0 B11R1.40 CCC(=O)CC1=CC=CC=C1 ALBB-022774 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CNC(C)CC1=NC=CN=C1 ALBB-011864 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.40 NNC(=O)CC1=CC=CC=C1 ALBB-001037 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 NNC(=O)NC1=CC=CC=C1 ALBB-002786 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 NNC(=O)NC1=CC=CC=C1 ALBB-002786 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 NNC(=S)NC1=CC=CC=C1 ALBB-002787 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 BrCCOC1=CC=CC=C1 ALBB-031662 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 C=CCNC1=CC=CC=C1 ALBB-032919 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 CCCNC1=CC=CC=C1 ALBB-023698 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 O=C=NCC1=CC=CC=C1 ALBB-007528 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 OCCCC1=CC=NC=C1 ALBB-025787 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 CC(=O)CC1=NC=CC=C1 ALBB-014921 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 CC(N)CC1=NC=CN=C1 ALBB-014356 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.18 CC(O)CC1=NC=CC=C1 ALBB-014213 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.18 CC(O)CC1=NC=CN=C1 ALBB-011865 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.32 CCOC(=N)CC1=CC=CC=C1 ALBB-033245 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 ALBB-026088 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 ALBB-001061 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O ALBB-033299 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl ALBB-010820 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O ALBB-000255 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 ALBB-007085 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 ALBB-022754 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 ALBB-001041 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 ALBB-001040 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 ALBB-020997 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 ALBB-002667 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 ALBB-032120 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.50 NNC(=O)CC1=CC=CC(F)=C1 ALBB-007083 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.50 NNC(=O)CC1=CC=CC(O)=C1 ALBB-032121 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.118 CCC(CN)CC1=CC=CC=C1 ALBB-027063 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 ALBB-024920 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.371 CC1=C(CC(=O)NN)C=CC=C1 ALBB-031003 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 ALBB-002696 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.371 OC1=C(CC(Br)CBr)C=CC=C1 ALBB-033755 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 ALBB-009345 [0,0,0,1,0,0|2,0,1]=4 45 B12R2.18 CN1C2=CC=CC=C2N=C1S ALBB-017608 [0,0,0,1,0,0|2,0,1]=4 46 B12R2.24 CC1CCC2=CC=CC=C2N1 ALBB-025689 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.24 CC1CNC2=CC=CC=C2O1 ALBB-020595 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.24 CC1CNC2=CC=CC=C2O1 ALBB-020595 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.32 OCC1CC2=CC=CC=C2O1 ALBB-033756 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.15 CCC(N)C1=CC=CC=C1 ALBB-001474 [0,0,0,0,1,0|2,0,0]=3 51 B10R1.15 CNC(C)C1=CC=CC=C1 ALBB-016485 [0,0,0,0,1,0|0,0,0]=1 52 B10R1.15 COC(=N)C1=CC=CC=C1 ALBB-033150 [0,0,0,0,1,0|2,0,1]=4 53 B10R1.15 OC(CBr)C1=CC=CC=C1 ALBB-030701 [0,0,0,0,1,0|3,0,0]=4 54 B12R1.27 NCC(O)COC1=CC=CC=C1 ALBB-005443 [0,0,0,0,0,1|3,0,0]=4 55 B12R1.27 NNC(=O)CCC1=CC=CC=C1 ALBB-001043 [0,0,0,0,0,1|2,0,1]=4 56 B12R1.27 NNC(=O)COC1=CC=CC=C1 ALBB-001028 [0,0,0,0,0,1|2,0,1]=4 57 B12R1.27 NNC(=O)CSC1=CC=CC=C1 ALBB-024919 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.1 CCCOC1=CC=C(N)C=C1 ALBB-025751 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.1 CCCOC1=CC=C(N)C=C1 ALBB-025751 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.16 CNCC(O)C1=CC=CC=C1 ALBB-031903 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.16 OC(CCCl)C1=CC=CC=C1 ALBB-004119 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.17 CCCOC1=C(N)C=CC=C1 ALBB-020970 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.17 CCCOC1=C(N)C=CC=C1 ALBB-020970 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.24 CCCNC1=CC(C)=CC=C1 ALBB-007151 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.24 CCCNC1=CC(Cl)=CC=C1 ALBB-007152 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 NCCCSC1=CC=CC=C1 ALBB-024257 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 NCCNCC1=CC=CC=C1 ALBB-007205 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.28 NCCOCC1=CC=CC=C1 ALBB-010244 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.28 NCCOCC1=CC=CC=C1 ALBB-010244 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.28 NCCSCC1=CC=CC=C1 ALBB-013371 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.28 NCCSCC1=CC=CC=C1 ALBB-013371 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.28 O=C=NCCC1=CC=CC=C1 ALBB-007537 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.91 C=C(C)COC1=CC=CC=C1 ALBB-031904 