0 B9R1.35 CC(=O)C1=CC=C(C)O1 ALBB-002841 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 ALBB-002834 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ALBB-010797 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.35 CC1=CC(C(=O)O)=NO1 ALBB-000121 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.35 CC1=CC(C(N)=O)=NO1 ALBB-014331 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.35 CC1=CC=C(C(=O)Cl)O1 ALBB-028818 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC1=CC=C(C(=O)Cl)S1 ALBB-011191 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=CC=C(C(=O)O)O1 ALBB-026656 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=CC=C(C(=O)O)S1 ALBB-000788 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=NC(C(=N)N)=CS1 ALBB-031227 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC1=NC(C(=O)O)=CO1 ALBB-016466 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.35 CC1=NC=C(C(=O)O)S1 ALBB-024727 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1=NNC(C(=O)O)=C1 ALBB-006653 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CN1C=C(C(=O)O)C=N1 ALBB-000147 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CN1C=CC(C(=O)O)=N1 ALBB-004719 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 NC(=O)C1=CC=C(Br)S1 ALBB-010193 [0,0,0,0,0,0|3,1,0]=4 16 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 ALBB-011190 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 O=C(O)C1=CC(Br)=CS1 ALBB-000933 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.35 O=C(O)C1=CC(Br)=NO1 ALBB-034815 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.35 O=C(O)C1=CC(O)=NO1 ALBB-005422 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 O=C(O)C1=CC=C(Br)S1 ALBB-000786 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.35 O=C(O)C1=CC=C(Cl)S1 ALBB-000787 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 O=C(O)C1=CSC(Br)=N1 ALBB-026644 [0,0,0,0,0,0|1,1,0]=2 25 B8R1.1 CN1C=C(C=O)C=N1 ALBB-000101 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 NC1=NC=C(C=O)S1 ALBB-007812 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 O=CC1=CC=C(Br)O1 ALBB-004687 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.7 CC(=O)C1=CSC=C1 ALBB-005994 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.7 CC(N)C1=CSC=C1 ALBB-021779 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 O=C(O)C1=CN=CS1 ALBB-013700 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)C1=CNC=N1 ALBB-025706 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)C1=COC=C1 ALBB-005990 [1,0,0,0,0,0|0,1,0]=2 33 B8R1.7 O=C(O)C1=CSC=C1 ALBB-012106 [1,0,0,0,0,0|0,0,0]=1 34 B8R1.7 O=C(O)C1=CSN=N1 ALBB-026643 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(O)C1=NC=NN1 ALBB-022317 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 O=C(O)C1=NNC=C1 ALBB-006075 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 OB(O)C1=CSC=C1 ALBB-006096 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.14 CC1=CC(C(=O)NN)=CS1 ALBB-002681 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 ALBB-002875 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.14 COC(=O)C1=CC(O)=NO1 ALBB-005495 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)C1=CC=C(Br)O1 ALBB-005478 [0,1,0,0,0,0|2,1,0]=4 42 B10R1.14 COC(=O)C1=CC=C(C)O1 ALBB-026666 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.14 COC(=O)C1=CC=C(C)S1 ALBB-017974 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.14 COC(=O)C1=CN=C(C)S1 ALBB-024725 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.14 COC(=O)C1=CSC(C)=C1 ALBB-017971 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.14 COC(=O)C1=NC(Cl)=NN1 ALBB-014178 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 ALBB-002748 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 ALBB-034446 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.31 CCC1=CC(C(=O)O)=CS1 ALBB-000922 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.31 CCC1=CC=C(C(=O)O)S1 ALBB-000936 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.31 CCN1C=C(C(=O)O)C=N1 ALBB-000148 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.31 CNC1=NC(C(=O)O)=CS1 ALBB-012923 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.31 O=C(O)C1=CC=C(CO)O1 ALBB-004523 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 ALBB-017969 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.58 CC1=CC(C(=O)O)=NN1C