0 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,0,0,0,0,0|0,0,2]=3 1 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 SPC-n227 [0,0,0,1,0,0|3,0,0]=4 3 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,0,0,1,0,0|2,0,1]=4 4 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 SPC-p599 [0,0,0,1,0,0|1,1,1]=4 5 B11R1.40 COC(=O)CC1=CN=NC=C1 SPC-j127 [0,0,0,0,1,0|2,0,1]=4 6 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,0,0,0,1,0|1,0,1]=3 7 B11R1.40 COC(=O)CC1=NC=NC=C1 SPC-v636 [0,0,0,0,1,0|2,0,1]=4 8 B12R1.43 O=[N+]([O-])\C(F)=C\C1=CC=CC=C1 SPC-d107 [1,1,0,0,0,0|1,0,1]=4 9 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [0,1,0,0,1,0|0,0,1]=3 10 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 SPC-v078 [0,1,0,0,1,0|1,0,1]=4 11 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 SPC-k031 [0,1,0,0,1,0|1,0,1]=4 12 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 SPC-m690 [0,1,0,0,1,0|1,0,1]=4 13 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 SPC-q093 [0,1,0,0,1,0|1,0,1]=4 14 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SPC-g544 [0,2,0,0,0,0|1,0,1]=4 15 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SPC-t418 [0,0,1,1,0,0|1,0,1]=4 16 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [1,0,0,1,0,0|0,0,2]=4 17 B12R2.24 CC1=NC2=CC=CN=C2C=C1 SPC-j552 [1,0,0,1,0,0|2,0,0]=4 18 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [1,0,0,1,0,0|1,0,1]=4 19 B12R2.24 O=C1C=CC2=CC=CN=C2N1 SPC-u549 [1,0,0,1,0,0|2,0,0]=4 20 B12R2.44 COC1=CC2=C(C=CN2)C=C1 SPC-p812 [0,0,0,1,1,0|2,0,0]=4 21 B12R2.44 COC1=NC2=C(C=CN2)C=C1 SPC-m534 [0,0,0,1,1,0|2,0,0]=4 22 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 SPC-q932 [0,0,0,1,0,1|0,0,2]=4 23 B14R2.95 COC(=O)C1=C2C=CC=CC2=NN1 SPC-g618 [0,0,0,1,0,1|1,0,0]=3 24 B14R2.95 COC(=O)C1=C2C=CC=CN2C=N1 SPC-t400 [0,0,0,1,0,1|1,0,0]=3 25 B14R2.95 COC(=O)C1=C2C=NC=CC2=NN1 SPC-r158 [0,0,0,1,0,1|2,0,0]=4 26 B14R2.95 COC(=O)C1=CN=C2C=NC=CN12 SPC-q966 [0,0,0,1,0,1|2,0,0]=4 27 B14R2.95 COC(=O)C1=CNC2=C1C=CC=N2 SPC-g833 [0,0,0,1,0,1|1,0,0]=3 28 B14R2.95 COC(=O)C1=NNC2=C1C=CC=N2 SPC-h718 [0,0,0,1,0,1|2,0,0]=4 29 B14R2.95 COC(=O)C1=NNC2=C1C=CN=C2 SPC-r148 [0,0,0,1,0,1|2,0,0]=4 30 B14R2.95 COC(=O)C1=NNC2=CC=CN=C21 SPC-k766 [0,0,0,1,0,1|2,0,0]=4 31 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=N1 SPC-p877 [0,1,0,1,0,0|2,0,0]=4 32 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 SPC-q630 [0,1,0,1,0,0|1,0,0]=3 33 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 SPC-u537 [0,1,0,1,0,0|1,0,0]=3 34 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 SPC-j123 [0,1,0,1,0,0|1,0,0]=3 35 B14R2.781 C[C@@H](N)C1=CC2=CC=CC=C2C=C1 SPC-k270 [0,1,0,1,0,0|2,0,0]=4 36 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 SPC-k296 [0,1,0,1,0,0|2,0,0]=4 37 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [1,0,0,0,1,0|1,0,0]=3 38 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [0,0,0,0,2,0|2,0,0]=4 39 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [0,0,0,0,2,0|2,0,0]=4 40 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [0,0,0,0,2,0|2,0,0]=4 41 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [0,0,0,0,2,0|2,0,0]=4 42 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 SPC-t206 [0,0,0,0,0,2|0,0,2]=4