0 B11R1.495 CC1=NOC(C)=C1CC(=O)O 17132 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.645 CC(=O)SC1CC(=O)OC1=O 23026 [0,1,0,0,0,0|1,0,2]=4 2 B11R1.645 O=C(O)CC1=CC(=O)OC1=O 21622 [0,1,0,0,0,0|3,0,0]=4 3 B9R1.41 CC1=C(C(=O)O)C=NO1 25805 [0,0,0,0,1,0|2,0,0]=3 4 B9R1.41 CC1=C(C(=O)O)N=CO1 26237 [0,0,0,0,1,0|2,0,0]=3 5 B9R1.41 CC1=C(C(=O)O)N=CS1 19136 [0,0,0,0,1,0|2,1,0]=4 6 B9R1.41 CC1=C(C(=O)O)SC=N1 25977 [0,0,0,0,1,0|3,0,0]=4 7 B9R1.41 CC1=NNC=C1C(=O)O 24720 [0,0,0,0,1,0|3,0,0]=4 8 B9R1.41 CC1=NOC=C1C(=O)O 17198 [0,0,0,0,1,0|3,0,0]=4 9 B9R1.41 CN1N=CC=C1C(=O)O 17033 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.41 O=C(O)C1=C(Br)SC=C1 30710 [0,0,0,0,1,0|2,1,0]=4 11 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 23255 [0,0,0,0,0,1|3,0,0]=4 12 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 30864 [0,0,0,0,0,1|3,0,0]=4 13 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 30033 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 27900 [0,0,0,0,0,1|2,0,0]=3 15 B8R0.23 C=C(NC(C)=O)C(=O)O 11790 [1,0,1,0,0,0|2,0,0]=4 16 B8R1.11 CC1=NNC=C1C=O 24725 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.11 CN1N=CC=C1C=O 17111 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 30816 [0,1,0,0,1,0|2,0,0]=4 19 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 25723 [0,1,0,0,1,0|2,0,0]=4 20 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 17143 [0,1,0,0,1,0|1,0,0]=3 21 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=N1 25058 [0,1,0,0,0,1|2,0,0]=4 22 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,0,1,1,0,0|2,0,0]=4 23 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,1|2,0,0]=4 24 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 20082 [0,0,0,1,0,1|2,0,0]=4 25 B8R1.7 CC(=O)C1=CC=CO1 29786 [1,0,0,0,1,0|2,0,0]=4 26 B8R1.7 CC(=O)C1=CSC=C1 26949 [1,0,0,0,1,0|0,1,0]=3 27 B8R1.7 CC(=O)N1C=CN=C1 02273 [1,0,0,0,1,0|2,0,0]=4 28 B8R1.7 CC(N)C1=COC=C1 18499 [1,0,0,0,1,0|1,0,1]=4 29 B8R1.7 O=C(O)C1=COC=C1 26942 [1,0,0,0,1,0|1,0,0]=3 30 B8R1.7 O=C(O)C1=COC=N1 17539 [1,0,0,0,1,0|2,0,0]=4 31 B8R1.7 O=C(O)C1=CON=C1 18200 [1,0,0,0,1,0|2,0,0]=4 32 B8R1.7 O=C(O)C1=CSC=C1 16738 [1,0,0,0,1,0|1,1,0]=4 33 B8R1.7 O=C(O)C1=CSC=C1 26948 [1,0,0,0,1,0|1,1,0]=4 34 B8R1.7 O=C(O)C1=NOC=C1 17364 [1,0,0,0,1,0|2,0,0]=4