ALBB-006145 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.59 CC1=C(C(=O)O)N=C(Br)N1 ALBB-035291 [0,1,0,0,0,0|2,1,0]=4 57 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 ALBB-035324 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ALBB-004691 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ALBB-004691 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 ALBB-011194 [0,1,0,0,0,0|2,1,0]=4 61 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 ALBB-000792 [0,1,0,0,0,0|1,1,0]=3 62 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 ALBB-032654 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ALBB-015774 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.59 CC1=NN(C)C=C1C(=O)O ALBB-000137 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.59 CN1N=C(Cl)N=C1C(=O)O ALBB-030049 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 ALBB-027680 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.194 CC1=C(C(=O)O)C=CN1C ALBB-021978 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.194 CC1=CC=C(C(=O)O)N1C ALBB-032917 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.194 CC1=NNC(C(=O)O)=C1C ALBB-014182 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.23 C=C(NC(C)=O)C(=O)O ALBB-025854 [0,0,1,0,0,0|2,1,0]=4 71 B10R1.13 CC1=CC=C(C(=O)O)C=N1 ALBB-016354 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ALBB-023898 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.13 NC1=NC=C(C(=O)O)C=C1 ALBB-005967 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 ALBB-012419 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.13 O=C1C=CC(C(=O)O)=CO1 ALBB-033465 [0,0,0,0,0,1|1,1,0]=3 78 B10R1.13 O=C1C=CC(C(=O)O)=NN1 ALBB-005625 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)N=C1 ALBB-013798 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 ALBB-006093 [0,0,0,0,0,1|2,0,1]=4 81 B10R1.54 CC1=NC(CC(=O)O)=CS1 ALBB-015646 [0,0,0,0,0,1|2,0,0]=3 82 B10R1.54 CC1=NC(CC(N)=O)=CS1 ALBB-013398 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 ALBB-004383 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ALBB-016300 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 ALBB-022380 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.113 NC1=CC(C(=O)O)=NC=C1 ALBB-030554 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=C1 ALBB-028821 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 ALBB-022487 [0,0,0,0,0,1|2,1,0]=4 89 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 ALBB-017976 [0,0,0,0,0,1|1,0,0]=2 90 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 ALBB-006092 [0,0,0,0,0,1|2,0,1]=4 91 B7R1.1 NCC1=CSC=C1 ALBB-015182 [2,0,0,0,0,0|1,0,1]=4 92 B7R1.1 NCC1=CSC=C1 ALBB-015182 [2,0,0,0,0,0|1,0,1]=4 93 B9R1.22 CC1=CC(C=O)=C(C)N1 ALBB-032931 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 ALBB-026986 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.11 COC(=O)C1=CC=CN1 ALBB-017977 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.11 COC(=O)C1=NNC=C1 ALBB-003661 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.41 CC1=C(C(=O)O)C=CO1 ALBB-023547 [1,1,0,0,0,0|0,1,0]=3 98 B9R1.41 CC1=C(C(=O)O)C=NN1 ALBB-005391 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.41 CC1=C(C(=O)O)C=NO1 ALBB-005390 [1,1,0,0,0,0|1,1,0]=4 100 B9R1.41 CC1=C(C(=O)O)NC=N1 ALBB-011929 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.41 CC1=C(C(=O)O)SC=C1 ALBB-005998 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.41 CC1=C(C(=O)O)SC=N1 ALBB-016438 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.41 CN1C=CC=C1C(=O)O ALBB-019244 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.41 CN1C=NC=C1C(=O)O ALBB-014972 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.41 CN1N=CC=C1C(=O)O ALBB-000283 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.41 NC(=O)C1=C(N)SC=C1 ALBB-000271 [1,1,0,0,0,0|1,0,0]=3 107 B9R1.41 NC1=C(C(=O)O)C=NN1 ALBB-005479 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.41 O=C(O)C1=C(I)C=NN1 ALBB-003732 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.3 COC1=NC=C(C(=O)O)C=C1 ALBB-028049 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 ALBB-017953 [0,1,0,0,0,1|1,1,0]=4 111 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 ALBB-029043 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 ALBB-006209 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 ALBB-013962 