0 B10R1.473 C=C[C@]1(CC=C(CC1)C)C CNP0518793.1 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.473 CCC1(CNC(=CO1)O)C CNP0105405.0 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.473 CCC1(CNC(=O)CO1)C CNP0130864.0 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.473 CC[C@]1(CNC(=O)CO1)C CNP0130864.1 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,0,0,0,0,0|0,0,2]=3 8 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.220 CC(=O)[C@@]1(CC=C(CC1)C)C CNP0198541.2 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.220 CC(=O)[C@]1(CC=C(CC1)C)C CNP0198541.1 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.220 CC1=CC[C@@](CC1)(C)C(C)C CNP0383820.1 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.220 CC1=CC[C@@](CC1)(O)C(C)C CNP0224794.2 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.220 CC1=CC[C@](CC1)(O)C(C)C CNP0224794.1 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1048 CC1=CCC(CC1)(CO)CO CNP0362207.0 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,0,1,0,0,0|3,0,0]=4 20 B9R1.125 CC1C=NC(C1)(O)CO CNP0523246.0 [0,0,0,0,1,0|2,0,1]=4 21 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [0,0,0,0,1,0|2,0,1]=4 25 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,0,1,0,0,0|2,0,0]=4 26 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,0,1,0,0,0|2,0,0]=4 28 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [1,0,1,0,0,0|1,0,1]=4 30 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,0,1,0,0,0|2,0,0]=4 31 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|0,0,2]=4 32 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [2,0,0,0,0,0|0,0,2]=4 33 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|0,0,2]=4 35 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [1,1,0,0,0,0|0,0,2]=4 37 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,1,0,0,0,0|0,0,2]=4 42 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|0,0,2]=4 43 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.63 CC1=C[C@H](C(CC1)(C)C)O CNP0097325.1 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.147 CC1=NCC(N=C1C)(C)C CNP0549187.0 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.3824 COC1(CC=C(CC1)C)C(C)C CNP0582010.0 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,0,1,1,0,0|2,0,0]=4 49 B8R0.34 C=C(C)CC(C)(C)CO CNP0600744.0 [0,0,1,0,1,0|2,0,0]=4 50 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,0,1,0,1,0|2,0,0]=4 51 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,0,0,0,1,0|0,0,2]=4 52 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,0,0,0,1,0|1,0,1]=4 53 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [1,0,0,0,1,0|1,0,1]=4 54 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [1,0,0,0,1,0|1,0,1]=4 55 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [1,0,0,0,1,0|1,0,1]=4 56 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [1,0,0,0,1,0|1,0,0]=3 59 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [1,0,0,0,1,0|2,0,0]=4 60 B10R0.65 C=C(C)CCCC(C)(O)CC CNP0076879.0 [0,0,1,0,0,1|2,0,0]=4