0 B11R1.35 NC(CC1=CSC=N1)C(=O)O T17629 [0,0,1,0,0,0|2,0,1]=4 1 B11R1.48 CC1=C(C=O)NC(C(=O)O)=C1 F15335 [0,0,1,0,0,0|3,0,0]=4 2 B11R1.90 CC1=C(\C=C\C(=O)O)NC=N1 M14959 [0,0,1,0,0,0|2,0,0]=3 3 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)SN=N2 B8974 [0,0,0,0,0,1|3,0,0]=4 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 B8171 [0,0,0,0,0,1|1,0,0]=2 5 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I2613 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 B7567 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I3246 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 I12302 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 B7615 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 B12356 [0,0,0,0,0,1|1,1,0]=3 11 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 B12356 [0,0,0,0,0,1|1,1,0]=3 12 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 B17275 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 B12357 [0,0,0,0,0,1|1,1,0]=3 14 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 B12357 [0,0,0,0,0,1|1,1,0]=3 15 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 I12303 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B8128 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 I0452 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 B18340 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.31 N#CC1=CNC(C(=O)O)=C1 C14750 [1,0,1,0,0,0|0,0,2]=4 20 B10R1.31 O=CC1=CC=C(C(=O)O)N1 F15336 [1,0,1,0,0,0|0,1,0]=3 21 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O C8173 [0,1,1,0,0,0|1,0,1]=4 22 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 M12359 [0,1,0,0,0,1|1,1,0]=4 23 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 M12359 [0,1,0,0,0,1|1,1,0]=4 24 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 M12358 [0,1,0,0,0,1|1,1,0]=4 25 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 M12358 [0,1,0,0,0,1|1,1,0]=4 26 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2N1 A4529 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.601 O=C(O)C1=CC=C2NC(S)=NC2=C1 M12826 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 M15872 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 I7229 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M19353 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 M11952 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C3244 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H8087 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 B1098 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 M8027 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 M11953 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 C11951 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F11947 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H14876 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 A12787 [0,0,1,0,1,0|1,0,1]=4 45 B10R1.23 O=C(O)C(=O)C1=CC=CS1 T7418 [0,0,1,0,1,0|2,0,0]=4 46 B10R1.64 CC1=C(CC(=O)O)SC=N1 M2421 [0,0,1,0,1,0|1,0,1]=4 47 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 A14657 [0,0,1,0,0,1|1,0,0]=3 48 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q7944 [0,0,0,0,0,2|2,0,0]=4 49 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 N7984 [0,0,0,0,0,2|1,0,1]=4