0 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.32 CCOC(=O)CC1=NN=CC=C1 P11834 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.32 CCOC(=O)NC1=NC=CC=C1 D96330 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31003 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.49 COC(=O)CC1=CN=C(Br)C=N1 P17446 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.49 COC(=O)CC1=CN=C(Cl)N=C1 P19981 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.49 COC(=O)CC1=NC=C(O)C=N1 72519 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.50 COC(=O)CC1=CC(=O)NC=N1 Y14774 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,1,0,0|3,0,0]=4 17 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,0,0,0,0,1|1,0,1]=3 18 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|1,1,0]=4 19 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [1,1,0,0,0,0|1,0,1]=4 20 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 AB22208 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.20 O=C(O)CC1=CN=C(Cl)N=C1 D76258 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [1,1,0,0,0,0|0,0,2]=4 25 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [1,1,0,0,0,0|0,0,2]=4 26 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [1,1,0,0,0,0|0,0,2]=4 27 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [1,1,0,0,0,0|0,0,2]=4 28 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.222 COC(=O)C1=C(C)C=NN=C1 38774 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.39 COC(=O)CC1=CN=C(Cl)S1 C72666 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.14 COC(=O)\C=C\C1=CN=C(N)C=C1 Y11004 [0,1,0,0,0,1|1,0,1]=4 40 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 D72702 [0,1,0,0,0,1|1,0,0]=3 41 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y13865 [0,1,0,0,0,1|1,0,0]=3 42 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y14153 [0,1,0,0,0,1|1,0,0]=3 43 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 P15081 [0,2,0,0,0,0|2,0,0]=4 44 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 64181 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.22 COC(=O)[C@H](N)C1=CC=CC(Br)=C1 Y14031 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.696 COC(=O)[C@H](N)C1=C(O)C=CC=C1 Y13270 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.2679 COC(=O)CC1=NC=C(Br)C=C1F P19867 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.2879 COC(=O)CC1=CC(Br)=C(C)C=N1 AC4838 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.2879 COC(=O)CC1=NN=C(Cl)C(C)=C1 P13571 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.2872 COC(=O)CC1=C(Br)C=CC(Cl)=N1 P19264 [0,2,0,0,0,0|1,0,0]=3 51 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,1]=4 52 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|1,0,1]=4 53 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,1|1,0,0]=3 54 B13R2.33 O=C1CNC2=C(C=CC=N2)CN1 AT20015 [0,0,0,1,0,1|2,0,0]=4 55 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,0,0,1,0,1|0,0,1]=3 56 B13R2.15 OC1COCC1C2=CC=CC=C2 90595 [0,1,0,1,0,0|0,0,2]=4 57 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.221 NC1(CC2=CC=CC=C2)COC1 38013 [0,1,0,1,0,0|1,0,1]=4 59 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Y14016 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 37033 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 79273 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.5179 CC1=CC=CC2=C1CCC(=O)C2 H10281 [0,1,0,1,0,0|1,0,0]=3 63 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 Y11718 [0,1,0,1,0,0|1,0,0]=3 64 B13R2.4825 CN1C(=O)CC2=C(Br)C=CN=C21 P19678 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.13 O=C(O)CC1=CN=CO1 AC2863 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.13 O=C(O)CC1=COC=C1 D96340 [1,0,0,0,1,0|1,0,0]=3