0 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 CS-W022908 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 CC(C)C1=CC=C(NN)C=C1 CS-D0049 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.3 COC1=CC=C(S(C)=O)C=C1 CS-0046999 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 CS-W019916 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 CS-0079978 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 CS-B0178 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 CS-B0961 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 CS-D0215 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.3 C[C@@H](O)C1=CC=C(C#N)C=C1 CS-0102856 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 CS-B0175 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.3 C=CC1=CC=C(C=O)C=C1 CS-0109481 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.3 CCC1=CC=C(C=O)C=C1 CS-W013373 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.3 COC1=CC=C(SC)C=C1 CS-0019062 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.3 O=CC1=CC=C(CO)C=C1 CS-W005041 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 CC(C)C1=NC=C(Br)C=N1 CS-0043184 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC1=CC=C(C(C)O)C=N1 CS-B0462 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0000299 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-W008911 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.13 CN(C)C1=NC=C(Br)C=C1 CS-0030447 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS-0045370 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 C[C@@H](N)C1=CC=C(Br)N=C1 CS-0101414 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 CS-0101411 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.5 COC(=O)C1=CC=C(C=O)N=C1 CS-D0517 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 CS-0105383 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.6 O=CC1=NC=C(C(F)(F)F)C=C1 CS-W008800 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.48 CC1=CC(N(C)C)=CC=C1C=O CS-M3674 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.48 NC1=C(C=O)C=CC(N(=O)=O)=C1 CS-0043821 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 CS-W001939 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 CS-M0656 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.256 O=C(O)C1=CC=C(C(F)F)N=C1 CS-0094705 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.452 O=CC1=CC=C([N+](=O)[O-])C(Br)=C1 CS-W006816 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.452 O=CC1=CC=C([N+](=O)[O-])C(Cl)=C1 CS-0063901 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 CS-W021225 [0,0,0,0,0,1|2,0,1]=4 37 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 CS-W008312 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.1 CNC1=CC=C(Br)C=C1 CS-0038061 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 FCC1=CC=C(Br)C=C1 CS-0047008 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 NCC1=CC=C(I)C=C1 CS-W014680 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 O=CC1=NC=C(Br)C=C1 CS-D0959 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 CC(Cl)C1=CN=CC=C1 CS-0046962 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 CC(N)C1=CC=NC=C1 CS-0109447 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.83 C#CC1=CC=C(CCC)C=C1 CS-W016378 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.83 COC1=CC=C(CC=O)C=C1 CS-W005835 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.83 N#CC1=CC=C(CCBr)C=C1 CS-W018706 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.83 N#CC1=CC=C(CCO)C=C1 CS-W018212 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.279 COC1=C(C)C=C(C=O)C=N1 CS-0036769 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 CS-W007358 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS-W005706 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 CS-0047137 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 CS-0043153 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.279 O=CC1=CC=C(CO)C=C1O CS-B1351 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 CS-D0288 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 CS-0068255 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 CS-0040229 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 CS-0040235 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.21 CC1=CC=C([C@H](C)N)C=C1F CS-0101697 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 CS-D0220 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 CS-0046949 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 CS-0096195 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 CC(N)C1=CC=C(Br)C=C1F CS-0101631 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 CS-W006370 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 CS-B0671 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 CS-W006141 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.95 COC(=O)C1=CC=C(C=O)C=C1Cl CS-0038173 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 CS-B1229 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 CS-0097281 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.537 CC(NN)C1=CC=C(C(=O)O)C=C1 CS-0030356 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 CS-M0170 [0,2,0,0,0,0|1,0,1]=4 74 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 CS-B0181 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 CS-D0445 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.38 O=CC1=C(Br)C=C(C(F)(F)F)C=C1 CS-W005029 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 CS-W007389 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=N1 CS-0043067 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.338 CC(C)(O)C1=CC=C(B(O)O)C=C1 CS-W006341 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)O)C=C1 CS-0042842 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.338 C[C@@H](N)C1=CC=C(S(C)(=O)=O)C=C1 CS-D0007 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 CS-D0008 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.338 C[Si](C)(C)C1=CC=C(C(=O)O)C=C1 CS-0045314 [0,2,0,0,0,0|0,1,0]=3 84 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 CS-W015961 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.120 CC(=O)C1=CC=C(C(=O)O)C=C1O CS-0102722 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.120 CC(C)C1=CC=C([N+](=O)[O-])C=C1Br CS-0105509 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.120 O=C(O)C1=CC=C(C(Br)Br)C(F)=C1 CS-0105626 [0,2,0,0,0,0|2,0,0]=4 88 B11R2.190 C=CC1=CC2=C(C=C1)CC2 CS-W006426 [1,0,0,1,0,0|1,0,0]=3 89 B11R2.34 BrC1=CC=C(C2CC2)C=C1 CS-W023171 [1,0,0,1,0,0|1,0,0]=3 90 B11R2.34 BrC1=CN=C(C2CC2)C=C1 CS-W022305 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.34 O=C1C=CC(C2CC2)=CN1 CS-B1135 [1,0,0,1,0,0|1,0,0]=3 92 B11R2.34 OC1=CC=C(C2CC2)C=C1 CS-0028399 [1,0,0,1,0,0|0,0,1]=3 93 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 CS-M0173 [0,1,0,1,0,0|1,0,1]=4 94 B13R2.2130 CN1N=CC2=C1C=CC(C=O)=C2 CS-0043896 [0,1,0,1,0,0|1,0,1]=4 95 B13R2.430 CC(N)C1=CC2=C(C=C1)NC=C2 CS-0035983 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 CS-0040765 [0,1,0,1,0,0|0,0,0]=2 97 B13R2.428 O=[N+]([O-])C1=CC=C(C2CO2)C=C1 CS-0098547 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.428 OB(O)C1=CC=C(C2CC2)C=C1 CS-0040763 [0,1,0,1,0,0|1,0,1]=4 99 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 CS-0028738 [0,0,0,0,0,2|0,0,0]=2 100 B13R1.3 O=CC1=CC=C(OCC(F)F)C=C1 CS-0036312 [0,0,0,0,0,2|2,0,0]=4