0 B8R1.2 NCC1=CN=NC=C1 ALBB-026737 [1,0,0,0,0,0|1,0,1]=3 1 B10R1.13 NC1=NC=C([N+](=O)[O-])C=N1 ALBB-019234 [0,1,0,0,0,0|3,0,0]=4 2 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 ALBB-019235 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.7 NC(=O)C1=CC=CS1 ALBB-019885 [0,0,0,0,1,0|1,0,0]=2 4 B10R1.18 CC(N)CC1=CC=CN=C1 ALBB-010767 [0,0,0,0,0,1|1,0,1]=3 5 B10R1.18 CC(N)CC1=CC=CN=C1 ALBB-010767 [0,0,0,0,0,1|1,0,1]=3 6 B10R1.18 N=C(N)CC1=NC=CC=C1 ALBB-004970 [0,0,0,0,0,1|3,0,0]=4 7 B10R1.18 N=C(N)NC1=CC=CC=C1 ALBB-019781 [0,0,0,0,0,1|2,0,0]=3 8 B10R1.18 N=C(N)NC1=CC=CC=C1 ALBB-019781 [0,0,0,0,0,1|2,0,0]=3 9 B9R1.2 NNC1=CC=CC(Br)=C1 ALBB-020968 [1,1,0,0,0,0|2,0,0]=4 10 B9R1.8 ON=CC1=CC=CN=C1 ALBB-019926 [1,1,0,0,0,0|0,0,1]=3 11 B9R1.15 CNC1=CC=CN=C1N ALBB-016464 [1,1,0,0,0,0|2,0,0]=4 12 B9R1.11 CNC(=O)C1=CC=CN1 ALBB-034604 [0,1,0,0,1,0|0,0,1]=3 13 B9R1.11 NNC(=O)C1=CNN=C1 ALBB-016365 [0,1,0,0,1,0|1,0,0]=3 14 B9R1.11 NNC(=O)C1=CSC=C1 ALBB-020982 [0,1,0,0,1,0|1,0,0]=3 15 B9R1.35 CC(=O)C1=CSC(N)=N1 ALBB-023268 [0,1,0,0,1,0|2,0,0]=4 16 B9R1.35 NC(=O)C1=CC(Br)=CS1 ALBB-012020 [0,1,0,0,1,0|1,0,0]=3 17 B9R1.35 NC(=O)C1=NC(Cl)=NN1 ALBB-014174 [0,1,0,0,1,0|2,0,0]=4 18 B9R1.35 NC1=NC=C(C(=O)O)S1 ALBB-022659 [0,1,0,0,1,0|2,0,0]=4 19 B9R1.35 O=C(Cl)C1=CC=C(Br)S1 ALBB-011189 [0,1,0,0,1,0|2,0,0]=4 20 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 ALBB-019786 [0,1,0,0,0,1|2,0,0]=4 21 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 ALBB-012017 [0,1,0,0,0,1|2,0,0]=4 22 B11R1.157 CC1=CC(NC(=N)N)=CC=C1 ALBB-019779 [0,1,0,0,0,1|2,0,0]=4 23 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 ALBB-019788 [0,1,0,0,0,1|2,0,0]=4 24 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ALBB-006991 [0,2,0,0,0,0|2,0,0]=4 25 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 ALBB-012285 [0,2,0,0,0,0|1,0,0]=3 26 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 ALBB-005887 [0,2,0,0,0,0|1,0,0]=3 27 B11R1.3 O=CC1=CC=C(C(=O)Cl)C=C1 ALBB-033067 [0,2,0,0,0,0|2,0,0]=4 28 B11R1.21 CC(=O)C1=CC=C(O)C(Cl)=C1 ALBB-019348 [0,2,0,0,0,0|2,0,0]=4 29 B11R1.21 NC(=O)C1=CC(Br)=C(N)N=C1 ALBB-019920 [0,2,0,0,0,0|0,0,0]=2 30 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 ALBB-014057 [0,2,0,0,0,0|1,0,0]=3 31 B11R1.166 CC1=NC(O)=CC=C1C(=O)O ALBB-032771 [0,2,0,0,0,0|1,0,0]=3 32 B11R1.166 NC1=C(C(=O)O)C=NC(S)=N1 ALBB-017399 [0,2,0,0,0,0|2,0,0]=4 33 B11R1.166 OC(=O)C1=C(O)N=C(C)C=C1 ALBB-021331 [0,2,0,0,0,0|1,0,0]=3 34 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 ALBB-013378 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.53 CSC1=C(C(=O)Cl)C=CC=N1 ALBB-021224 [0,2,0,0,0,0|1,0,0]=3 36 B11R1.53 CSC1=C(C(=O)O)C=CC=N1 ALBB-021279 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.53 CSC1=NC=CC=C1[N+](=O)[O-] ALBB-024723 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.167 CC(=O)C1=CC(O)=CC=C1O ALBB-019961 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O ALBB-019922 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 ALBB-020012 [0,2,0,0,0,0|2,0,0]=4 41 B7R1.1 O=CC1=CSC=N1 ALBB-004689 [1,0,0,0,1,0|1,0,0]=3 42 B11R1.91 N=C(N)OCC1=CC=CC=C1 ALBB-024917 [0,0,0,0,0,2|2,0,0]=4