0 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S201537 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S985945 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,1,0,0,0,0|1,1,0]=3 75 B11R1.19 FC(F)(F)C1=CC=C(C=C1)S CDS007567 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47717 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47814 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.21 CC(C)C1=NC=C(C(=N1)Cl)F PH018925 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.21 FC1=C(C=C(C=C1)C(F)F)F MNO000096 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,0,0|2,0,1]=4 143 B11R2.34 NC1=CN=C(C=N1)C2CC2 CDS019080 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.35 CC(C)C1=CSC(=N1)N T322725 [0,0,0,0,1,0|2,0,0]=3 145 B9R1.35 CC(C)C1=NN=C(O1)N CBR01453 [0,0,0,0,1,0|3,0,0]=4 146 B9R1.35 CC(C)C1=NSC(=N1)N CDS004483 [0,0,0,0,1,0|3,0,0]=4 147 B9R1.35 CC(C)N1C=C(C=N1)I BML00244 [0,0,0,0,1,0|3,0,0]=4 148 B9R1.35 CC(C)N1N=CC(=N1)N CBR01697 [0,0,0,0,1,0|3,0,0]=4 149 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,0,0,0,1,0|3,0,0]=4 150 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,0,0,0,0,1|1,0,2]=4 153 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,0,0,0,0,1|1,0,1]=3 154 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,0,1|2,0,1]=4 155 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,0,1|2,0,1]=4 156 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,0,1|2,0,1]=4 157 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,0,1|2,0,1]=4 158 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,0,1|2,0,1]=4 159 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,0,1|2,0,1]=4 160 B11R1.20 CC(C)NC1=NC=C(C=N1)Br SYX00296 [0,0,0,0,0,1|3,0,0]=4 161 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,0,0,0,0,1|1,0,0]=2 162 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,0,0,0,0,1|0,0,0]=1 163 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,0,0,0,0,1|0,0,0]=1 164 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,0,0,0,0,1|1,0,0]=2 165 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,0,0,0,0,1|2,0,0]=3 166 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,0,1|2,0,1]=4 167 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [1,0,1,0,0,0|1,0,1]=4 168 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 170 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 171 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 172 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|0,0,2]=4 186 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|0,0,0]=2 193 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|0,0,0]=2 196 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,1,0,0,0,0|0,0,0]=2 206 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [1,1,0,0,0,0|0,0,1]=3 218 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|0,0,2]=4 259 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|0,0,2]=4 260 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|0,0,0]=2 271 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|0,0,2]=4 300 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.31 CC(C)C1=CC(=NO1)CN CBR00062 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.31 CC(C)C1=NC(=CS1)CN SYX00398 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.31 CC(C)C1=NOC(=C1)CN CBR00794 [0,1,0,0,1,0|2,0,0]=4 318 B10R1.55 CC(C)(C)C1=NOC(=C1)N T319627 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.59 CC(C)C1=C(SC(=N1)N)Br CDS023098 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.59 CC1=C(N=C(S1)N)C(C)C CDS023855 [0,1,0,0,1,0|2,0,0]=4 321 B10R1.194 CC1=C(ON=C1N)C(C)C PH014982 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [0,1,0,0,0,1|1,0,0]=3 323 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,1,0,0,0,1|1,0,0]=3 324 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [0,1,0,0,0,1|0,0,1]=3 326 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [0,1,0,0,0,1|1,0,0]=3 327 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N S683116 [0,1,0,0,0,1|1,0,1]=4 328 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,1,0,0,0,1|1,0,0]=3 329 B12R1.4 NCC1=CC=C(C=C1)OC(F)F CDS010568 [0,1,0,0,0,1|2,0,0]=4 330 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,1|1,0,1]=4 331 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,1,0,0,0,1|1,0,1]=4 332 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [0,1,0,0,0,1|2,0,0]=4 333 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [0,1,0,0,0,1|2,0,0]=4 334 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [0,1,0,0,0,1|1,0,0]=3 335 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [0,1,0,0,0,1|2,0,0]=4 336 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [0,1,0,0,0,1|2,0,0]=4 337 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,1,0,0,0,1|2,0,0]=4 341 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,1|1,0,1]=4 342 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,1|1,0,0]=3 343 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,1|1,0,1]=4 344 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [0,1,0,0,0,1|0,0,0]=2 345 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)Cl PH007438 [0,1,0,0,0,1|1,0,0]=3 346 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [0,1,0,0,0,1|1,0,0]=3 347 B12R1.106 NC1=CC=C(C=C1)OC(F)(F)Cl CDS012455 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,1,0,0,0,1|0,0,0]=2 349 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,1,0,0,0,1|1,0,0]=3 350 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,1,0,0,0,1|1,0,0]=3 351 B12R1.233 