0 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.61 CC1=C(C=CC=N1)B(O)O BML00230 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 CC1=C(C=NC=C1)B(O)O BML00295 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 CC1=C(C=NC=C1)B(O)O CDS003860 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.61 CC1=NC=CC=C1B(O)O CDS019614 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,0,0,0,0,0|0,0,0]=0 27 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,0,0,0,0,0|0,0,0]=0 28 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,0,0,0,0,0|0,0,1]=1 32 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,0,0,0,0,0|1,0,2]=3 33 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,0,0,0,0,0|1,1,1]=3 34 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.61 OB(O)C1=C(C=NC=C1)F CDS007991 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,0,0,0,0,0|1,0,1]=2 37 B10R1.61 OB(O)C1=CN=CC=C1Cl CDS023251 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,0,0,0,0,0|0,2,0]=2 39 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|1,1,1]=4 40 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|0,0,2]=3 50 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|0,0,1]=2 51 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,0,0,0,0|0,0,1]=2 55 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.15 OCC1=CC=CC=N1O S459240 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|1,0,1]=3 75 B11R1.53 C#CC1=CC=CC=C1B(O)O CDS023328 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.53 COC1=CN=CC=C1B(O)O CDS022391 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [0,1,0,0,0,0|1,1,1]=4 91 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.87 CC1=CN=CC=C1S(=O)(=O)O PH015097 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.156 NC(=S)C1=C(C=CC=C1F)F OTV000289 [0,1,0,0,0,0|2,1,0]=4 108 B11R1.156 NC1=C(C(=CC=C1)F)[N+](=O)[O-] CDS011868 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,1,0,0,0,0|0,0,1]=2 114 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.156 O=[N+]([O-])C1=C(C=CN=C1O)O R436798 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.156 OB(O)C1=C(C=CC=C1Cl)Cl CDS003181 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.159 CC1=C(C=CC=C1B(O)O)Cl CDS006288 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.159 O=C(O)C1=NC=NC(=C1Cl)Cl CDS021401 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Br)O ADE000723 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Cl)O ADE000441 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)I)O ADE000440 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.159 OB(O)C1=CC=CC(=C1Cl)F CDS011895 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.159 OB(O)C1=CC=CC(=C1F)O CDS022372 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,1,0,0,0,0|2,1,0]=4 167 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,1,0,0,0,0|2,1,0]=4 168 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,0,0|0,0,1]=2 173 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.166 OB(O)C1=CC=C(C=C1F)Br SYX00006 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.167 CC1=NNC(=O)C(=C1)C(=O)O CDS005993 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,1,0,0,0,0|1,1,0]=3 209 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.167 OB(O)C1=CC(=CC=C1Br)F BML00168 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.167 OB(O)C1=CC(=CC=C1F)O CDS023639 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.222 CC1=C(N=CC=C1)/C(=N/O)/N BOG00017 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,0|1,1,0]=3 236 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,0,0|2,1,0]=4 238 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,0,0,0,0|2,0,0]=3 251 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,0,1,0,0,0|1,0,0]=2 252 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,0,1,0,0,0|1,0,2]=4 253 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|2,0,0]=3 257 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|2,1,0]=4 258 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|2,1,0]=4 259 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|3,0,0]=4 260 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|2,0,0]=3 261 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|2,0,0]=3 264 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|1,0,0]=2 265 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,1,0]=4 266 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,0,0,0,1,0|3,0,0]=4 267 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,0,0,0,1,0|2,0,0]=3 271 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,0,0,0,1,0|3,0,0]=4 272 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,0,0,0,1,0|3,0,0]=4 273 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,0,0,0,1,0|3,0,0]=4 274 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,0,0,0,1,0|3,0,0]=4 275 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,0,0,0,1,0|3,0,0]=4 276 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,0,0,0,1,0|3,0,0]=4 277 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,0,0,0,1,0|2,0,0]=3 281 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,0,0,0,1,0|2,0,0]=3 282 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,0,0,0,1,0|2,0,0]=3 283 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,0,0,0,1,0|3,0,0]=4 284 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,0,0,0,0,1|2,0,1]=4 285 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,0,0,0,0,1|3,0,0]=4 286 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,0,0,0,0,1|2,0,0]=3 287 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,0,0,0,0,1|3,0,0]=4 288 