0 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 25729 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl 27489 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 27448 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 25906 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 26209 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 31005 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 27080 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.24 CC1=CC=C2C=CC=CC2=N1 29988 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.24 NC1=CC2=C(C=C1)C=NC=C2 19167 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 NC1=CC=C2C=CC=CC2=N1 22501 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 19215 [1,0,0,0,0,0|1,0,1]=3 14 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 27915 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 11562 [0,0,1,0,0,0|1,0,2]=4 16 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 23921 [0,0,1,0,0,0|3,0,0]=4 17 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 22059 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 00851 [0,0,0,0,1,0|1,0,1]=3 19 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 20987 [0,0,0,0,1,0|1,0,2]=4 20 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 27093 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [1,0,1,0,0,0|1,0,0]=3 23 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 28730 [1,0,1,0,0,0|2,0,0]=4 24 B11R2.20 C1=NC=C2N=CC=NC2=C1 26144 [2,0,0,0,0,0|1,0,1]=4 25 B13R2.32 NC1=C(Cl)C2=CC=NC=C2C=C1 29460 [1,1,0,0,0,0|2,0,0]=4 26 B13R2.32 NC1=CC=C2C=NC=CC2=C1Br 29346 [1,1,0,0,0,0|2,0,0]=4 27 B13R2.57 BrCC1=CC2=C(C=C1)C=NC=C2 24063 [1,1,0,0,0,0|2,0,0]=4 28 B13R2.57 BrCC1=CC2=CN=CC=C2C=C1 24061 [1,1,0,0,0,0|2,0,0]=4 29 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 20550 [1,1,0,0,0,0|1,0,1]=4 30 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 26275 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.57 O=CC1=CC=C2C=CN=CC2=C1 24072 [1,1,0,0,0,0|1,0,1]=4 32 B13R2.57 O=CC1=CC=C2C=NC=CC2=C1 24071 [1,1,0,0,0,0|1,0,0]=3 33 B13R2.155 NC1=CC2=CC(Br)=CC=C2C=N1 26363 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 21876 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 26369 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 24473 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 27086 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 21268 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 02283 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=N1 19176 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.5179 ClC1=CC2=CC=NC(Cl)=C2C=C1 18451 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 31514 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 17681 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 26965 [0,1,0,0,1,0|1,0,1]=4 45 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O 21944 [0,1,0,0,1,0|1,0,1]=4 46 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O 21872 [0,1,0,0,1,0|1,0,1]=4 47 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O 02322 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O 21554 [0,1,0,0,1,0|1,0,1]=4 49 B15R2.21243 CN1C(=O)C(C=O)=CC2=CC=CC=C21 26547 [0,2,0,0,0,0|1,0,1]=4 50 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 30353 [0,0,1,1,0,0|2,0,0]=4 51 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 17125 [0,0,1,1,0,0|2,0,0]=4 52 B11R2.1 BrC1=CNC2=C1C=CN=C2 18876 [1,0,0,0,1,0|2,0,0]=4 53 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [1,0,0,0,1,0|2,0,0]=4 54 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 18695 [1,0,0,0,1,0|2,0,0]=4 55 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [1,0,0,0,1,0|1,0,1]=4 57 B11R2.10 O=C1NC2=C(C=CC=C2)N1 32064 [1,0,0,0,1,0|2,0,0]=4 58 B11R2.36 OC1=CC2=C(C=C1)C=NN2 27473 [1,0,0,0,1,0|2,0,0]=4 59 B11R2.36 OC1=CC2=C(C=C1)NC=C2 21844 [1,0,0,0,1,0|2,0,0]=4 60 B11R2.36 OC1=CC2=C(C=CN2)C=C1 21936 [1,0,0,0,1,0|1,0,1]=4