0 B10R1.61 CC(=O)C1=C(N)CCCC1 ALBB-028904 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 CN(C)C1=C(N)C=NC=C1 ALBB-010447 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 CSC1=NC=CC=C1N ALBB-025504 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.53 CN(C)C1=NC=CC=C1CN ALBB-031318 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.166 CC(=O)C1=CNC(=O)N=C1C ALBB-013380 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.166 CC(=O)C1=CNC(=O)N=C1C ALBB-013380 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.166 CN(C)C1=CC=C(Br)C=C1N ALBB-005875 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 ALBB-017210 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 ALBB-013779 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.222 COC(=N)C1=CC=CNC1=O ALBB-010781 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,1,0,0,0,0|3,0,0]=4 22 B11R2.1 BrC1=NNC2=NC=CC=C12 ALBB-022845 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.1 NC1=NNC2=NC=CC=C12 ALBB-004826 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.41 CC(=O)C1=C(C)N=CS1 ALBB-022346 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.41 CC(=O)C1=C(C)NN=C1 ALBB-018077 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.41 CC(=O)C1=CC=NN1C ALBB-003695 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.41 CC(=O)C1=NC=CN1C ALBB-011813 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.41 NC(=O)C1=C(N)C=NN1 ALBB-013991 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 NC1=C(C(=O)O)NN=C1 ALBB-014000 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 NC1=CSN=C1C(=O)O ALBB-008116 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.113 CC(N)C1=CC=CC(O)=C1 ALBB-019157 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.2 CN1C=CC=C(C=O)C1=O ALBB-026635 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.20 CNC1=NC=CC=C1CN ALBB-032496 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.25 CNC1=C(C)C=C(C)C=C1 ALBB-020240 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 ALBB-017970 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.149 CNC(=O)C1=C(N)C=CS1 ALBB-012303 [0,1,0,0,1,0|1,0,0]=3 40 B12R1.371 O=C(CCl)NC1=CC=CN=C1Cl ALBB-002326 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.46 COC1=C(C(N)=O)C=C(N)C=C1 ALBB-012284 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.46 COC1=CC=C(Br)C=C1C(N)=O ALBB-012019 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O ALBB-013445 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.894 CC1=C(Br)C(C(=O)O)=C(N)C=C1 ALBB-033818 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.440 CNC1=NC=CC(C(=O)O)=C1N ALBB-033085 [0,2,0,0,0,0|2,0,0]=4 46 B12R2.202 CC1=NN2C=CC=C(N)C2=N1 ALBB-024704 [0,0,0,1,0,1|2,0,0]=4 47 B12R2.202 O=C1NC2=C(O)C=CC=C2O1 ALBB-036479 [0,0,0,1,0,1|2,0,0]=4 48 B12R2.203 NC1=NNC2=CC=CC(F)=C21 ALBB-013367 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.612 CC1=CC=C2C(=C1)NN=C2I ALBB-022769 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.612 CC1=NOC2=CC(O)=CC=C21 ALBB-016000 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 ALBB-022596 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.1 OCC1=NNC2=C1C=CC=C2 ALBB-024433 [0,1,0,1,0,0|1,0,0]=3 53 B12R2.18 NC1NC2=CC=CC=C2C1=O ALBB-032691 [0,1,0,1,0,0|0,0,0]=2 54 B8R1.7 CC(=O)C1=NC=CN1 ALBB-021708 [1,0,0,0,1,0|2,0,0]=4