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,0,0,0,0,1|3,0,0]=4 289 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,0,0,0,0,1|2,0,0]=3 290 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,0,0,0,0,1|2,0,0]=3 291 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,0,0,0,0,1|2,0,0]=3 292 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,0,0,0,0,1|2,0,0]=3 293 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,0,0,0,0,1|3,0,0]=4 294 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,0,0,0,0,1|2,0,0]=3 296 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,0,0,0,0,1|2,0,1]=4 297 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,0,0,0,0,1|2,0,0]=3 298 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,0,0,0,0,1|2,0,0]=3 299 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,0,0,0,0,1|3,0,0]=4 300 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,0,0,0,0,1|3,0,0]=4 301 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,0,0,0,0,1|2,0,0]=3 302 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,0,0,0,0,1|2,0,0]=3 303 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,0,0,0,0,1|2,0,0]=3 304 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,0,0,0,0,1|1,0,0]=2 305 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,0,0,0,0,1|2,0,0]=3 306 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,0,0,0,0,1|2,0,0]=3 307 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,0,0,0,0,1|2,0,0]=3 309 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,0,0,0,0,1|1,0,0]=2 310 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,0,0,0,0,1|1,0,1]=3 311 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [0,0,0,0,0,1|2,0,1]=4 312 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [1,0,1,0,0,0|0,0,2]=4 313 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,0]=3 317 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,1,0]=4 324 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.5 O=C1C=CC=CN1[K] T160997 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.5 O=C1NC=CC=C1Cl T161063 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|2,0,0]=4 334 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [0,1,1,0,0,0|2,0,0]=4 335 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,1,0,0,0,0|0,0,2]=4 345 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 354 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|0,1,0]=3 372 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|0,0,1]=3 379 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|1,1,0]=4 386 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.20 COC1=CC=CC=C1NN S264407 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.20 CSC1=CC=CC=C1CO PH002490 [1,1,0,0,0,0|0,1,1]=4 441 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [1,1,0,0,0,0|0,1,0]=3 442 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|0,0,1]=3 479 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.245 C(=O)C1=C(C=NC=C1F)F CDS009040 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [0,1,0,0,1,0|1,0,0]=3 488 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,1,0,0,1,0|2,0,0]=4 492 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.192 CC1=CNC(=C1C(=O)O)C CDS005420 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,1,0|2,0,0]=4 495 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,1,0,0,0,1|1,0,1]=4 496 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,1,0,0,0,1|1,0,0]=3 502 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,1,0,0,0,1|1,0,0]=3 503 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,1,0,0,0,1|1,1,0]=4 504 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,1,0,0,0,1|0,1,0]=3 505 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,0,1|1,0,0]=3 508 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,0,1|1,0,0]=3 509 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.127 N=C(N)SC1=C(C=CC(=C1)O)O PH012138 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.151 CS(=O)(=O)NC1=CC=CC=C1O T312002 [0,1,0,0,0,1|1,0,1]=4 517 B12R1.151 O=S(=O)([O-])CC1=CC=CC=C1O S775932 [0,1,0,0,0,1|1,0,1]=4 518 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O ADE000683 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.224 CC(=O)NC1=C(C(=NC=C1)I)O ADE000680 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.224 CC1=CC=CN(C1=O)CC(=O)O OTV000690 [0,1,0,0,0,1|1,0,1]=4 523 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.224 NC1=CC=CN(C1=O)CC(=O)O PH018006 [0,1,0,0,0,1|1,0,1]=4 525 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,1,0,0,0,1|2,0,0]=4 533 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,0,1|0,0,0]=2 541 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.233 NC1=NC=C(C(=N1)O)CC(=O)O CDS016798 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.233 O=C(O)CC1=C(C=C(C=N1)Cl)F CDS023951 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,1|1,0,0]=3 555 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,1|1,0,0]=3 556 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,0,1|1,0,0]=3 559 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,1|1,0,0]=3 563 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.371 O=C(CCl)NC1=C(C=CN=C1)O ADE000690 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.371 O=C(CCl)NC1=CC=CN=C1O ADE000691 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,1|1,0,0]=3 570 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.1009 CC1=CC=CC(=O)N1CC(=O)O PH018003 [0,1,0,0,0,1|1,0,1]=4 575 B12R1.1009 CC1=CC=CC(=[N+]1CC(=O)O)C S243116 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.46 COC1=CC=C(C=C1[N+](=O)[O-])Cl S426830 