0 B10R1.172 COC1=CC(C=O)=CN=C1 SPC-g844 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.172 COC1=CN=CC(CN)=C1 SPC-n799 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.172 COC1=NC(C#N)=NC=C1 SPC-k836 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.172 COC1=NC(CN)=CC=N1 SPC-r247 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.172 COC1=NC(CN)=NC=C1 SPC-k559 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.172 COC1=NC(CO)=CC=N1 SPC-k902 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.172 COC1=NC=CC(C=O)=C1 SPC-h062 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.172 COC1=NC=CC(CCl)=C1 SPC-s960 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.172 COC1=NC=CC(CN)=C1 SPC-j640 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.2 CC1=CC(CCl)=CN=C1 SPC-s888 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 CC1=CC(CO)=CN=C1 SPC-j744 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 CC1=CC=CC(C#N)=N1 SPC-s864 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 CCC1=CC(Br)=NC=C1 SPC-v193 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 CCC1=NC=CC(N)=C1 SPC-p223 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 COC1=CC(Cl)=NN=C1 SPC-m014 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 COC1=CN=CC(N)=C1 SPC-r210 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 COC1=NC(N)=CC=N1 SPC-j039 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 COC1=NC=CC(Br)=N1 SPC-u474 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 COC1=NC=CC(Cl)=N1 SPC-k434 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 COC1=NC=CC(N)=C1 SPC-g039 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 SPC-r231 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.9 COC1=CC(C)=CC(C=O)=C1 SPC-t883 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.189 COC1=CC(CNN)=CC=C1 SPC-n836 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.280 COC1=CC(C=O)=CN=C1F SPC-u826 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.280 COC1=CN=C(Cl)C(C#N)=C1 SPC-m277 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.280 COC1=NC(OC)=C(Br)C=N1 SPC-s362 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.14 COC1=C(C=O)C=CS1 SPC-n025 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.4 CC1=CC(Br)=CN=C1 SPC-g551 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.4 CC1=CC(C)=NC=N1 SPC-n162 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 CC1=CC(Cl)=NC=C1 SPC-g113 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.4 CC1=CC(O)=CN=C1 SPC-t060 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.4 CC1=CC=CC(Cl)=N1 SPC-s860 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.4 CC1=NC=CC(Br)=C1 SPC-n114 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.4 CC1=NC=CC(N)=C1 SPC-m998 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.4 CC1=NC=CC(O)=C1 SPC-r417 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.4 OC1=CC(Br)=CN=C1 SPC-t046 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.4 OC1=CC(Cl)=NC=C1 SPC-s856 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.2 COC1=C(Br)C(N)=CC=N1 SPC-k829 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.2 COC1=C(Cl)C(N)=CC=C1 SPC-p195 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.2 COC1=C(I)C(N)=CC=N1 SPC-p390 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.2 COC1=CC=CC(Br)=C1O SPC-k449 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.176 COC1=CC(Br)=C(C)N=C1 SPC-j935 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.176 COC1=CC(F)=C(Br)C=N1 SPC-t441 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.176 COC1=CC(I)=C(N)C=C1 SPC-r017 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.176 COC1=CC(N)=C(Br)C=N1 SPC-n191 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.58 COC1=CC(OC)=NC(C#N)=N1 SPC-p464 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 SPC-p575 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SPC-t418 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.440 COC1=CC=CC(C(=O)O)=C1N SPC-j946 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.453 COC1=CC(B(O)O)=C(F)C=C1 SPC-k213 [0,2,0,0,0,0|2,0,0]=4 51 B12R2.44 COC1=CC2=C(C=C1)NN=C2 SPC-j448 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.44 COC1=CC2=C(C=CN2)C=C1 SPC-p812 [0,1,0,1,0,0|1,0,1]=4 53 B12R2.44 COC1=NC=C2NCCC2=C1 SPC-u822 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.3 C#CC1=CN=C(OC)C=C1 SPC-k103 [0,0,0,0,1,1|1,0,1]=4 55 B10R1.3 COC1=CN=C(C#N)C=C1 SPC-k938 [0,0,0,0,1,1|2,0,0]=4 56 B10R1.3 COC1=CN=C(CCl)C=C1 SPC-m285 [0,0,0,0,1,1|2,0,0]=4 57 B10R1.3 COC1=CN=C(CO)C=C1 SPC-n798 [0,0,0,0,1,1|2,0,0]=4 58 B10R1.3 COC1=NC=C(C=O)C=C1 SPC-n262 [0,0,0,0,1,1|2,0,0]=4 59 B10R1.3 COC1=NC=C(CN)C=C1 SPC-j639 [0,0,0,0,1,1|2,0,0]=4 60 B10R1.3 COC1=NC=C(CO)C=C1 SPC-j652 [0,0,0,0,1,1|2,0,0]=4