0 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 MC442193 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MC442194 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 CS14567 [0,1,0,0,0,0|1,0,0]=2 3 B13R2.400 O=C(O)C1=CN2N=C(Br)SC2=N1 MC113254 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 MC10780 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.2334 CC1=C(C(=O)O)SC2=NC=CN21 MC113253 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.2334 O=C(O)C1=C(Cl)C2=C(C=CO2)S1 MC110621 [0,1,0,0,0,0|2,1,0]=4 7 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 CS22142 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS20416 [0,0,1,0,0,0|1,0,2]=4 9 B11R1.35 NC(Cc1cccs1)C(=O)O MC438193 [0,0,1,0,0,0|1,0,2]=4 10 B11R1.35 NC(Cc1cccs1)C(=O)O MC438194 [0,0,1,0,0,0|1,0,2]=4 11 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 MC427236 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 CS16602 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 CS16894 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 MC31130 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 CS18134 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 CS13765 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 CS20140 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CS21477 [0,0,0,0,0,1|2,1,0]=4 19 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 MC441149 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 CS10225 [0,0,0,0,0,1|1,0,0]=2 21 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 CS15936 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 MC441167 [0,0,0,0,0,1|2,1,0]=4 23 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 MC441150 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.430 O=C(O)C1=CC2=C(C=N1)N=CS2 MC106341 [0,0,0,0,0,1|0,0,1]=2 25 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 MC101990 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 MC443245 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 O=C(O)C1=CC2=NNN=C2C=C1 CS18133 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 CS22275 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 MC444446 [0,0,0,0,0,1|1,0,2]=4 30 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CS22274 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 CS18462 [0,0,0,0,0,1|1,0,2]=4 32 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 CS14581 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=N1 MC444460 [0,0,0,0,0,1|1,0,2]=4 34 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 CS16880 [0,0,0,0,0,1|1,0,2]=4 35 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 CS14661 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.430 O=C(O)C1CC2=C(CN1)N=CN2 MC438184 [0,0,0,0,0,1|1,0,2]=4 37 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)N=CS2 CS10499 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=N2 MC41803 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 MC105516 [0,0,0,0,0,1|1,0,0]=2 45 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,0,0,0,0,1|2,0,0]=3 46 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,0,0,0,0,1|1,0,0]=2 47 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,0,0,0,0,1|2,0,0]=3 48 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,0,0,0,0,1|1,0,0]=2 49 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,0,0,0,0,1|2,0,0]=3 52 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 MC441335 [0,0,0,0,0,1|2,0,0]=3 54 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 MC443785 [0,0,0,0,0,1|2,0,1]=4 55 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 MC100039 [0,0,0,0,0,1|2,0,1]=4 56 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,0,0,0,0,1|3,0,0]=4 57 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 MC104992 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [1,0,1,0,0,0|1,1,0]=4 59 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [1,0,1,0,0,0|1,1,0]=4 61 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [1,0,1,0,0,0|1,1,0]=4 62 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 CS21686 [0,1,0,0,0,1|1,1,0]=4 63 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 CS15881 [0,1,0,0,0,1|1,1,0]=4 64 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 CS13702 [0,1,0,0,0,1|1,0,0]=3 65 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 CS21299 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.601 NC1=NC2=C(C=CC(C(=O)O)=C2)N1 MC33423 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Br)S2 CS21381 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Cl)S2 CS21422 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O)S2 MC10125 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 CS11587 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 CS16165 [0,1,0,0,0,1|1,0,1]=4 72 B14R2.24358 CN1C=NC2=C1C=C(C(=O)O)C=C2 CS20703 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 MC104527 [0,1,0,0,0,1|1,0,0]=3 75 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS13203 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.972 COC(=O)C1=CC2=NC=CN=C2S1 CS18450 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 MC104472 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 MC441321 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 MC104471 [0,1,0,0,0,1|1,0,0]=3 83 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS12323 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 MC444391 [0,1,0,0,0,1|1,0,0]=3 85 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 MC441323 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 CS15209 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 MC103942 [0,1,0,0,0,1|1,0,0]=3 90 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)N=C2N1 MC444420 [0,1,0,0,0,1|1,0,0]=3 92 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 MC121106 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 MC104549 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 MC102085 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 MC102042 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 MC441176 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Br)N1 MC105989 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 MC444341 [0,1,0,0,0,1|1,0,0]=3 101 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 MC441177 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 CS12322 [0,1,0,0,0,1|1,0,0]=3 104 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 MC441337 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.7969 O=C(O)C1=CC2=C(N=NC=C2O)N1 MC116436 [0,1,0,0,0,1|1,0,0]=3 106 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 MC100191 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 MC441328 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 CS14488 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,0,1,0,1,0|1,0,1]=4 113 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,0,0,0,0,1|2,0,0]=4 114 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [1,0,0,0,0,1|1,0,0]=3 115 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [1,0,0,0,0,1|2,0,0]=4 116 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 CS15841 [1,0,0,0,0,1|1,1,0]=4 117 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 MC427239 [1,0,0,0,0,1|1,0,0]=3 118 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 CS16843 [1,0,0,0,0,1|1,1,0]=4 119 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 MC115936 [1,0,0,0,0,1|1,0,0]=3 120 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 MC441269 [1,0,0,0,0,1|2,0,0]=4 121 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 MC427238 [1,0,0,0,0,1|1,0,1]=4 122 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [0,0,0,0,0,2|2,0,0]=4 123 B14R2.781 O=C(O)C1=CC=C2C=NC=NC2=C1 MC102441 [0,0,0,0,0,2|2,0,0]=4 124 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS11933 [0,0,0,0,0,2|2,0,0]=4 125 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 MC425062 [0,0,0,0,0,2|2,0,0]=4 126 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 MC442821 [0,0,0,0,0,2|1,0,1]=4 127 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,0,0,0,0,2|2,0,0]=4