0 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.21 CC1=CC=C(C=C1)SC[N+](=O)[O-] Z2026405117 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.21 O=[N+]([O-])/C=C/C1=CC=C(C=C1)Cl Z208331660 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.226 O=[N+]([O-])/C=C/C1=CC(=CC=C1)I Z56757676 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.18 C/[N+](=C/C1=CC=NC=C1)/[O-] Z57107897 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [0,0,0,0,1,0|2,0,1]=4 41 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [0,0,0,0,1,0|1,0,0]=2 42 B10R1.66 O=[N+]([O-])/C=C/C1=CC=CO1 Z199438876 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.66 O=[N+]([O-])CCC1=CSC=C1 Z1688405404 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,0,1|3,0,0]=4 45 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Br)/[O-] Z57107891 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Cl)/[O-] Z57107890 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.86 O=[N+]([O-])CC1=C(C=CC=C1)F Z2182028452 [0,1,0,0,1,0|1,0,0]=3 55 B11R1.157 O=[N+]([O-])CC1=CC(=CC=C1)F Z2181775549 [0,1,0,0,1,0|1,0,0]=3 56 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 Z1255360895 [0,1,0,0,1,0|1,0,1]=4 57 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 Z3206129658 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.348 O=C(CC1=CC=CC=C1)C[N+](=O)[O-] Z57032633 [0,1,0,0,0,1|2,0,0]=4 59 B13R1.3 COC1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56755542 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.164 O=[N+]([O-])/C=C/C1=C(C=C(C=C1)F)F Z838174058 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.164 O=[N+]([O-])CCC1=C(C=C(C=C1)F)F Z3024469289 [0,2,0,0,0,0|2,0,0]=4 62 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [1,0,0,1,0,0|2,0,0]=4 63 B11R2.10 O=C1NC2=C(O1)C=CC=C2 Z56854468 [0,0,0,1,1,0|2,0,0]=4 64 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,0,1|2,0,0]=4 65 B13R2.435 O=[N+]([O-])C1=CC2=C(N1)C=CC=C2 Z1255396542 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [0,0,0,0,2,0|2,0,0]=4 67 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [0,0,0,0,2,0|1,0,1]=4 68 B9R1.6 O=[N+]([O-])C1=NC=CC=C1 Z361899950 [0,0,0,0,2,0|1,0,0]=3 69 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [0,0,0,0,2,0|1,0,1]=4