0 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 2620-1-57 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 2607-1-R5 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 O=CC1=CC=C(C(F)F)C=N1 4H15-3-1U [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 COC1=CN=C(C=O)N=C1 4H56-1-0A [1,0,0,0,0,0|3,0,0]=4 4 B10R1.3 N#CC1=CC=C(C=O)N=C1 4H37-1-65 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.3 NCC1=CC=C(CBr)C=C1 3730-9-07 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 1700-D-15 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC(C)C1=CC=C(N)N=C1 3H30-1-3E [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 4H55-1-1C [1,0,0,0,0,0|1,0,1]=3 9 B10R1.13 CC(C)C1=CN=C(N)N=C1 3H30-1-TT [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 1700-7-30 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 CC1=CC=C(C(C)O)C=N1 4H02-1-0E [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CN(C)C1=CC=C(F)C=N1 3H32-3-6P [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 6665-5-03 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 2602-5-R0 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 C[C@H](N)C1=CC=C(Cl)N=C1 3H30-5-S6 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 2607-1-X2 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.48 CC1=CC([N+](=O)[O-])=CC=C1C=O 4754-1-2G [0,1,0,0,0,0|3,0,0]=4 18 B12R1.48 COC1=C(Br)C=C(N(C)C)C=C1 4656-9-0P [0,1,0,0,0,0|3,0,0]=4 19 B12R1.48 O=CC1=C(Cl)C=C([N+](=O)[O-])C=C1 4654-5-23 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 4H58-1-618 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.256 CC(O)C1=CC=C(B(O)O)C=C1 6660-1-66 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.256 O=C(O)C1=CC=C(C(=O)Cl)C=C1 2621-5-1B [0,1,0,0,0,0|2,0,1]=4 23 B12R1.452 CC1=CC(C=O)=CN=C1N(C)C 4H56-1-0DV [0,1,0,0,0,0|2,0,0]=3 24 B12R2.9 NCC1=CC=C(C2CC2)N=C1 3H30-1-KT [0,0,0,1,0,0|2,0,1]=4 25 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 2715-1-35 [0,0,0,1,0,0|0,0,0]=1 26 B12R1.4 CC(=O)SC1=CC=C(C=O)C=C1 6666-1-0V [0,0,0,0,0,1|1,0,1]=3 27 B12R1.4 CC(C)SC1=CC=C(C=O)C=C1 6666-1-0Y [0,0,0,0,0,1|0,0,0]=1 28 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 3637-1-19 [0,0,0,0,0,1|2,0,1]=4 29 B12R1.4 O=CC1=CC=C(SC(F)F)C=C1 6666-3-09 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.1 CCC1=CC=C(Br)N=C1 3H32-9-5W [2,0,0,0,0,0|2,0,0]=4 31 B9R1.1 CCC1=NNC(=O)C=C1 4H48-1-08A [2,0,0,0,0,0|2,0,0]=4 32 B11R1.83 CCOC1=CC=C(CBr)C=C1 2707-9-15 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.279 CC1=CC(C=O)=CC=C1C#N 4737-1-0W [1,1,0,0,0,0|1,0,1]=4 34 B11R1.279 CCC1=CC=C(C=O)C(O)=C1 2715-1-57 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.279 COC1=CC=C(C=O)C(C)=N1 4H15-1-6X [1,1,0,0,0,0|2,0,0]=4 36 B11R1.279 COC1=CC=C(C=O)C(N)=C1 4656-1-0G [1,1,0,0,0,0|1,0,0]=3 37 B11R1.279 COC1=CC=C(C=O)N=C1Br 4H56-9-L2 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 4H50-1-0D [1,1,0,0,0,0|1,0,1]=4 39 B11R1.19 CC(C)(O)C1=CC=C(Br)C=N1 4H03-9-01 