0 B10R1.64 CC1=C(CC(=O)O)SC=N1 AC-13449 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.64 CN1C=CC=C1CC(=O)O AC-14696 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.33 C(=O)CC1=C(C)N=CS1 AC-13448 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.228 COC(=O)CC1=CC=CN1C AC-8145 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.41 CC(=O)C1=CC=CN1C AC-7331 [0,0,0,0,1,0|2,0,0]=3 5 B9R1.41 CC1=C(C(=O)O)C=CS1 AC-23892 [0,0,0,0,1,0|1,1,0]=3 6 B9R1.41 CC1=C(C(=O)O)C=NO1 AC-8361 [0,0,0,0,1,0|2,0,0]=3 7 B9R1.41 CC1=C(C(=O)O)N=CN1 AC-28875 [0,0,0,0,1,0|3,0,0]=4 8 B9R1.41 CC1=C(C(=O)O)OC=C1 AC-26702 [0,0,0,0,1,0|3,0,0]=4 9 B9R1.41 CC1=C(C(=O)O)OC=N1 AC-27136 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.41 CC1=C(C(=O)O)SC=C1 AC-2519 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.41 CC1=C(C(=O)O)SC=N1 AC-7355 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.41 CC1=CSC=C1C(=O)O AC-27190 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.41 CN1N=CC=C1C(=O)O AC-7334 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.41 O=C(O)C1=C(Br)OC=C1 AC-25744 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.41 O=C(O)C1=C(Br)SC=C1 AC-33268 [0,0,0,0,1,0|2,1,0]=4 16 B9R1.41 O=C(O)C1=C(Cl)SC=C1 AC-33307 [0,0,0,0,1,0|2,1,0]=4 17 B11R1.86 CC(=O)CC1=CC=CC=C1Br AC-5629 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 AC-28505 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 AC-13288 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-2856 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 AC-20555 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 AC-10864 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 AC-11692 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 AC-8695 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 AC-15014 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.157 CC(=O)OC1=CC(I)=CC=C1 AC-17671 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 AC-17035 [0,0,0,0,0,1|3,0,0]=4 28 B8R1.11 CC1=C(C=O)NC=N1 AC-33913 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.11 CC1=C(C=O)SC=N1 AC-5584 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.11 CC1=NNC=C1C=O AC-27341 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.11 CN1N=CC=C1C=O AC-27342 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AC-27309 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 AC-8442 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 AC-6966 [0,1,0,0,1,0|1,1,0]=4 35 B10R1.192 CC(=O)C1=C(C)NC=C1C AC-6172 [0,1,0,0,1,0|1,0,0]=3 36 B10R1.192 CC1=CNC(C)=C1C(=O)O AC-30618 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 AC-5624 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.127 CC(=O)NC1=C(C)C=CC(Cl)=C1 AC-11163 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 AC-26479 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 AC-16442 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.61 CC(=O)C1=C(C)C=CC=C1 AC-15885 [0,0,1,1,0,0|2,0,0]=4 42 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-27927 [0,0,0,1,0,1|2,0,0]=4 43 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC-3329 [0,0,0,1,0,1|2,0,0]=4 44 B12R2.24 O=C1CCC2=CC=CC=C2O1 AC-34197 [0,0,0,1,0,1|1,1,0]=4 45 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 AC-29365 [0,0,0,1,0,1|2,0,0]=4 46 B8R1.7 CC(=O)C1=CC=CO1 AC-11853 [1,0,0,0,1,0|2,0,0]=4 47 B8R1.7 CC(=O)C1=CC=CS1 AC-4918 [1,0,0,0,1,0|2,0,0]=4 48 B8R1.7 CC(=O)C1=CNC=C1 AC-13935 [1,0,0,0,1,0|1,0,0]=3 49 B8R1.7 CC(=O)C1=CNC=N1 AC-006 [1,0,0,0,1,0|2,0,0]=4 50 B8R1.7 CC(=O)C1=CSC=C1 AC-4928 [1,0,0,0,1,0|0,1,0]=3 51 B8R1.7 CC(=O)C1=CSC=N1 AC-25623 [1,0,0,0,1,0|1,1,0]=4 52 B8R1.7 CC(=O)N1C=CN=C1 AC-7521 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.7 NC(=O)C1=COC=N1 AC-29583 [1,0,0,0,1,0|2,0,0]=4 54 B8R1.7 O=C(O)C1=CNC=C1 AC-6181 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.7 O=C(O)C1=CNC=C1 AC-709 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.7 O=C(O)C1=COC=C1 AC-4439 [1,0,0,0,1,0|1,0,0]=3 57 B8R1.7 O=C(O)C1=COC=N1 AC-6589 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.7 O=C(O)C1=CSC=C1 AC-4905 [1,0,0,0,1,0|1,1,0]=4 59 B8R1.7 O=C(O)C1=NOC=C1 AC-14396 [1,0,0,0,1,0|2,0,0]=4