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.46 COC1=NC=C(C=C1C(=O)O)Cl ADE000181 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.46 COC1=NC=C(C=C1C(=O)O)F CDS015927 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|1,1,0]=4 589 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br L255521 [0,2,0,0,0,0|0,1,0]=3 590 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl L255505 [0,2,0,0,0,0|0,1,0]=3 591 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,2,0,0,0,0|0,0,1]=3 592 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,2,0,0,0,0|0,0,1]=3 593 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)C PH011701 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.76 COC1=CC=CC=C1P(=O)(O)O S915688 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.76 COC1=CC=CC=C1S(=O)(=O)Cl CDS007595 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.76 COC1=CC=CC=C1S(=O)(=O)O PH017869 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [0,2,0,0,0,0|0,0,1]=3 604 B12R1.77 COC(=O)C1=C(C=CC=C1)SC PH011017 [0,2,0,0,0,0|0,1,0]=3 605 B12R1.77 COC(=O)C1=CC=CC=C1C#N S445398 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.77 COC1=CC=CC=C1/C(=N/O)/N PH011002 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.77 COC1=CC=CC=C1/C(=N\O)/C S681385 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.87 COC1=C(C=CC=C1B(O)O)C CDS022393 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.87 COC1=C(C=CC=C1B(O)O)F CDS006453 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.87 COC1=C(C=CC=C1Cl)[N+](=O)[O-] S461369 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CDS021442 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.261 CS(=O)C1=C(C=CC=C1)B(O)O CDS021923 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O CDS006024 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O CDS004617 [0,2,0,0,0,0|0,0,0]=2 621 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CDS017971 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,2,0,0,0,0|0,0,1]=3 627 B12R1.437 COC1=C(C(=CC=C1)Br)C(=O)O CDS021573 [0,2,0,0,0,0|0,0,0]=2 628 B12R1.437 COC1=CC=CC(=C1C(=O)O)C CBR02263 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.437 COC1=CC=CC(=C1C(=O)O)Cl CDS020805 [0,2,0,0,0,0|0,0,0]=2 630 B12R1.437 COC1=CC=CC(=C1[N+](=O)[O-])F CDS011869 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.437 COC1=CN=CC(=C1C(=O)O)N ADE000470 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.126 NC1=CC(=C(C=C1)S(=O)(=O)O)N R397156 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)Cl)Cl PH014379 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)F)F PH015778 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.126 O=S(=O)(O)C1=CC=C(C=C1F)F PH018105 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)O)C S563609 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)Cl S419346 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)O S357820 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.128 O=S(=O)(O)C1=C(C=CC(=C1)F)F PH014475 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1F)F PH018138 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.228 CC1=C(C(=CC=C1)P(=O)(O)O)C S915785 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.228 CC1=CC=CC(=C1C)S(=O)(=O)O PH014377 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.228 O=S(=O)(O)C1=C(C(=CC=C1)Cl)Cl PH014378 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.1010 CC1=CC=CC(=C1S(=O)(=O)O)C PH016042 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.1010 NC1=CC=CC(=C1S(=O)(=O)O)O S554294 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.1010 O=S(=O)(O)C1=C(C=CC=C1Cl)Cl PH015705 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.894 CC(=O)C1=C(C(=CC=C1F)Cl)F PH015556 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O PH008017 [0,2,0,0,0,0|0,0,0]=2 655 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.894 CC1=C(C=CC(=C1[N+](=O)[O-])O)Br PH008038 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.894 NC(=O)C1=C(C(=CC=C1F)F)F T340596 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.894 NC1=C(C(=CC=C1Cl)Cl)C(=O)O S17397 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.894 O=C(O)C1=C(C(=CC=C1Cl)Cl)Cl R169676 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [0,2,0,0,0,0|0,0,0]=2 662 B12R1.894 O=C(O)C1=C(C=CC(=C1O)F)F CDS022676 [0,2,0,0,0,0|0,0,0]=2 663 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.1000 CC1=CC(=C(C(=C1)C)S(=O)O)C S798894 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,2,0,0,0,0|0,0,0]=2 673 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)N)O R439762 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.1000 CC1=CC(=O)NC(=C1C(=O)O)C CBR01649 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S457507 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S946400 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,2,0,0,0,0|0,0,0]=2 681 B12R1.1000 O=C([O-])C1=C(C=C(C=C1O)O)O S504165 [0,2,0,0,0,0|0,0,1]=3 682 B12R1.3441 COC(=O)C1=C(C=CC=C1N)F CDS021736 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.3441 COC(=O)C1=C(C=CN=C1Cl)I ADE000251 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.3441 O=C(CBr)C1=C(C=CC=C1F)F PH016145 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.24 O=C(CBr)C1=CC=CC(=C1F)F PH014660 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.440 COC1=CC=CC(=C1O)B(O)O CDS006533 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.440 N=CC1=C(C(=CC=C1)C(=O)O)O S172464 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,2,0,0,0,0|0,0,0]=2 700 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,2,0,0,0,0|0,0,0]=2 701 