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.19 C[Si](C)(C)C1=CC=C(O)C=C1 6680-1-09 [1,1,0,0,0,0|0,1,1]=4 41 B11R1.21 CC(C)C1=CC=C(F)C(O)=C1 2701-3-0S [1,1,0,0,0,0|1,0,0]=3 42 B11R1.22 CC1=CC=C(C(O)CN)C=C1 4756-5-0A [1,1,0,0,0,0|1,0,1]=4 43 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 4756-1-RV [1,1,0,0,0,0|1,0,1]=4 44 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 4656-9-S3 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 2604-5-R1 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 3637-5-12 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1Cl 3630-5-R2 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 3631-F-S0 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1Cl 3630-5-S2 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 8H21-1-0K [0,1,0,0,1,0|2,0,0]=4 51 B13R1.4 CC(C)(C)SC1=CC=C(CO)C=C1 6266-1-01 [0,1,0,0,0,1|0,0,2]=4 52 B13R1.35 CC(C)OC1=CC=C(C=O)C(O)=C1 2615-1-80 [0,1,0,0,0,1|0,0,0]=2 53 B13R1.585 CC(C)NC1=CC=C(C(=O)O)N=N1 4H57-1-0K [0,1,0,0,0,1|2,0,0]=4 54 B13R1.39 COC(OC)C1=CC=C(C=O)C=C1 2615-1-1M [0,2,0,0,0,0|0,0,0]=2 55 B13R1.95 COC(=O)C1=CC=C(C=O)C=C1Br 2623-9-35 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.187 COC1=CC=C(C(C)(O)CN)C=C1 4H56-5-4N [0,2,0,0,0,0|2,0,0]=4 57 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 2623-1-2D [0,2,0,0,0,0|1,0,1]=4 58 B13R1.537 CNC(=O)C1=CC=C(C(=O)O)C=C1 4648-1-79 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 2723-1-1K [0,2,0,0,0,0|1,0,1]=4 60 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=N1 4H21-1-CV [0,2,0,0,0,0|2,0,0]=4 61 B13R1.338 CC(C)(O)C1=CC=C(B(O)O)C=C1 6660-1-64 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.120 CC(=O)C1=CC=C(C(=O)O)C(C)=C1 2729-1-0X [0,2,0,0,0,0|1,0,1]=4 63 B13R1.120 CC(=O)C1=CC=C(C(=O)O)C=C1O 2629-1-4B [0,2,0,0,0,0|1,0,1]=4 64 B13R1.120 CN(C)C1=CC=C(C(=O)O)C(Cl)=N1 4H58-5-X6 [0,2,0,0,0,0|2,0,0]=4 65 B11R2.190 OCC1=CC=C2C=CC2=C1 2601-1-0H [1,0,0,1,0,0|2,0,0]=4 66 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 2609-9-R0 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.34 ClC1=NC=C(C2CC2)C=C1 3H32-5-US [1,0,0,1,0,0|2,0,0]=4 68 B13R2.2121 O=CC1=CC=C2NC(=O)CC2=C1 4H15-1-4J [0,0,0,1,0,1|1,0,1]=4 69 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 4H21-1-GN [0,1,0,1,0,0|2,0,0]=4 70 B9R1.21 O=CC1=CC=C(CCl)O1 2H15-5-08 [1,0,0,0,1,0|2,0,0]=4 71 B11R1.20 CC(C)CC1=CC=C(O)C=C1 2701-1-1K [1,0,0,0,0,1|0,0,1]=3 72 B11R1.20 CC(C)NC1=CC=C(F)C=N1 3H31-3-1M [1,0,0,0,0,1|2,0,0]=4 73 B11R1.20 CC(C)OC1=CC=C(O)C=N1 4H07-1-4S [1,0,0,0,0,1|1,0,1]=4 74 B11R1.20 CC(C)SC1=CC=C(O)C=C1 6666-1-0X [1,0,0,0,0,1|0,0,1]=3 75 B11R1.20 CC(C)SC1=NC=C(Cl)C=C1 7H66-5-0V [1,0,0,0,0,1|2,0,0]=4 76 B11R1.20 CN(C)CC1=CC=C(Cl)C=C1 3632-5-0A [1,0,0,0,0,1|2,0,0]=4 77 B11R1.20 CN(C)CC1=CC=C(O)C=C1 4632-1-0S [1,0,0,0,0,1|1,0,1]=4 78 B11R1.266 CC(C)C1=CC(C#N)=NC=C1 3H37-1-7S [0,0,0,0,1,1|1,0,1]=4 79 B11R1.266 O=CC1=CC=NC(C(F)F)=C1 4H15-3-Z5 [0,0,0,0,1,1|2,0,0]=4 80 B13R1.3 CC(=O)\C=C\C1=CC=C(C=O)C=C1 2917-1-0L [0,0,0,0,0,2|1,0,1]=4