0 B11R1.48 CC1=C(C=O)NC(C(=O)O)=C1 F15335 [0,0,1,0,0,0|2,0,0]=3 1 B11R1.90 CC1=C(\C=C\C(=O)O)NC=N1 M14959 [0,0,1,0,0,0|3,0,0]=4 2 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 A19405 [0,0,0,0,0,1|3,0,0]=4 3 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=C2 N19407 [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|2,1,0]=4 5 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I2613 [0,0,0,0,0,1|2,0,0]=3 6 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 D7624 [0,0,0,0,0,1|1,0,2]=4 7 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 P5052 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I3246 [0,0,0,0,0,1|2,0,0]=3 9 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 I12302 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 I12361 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 B12356 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 B12356 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 B17275 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 I12351 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 B12357 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 B12357 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 I12303 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 OB(O)C1=CC2=C(C=C1)OC=C2 B7516 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A17997 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 A7495 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.435 N=C(N)C1=CC2=CC=CC=C2N1 I16876 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 B8234 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B8128 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 I0452 [0,0,0,0,0,1|1,0,0]=2 25 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 I15232 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 B18340 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 B16708 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 I7021 [0,0,0,0,0,1|1,0,2]=4 29 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 I4785 [0,0,0,0,0,1|1,0,2]=4 30 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 I7230 [0,0,0,0,0,1|1,0,2]=4 31 B10R1.66 O=C(O)\C=C\C1=NC=CN1 I14893 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.31 N#CC1=CNC(C(=O)O)=C1 C14750 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.31 O=CC1=CC=C(C(=O)O)N1 F15336 [1,0,1,0,0,0|0,0,1]=3 34 B12R1.120 NC(C(=O)O)C(O)C1=CC=CO1 A15439 [0,1,1,0,0,0|0,0,2]=4 35 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O C8173 [0,1,1,0,0,0|0,1,1]=4 36 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 M12359 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 M12359 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 M12358 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 M12358 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 M8022 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 M8023 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 B1101 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 M15872 [0,1,0,0,0,1|1,0,0]=3 44 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 M14783 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 C9577 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 I7229 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M19353 [0,1,0,0,0,1|1,0,0]=3 48 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 M11952 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=N2 A15310 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,0,0,1|1,0,0]=3 51 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [0,1,0,0,0,1|1,0,0]=3 52 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C3244 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C8872 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H8087 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 B1098 [0,1,0,0,0,1|1,0,0]=3 58 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 C16715 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 M8027 [0,1,0,0,0,1|1,0,0]=3 60 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 M11953 [0,1,0,0,0,1|1,0,0]=3 61 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 F8850 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 C11951 [0,1,0,0,0,1|1,0,0]=3 63 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F11947 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H14876 [0,1,0,0,0,1|1,0,0]=3 65 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 A12787 [0,0,1,0,1,0|0,1,1]=4 66 B10R1.23 O=C(O)C(=O)C1=CC=CS1 T7418 [0,0,1,0,1,0|1,1,0]=4 67 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [0,0,1,0,0,1|2,0,0]=4 68 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 M7536 [0,0,1,0,0,1|2,0,0]=4 69 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 A14657 [0,0,1,0,0,1|1,0,0]=3 70 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H7620 [0,0,1,0,0,1|2,0,0]=4 71 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl C1634 [0,0,1,0,0,1|2,0,0]=4 72 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F F2690 [0,0,1,0,0,1|2,0,0]=4 73 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 C8303 [0,0,1,0,0,1|2,0,0]=4 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 B3797 [0,0,1,0,0,1|2,0,0]=4 75 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 F0985 [0,0,1,0,0,1|2,0,0]=4 76 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [0,0,1,0,0,1|2,0,0]=4 77 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 A15475 [0,0,1,0,0,1|2,0,0]=4 78 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 I0657 [1,0,0,0,0,1|2,0,0]=4 79 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 I11336 [1,0,0,0,0,1|2,0,0]=4 80 B12R2.44 O=CC1=CC=C2NC=CC2=C1 I3243 [1,0,0,0,0,1|2,0,0]=4 81 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 N0909 [0,0,0,0,0,2|2,0,0]=4 82 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q7944 [0,0,0,0,0,2|2,0,0]=4 83 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 N7984 [0,0,0,0,0,2|1,0,1]=4 84 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=N1 N7985 [0,0,0,0,0,2|1,0,1]=4 85 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [0,0,0,0,0,2|1,0,1]=4 86 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [0,0,0,0,0,2|1,0,1]=4 87 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 Q4977 [0,0,0,0,0,2|1,0,1]=4