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,2,0,0,0,0|1,0,1]=4 703 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.511 NC1=C(C(=CC(=C1)Cl)C(=O)[O-])Cl S434795 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.511 O=C(O)C1=CC(=CC(=C1F)F)F CDS002688 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.511 O=[N+]([O-])C1=C(C(=CC(=C1)Br)Br)O S415758 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.893 O=[N+]([O-])C1=C(C(=C(C=C1)Cl)Cl)O PH000483 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|0,0,0]=2 727 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|0,0,0]=2 728 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.452 CSC1=NC(=C(C=N1)C(=O)O)O JRD0446 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|0,0,0]=2 748 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)F ADE000416 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.354 N/N=C(\O)/C1=C(C=CC(=C1)F)O JRD1301 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.354 NC1=C(C=C(C=C1)Cl)/C(=N/O)/N PH015515 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.308 CC1=C(C=CC=C1)C(=O)NC#N R573671 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.308 CC1=CC=CC=C1C(=O)CC#N JRD0744 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.308 CCOC(=O)C1=C(N=NC=C1)O CDS021208 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1C R179035 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F PH005130 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,2,0,0,0,0|0,0,0]=2 804 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,1,0,0|2,0,0]=4 805 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [0,0,1,1,0,0|1,1,0]=4 806 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,0,1,1,0,0|0,0,1]=3 807 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,0,1,1,0,0|0,0,1]=3 808 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,0,1,1,0,0|0,0,1]=3 809 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,0,1,1,0,0|1,0,1]=4 810 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,0,1,1,0,0|0,0,2]=4 811 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 812 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|2,0,0]=4 813 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|2,0,0]=4 814 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|1,0,0]=3 815 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,1,0,1|2,0,0]=4 816 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,1,0,1|2,0,0]=4 817 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,1,0,1|2,0,0]=4 818 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,1|1,1,0]=4 819 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,0,1|1,0,0]=3 820 B12R2.202 NC1=NC2=C(C=CC=C2S1)O CDS003821 [0,0,0,1,0,1|1,1,0]=4 821 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,0,0,1,0,1|2,0,0]=4 823 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,0,0,1,0,1|1,1,0]=4 824 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,0,0,1,0,1|1,1,0]=4 825 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|1,1,0]=4 826 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,1,0,0|1,0,0]=3 830 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,1,0,0|0,1,0]=3 832 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|1,0,1]=4 834 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|0,1,1]=4 835 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|1,0,1]=4 836 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,1,0]=4 838 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [0,1,0,1,0,0|1,0,0]=3 840 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|1,0,0]=3 849 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|1,0,0]=3 852 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|1,1,0]=4 854 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,1,0,0|1,1,0]=4 857 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,1,0,0|1,0,1]=4 860 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|2,0,0]=4 861 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|2,0,0]=4 862 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|1,0,0]=3 863 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,1,0|2,0,0]=4 866 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,1,0|2,0,0]=4 867 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,1,0|2,0,0]=4 868 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,1,0|2,0,0]=4 869 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,1,0|2,0,0]=4 870 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|2,0,0]=4 871 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,1,0|2,0,0]=4 872 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,1,0|2,0,0]=4 873 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,0,0,0,0,2|2,0,0]=4 874 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,0,0,0,0,2|1,0,0]=3 875 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,0,0,0,0,2|2,0,0]=4 876 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,0,0,0,0,2|1,0,0]=3 877 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,0,0,0,0,2|2,0,0]=4 878 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,0,0,0,0,2|1,0,0]=3 879 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,0,0,0,0,2|1,0,0]=3 880 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,0,0,0,0,2|2,0,0]=4 881 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,0,0,0,0,2|1,0,0]=3 882 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,0,0,0,0,2|1,0,0]=3 883 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,0,0,0,0,2|1,0,0]=3 884 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,0,0,0,0,2|1,0,0]=3 885 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,0,0,0,0,2|1,0,0]=3