0 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 ALBB-016902 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 ALBB-014800 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 ALBB-016500 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 ALBB-022493 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.435 O=C(O)C1=NN2C=CC=NC2=N1 ALBB-005412 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2S1 ALBB-015211 [0,0,0,0,0,0|1,0,2]=3 6 B12R2.32 BrCC1=NC2=CC=CC=C2N1 ALBB-032818 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.32 N#CC1=NC2=CC=CC=C2N1 ALBB-026096 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.32 NCC1=CC2=CC=CC=C2O1 ALBB-024720 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 NCC1=NC2=CC=CC=C2N1 ALBB-000022 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.32 OCC1=NC2=CC=CN=C2N1 ALBB-014854 [1,0,0,0,0,0|2,0,1]=4 11 B14R2.450 CC(=O)C1=C(N)C2=CC=CN=C2O1 ALBB-034060 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.450 CC1=C(C(N)=O)NC2=CC=CC=C21 ALBB-014488 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.450 NC(=O)C1=C(N)C2=CC=CN=C2O1 ALBB-034069 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.450 NC(=O)C1=CC2=CC=CC=C2N1C ALBB-020133 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Cl ALBB-009923 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.972 COC(=N)C1=NC2=CC=CC=C2O1 ALBB-004110 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.972 COC(=O)C1CC2=CC=CC=C2C1 ALBB-034713 [0,1,0,0,0,0|1,0,2]=4 18 B14R2.4529 CC(=O)C1=NC2=CC=C(F)C=C2N1 ALBB-014440 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.4529 CC(O)C1=NC2=CC(Br)=CC=C2N1 ALBB-003891 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 ALBB-028242 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 ALBB-028241 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 ALBB-003800 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=NC2=C1 ALBB-021242 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.768 N=C(N)NC1=NC2=C(C=CC=C2)N1 ALBB-016089 [0,0,0,0,0,1|3,0,0]=4 25 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 ALBB-000189 [0,0,0,0,0,1|1,0,1]=3 26 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 ALBB-010765 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 ALBB-026311 [1,0,1,0,0,0|2,0,0]=4 28 B13R1.133 CC1=CC=C(NC(C)C(=O)O)C=C1 ALBB-033336 [0,1,1,0,0,0|0,0,2]=4 29 B13R2.26 OCCC1=NC2=CC=CC=C2N1 ALBB-012259 [1,1,0,0,0,0|1,0,1]=4 30 B13R2.26 O\N=C\C1=NC2=CC=CC=C2N1 ALBB-024080 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.43 OCC1=CC2=CC(Br)=CC=C2N1 ALBB-005110 [1,1,0,0,0,0|0,0,1]=3 32 B13R2.43 OCC1=NC2=CC(Br)=CC=C2N1 ALBB-003890 [1,1,0,0,0,0|1,0,1]=4 33 B13R2.45 C(=O)C1=C(Cl)C2=CC=CC=C2N1 ALBB-007589 [1,1,0,0,0,0|0,0,0]=2 34 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)N1 ALBB-019973 [0,1,0,0,1,0|2,0,0]=4 35 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O ALBB-016235 [0,1,0,0,0,1|2,0,0]=4 36 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O ALBB-035259 [0,1,0,0,0,1|1,0,1]=4 37 B15R2.4190 O=CC1=C(C(=O)O)NC2=CC=CC=C21 ALBB-020084 [0,2,0,0,0,0|0,0,0]=2 38 B15R2.7203 CC1=C(C(=O)O)NC2=CC=C(Br)C=C21 ALBB-014500 [0,2,0,0,0,0|0,0,0]=2 39 B15R2.7203 CN1C(C(=O)O)=CC2=CC=C(Cl)C=C21 ALBB-022902 [0,2,0,0,0,0|0,0,0]=2 40 B15R2.13629 CC1=CC=CC2=C1C(Cl)=C(C(=O)Cl)S2 ALBB-011348 [0,2,0,0,0,0|2,0,0]=4 41 B15R2.13629 CC1=CC=CC2=C1C(Cl)=C(C(=O)O)S2 ALBB-000956 [0,2,0,0,0,0|1,0,0]=3 42 B15R2.13629 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2Br)S1 ALBB-011349 [0,2,0,0,0,0|2,0,0]=4 43 B15R2.13629 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2Cl)S1 ALBB-011350 [0,2,0,0,0,0|2,0,0]=4 44 B15R2.13629 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2F)S1 ALBB-011334 [0,2,0,0,0,0|2,0,0]=4 45 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2Br)S1 ALBB-000957 [0,2,0,0,0,0|1,0,0]=3 46 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)Cl)S2 ALBB-011345 [0,2,0,0,0,0|2,0,0]=4 47 B15R2.14758 CC1=CC=C2C(=C1)C=C(C(=O)O)N2C ALBB-014293 [0,2,0,0,0,0|0,0,0]=2 48 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(Cl)=C2 ALBB-007750 [0,2,0,0,0,0|0,0,0]=2 49 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Br)C=C2)S1 ALBB-011347 [0,2,0,0,0,0|2,0,0]=4 50 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 ALBB-011344 [0,2,0,0,0,0|2,0,0]=4 51 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(F)C=C2)S1 ALBB-011343 [0,2,0,0,0,0|2,0,0]=4 52 B15R2.1590 CNC(=O)C1=CC2=CC(N)=CC=C2S1 ALBB-010430 [0,2,0,0,0,0|2,0,0]=4 53 B15R2.13459 CC1=C2N=C(S(=O)(=O)O)NC2=CC=C1 ALBB-004066 [0,2,0,0,0,0|2,0,0]=4 54 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)S2 ALBB-028260 [0,2,0,0,0,0|1,0,0]=3 55 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 ALBB-000151 [0,2,0,0,0,0|0,0,0]=2 56 B15R2.15633 CC1=C2NC(C(=O)O)=CC2=CC(Cl)=C1 ALBB-027792 [0,2,0,0,0,0|0,0,0]=2 57 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 ALBB-012877 [0,0,1,0,1,0|2,0,0]=4 58 B13R1.351 CC(=O)\C(Cl)=N/NC1=CC=CC=C1 ALBB-032222 [0,0,1,0,0,1|2,0,0]=4 59 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 ALBB-007354 [1,0,0,0,0,1|1,0,0]=3