O)NC1=CC=C(O)C=C1C ALBB-033428 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 ALBB-010529 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.371 CC1=CC=CC=C1NC(=O)CCl ALBB-002260 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 ALBB-004400 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.77 CNC(=O)C1=C(CO)C=CC=C1 ALBB-023845 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.77 COC(=O)C1=C(SC)C=CC=C1 ALBB-024142 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.77 COC(=O)C1=CC=CC=C1CBr ALBB-018007 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.283 CCOC1=CC=CC=C1C(C)=O ALBB-002912 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C ALBB-022477 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 ALBB-023509 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.232 CC(=O)C1=C(C)C=C(C)C(C)=C1 ALBB-005962 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 ALBB-027290 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.1703 COC(=O)C1=C(C)N=C(N)N=C1 ALBB-014076 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Cl ALBB-036471 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C ALBB-002888 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.64 CC(=O)CN1C=CN=C1C ALBB-012024 [0,0,1,1,0,0|0,0,2]=4 119 B12R2.24 O=C1CSC2=NC=CC=C2N1 ALBB-033925 [0,0,0,1,0,1|2,0,0]=4 120 B12R2.202 CC1=C2NC(=O)CC2=CC=C1 ALBB-014697 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.1081 O=C1CCOC2=CC=CC=C12 ALBB-019685 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.1081 O=C1CCSC2=C1C=CC=C2 ALBB-021273 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.7 CC(=O)C1=CSC=C1 ALBB-005994 [1,0,0,0,1,0|1,0,0]=3 124 B8R1.7 O=C(O)C1=CN=CS1 ALBB-013700 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.7 O=C(O)C1=CNC=N1 ALBB-025706 [1,0,0,0,1,0|1,0,1]=4 126 B8R1.7 O=C(O)C1=COC=C1 ALBB-005990 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.7 O=C(O)C1=CSC=C1 ALBB-012106 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.7 O=C(O)C1=NC=NN1 ALBB-022317 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.7 O=C(O)C1=NNC=C1 ALBB-006075 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.11 CC1=C(C=O)NC=N1 ALBB-017806 [1,0,0,0,1,0|0,0,1]=3 131 B8R1.11 CC1=C(C=O)SC=N1 ALBB-006041 [1,0,0,0,1,0|1,0,0]=3 132 B8R1.11 CN1C=CN=C1C=O ALBB-026322 [1,0,0,0,1,0|1,0,0]=3 133 B8R1.11 O=CC1=C(Cl)N=CS1 ALBB-026998 [1,0,0,0,1,0|2,0,0]=4 134 B12R1.125 CC(=O)C#CC1=CC=CC=C1C ALBB-029861 [0,0,0,0,0,2|2,0,0]=4