0 B9R1.23 CC1=C(C)SC(C=O)=N1 HR143193 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.23 CCC1=NC(C)=C(C)S1 HR142794 [0,0,0,0,0,0|0,0,2]=2 2 B9R1.23 CCC1N=C(C)C(C)S1 HR132159 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.1 CC1=CSC(CO)=N1 HR106643 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.1 CCC1=CC=C(C)S1 HR107230 [1,0,0,0,0,0|1,0,2]=4 5 B8R1.1 CCC1=CCC(C)=C1 HR108113 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.1 CCC1=NC(C)=CN1 HR127274 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.1 CCC1=NC(C)=CS1 HR130200 [1,0,0,0,0,0|0,0,2]=3 8 B8R1.1 CCC1CCC(=O)O1 HR137195 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.18 CC1=C(C)SC(Br)=N1 HR102601 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.18 CC1=C(C)SC(N)=N1 HR107708 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.18 CC1=C(C)SC(N)=N1 HR120434 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.18 CC1=C(C)SC(N)=N1 HR145096 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.18 CC1=NC(C)=C(Br)S1 HR103403 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.18 CC1=NC(C)=C(C)O1 HR8636 [1,0,0,0,0,0|0,1,2]=4 16 B8R1.18 CC1=NC(C)=C(C)S1 HR122499 [1,0,0,0,0,0|0,0,2]=3 17 B8R1.18 CC1=NC(C)OC1C HR128475 [1,0,0,0,0,0|0,1,0]=2 18 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.8 CCCOC(=O)C(C)O HR104314 [0,0,1,0,0,0|2,1,0]=4 20 B8R0.8 CCCOC(=O)C(C)O HR143626 [0,0,1,0,0,0|2,1,0]=4 21 B8R0.19 CCC(C)CC(O)CC HR124313 [0,0,1,0,0,0|1,1,1]=4 22 B10R1.176 CCC1=CN=C(C)C(C)=N1 HR127941 [0,0,0,0,0,1|1,0,2]=4 23 B7R0.3 CCCOC(=O)CC HR127273 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.5 CCCC(=O)C(C)C HR130078 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.5 CCCC(C)C(=O)O HR131664 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.5 CCOC(=O)C(C)S HR126591 [1,0,1,0,0,0|2,0,0]=4 27 B7R1.1 CCC1=NC=CS1 HR130841 [2,0,0,0,0,0|0,0,2]=4 28 B7R1.2 CC1=CN=C(C)S1 HR137694 [2,0,0,0,0,0|0,0,2]=4 29 B7R1.2 CC1=CSC(C)=N1 HR133885 [2,0,0,0,0,0|0,0,2]=4 30 B7R1.4 CC1=C(C)SC=N1 HR135526 [2,0,0,0,0,0|0,0,2]=4 31 B7R1.4 CC1SCCC1=O HR124610 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.7 CNCC1=NC(C)=CS1 HR102831 [1,1,0,0,0,0|0,0,2]=4 33 B9R1.35 CC1=CSC(C(C)C)=N1 HR138124 [1,1,0,0,0,0|0,0,2]=4 34 B9R1.36 CC1SC(C)(C)OC1=O HR110633 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.226 CCC(C)C1N=C(C)C(C)S1 HR122194 [0,2,0,0,0,0|0,0,0]=2 36 B11R1.80 CC1=C(C)SC(CC(C)C)=N1 HR123320 [0,2,0,0,0,0|0,0,2]=4 37 B11R1.80 CC1=NC(CC(C)C)SC1C HR144812 [0,2,0,0,0,0|0,0,0]=2 38 B9R1.6 CC(=O)C1CCCCC1 HR132742 [0,0,1,1,0,0|2,0,0]=4 39 B9R1.6 CC(=O)C1CCCCN1 HR114158 [0,0,1,1,0,0|2,0,0]=4 40 B9R2.7 O=C1NC2CCCC12 HR101686 [0,0,0,1,1,0|1,0,1]=4 41 B7R0.10 CCC(S)C(C)C=O HR125292 [0,0,1,0,1,0|2,0,0]=4 42 B7R0.10 CCC(S)C(C)CO HR125550 [0,0,1,0,1,0|1,0,1]=4 43 B9R0.24 CCC(C)SSC(C)CC HR136004 [0,0,1,0,0,1|1,0,1]=4 44 B9R1.34 CC1NC(C)SC(C)S1 HR124837 [1,0,0,0,0,1|0,0,2]=4 45 B9R1.34 CC1NC(C)SC(C)S1 HR128997 [1,0,0,0,0,1|0,0,2]=4