0 B11R1.3 C=CC1=CC=C(C(C)=O)C=C1 E72714 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D82958 [0,0,0,0,0,0|1,1,0]=2 2 B11R1.3 CC(C)C1=CC=C(CO)C=C1 D97386 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.3 CC(C)C1=NC=C(C=O)C=N1 81918 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 CK2116 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CN(C)C1=CC=C(CN)C=C1 82875 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 CN(C)C1=CC=C(CN)C=C1 C90108 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 A50923 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.3 CN(C)C1=NC=C(CN)C=C1 C90463 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 COC1=CC=C([S@](C)=O)C=C1 W16290 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20994 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16991 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.3 C=CC1=CC=C(CN)C=C1 CK2398 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.3 CCC1=CC=C(CC)C=C1 D88164 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.3 CCC1=NC=C(C=O)C=N1 81904 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.3 CSC1=CC=C(CBr)C=C1 79951 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 CSC1=CC=C(CN)C=C1 AT20993 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 D91275 [1,0,0,0,0,0|0,0,3]=4 21 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [1,0,0,0,0,0|1,0,1]=3 27 B12R1.5 CC[C@H](O)C1=CC=C(OC)C=C1 N12428 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12139 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.6 C#CC1=CC=C([Si](C)(C)C)C=C1 T71876 [0,1,0,0,0,0|1,1,1]=4 30 B12R1.6 CC(C)(C)C1=NC=C(C#N)C=C1 94355 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=N1 AT18261 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.6 O=CC1=CC=C(S(=O)(=O)[O-])C=C1 C14667 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.48 O=CC1=C(Cl)C=C([N+](=O)[O-])C=C1 D78652 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 C13352 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 C78495 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53523 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53578 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.256 NC(=O)C1=CC=C(C(N)=O)C=C1 D92284 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 20023 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 53724 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.452 CC1=C(B(O)O)C=CC(C=O)=C1 W16721 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.31 CC(=O)C1=CNC(C=O)=C1 D75710 [0,0,0,0,1,0|2,0,1]=4 43 B10R1.31 CC(C)N1C=CC(C=O)=C1 H10552 [0,0,0,0,1,0|1,0,0]=2 44 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 D86769 [0,0,0,0,0,1|1,0,1]=3 45 B9R1.1 BC1=CC=C(OC)C=C1 F10893 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 C=CC1=CC=C(Cl)C=C1 W15543 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [2,0,0,0,0,0|0,1,1]=4 48 B9R1.1 CC1=CC=C(NN)C=C1 W10666 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [2,0,0,0,0,0|0,1,0]=3 50 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.1 CSC1=CC=C(C)C=C1 D91411 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.1 O=CC1=CN=C(O)C=C1 BL005396 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.83 CCC1=CC=C(CCN)C=C1 C78380 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.83 CCNC1=NC=C(C=O)C=N1 AT18390 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.83 CCOC1=CC=C(CBr)C=C1 O10318 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.83 COC1=CC=C(CCN)C=C1 30800 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.279 CCC1=C(Cl)C=C(OC)C=C1 75487 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.19 CC(C)(F)C1=CN=C(Br)C=C1 AC1550 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 D86508 [1,1,0,0,0,0|0,0,1]=3 70 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [1,1,0,0,0,0|0,0,1]=3 74 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.45 CC(C)(C)C1=NNC(C=O)=C1 AT15965 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 H11619 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 S10283 [0,1,0,0,1,0|2,0,0]=4 82 B13R1.5 CN[C@@H](C)CC1=CC=C(OC)C=C1 N10879 [0,1,0,0,0,1|2,0,0]=4 83 B13R1.36 CCC1=CC=C(C(=O)C(C)C)C=C1 N12421 [0,1,0,0,0,1|1,0,1]=4 84 B13R1.36 COC1=CC=C(C(=O)C(C)C)C=C1 N12423 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 F21203 [0,1,0,0,0,1|1,0,1]=4 86 B13R1.585 CC(=O)NC1=CC=C(C(=O)Cl)C=C1 F16187 [0,1,0,0,0,1|1,0,1]=4 87 B13R1.585 O=C(O)C1=CC=C(SC(F)F)C=C1 AT20806 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.39 CCN(CC)C1=CC=C(N=O)C=C1 D91662 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.187 COC1=CC=C(C(C)(C)CN)C=C1 74868 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.537 CC(C)C1=CC=C(C(=O)CBr)C=C1 E72216 [0,2,0,0,0,0|0,0,0]=2 91 B13R1.537 CC[C@H](C)C1=CC=C(B(O)O)C=C1 AT12654 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.537 COC(=O)C1=CC=C(C(C)C)C=C1 D95419 [0,2,0,0,0,0|0,0,0]=2 93 B13R1.537 CO[C@@H](C)C1=CC=C(B(O)O)C=C1 AT12629 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.537 NNC(=O)C1=CC=C(C(F)F)C=C1 E71987 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.38 CC(C)(C)C1=CC(Br)=C(CBr)C=C1 C90438 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.38 CC1=C(C=O)C=CC(C(F)(F)F)=C1 N12282 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.96 CC1=C(C(F)(F)F)C=CC(C=O)=C1 C90751 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.96 CS(=O)(=O)C1=C(F)C=C(C=O)C=C1 F21108 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 24062 [0,2,0,0,0,0|0,1,0]=3 100 B13R1.74 CC(C)C1=CC=C(OCCBr)C=C1 98069 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.74 CN(C)C1=CC=C(\C=C/C#N)C=C1 T70751 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.159 CC1=CC=CC(C(C)C)=C1N D85846 [0,0,1,1,0,0|2,0,0]=4 103 B11R2.34 ClC1=CC=C([C@@H]2CO2)C=C1 58242 [1,0,0,1,0,0|2,0,0]=4 104 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 V10033 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.21 CCC1=CC=C(C=O)O1 F14735 [1,0,0,0,1,0|1,0,0]=3 106 B11R1.266 O=CC1=CC=CC(C(F)F)=C1 AT10626 [0,0,0,0,1,1|2,0,0]=4