0 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 8H70-9-03 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.22 CC1=NC(C=O)=C(Br)S1 8H15-9-02 [1,0,0,0,0,0|2,1,0]=4 2 B9R1.22 CC1=NC(CN)=C(C)O1 4H56-1-4U [1,0,0,0,0,0|2,0,1]=4 3 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 6H15-5-01 [1,0,0,0,0,0|2,1,0]=4 4 B9R1.35 CC(=O)C1=CC(C)=NS1 8H15-1-0F [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 CC(=O)C1=CC=C(Br)O1 2H17-9-30 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC(=O)N1C=CC(N)=C1 4H48-1-WC [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 CC1=NC(C(=O)Cl)=CO1 4H56-5-H1 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.41 CC(=O)C1=NON=C1C 4H17-1-6E [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 CC1=C(C(=O)Cl)C=CS1 6H16-5-0A [1,0,0,0,0,0|1,1,0]=3 10 B9R1.41 CC1=C(C(=O)Cl)N=CO1 4H16-5-X7 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.41 CC1=CNC=C1C(=O)O 4H21-1-63 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.225 COC(=O)C1=C(C)NC(=O)C1 4H23-1-9X [0,1,0,0,0,0|2,0,1]=4 13 B11R1.225 COC(=O)C1=C(C)OC(C)=N1 4H23-1-JP [0,1,0,0,0,0|1,0,0]=2 14 B11R1.225 COC(=O)C1=C(C)SC(C)=C1 6H23-1-0R [0,1,0,0,0,0|0,1,0]=2 15 B11R1.672 CC1=C(Br)C(C)=C(C(=O)O)N1 4H21-9-0N [0,1,0,0,0,0|3,0,0]=4 16 B9R0.48 CCOC(=O)\C=C\C(C)=O 2329-1-07 [0,0,1,0,0,0|1,0,1]=3 17 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 4H21-5-19 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.74 CC1=CC([N+](=O)[O-])=CC(C)=N1 4H54-1-KH [0,0,0,0,0,1|3,0,0]=4 19 B11R1.166 CC(=O)C1=C(C)N=C(O)C=C1 4H17-1-4Y [0,0,0,0,0,1|2,0,0]=3 20 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 4656-5-56 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.166 CC(=O)C1=CN=C(Cl)N=C1Cl 4H56-5-F2 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.166 CC1=CC(Br)=C(C(N)=O)C=C1 4748-9-0B [0,0,0,0,0,1|3,0,0]=4 23 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=N1 4H16-5-65 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 4H21-3-71 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.166 CC1=NC(N)=CC=C1C(=O)O 4H57-1-51 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.167 CC(=O)C1=CC(O)=CC=C1Cl 2617-5-1F [0,0,0,0,0,1|3,0,0]=4 27 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 4H57-1-73 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O 4H58-5-5X [0,0,0,0,0,1|3,0,0]=4 29 B8R1.1 CC1=CC(C=O)=NN1 4H15-1-7M [2,0,0,0,0,0|2,0,0]=4 30 B8R1.1 CC1=CC=C(C=O)N1 4H15-1-7U [2,0,0,0,0,0|2,0,0]=4 31 B8R1.1 CC1=CNC(C=O)=C1 4H15-1-4K [2,0,0,0,0,0|2,0,0]=4 32 B8R1.1 CC1=NSC(C=O)=C1 8H15-1-0J [2,0,0,0,0,0|2,0,0]=4 33 B8R1.1 O=CC1=COC(Br)=C1 2H15-9-04 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.11 CC1=C(C=O)NC=C1 4H15-1-BV [2,0,0,0,0,0|2,0,0]=4 35 B8R1.18 CC1=CC(I)=C(C)S1 5H66-H-06 [2,0,0,0,0,0|1,1,0]=4 36 B8R1.7 CC(=O)C1=CNN=C1 4H17-1-3L [2,0,0,0,0,0|2,0,0]=4 37 B8R1.7 CC(N)C1=COC=C1 4H30-1-CY [2,0,0,0,0,0|1,0,1]=4 38 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 4H15-9-07 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.14 COC(=O)C1=CN(C)C=C1 4H23-1-GT [1,1,0,0,0,0|2,0,0]=4 40 B10R1.14 COC(=O)C1=CNC(C)=C1 4H23-1-KY [1,1,0,0,0,0|1,0,0]=3 41 B10R1.149 COC(=O)C1=C(C)C=CN1 4H23-1-G5 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.149 COC(=O)C1=CON=C1C 4H23-1-LE [1,1,0,0,0,0|2,0,0]=4 43 B10R1.192 CC(=O)C1=C(C)NN=C1C 4H17-1-A2 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.358 CC1=CC(C(=O)CBr)=CC(Br)=C1 2717-9-0A [0,1,0,0,0,1|2,0,0]=4 45 B12R1.358 COC(=O)C1=CC(C)=CC(F)=C1 2723-3-0M [0,1,0,0,0,1|2,0,0]=4 46 B12R1.358 COC(=O)C1=CC(C)=CC(O)=C1 2729-1-0S [0,1,0,0,0,1|2,0,0]=4 47 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1I 4748-H-00 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.232 CC(=O)C1=CC(I)=C(Cl)N=C1C 4H56-M-00 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.1703 COC(=O)C1=C(F)C=C(C)C=C1 2723-3-0C [0,1,0,0,0,1|2,0,0]=4 50 B12R1.46 COC1=CC=C(C)C=C1C(=O)O 2721-1-3C [0,1,0,0,0,1|2,0,0]=4 51 B12R1.453 COC1=CC=C(F)C(C(C)=O)=C1 2617-3-0U [0,1,0,0,0,1|2,0,0]=4 52 B12R1.1926 CCC1=C(C(=O)OC)NC(C)=N1 4H23-1-8E [0,2,0,0,0,0|2,0,0]=4 53 B12R1.3443 COC(=O)C1=C(Cl)N(C)N=C1C 4H23-5-3P [0,2,0,0,0,0|2,0,0]=4 54 B12R2.202 O=C1NCCC2=C1C=C(Br)S2 8H66-9-19 [0,1,0,1,0,0|1,1,0]=4 55 B10R1.25 CC1=CC(Cl)=NC=C1C=O 4H15-5-1K [1,0,0,0,0,1|2,0,0]=4 56 B10R1.25 CC1=NC(C)=C(C=O)C=N1 4H15-1-37 [1,0,0,0,0,1|1,0,0]=3 57 B10R1.13 O=C1C=CC(C(=O)Cl)=CO1 2H16-5-08 [1,0,0,0,0,1|2,0,0]=4 58 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1C 2617-5-0N [0,0,0,0,0,2|2,0,0]=4 59 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 4748-1-0F [0,0,0,0,0,2|1,0,0]=3