0 B10R1.172 C=CC1=NC=CC(OC)=C1 ACI-05094 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.172 COC1=CC=NC(C#N)=C1 ACI-00467 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.172 COC1C=CC=C(C#N)N1 ACI-06425 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 COC1C=CC=C(Br)N1 ACI-06424 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.9 COC1=NC(Cl)=NC(OC)=N1 ACI-00808 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.189 COC1=CC=CC(\C=N\O)=C1 RJC-03I-001 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.266 COC1=CC(C(=N)N)=CC=C1 ACI-NI-00259 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.266 COC1=CC(C(C)O)=NC=C1 ACI-05093 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.266 COC1=CC(C(N)=S)=CC=C1 ACI-NI-00260 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.266 COC1=CC=NC(C(=O)O)=C1 ACI-NI-00709 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 JL-10I-001 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.280 CCC1=[N+]([O-])C=CC(OC)=C1 ACI-05092 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=CC(NN)=C(Cl)C=C1 FD-10E-005 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.14 COC1=C(C=O)SC=C1 ACI-05570 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.14 COC1=CSC=C1C=O ACI-01992 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 ACI-03939 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.30 CC1=CC(NN)=C(Br)C=C1 ACI-04079 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.176 CC1=CC(NN)=CC=C1Cl FD-10E-001 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.382 COC1=CC(OCC#N)=CC=C1 ACI-05118 [0,2,0,0,0,0|0,0,0]=2 29 B12R1.435 COC(=N)C1=CC(C#N)=CC=C1 ACI-00227 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.435 COC1=CC(\C(N)=N\O)=CC=C1 ACI-NI-00258 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 ACI-01699 [0,2,0,0,0,0|1,0,1]=4 32 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 ACI-00137 [0,2,0,0,0,0|1,0,1]=4 33 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 JM-08G-001 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1I ACI-04693 [0,2,0,0,0,0|2,0,0]=4 35 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [0,1,0,1,0,0|1,0,1]=4 36 B12R2.44 NNC1=CC2=C(C=C1)OCO2 ACI-04727 [0,1,0,1,0,0|2,0,0]=4