0 B9R1.6 CC(=O)C1=CC=NC=C1 4H17-1-Y2 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(=O)C1=CN=CC=N1 4H56-1-K0 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.6 CC(=O)C1=CN=CN=C1 4H17-1-X0 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 O=C(O)C1=CCCCC1 2421-1-0A [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 O=C(O)C1=COCCC1 2H21-1-36 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,0,0,0,0,0|2,0,2]=4 11 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [0,0,0,0,0,0|1,1,2]=4 13 B8R1.2 CSC1=NCCCN1 7H66-H-X0 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [1,0,0,0,0,0|1,1,0]=3 15 B10R1.15 COC(=O)C1=CCCCC1 2423-1-00 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.8 C=C(C)C(=O)NCCO 4348-1-01 [0,0,1,0,0,0|2,1,0]=4 17 B8R1.7 CC(=O)C1=CC=CN1 4H17-1-Z4 [0,0,0,0,1,0|0,0,2]=3 18 B8R1.7 CC(=O)C1=CC=CO1 2H17-1-X1 [0,0,0,0,1,0|1,0,2]=4 19 B8R1.7 CC(=O)C1=CC=CS1 6H66-1-X9 [0,0,0,0,1,0|1,0,2]=4 20 B8R1.7 CC(=O)C1=CC=NN1 4H17-5-X2 [0,0,0,0,1,0|1,0,1]=3 21 B8R1.7 CC(=O)C1=CNC=C1 4H17-1-65 [0,0,0,0,1,0|1,0,2]=4 22 B8R1.7 CC(=O)C1=CSC=C1 6H17-1-X0 [0,0,0,0,1,0|0,0,2]=3 23 B8R1.7 NC(=O)C1=CC=CN1 4H48-1-5L [0,0,0,0,1,0|1,0,2]=4 24 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,0,0,0,1,0|1,0,2]=4 25 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,0,0,0,1,0|1,0,2]=4 26 B8R1.7 O=C(Cl)C1=CSC=N1 6H16-D-X3 [0,0,0,0,1,0|1,0,2]=4 27 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [0,0,0,0,1,0|1,0,2]=4 28 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [0,0,0,0,1,0|2,0,0]=3 29 B8R1.7 O=C(O)C1=CN=CN1 P612-A-11 [0,0,0,0,1,0|2,0,1]=4 30 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [0,0,0,0,1,0|1,1,0]=3 31 B8R1.7 O=C(O)C1=CSC=C1 6H21-1-Y7 [0,0,0,0,1,0|1,0,2]=4 32 B8R1.7 O=C(O)C1=CSC=N1 8H21-1-Z8 [0,0,0,0,1,0|1,0,2]=4 33 B8R1.7 O=C(O)C1=CSN=N1 8H21-1-08 [0,0,0,0,1,0|2,0,1]=4 34 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [0,0,0,0,1,0|1,0,1]=3 35 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,0,0,0,1,0|1,0,2]=4 36 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,0,0,0,1,0|1,0,2]=4 37 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [1,0,1,0,0,0|1,1,0]=4 39 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [1,0,1,0,0,0|1,1,0]=4 40 B7R1.3 CC1=CCCCC1 1400-1-04 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.3 O=C1C=CCCC1 2417-1-X1 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.3 O=C1C=CCCO1 2H25-1-78 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.3 O=C1CCCCN1 4H48-1-1L [2,0,0,0,0,0|1,0,1]=4 44 B7R1.3 O=C1CCCSC1 6H66-1-40 [2,0,0,0,0,0|1,0,1]=4 45 B7R1.3 O=C1CNCCN1 4H48-1-W4 [2,0,0,0,0,0|1,0,1]=4 46 B7R1.3 O=C1COCCN1 4H58-1-05 [2,0,0,0,0,0|0,1,1]=4 47 B9R1.11 COC(=O)C1=CC=CN1 4H23-1-P5 [0,1,0,0,1,0|0,0,2]=4 48 B9R1.11 COC(=O)C1=CCCC1 2423-1-04 [0,1,0,0,1,0|1,0,0]=3 49 B9R1.11 COC(=O)C1=CSC=N1 8H70-1-N4 [0,1,0,0,1,0|0,0,2]=4 50 B9R1.11 COC(=O)C1CCCN1 4H23-5-03 [0,1,0,0,1,0|0,0,2]=4 51 B9R1.11 COC(=O)C1NCCS1 8H23-5-05 [0,1,0,0,1,0|0,0,1]=3 52 B9R1.11 COC(=O)[C@@H]1CCCN1 4H58-5-X8 [0,1,0,0,1,0|0,0,2]=4 53 B9R1.11 COC(=O)[C@H]1CCCN1 4H56-5-R5 [0,1,0,0,1,0|0,0,2]=4 54 B9R1.11 O=C(CBr)C1=CSC=C1 6H66-9-X3 [0,1,0,0,1,0|0,0,2]=4 55 B9R1.35 CC(=O)C1=CSC(Cl)=C1 6H17-5-01 [0,1,0,0,1,0|0,0,2]=4 56 B9R1.41 CC(=O)C1=CC=CN1C 4H17-1-20 [0,1,0,0,1,0|0,0,2]=4 57 B9R1.23 CCN1C=C(N)C(C)=N1 3H30-5-W6 [0,0,1,1,0,0|2,0,0]=4 58 B7R1.1 O=CC1=CC=CN1 4H15-1-L9 [1,0,0,0,1,0|0,0,2]=4 59 B7R1.1 O=CC1=CSC=C1 6H15-1-X1 [1,0,0,0,1,0|0,0,2]=4 60 B7R1.1 O=CC1=CSC=N1 8H15-1-04 [1,0,0,0,1,0|0,0,2]=4 61 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [0,0,0,0,2,0|1,0,1]=4