0 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,1,0,0,0,0|2,1,0]=4 6 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,1,0,0,0,0|2,1,0]=4 7 B10R1.20 COC1=C(CCl)C=CN=N1 F30442 [0,1,0,0,0,0|2,1,0]=4 8 B10R1.20 COC1=NC=NC=C1CO F30437 [0,1,0,0,0,0|2,1,0]=4 9 B10R1.20 COC1=NN=CC=C1CO F30441 [0,1,0,0,0,0|2,1,0]=4 10 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.25 CC1=CN=C(C#N)C(Cl)=N1 D70692 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.25 NCC1=NC=C(Cl)N=C1Cl D72151 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,1,0,0,0,0|2,1,0]=4 14 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,1,0,0,0,0|2,1,0]=4 15 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,1,0,0,0,0|2,1,0]=4 16 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.30 CSC1=CC(F)=CN=C1Br D79793 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.30 N#CC1=C(Cl)N=CC(Br)=N1 91415 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl N13177 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,1,0,0,0,0|1,1,0]=3 25 B8R1.11 CC1=NOC=C1CN Y14820 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.11 CCN1N=CC=C1O AT26527 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.1 C#CC1=CN=C(N)C=N1 78951 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.2 N#CC1=CN=CC(F)=N1 AT18572 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.3 CC1=NC=CC(N)=C1F C73011 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 C14197 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.69 CC1=NC(Cl)=CNC1=O F11838 [1,1,0,0,0,0|0,1,1]=4 37 B9R1.69 NC1=C(Br)N=C(I)C=N1 D76508 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.278 COC1=NC=C(C)C(N)=C1C P19442 [0,2,0,0,0,0|1,1,0]=4 40 B11R1.37 COC1=NC=C(Cl)C=C1CN 79399 [0,2,0,0,0,0|1,1,0]=4 41 B11R1.37 CSC1=CC(C)=CN=C1CCl 79441 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,2,0,0,0,0|2,0,0]=4 43 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [0,1,0,1,0,0|2,0,0]=4 44 B11R2.10 CC1=CC2=NC=CN=C2N1 P19354 [0,1,0,1,0,0|1,0,1]=4 45 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,1,0,1,0,0|2,0,0]=4 46 B11R2.55 NC1=NC=CN=C1C2CC2 60029 [0,1,0,1,0,0|2,0,0]=4 47 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,1,0,1,0,0|1,1,0]=4 48 B11R2.36 BrC1=CN=C2CCNC2=C1 P19003 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.36 BrC1=NC2=C(N=CS2)N=C1 D74766 [0,1,0,1,0,0|1,0,1]=4 50 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [0,1,0,1,0,0|1,1,0]=4 51 B7R1.4 CC1=NNN=C1Br H10262 [1,0,0,0,1,0|2,0,0]=4