0 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.15 NCC1=CC=CN=C1Cl ALBB-022798 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 ALBB-013779 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.167 NC(=O)C1=NC(N)=NC=C1Br ALBB-034136 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 ALBB-016410 [0,1,0,0,0,0|2,0,1]=4 16 B11R2.1 NC1=NNC2=NC=CC=C12 ALBB-004826 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.1 NC1=NOC2=C1N=CC=N2 ALBB-026490 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.1 NC1=NOC2=NC=CC=C12 ALBB-008891 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.41 CN1N=CC=C1C(N)=O ALBB-016314 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.41 NC(=O)C1=C(Br)C=NN1 ALBB-013426 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.41 NC(=O)C1=C(Cl)C=NN1 ALBB-013433 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.41 NC(=O)C1=C(N)C=NN1 ALBB-013991 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.113 CC(N)C1=CC=CC(O)=C1 ALBB-019157 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.2 CN1C=CC=C(C=O)C1=O ALBB-026635 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.4 CC1=CC=CC=C1CNN ALBB-012492 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.25 NCC1=C(O)C=C(O)C=C1 ALBB-014856 [1,1,0,0,0,0|0,0,1]=3 30 B10R1.149 CNC(=O)C1=C(N)C=CS1 ALBB-012303 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.46 COC1=C(C(N)=O)C=C(N)C=C1 ALBB-012284 [0,2,0,0,0,0|0,0,0]=2 32 B12R1.46 COC1=CC=C(Br)C=C1C(N)=O ALBB-012019 [0,2,0,0,0,0|0,0,0]=2 33 B12R1.77 COC1=NC=CC=C1C(=N)NO ALBB-016992 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 ALBB-002130 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 ALBB-002130 [0,2,0,0,0,0|1,0,1]=4 36 B12R1.894 CC1=C(Br)C(C(=O)O)=C(N)C=C1 ALBB-033818 [0,2,0,0,0,0|2,0,0]=4 37 B12R2.202 O=C1NC2=C(O)C=CC=C2O1 ALBB-036479 [0,0,0,1,0,1|1,0,0]=3 38 B12R2.1081 NC1=CN=CC2=CC=CC=C12 ALBB-026672 [0,1,0,1,0,0|2,0,0]=4 39 B12R2.203 NC1=NNC2=CC=CC(F)=C21 ALBB-013367 [0,1,0,1,0,0|2,0,0]=4 40 B12R2.612 CC1=NOC2=CC(O)=CC=C21 ALBB-016000 [0,1,0,1,0,0|1,0,1]=4 41 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 ALBB-022596 [0,1,0,1,0,0|1,0,0]=3 42 B12R2.18 NC1NC2=CC=CC=C2C1=O ALBB-032691 [0,1,0,1,0,0|1,0,0]=3 43 B8R1.7 NC(=O)C1=CNN=C1 ALBB-016381 [1,0,0,0,1,0|2,0,0]=4