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.21 CN1C=C(C(=O)O)C=CC1=O ALBB-000156 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 ALBB-026895 [0,1,0,0,0,1|1,1,0]=4 116 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 ALBB-032708 [0,1,0,0,0,1|1,1,0]=4 117 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ALBB-026631 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 ALBB-006243 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.22 COC(=O)C1=NC=C(C)N=C1 ALBB-027674 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 ALBB-024415 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 ALBB-030715 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.22 N\C(=N\O)C1=CC=C(Cl)N=C1 ALBB-034077 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 ALBB-036263 [0,1,0,0,0,1|1,1,0]=4 124 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 ALBB-026578 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 ALBB-017532 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 ALBB-005466 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 ALBB-005392 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.166 O=C(Cl)C1=CC=C(Cl)C=C1O ALBB-032119 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 ALBB-025843 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 ALBB-019944 [0,1,0,0,0,1|1,1,0]=4 131 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 ALBB-016298 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.23 N=C(NO)C1=CC=CC(Cl)=C1 ALBB-030253 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.23 NNC(=O)C1=CC(Cl)=NC=C1 ALBB-022372 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 ALBB-018720 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.74 NC(=O)C1=NC(C)=CC(Cl)=C1 ALBB-035132 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 ALBB-006233 [0,1,0,0,0,1|1,0,0]=3 137 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 ALBB-025579 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl ALBB-025048 [0,1,0,0,0,1|1,0,0]=3 139 B11R1.159 NC1=C(C(=O)O)C=CC=C1O ALBB-024973 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 ALBB-006381 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 ALBB-006133 [0,1,0,0,0,1|1,1,0]=4 142 B11R1.167 O=C(O)C1=CC(I)=CN=C1O ALBB-034521 [0,1,0,0,0,1|1,1,0]=4 143 B11R1.266 COC1=NC=CC(C(=O)O)=C1 ALBB-005472 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 ALBB-003944 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 ALBB-003944 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 ALBB-003892 [0,1,0,0,0,1|1,1,0]=4 147 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 ALBB-018626 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 ALBB-018620 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 ALBB-014309 [0,2,0,0,0,0|1,1,0]=4 150 B11R1.15 CCOC(=O)C1=CSC(N)=N1 ALBB-005840 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.15 CCOC(=O)C1=CSC(N)=N1 ALBB-005840 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.44 CCC1=CC(C(=O)NN)=CS1 ALBB-002684 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.44 COC(=O)C1=CC=C(CCl)O1 ALBB-004521 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.225 CC1=CC(C(=O)CBr)=C(C)S1 ALBB-034422 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.225 COC(=O)C1=C(Cl)SC(Cl)=C1 ALBB-029922 [0,2,0,0,0,0|0,0,0]=2 156 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 ALBB-001663 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.225 NNC(=O)C1=C(Cl)SC(Cl)=C1 ALBB-029921 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.865 CC1=C(C)C(C(=O)NN)=CS1 ALBB-002682 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.124 CCCC1=CC(C(=O)O)=CS1 ALBB-000923 [0,2,0,0,0,0|1,0,0]=3 160 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 ALBB-000924 [0,2,0,0,0,0|1,0,0]=3 161 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C ALBB-034115 [0,2,0,0,0,0|2,0,0]=4 162 B11R1.64 CCC1=C(C)SC=C1C(=O)O ALBB-000920 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.2 OCC1=CC(Cl)=NC=C1 ALBB-022369 [1,0,0,0,0,1|1,0,1]=4 164 B9R1.13 O=C(O)CC1=CSC=C1 ALBB-005997 [1,0,0,0,0,1|0,0,0]=2 165 B9R1.13 O=C(O)CC1=CSC=N1 ALBB-018573 [1,0,0,0,0,1|1,0,0]=3 166 B9R1.13 O=C(O)CC1=CSC=N1 ALBB-018573 [1,0,0,0,0,1|1,0,0]=3 167 B9R1.13 O=C(O)CN1C=CN=C1 ALBB-000273 [1,0,0,0,0,1|2,0,0]=4 168 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 ALBB-000141 [0,0,0,0,0,2|2,0,0]=4