0 B13R2.57 C#CC1=CC=C2N=CC=NC2=C1 CC11747 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CC04463 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 CC04504 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 CC04404 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.57 OCC1=CC2=CC=CN=C2C=C1 CC04509 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 NP42946 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CC11710 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 NC1=CC2=CC=CC=C2C=N1 BTB10019 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 NC1=CC2=NC=CN=C2C=C1 CC11714 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.112 CNCC1=CC2=CC=CN=C2C=C1 CC04546 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 CC04501 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 CC11701 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.2332 CC1=CC=C2C=C(C=O)C=CC2=N1 CC28404 [0,1,0,0,0,0|2,0,0]=3 13 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=N1 CC28409 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 CC05604 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.32 OCC1=CC2=C(N=CC=C2)S1 CC05609 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.44 ClCC1=CC2=C(C=C1)N=CS2 NP44135 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 CC07116 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.44 N#CC1=CC2=C(C=C1)SC=C2 CC24816 [0,0,0,0,1,0|3,0,0]=4 19 B12R2.44 N#CC1=CN2C=CN=C2C=C1 CC33116 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 NP43115 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CC07104 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 CC24804 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.44 O=CC1=CN2C=CN=C2C=C1 CC33104 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 CC07109 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.44 OCC1=CN2C=CN=C2C=C1 CC33109 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.83 COC1=CC=C(N=C=S)C=C1 TL00326 [1,0,1,0,0,0|1,0,1]=4 27 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 RJC01118 [1,1,0,0,0,0|2,0,0]=4 28 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=C1 NRB00907 [1,1,0,0,0,0|2,0,0]=4 29 B13R2.449 CNCC1=CN2C=CN=C2C=C1 CC33146 [0,1,0,0,1,0|2,0,0]=4 30 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=N2 RDP00059 [0,2,0,0,0,0|1,0,0]=3 31 B15R2.1601 NNC(=O)C1=CC2=CC=CN=C2C=C1 KM10250 [0,2,0,0,0,0|2,0,0]=4 32 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 CC28401 [0,2,0,0,0,0|2,0,0]=4 33 B15R2.7180 CC1=CC=C2C=C([N+](=O)[O-])C=CC2=N1 BTB06234 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.25 COC(=O)\C=C\C1=CC=CS1 KM05235 [0,0,1,0,1,0|2,0,0]=4 35 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,0,1,0,1,0|2,0,0]=4 36 B11R2.10 OC1=NC2=C(C=CC=N2)O1 SPB06586 [1,0,0,0,1,0|2,0,0]=4 37 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CC05910 [1,0,0,0,1,0|2,0,0]=4 38 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [1,0,0,0,1,0|2,0,0]=4 39 B11R2.36 NC1=CC2=C(C=C1)N=CS2 CC05914 [1,0,0,0,1,0|2,0,0]=4 40 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [1,0,0,0,1,0|2,0,0]=4 41 B11R2.36 NC1=CC2=C(C=C1)SC=C2 CC24814 [1,0,0,0,1,0|2,0,0]=4