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.91 CC(C)NCC1=CC=CC=C1 ALBB-005976 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.20 CC(C)NC1=CC=C(O)C=C1 ALBB-034567 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 ALBB-005493 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 ALBB-034272 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 ALBB-026956 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.36 CC(C)C(N)C1=CC=CC=C1 ALBB-027100 [1,1,0,0,0,0|0,0,0]=2 89 B11R1.36 CC(C)C(N)C1=CC=CC=C1 ALBB-027100 [1,1,0,0,0,0|0,0,0]=2 90 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 ALBB-019794 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.86 CC(C)OC1=CC=CC=C1N ALBB-019151 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.86 CC(C)OC1=CC=CC=C1N ALBB-019151 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.86 CC1=CC=CN=C1CC(C)O ALBB-014212 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 ALBB-026957 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.86 NC(=O)CC1=CC=CC=C1O ALBB-026230 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.157 CC(C)OC1=CC=CC(N)=C1 ALBB-004717 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.157 CC1=CC(CC(C)O)=NC=C1 ALBB-014211 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.157 CC1=CC=CC(CC(C)O)=N1 ALBB-011863 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ALBB-004943 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 ALBB-012223 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.12 COC(OC)C1=CC=NC=C1 ALBB-033144 [0,1,0,0,1,0|2,0,0]=4 102 B11R1.12 COC(OC)C1=CN=CC=C1 ALBB-033136 [0,1,0,0,1,0|2,0,0]=4 103 B11R1.12 COC(OC)C1=NC=CC=C1 ALBB-033138 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.22 CCC(N)C1=CC=C(C)C=C1 ALBB-001475 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 ALBB-002128 [0,1,0,0,1,0|2,0,0]=4 106 B11R1.22 CCN(C)C1=CC=C(N)C=C1 ALBB-032294 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 ALBB-012016 [0,1,0,0,1,0|1,0,1]=4 108 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 ALBB-002184 [0,1,0,0,1,0|1,0,1]=4 109 B11R1.22 CNC(C)C1=CC=C(F)C=C1 ALBB-004046 [0,1,0,0,1,0|0,0,0]=2 110 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 ALBB-002127 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 ALBB-009487 [0,1,0,0,1,0|1,0,1]=4 112 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 ALBB-018686 [0,1,0,0,1,0|1,0,1]=4 113 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 ALBB-024721 [0,1,0,0,1,0|1,0,1]=4 114 B13R1.42 CCCC(C)NCC1=CC=CC=C1 ALBB-012473 [0,1,0,0,0,1|1,0,0]=3 115 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 ALBB-012476 [0,1,0,0,0,1|1,0,0]=3 116 B13R1.417 BrCC(CBr)OCC1=CC=CC=C1 ALBB-027965 [0,1,0,0,0,1|2,0,0]=4 117 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 ALBB-003611 [0,1,0,0,0,1|1,0,1]=4 118 B13R1.44 CN(CCCN)CC1=CC=CC=C1 ALBB-021026 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.79 CCN(CCN)CC1=CC=CC=C1 ALBB-007308 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.133 CC(CC1=CC=C(N)C=C1)[N+](=O)[O-] ALBB-013746 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.133 CN(C)C(=O)CC1=CC=C(Br)C=C1 ALBB-009557 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.25 CNC(C)CCC1=CC=CO1 ALBB-006732 [0,0,1,1,0,0|1,0,1]=4 123 B11R2.1 CN1N=NC2=CC=CC=C21 ALBB-027917 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.1 NC1CCC2=C1C=CC=C2 ALBB-006191 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.20 C1=CC=C2OCCCC2=C1 ALBB-025929 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.40 NC1(C2=CC=CC=C2)CC1 ALBB-018263 [0,0,0,1,1,0|2,0,0]=4 127 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 ALBB-027977 [0,1,0,1,0,0|0,0,2]=4 128 B13R2.45 CN1C2=CC=CC=C2N=C1CBr ALBB-018719 [0,1,0,1,0,0|1,0,1]=4 129 B13R2.45 CN1C2=CC=CC=C2N=C1CCl ALBB-017812 [0,1,0,1,0,0|1,0,1]=4 130 B13R2.45 CN1C2=CC=CC=C2N=C1CN ALBB-010696 [0,1,0,1,0,0|1,0,1]=4 131 B13R2.45 CN1C2=CC=CC=C2N=C1CO ALBB-005904 [0,1,0,1,0,0|1,0,1]=4 132 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 ALBB-014689 [0,1,0,1,0,0|1,0,1]=4 133 B13R2.369 CC1NC2=CC=CC=C2NC1C ALBB-024595 [0,1,0,1,0,0|2,0,0]=4 134 B13R2.369 CC1NC2=CC=CC=C2NC1C ALBB-024595 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 ALBB-025362 [0,1,0,1,0,0|2,0,0]=4 136 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 ALBB-025871 [0,1,0,1,0,0|2,0,0]=4 137 B13R2.5190 CN1C(=O)CC2=CC(Br)=CC=C21 ALBB-008752 [0,1,0,1,0,0|1,0,1]=4 138 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O ALBB-015269 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.6 CC(N)C1=CC=CC=C1 ALBB-032928 [1,0,0,0,1,0|0,0,0]=2 140 B9R1.6 CC(N)C1=CC=NC=C1 ALBB-000302 [1,0,0,0,1,0|1,0,0]=3 141 B9R1.6 CC(N)C1=CN=CC=C1 ALBB-002136 [1,0,0,0,1,0|1,0,0]=3 142 B9R1.6 CC(N)C1=NC=CC=C1 ALBB-002135 [1,0,0,0,1,0|1,0,0]=3 143 B9R1.13 CC(C)CN1C=CC=N1 ALBB-032864 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [1,0,0,0,1,0|1,0,0]=3 145 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [1,0,0,0,1,0|1,0,0]=3 146 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [1,0,0,0,1,0|1,0,0]=3 147 B13R1.718 CC(CO)CNCC1=CC=CC=C1 ALBB-018178 [0,0,0,0,0,2|2,0,0]=4