0 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 CS-B0762 [0,0,0,0,0,0|1,1,0]=2 1 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 CS-0028773 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS-W008979 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 CS-W010778 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.83 CNCC1=CC=C(OC)C=C1 CS-D0541 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 CS-W019639 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 CS-0030788 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 CS-0043103 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 CS-0043106 [0,1,0,0,0,0|1,0,0]=2 9 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 CS-0062007 [0,0,0,1,0,0|1,0,0]=2 10 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 CS-W015634 [0,0,0,1,0,0|2,1,0]=4 11 B13R2.2121 COC1=CC=C2N=C(Br)SC2=C1 CS-M0621 [0,0,0,1,0,0|2,1,0]=4 12 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 CS-D1441 [0,0,0,1,0,0|2,1,0]=4 13 B13R2.2121 COC1=CC=C2SC(=S)NC2=C1 CS-0042731 [0,0,0,1,0,0|2,1,0]=4 14 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 CS-W007533 [0,0,0,0,1,0|2,0,1]=4 15 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 CS-W023080 [0,0,0,0,1,0|2,0,0]=3 16 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 CS-0101890 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 CS-0029513 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 CS-0011554 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.3 COC1=CC=C(C(=N)N)C=C1 CS-0042893 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS-W009176 [0,0,0,0,1,0|1,0,0]=2 21 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS-0094463 [0,0,0,0,1,0|1,0,1]=3 22 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 CS-0030800 [0,0,0,0,1,0|0,0,2]=3 23 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 CS-W009113 [0,0,0,0,1,0|1,0,1]=3 24 B11R1.3 COC1=CC=C([N+](=O)[O-])C=N1 CS-0082347 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS-W004797 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W015985 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS-W018100 [0,0,0,0,1,0|3,0,0]=4 28 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 CS-W008606 [0,0,0,0,0,1|1,0,0]=2 29 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 CS-W008390 [0,0,0,0,0,1|1,0,0]=2 30 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 CS-D0913 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.1 C=CCC1=CC=C(C)C=C1 CS-0109480 [2,0,0,0,0,0|0,0,1]=3 32 B10R1.1 CC1=CC=C(CC#N)C=C1 CS-W020586 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.3 C#CC1=CC=C(CC)C=C1 CS-W013433 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.3 C=CC1=CC=C(OC)C=C1 CS-W013377 [2,0,0,0,0,0|0,0,1]=3 36 B10R1.3 COC1=CC=C(C=O)C=N1 CS-D0960 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.3 COC1=CC=C(CO)C=C1 CS-W016493 [2,0,0,0,0,0|0,0,1]=3 38 B10R1.3 COC1=CC=C(CO)C=N1 CS-W018598 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.3 COC1=CC=C(OC)C=C1 CS-W016496 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS-W020006 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 CS-W022899 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.19 CC(=O)NC1=CC=C(C)C(Cl)=C1 CS-M1325 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Cl)=C1 CS-W020073 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 CS-0020117 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS-0059256 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(Cl)C=C1 CS-W005720 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 CS-0038025 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 CS-0036244 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-B1335 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS-W005447 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS-W005090 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS-W015389 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS-W016058 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 CS-W017841 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.48 COC1=CC=C(C(C)N)C=C1F CS-0094690 [0,1,0,0,1,0|1,0,1]=4 60 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N CS-0015286 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS-W007734 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 CS-W019576 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 CS-D0241 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.452 COC1=CC=C([N+](=O)[O-])C(C)=C1 CS-W017846 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=C1 CS-0028772 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=C1 CS-M1392 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.452 COC1=CC=C([N+](=O)[O-])C(O)=C1 CS-W000056 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.452 CSC1=CC=C(C(=O)O)C(C)=C1 CS-0102823 [0,1,0,0,1,0|1,1,0]=4 69 B14R1.2879 COC(=O)CC1=CC=C(C(=O)O)C=C1 CS-0105464 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.805 O=C(O)CC1=CC=C(OC(F)F)C=C1 CS-0042870 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.806 CS(=O)(=O)C1=CC=C(CC(=O)O)C=C1 CS-B0763 [0,2,0,0,0,0|1,1,0]=4 72 B14R1.101 COC1=CC(OC)=C(CC(=O)O)C=C1 CS-0046814 [0,2,0,0,0,0|1,0,0]=3 73 B12R2.606 CC1=CC=C2SC(C)=NC2=C1 CS-0063216 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 CS-W008941 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 CS-W008657 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.44 COC1=CC2=C(C=C1)CCN2 CS-0043041 [1,0,0,1,0,0|1,0,1]=4 77 B12R2.44 COC1=CC=C2NC=CC2=C1 CS-W007328 [1,0,0,1,0,0|1,0,1]=4 78 B14R2.134 COC1=CC2=C(C=C1)CCC(O)=N2 CS-0043696 [0,0,0,1,0,1|1,0,1]=4 79 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [1,0,0,0,1,0|1,0,0]=3 80 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [1,0,0,0,1,0|0,0,0]=2 81 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [1,0,0,0,1,0|1,0,0]=3 82 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS-B1315 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-D1603 [1,0,0,0,1,0|2,0,0]=4 84 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [1,0,0,0,1,0|1,0,1]=4 85 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS-W018071 [1,0,0,0,1,0|1,1,0]=4 88 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [1,0,0,0,1,0|2,0,0]=4 89 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 CS-B1377 [1,0,0,0,0,1|0,0,1]=3 91 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 CS-W019863 [1,0,0,0,0,1|2,0,0]=4 92 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 CS-M0190 [0,0,0,0,1,1|1,0,0]=3