CC(C)OC1=NC=C(C=C1I)Br ADE000301 [0,1,0,0,0,1|2,0,0]=4 352 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CN CDS004083 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)NN PH010667 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.48 CC(C)C1=CC=C(C(=C1)F)CN PH019497 [0,2,0,0,0,0|0,0,0]=2 364 B12R1.48 CC(C)C1=CC=C(C(=N1)Cl)C#N CBR01456 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S S648868 [0,2,0,0,0,0|0,0,1]=3 370 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=S PH011044 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N S272302 [0,2,0,0,0,0|1,0,1]=4 373 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N S837261 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,2,0,0,0,0|1,0,1]=4 377 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O CDS013712 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.256 CC(Cl)C1=CC=C(C=C1)[N+](=O)[O-] S799831 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C R462608 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.9 CC[Te](C)(I)C1=CC=C(C=C1)C S201103 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.9 NC1=CC=C(C=C1)S(=O)(=O)CCl T163201 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.23 CC1=CC=C(C=C1Br)C(C)(C)C S866571 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)C PH002954 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)N S448281 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.23 NC1=C(C=C(C=C1)C(F)(F)F)F CDS003152 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.23 NC1=C(C=C(C=C1)C(F)(F)F)N CDS003449 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.126 CC(C)(N)C1=CC=C(C=C1Cl)Cl OTV000624 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O ASX00021 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.56 CNC1=CC(=CC=C1C)C(C)C S893048 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.893 CC1=CC=C(C(=C1N)C)C(C)C S775371 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.1005 CN(C)C1=CC(=C(C(=C1)Cl)O)Cl S596345 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.12 CCN(CC)C1=CC=C(C=C1)N S341010 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.12 CCN(CC)C1=CC=C(C=C1)N S637432 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.12 CO[Bi](OC)C1=CC=C(C=C1)Cl S839809 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.16 C[C@@H](N=C=O)C1=CC=C(C=C1)F CDS019968 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.16 C[C@H](N=C=O)C1=CC=C(C=C1)F CDS019969 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.1703 NC(CO)C1=CC=C(C=C1F)F PH018503 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.1000 [SiH](C)(C)C1=C(C=C(C=C1Cl)Cl)Cl S825506 [0,2,0,0,0,0|1,1,0]=4 426 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,1]=4 427 B10R2.14 NC1=CC(=NO1)C2CC2 T315060 [0,0,0,1,1,0|2,0,0]=4 428 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,1,0,1|0,0,2]=4 429 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,1,0,1|1,0,1]=4 430 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,1,0,1|1,0,1]=4 431 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,0,0,1,0,1|1,0,1]=4 432 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,0,0,1,0,1|0,0,0]=2 433 B12R2.606 CN1CC2=CC=C(C=C2C1)N CDS012772 [0,0,0,1,0,1|1,0,0]=3 434 B12R2.290 CC1=CC=C(C=C1)C2(CC2)N CBR00914 [0,1,0,1,0,0|1,0,0]=3 435 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br CDS022491 [0,1,0,1,0,0|1,0,0]=3 436 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl OTV000620 [0,1,0,1,0,0|1,0,0]=3 437 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F OTV000627 [0,1,0,1,0,0|1,0,0]=3 438 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F TMT00304 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,1,0,0|1,0,1]=4 441 B12R2.612 CN1N=NC2=C1C=CC(=C2)N CBR01799 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|1,0,1]=4 443 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.1 CCC1=CSC(=N1)N CBR01525 [1,0,0,0,1,0|2,0,0]=4 445 B8R1.1 CCC1=NNC(=C1)N CDS019625 [1,0,0,0,1,0|2,0,0]=4 446 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [1,0,0,0,1,0|2,0,0]=4 447 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,0,0,0,1,0|2,0,0]=4 448 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,0,0,0,1,0|2,0,0]=4 449 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,0,0,0,1,0|2,0,0]=4 450 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,0,0,0,0,1|2,0,0]=4 451 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,1|0,0,2]=4 452 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,0,0,0,0,1|1,0,0]=3 453 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,0,0,0,0,1|2,0,0]=4 454 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,1|1,0,0]=3 455 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,1|1,0,0]=3 456 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,0,0,0,0,1|2,0,0]=4 457 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,1|2,0,0]=4 458 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,1|2,0,0]=4 459 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,0,0,0,0,2|1,0,1]=4 460 B12R1.21 CC(C)/N=C/C1=CC=C(C=C1)Cl PH008253 [0,0,0,0,0,2|1,0,0]=3 461 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,0,0,0,0,2|1,0,0]=3 462 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,0,0,0,0,2|0,0,0]=2 463 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,0,0,0,0,2|1,0,0]=3 464 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,0,0,0,0,2|2,0,0]=4 465 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,0,0,0,0,2|2,0,0]=4 466 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [0,0,0,0,0,2|2,0,0]=4