0 B9R1.35 CC(=O)C1=CC(C)=NS1 8H15-1-0F [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CC=C(Br)O1 2H17-9-30 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 CC(=O)C1=NC=C(Br)S1 8H70-9-16 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.35 CC(=O)N1C=CC(N)=C1 4H48-1-WC [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(N)C1=NN(C)C=C1 3H30-1-91 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1=NC(C(=O)Cl)=CO1 4H56-5-H1 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=NC(C(C)N)=CS1 7H30-1-0E [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 NC1=NC(C(=O)O)=CN1 4H57-1-0E [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 O=C(O)C1=CC(I)=CN1 4H21-H-0D [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CC1=CC(C=O)=NN1 4H15-1-7M [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 CC1=CC=C(C=O)N1 4H15-1-7U [1,0,0,0,0,0|1,0,0]=2 11 B8R1.1 CC1=CN=C(C=O)S1 8H70-1-Y8 [1,0,0,0,0,0|1,1,0]=3 12 B8R1.1 CC1=CNC(C=O)=C1 4H15-1-4K [1,0,0,0,0,0|2,0,0]=3 13 B8R1.1 CC1=CNC(C=O)=N1 4H15-1-7G [1,0,0,0,0,0|2,0,0]=3 14 B8R1.1 CC1=NC=C(CO)O1 4H01-1-5U [1,0,0,0,0,0|1,0,2]=4 15 B8R1.1 CC1=NSC(C=O)=C1 8H15-1-0J [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 N#CC1=CC=C(Br)O1 4H37-9-09 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.1 NCC1=CC=C(Br)O1 4H56-9-8P [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 O=CC1=CC(I)=CS1 6H15-H-00 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 O=CC1=CC(O)=CS1 6H15-1-0J [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 O=CC1=CC=C(O)S1 6H15-1-0H [1,0,0,0,0,0|1,1,0]=3 21 B8R1.1 O=CC1=COC(Br)=C1 2H15-9-04 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CC(=O)C1=CNN=C1 4H17-1-3L [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 CC(=O)C1=NC=CN1 4H17-1-3M [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 CC(N)C1=CC=CO1 4H56-1-1T [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 CC(N)C1=CN=CO1 4H30-1-39 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 NC(=O)C1=CC=NO1 4H48-1-H4 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.14 COC(=O)C1=CC(O)=CS1 6H23-1-0V [0,1,0,0,0,0|3,0,0]=4 28 B10R1.14 COC(=O)C1=CC=C(Cl)O1 2H23-5-0B [0,1,0,0,0,0|1,0,0]=2 29 B10R1.14 COC(=O)C1=CN(C)C=C1 4H23-1-GT [0,1,0,0,0,0|2,0,0]=3 30 B10R1.14 COC(=O)C1=CN=C(Br)O1 4H58-9-5S [0,1,0,0,0,0|2,0,0]=3 31 B10R1.14 COC(=O)C1=CNC(C)=C1 4H23-1-KY [0,1,0,0,0,0|2,0,0]=3 32 B10R1.14 COC(=O)C1=NC=C(C)S1 8H23-1-0R [0,1,0,0,0,0|1,1,0]=3 33 B10R1.14 [C-]#[N+]C(C)C1=CC=C(C)S1 7H37-1-0U [0,1,0,0,0,0|1,1,1]=4 34 B10R1.31 O=C(O)C1=CSC(CO)=N1 8H70-1-6C [0,1,0,0,0,0|3,0,0]=4 35 B10R1.58 CN1N=C(C(=O)O)C=C1N 4H58-1-AM [0,1,0,0,0,0|3,0,0]=4 36 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 4H21-5-3P [0,1,0,0,0,0|3,0,0]=4 37 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 4H57-1-0N [0,1,0,0,0,0|3,0,0]=4 38 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,0,1,0,0,0|1,0,2]=4 39 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 4H17-5-2C [0,0,0,0,0,1|2,0,0]=3 40 B10R1.13 CC1=CC=C(C(C)O)C=N1 4H02-1-0E [0,0,0,0,0,1|1,0,2]=4 41 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 6665-5-03 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.13 NC(=O)C1=CN=C(F)C=C1 4H48-3-8L [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 NC1=CC=C(C(=O)Cl)C=C1 4630-5-0B [0,0,0,0,0,1|3,0,0]=4 44 B10R1.13 O=C(Cl)C1=CC=C(F)C=N1 4H16-7-0B [0,0,0,0,0,1|3,0,0]=4 45 B10R1.13 O=C1C=CC(C(=O)Cl)=CO1 2H16-5-08 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.54 CC(=O)NC1C=CC(=O)O1 4H58-1-327 [0,0,0,0,0,1|1,0,1]=3 47 B10R1.113 CC1=CC(N(C)N)=CC=C1 3739-1-01 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 6665-5-04 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.113 CS(=O)C1=CC(O)=CC=C1 6665-1-0E [0,0,0,0,0,1|3,0,0]=4 50 B10R1.113 NC(=O)C1=CC=NC(F)=C1 4H48-3-8M [0,0,0,0,0,1|3,0,0]=4 51 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 4H16-D-02 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.113 O=C(Cl)C1=CN=CC(F)=C1 4H16-7-0E [0,0,0,0,0,1|3,0,0]=4 53 B7R0.4 C\C=C\C=C\C(C)=O 2317-1-0E [1,0,1,0,0,0|0,0,0]=2 54 B9R1.21 O=CC1=CC=C(CCl)O1 2H15-5-08 [1,1,0,0,0,0|0,0,0]=2 55 B9R1.22 CC1=NC(C=O)=C(Br)S1 8H15-9-02 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.11 COC(=O)C1=COC=N1 4H23-1-CN [1,1,0,0,0,0|2,0,0]=4 57 B9R1.11 COC(=O)C1=NOC=C1 4H23-1-J4 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.11 NCC(O)C1=CC=CO1 4H30-1-T0 [1,1,0,0,0,0|0,0,2]=4 59 B9R1.41 CC(O)C1=C(Br)C=CO1 2H02-9-00 [1,1,0,0,0,0|0,0,2]=4 60 B9R1.41 O=C(O)C1=C(Br)C=CO1 2H21-9-0K [1,1,0,0,0,0|1,0,0]=3 61 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 2620-1-57 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.3 CNC1=CC=C(C(=O)O)N=N1 4H57-1-0Q [0,1,0,0,0,1|2,0,0]=4 63 B11R1.3 O=C(O)C1=CC=C(CBr)N=C1 4H58-9-97 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.21 CC(=O)C1=CC(O)=C(Cl)C=C1 2617-5-1G [0,1,0,0,0,1|2,0,0]=4 65 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 4756-1-1S [0,1,0,0,0,1|1,0,0]=3 66 B11R1.21 CC(=O)C1=CC=C(N)C(Cl)=C1 4656-5-2D [0,1,0,0,0,1|2,0,0]=4 67 B11R1.21 CC(=O)C1=CC=C(N)C(I)=C1 4656-H-0A [0,1,0,0,0,1|2,0,0]=4 68 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 4756-5-16 [0,1,0,0,0,1|1,0,0]=3 69 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 4648-5-0U [0,1,0,0,0,1|2,0,0]=4 70 B11R1.22 O=C(CCl)C1=CC=C(F)C=N1 4H17-7-0M [0,1,0,0,0,1|2,0,0]=4 71 B11R1.166 CC(=O)C1=C(C)N=C(O)C=C1 4H17-1-4Y [0,1,0,0,0,1|2,0,0]=4 72 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 4656-5-56 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.166 CC1=CC(Br)=C(C(N)=O)C=C1 4748-9-0B [0,1,0,0,0,1|2,0,0]=4 74 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=N1 4H16-5-65 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 4H21-3-71 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.80 CC(=O)NC1=NC(Br)=C(C)S1 8H70-9-0G [0,1,0,0,0,1|1,1,0]=4 77 B11R1.80 CC(=O)NC1=NC(C)=C(C)N1 4H48-1-021 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.23 CNC(=O)C1=CC(Cl)=CC=C1 4648-5-2X [0,1,0,0,0,1|2,0,0]=4 79 B11R1.23 COC(=O)C1=CC=NC(C)=C1 4H23-1-DB [0,1,0,0,0,1|1,0,0]=3 80 B11R1.23 COC(=O)C1=CC=NC(C)=N1 4H23-1-D2 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.23 COC(=O)C1=CN=CC(C)=N1 4H58-1-ZY [0,1,0,0,0,1|1,0,0]=3 82 B11R1.23 NC1=CC=CC(C(=O)CBr)=C1 4656-9-0Q [0,1,0,0,0,1|2,0,0]=4 83 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 4H21-5-19 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.159 CC1=CC=CC(C(N)=O)=C1O 4748-1-46 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.167 CC(=O)C1=CC(O)=CC=C1Cl 2617-5-1F [0,1,0,0,0,1|2,0,0]=4 86 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 4H57-1-73 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 4H21-9-09 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.15 CCOC(=O)C1=CC=C(O)S1 6H23-1-0S [0,2,0,0,0,0|1,1,0]=4 89 B11R1.15 CCOC(=O)C1=COC(C)=N1 4H23-1-7C [0,2,0,0,0,0|2,0,0]=4 90 B11R1.44 CCC1=CC=C(C(=O)OC)S1 6H23-1-0P [0,2,0,0,0,0|0,1,0]=3 91 B11R1.225 COC(=O)C1=C(C)OC(C)=N1 4H23-1-JP [0,2,0,0,0,0|2,0,0]=4 92 B11R1.225 COC(=O)C1=C(C)SC(C)=C1 6H23-1-0R [0,2,0,0,0,0|2,0,0]=4 93 B11R1.124 CCOC1=CC=C(C(=O)O)S1 6H66-1-0N [0,2,0,0,0,0|1,1,0]=4 94 B11R1.672 CC1=C(Br)C(C)=C(C(=O)O)N1 4H21-9-0N [0,2,0,0,0,0|2,0,0]=4 95 B9R1.6 CC(=O)C1=CC=CN=N1 4H56-1-030 [0,0,1,1,0,0|2,0,0]=4 96 B9R1.2 COC1=CC=NC(C)=C1 4H56-1-282 [1,0,0,0,0,1|2,0,0]=4 97 B11R1.20 CC(=O)NC1=CC=C(Cl)N=C1 4H48-5-HJ [0,0,0,0,0,2|2,0,0]=4 98 B11R1.157 CC(=O)NC1=CC(C)=CN=N1 4H48-1-WF [0,0,0,0,0,2|2,0,0]=4