0 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 A46421 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.11 N#CCC(=O)C1=CC=CO1 F68571 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.11 N#CCC(=O)C1=CC=CS1 T12473 [1,0,0,0,0,0|1,1,1]=4 7 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [1,0,0,0,0,0|1,1,1]=4 9 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [1,0,0,0,0,0|1,1,1]=4 12 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [1,0,0,0,0,0|1,1,1]=4 14 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 N4996 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 M49114 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.265 CC(C)(C)NC(=O)C1=CC=CO1 B50363 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.246 CC1=NC2=C(SC=C2)C(=O)N1 M67221 [0,0,0,1,0,0|2,1,0]=4 18 B12R2.246 CC1=NN2C=CC=C2C(=O)N1 M15158 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.246 O=C1CC(=O)N2N=CC=C2N1 P42483 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.246 O=C1NC(=O)C2=C(C=CN2)N1 P42485 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.246 O=C1NC(=O)C2=C(C=CS2)N1 T3716 [0,0,0,1,0,0|2,1,0]=4 22 B12R2.246 O=C1NC(=O)C2=CC=CN2N1 P1352 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.246 O=C1NC2=C(SC=C2)C(=O)O1 T62932 [0,0,0,1,0,0|2,1,0]=4 24 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,0,0,0,1,0|1,0,0]=2 25 B12R1.54 CN(C)C=CC(=O)C1=CC=CO1 D50079 [0,0,0,0,0,1|2,0,1]=4 26 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 D52186 [0,0,0,0,0,1|2,1,0]=4 27 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 T49110 [0,0,0,0,0,1|1,1,0]=3 28 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,0,0,0,0,1|1,0,0]=2 30 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,0,0,0,0,1|2,0,0]=3 31 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [1,0,1,0,0,0|0,0,1]=3 32 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [2,0,0,0,0,0|1,1,0]=4 33 B9R1.11 COC(=O)C1=CC=CN1 M11015 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.11 COC(=O)C1=CC=CO1 M39270 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.11 COC(=O)C1=CC=CS1 M42941 [2,0,0,0,0,0|1,1,0]=4 36 B9R1.11 COC(=O)C1=CN=CO1 M40997 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.11 COC(=O)C1=NC=CO1 M40998 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [2,0,0,0,0,0|1,1,0]=4 40 B9R1.12 O=CC=CC1=CC=CO1 F45509 [2,0,0,0,0,0|0,0,1]=3 41 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [2,0,0,0,0,0|0,0,1]=3 42 B11R1.15 CCOC(=O)C1=CC=C(Br)O1 E45937 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.29 CNCCC(=O)C1=CC=CS1 M49532 [1,1,0,0,0,0|0,1,1]=4 44 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,1,0,0,0,1|1,0,0]=3 48 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 M51823 [0,1,0,0,0,1|1,0,0]=3 49 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 M51824 [0,1,0,0,0,1|1,0,0]=3 50 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,1,0,0,0,1|1,0,0]=3 51 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,1,0,0,0,1|1,0,0]=3 52 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 M62452 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 E50098 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 E12821 [0,2,0,0,0,0|0,1,0]=3 55 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 E49940 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O B24263 [0,0,1,1,0,0|1,0,1]=4 57 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O C48601 [0,0,1,1,0,0|1,0,1]=4 58 B11R1.156 CC(=O)C1=C(F)C=CC=C1O F48624 [0,0,1,1,0,0|1,0,1]=4 59 B11R1.156 CC(=O)C1=C(O)C=CC=C1C H49900 [0,0,1,1,0,0|1,0,1]=4 60 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,0,1,1,0,0|2,0,0]=4 61 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,0,1,1,0,0|2,0,0]=4 62 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,0,1,1,0,0|2,0,0]=4 63 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,0,1,1,0,0|2,0,0]=4 64 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,0,1,1,0,0|2,0,0]=4 65 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,0,1,1,0,0|2,0,0]=4 66 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,0,1,1,0,0|2,0,0]=4 67 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,0,1,1,0,0|2,0,0]=4 68 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 H49901 [0,0,1,1,0,0|1,0,1]=4 69 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 A61143 [0,0,1,1,0,0|1,0,1]=4 70 B11R2.106 O=C1NC=CC2=C1OC=C2 F4977 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,0,0,1,0,1|2,0,0]=4 72 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,0,0,1,0,1|2,0,0]=4 73 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,1,0,1|2,0,0]=4 74 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [1,0,0,0,1,0|1,1,0]=4 75 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [1,0,0,0,1,0|1,0,0]=3 76 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [1,0,0,0,1,0|1,1,0]=4 77 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [1,0,0,0,0,1|1,0,1]=4 78 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [1,0,0,0,0,1|1,0,1]=4 79 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [1,0,0,0,0,1|1,0,1]=4 80 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,1|1,0,1]=4 81 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,0,0,1,1|1,0,0]=3 82 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,0,0,0,0,2|2,0,0]=4