0 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 020217 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 241858 [0,1,0,0,0,0|2,0,0]=3 2 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 522021 [0,1,0,0,0,0|2,0,0]=3 3 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 047688 [0,0,0,0,0,1|2,0,0]=3 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 066535 [0,0,0,0,0,1|3,0,0]=4 5 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 023377 [0,0,0,0,0,1|2,0,0]=3 6 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 005892 [0,0,0,0,0,1|2,0,0]=3 7 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 066310 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 325184 [0,0,0,0,0,1|1,0,0]=2 9 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 066307 [0,0,0,0,0,1|2,0,0]=3 10 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 066553 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 036613 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 043684 [0,0,0,0,0,1|1,0,0]=2 13 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 018198 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 079065 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 019325 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 015246 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 041905 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 237503 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 033774 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 209339 [0,0,0,0,0,1|1,0,2]=4 21 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 040229 [0,0,0,0,0,1|1,0,2]=4 22 B10R1.66 O=C(O)\C=C\C1=CC=CO1 099099 [1,0,1,0,0,0|1,1,0]=4 23 B10R1.66 O=C(O)\C=C\C1=CC=CS1 018999 [1,0,1,0,0,0|1,0,0]=3 24 B10R1.31 O=CC1=CC=C(C(=O)O)O1 009253 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.31 O=CC1=CC=C(C(=O)O)S1 009254 [1,0,1,0,0,0|2,0,0]=4 26 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 316019 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 027696 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.601 O=C(O)C1=CC=C2N=C(Br)SC2=C1 079892 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 016239 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 016240 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.966 O=C(CBr)C1=CC=C2SC=CC2=C1 103146 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 018818 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 077339 [0,1,0,0,0,1|1,0,0]=3 34 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 023842 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 014581 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 047899 [0,1,0,0,0,1|1,0,0]=3 37 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 077200 [0,1,0,0,0,1|1,0,0]=3 38 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 010193 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 321377 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 066298 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 066291 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 018361 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 042985 [0,1,0,0,0,1|1,0,0]=3 44 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 050233 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 079941 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2S1 010734 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.23 NC(C(=O)O)C1=CSC=C1 447389 [0,0,1,0,1,0|0,0,1]=3 48 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [0,0,1,0,0,1|2,0,0]=4 49 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,0,1,0,0,1|2,0,0]=4 50 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [0,0,1,0,0,1|2,0,0]=4 51 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [0,0,1,0,0,1|2,0,0]=4 52 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [0,0,1,0,0,1|2,0,0]=4 53 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [0,0,1,0,0,1|2,0,0]=4 54 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [0,0,1,0,0,1|2,0,0]=4 55 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [0,0,1,0,0,1|2,0,0]=4 56 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [0,0,1,0,0,1|2,0,0]=4 57 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [0,0,1,0,0,1|2,0,0]=4 58 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [0,0,1,0,0,1|2,0,0]=4 59 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [0,0,1,0,0,1|2,0,0]=4 60 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 013717 [1,0,0,0,0,1|2,0,0]=4 61 B12R2.32 O=CC1=CC2=CC=CC=C2O1 036892 [1,0,0,0,0,1|2,0,0]=4 62 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 016156 [1,0,0,0,0,1|2,0,0]=4 63 B12R2.44 O=CC1=CC=C2C=CNC2=C1 040135 [1,0,0,0,0,1|2,0,0]=4 64 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 223438 [0,0,0,0,0,2|2,0,0]=4 65 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 066331 [0,0,0,0,0,2|1,0,1]=4 66 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 066337 [0,0,0,0,0,2|1,0,1]=4 67 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 036134 [0,0,0,0,0,2|1,0,1]=4 68 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 057738 [0,0,0,0,0,2|2,0,0]=4 69 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 092221 [0,0,0,0,0,2|2,0,0]=4 70 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 023689 [0,0,0,0,0,2|1,0,1]=4 71 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 036133 [0,0,0,0,0,2|1,0,1]=4 72 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 064456 [0,0,0,0,0,2|1,0,1]=4 73 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 016068 [0,0,0,0,0,2|1,0,1]=4 74 B14R2.1008 O=C(O)CC1=CC2=C(C=CN2)C=C1 226020 [0,0,0,0,0,2|2,0,0]=4