0 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.509 CS(=O)(=O)OC1=CN=CC=C1 PH009192 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,0|2,1,0]=4 6 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|1,1,1]=4 7 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)N PH008060 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.106 NS(=O)(=O)OC1=CC=C(C=C1)Cl PH008055 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.106 O=P(O)(O)CC1=CC=C(C=C1)I PH006094 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.119 CC1=CC(=CC=C1)OS(=O)(=O)N PH008063 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.119 NS(=O)(=O)OC1=CC=CC(=C1)Cl PH008056 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O PH011415 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.564 NC(C1=CC=CC=C1)S(=O)(=O)O PH008647 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.564 O=P(O)(O)C(O)C1=CC=CC=C1 PH010920 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.564 O=P([O-])([O-])C(O)C1=CC=CC=C1 S602604 [0,1,0,0,0,0|1,0,2]=4 16 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,0,0,0,1,0|2,1,0]=4 17 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,0,0,0,1,0|0,0,2]=3 18 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,0,0,0,1,0|1,0,2]=4 19 B10R1.28 O[B-](O)(O)C1=CN=CC=C1 BCH00013 [0,0,0,0,1,0|2,0,1]=4 20 B10R1.28 S=P(Cl)(Cl)C1=CC=CC=C1 CDS000508 [0,0,0,0,1,0|2,1,0]=4 21 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [0,0,0,0,0,1|2,0,1]=4 22 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.891 O=P(O)(O)/C=C/C1=CC=CC=C1 PH002029 [0,0,0,0,0,1|1,0,0]=2 24 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,0,0,0,0,1|1,0,0]=2 25 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,0,0,0,0,0|1,1,0]=4 26 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,1,0,0,1,0|1,0,1]=4 39 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,1,0,0,1,0|1,0,1]=4 40 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,1,0,0,1,0|1,0,1]=4 41 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,1,0,0,1,0|1,0,1]=4 42 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,1,0,0,1,0|1,0,1]=4 43 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,1,0,0,1,0|1,0,1]=4 44 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,1,0,0,1,0|1,0,1]=4 45 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,1,0,0,1,0|1,0,1]=4 47 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,1,0,0,1,0|1,0,1]=4 49 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,1,0,0,1,0|1,0,1]=4 53 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,1,0,0,1,0|1,0,1]=4 54 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,1,0,0,1,0|1,0,1]=4 55 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,1,0,0,1,0|1,0,1]=4 56 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,1,0,0,1,0|1,0,1]=4 57 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,1,0,0,1,0|1,0,1]=4 58 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,1,0,0,1,0|1,0,1]=4 59 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,1,0,0,1,0|1,0,1]=4 60 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,1,0,0,1,0|0,0,0]=2 61 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,1,0,0,1,0|0,0,0]=2 62 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,1,0,0,1,0|1,0,1]=4 63 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [0,1,0,0,1,0|0,0,0]=2 64 B13R1.352 O=P(O)(O)/C=C(\Cl)/C1=CC=CC=C1 S996831 [0,1,0,0,0,1|1,0,0]=3 65 B13R1.4 COC1=CC=C(C=C1)CP(=O)(O)O PH002859 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.622 COC1=CC=CC=C1CP(=O)(O)O PH007829 [0,2,0,0,0,0|1,0,0]=3 67 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [1,0,0,1,0,0|1,0,1]=4 68 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,1,0,0|1,1,0]=4 69 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,1,0|2,0,0]=4 70 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,1,0|2,0,0]=4 71 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,1,0|1,0,1]=4 72 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,1,0|1,0,0]=3 73 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,1,0|2,0,0]=4 75 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,1|2,0,0]=4 76 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,1|1,0,1]=4 77 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,1|0,0,0]=2 78 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [1,0,0,0,0,1|1,0,0]=3 79 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [3,0,0,0,0,0|0,1,0]=4 80 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,1,0|1,0,0]=4 81 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,1,0|1,0,0]=4 82 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,1,0|1,0,0]=4 83 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,1,0|1,0,0]=4 84 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,1,0|1,0,0]=4 85 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [1,1,0,0,0,1|1,0,0]=4 86 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,1,0,0,0,1|1,0,0]=4 87 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [1,2,0,0,0,0|1,0,0]=4 88 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [0,2,0,0,1,0|0,0,0]=3 89 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [0,2,0,0,1,0|0,0,0]=3 90 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,2,0,0,1,0|0,0,0]=3 91 B12R1.76 COC1=CC=CC=C1P(=O)(O)O S915688 [0,2,0,0,1,0|0,0,0]=3 92 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,2,0,0,1,0|0,0,0]=3 93 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,2,0,0,1,0|0,0,0]=3 94 B12R1.228 CC1=C(C(=CC=C1)P(=O)(O)O)C S915785 [0,2,0,0,1,0|0,0,0]=3 95 B12R1.102 CC1=CC(=CC(=C1)P(=O)(O)O)C S915963 [0,2,0,0,1,0|0,0,0]=3 96 B14R1.2928 COP(=O)(NNC1=CC=CC=C1)OC PH009226 [0,2,0,0,0,1|1,0,0]=4 97 B14R1.3634 COP(=O)(OC)SC1=CC=C(C=C1)Cl PH003720 [0,3,0,0,0,0|0,1,0]=4 98 B14R1.3634 COP(=S)(OC)OC1=CC=C(C=C1)Cl PH005353 [0,3,0,0,0,0|0,1,0]=4 99 B14R1.6037 O=P(O)(O)OC1=CC(=C(C=C1Cl)Cl)Cl PH005984 [0,3,0,0,0,0|0,0,0]=3 100 B14R1.2947 COP(=S)(OC)OC1=CC=CC=C1Cl PH005352 [0,3,0,0,0,0|0,1,0]=4 101 B14R1.3646 O=P(O)(O)C(O)(CO)C1=CC=CC=C1 PH007090 [0,3,0,0,0,0|1,0,0]=4 102 B14R2.286 O=P(O)(O)C1C=CC2=C1C=CC=C2 L496235 [0,0,0,1,0,2|1,0,0]=4