0 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,0|2,1,1]=4 9 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,0|1,1,1]=3 13 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,0,0,0,0,0|3,1,0]=4 16 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,0,0,0,0|0,1,2]=4 19 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|0,0,2]=3 20 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|0,0,2]=3 21 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|0,0,2]=3 22 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|1,1,0]=3 29 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,0|1,1,1]=4 34 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,0|1,1,1]=4 35 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,0|1,1,1]=4 36 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,0|2,1,0]=4 40 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|1,0,2]=4 49 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|1,1,1]=4 50 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|1,1,1]=4 51 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|1,1,1]=4 52 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,0,0|2,1,0]=4 54 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,1,0,0,0,0|1,1,1]=4 56 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,0|1,1,1]=4 57 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|1,0,1]=3 58 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|1,1,1]=4 62 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|1,1,0]=3 68 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|0,1,1]=3 74 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|1,1,1]=4 77 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|1,1,1]=4 80 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|1,1,1]=4 82 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|1,1,1]=4 83 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|1,1,1]=4 84 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,0,0,0,0|1,1,0]=3 85 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.28 Br[Te](Br)(Br)C1=CC=CC=C1 S949361 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,1,0,0,0,0|1,1,0]=3 89 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.28 Cl[Te](Cl)(Cl)C1=CC=CC=C1 S940674 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,0,0|2,1,0]=4 97 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,0,0|2,1,0]=4 98 B10R1.28 S=P(Cl)(Cl)C1=CC=CC=C1 CDS000508 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,0,0|0,1,0]=2 104 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,1,0,0,0,0|1,1,0]=3 105 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|1,0,2]=4 106 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|1,1,0]=3 111 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|1,1,1]=4 116 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|1,1,1]=4 117 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|1,1,1]=4 118 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|2,1,0]=4 119 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|2,1,0]=4 120 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,0,0,0,0|2,1,0]=4 121 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,0|1,1,1]=4 125 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,0|1,1,1]=4 126 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,1,0,0,0,0|1,1,0]=3 131 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,1,0,0,0,0|1,1,0]=3 132 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.113 FC1=CC(=CC=N1)C(F)F MNO000175 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,0|1,1,1]=4 144 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,0|1,1,1]=4 145 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,0,0|2,1,0]=4 147 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,0|1,1,1]=4 148 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,0,1,0,0,0|2,0,1]=4 149 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|0,1,1]=3 150 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|1,1,1]=4 151 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [0,0,0,0,1,0|3,0,0]=4 152 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,1,0|2,0,0]=3 153 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,1,0|2,0,0]=3 154 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,0,0,0,1,0|2,0,0]=3 155 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,0,0,0,1,0|3,0,0]=4 156 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,1|1,0,1]=3 158 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|1,1,1]=4 159 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|1,1,1]=4 160 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,1|1,1,1]=4 161 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,1|1,1,1]=4 162 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|1,1,1]=4 163 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,1|2,0,0]=3 166 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,0,1|1,1,0]=3 170 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|1,1,1]=4 171 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,1|2,1,0]=4 172 B7R0.4 C/C=C/C=C\C(C)O T211419 [1,0,1,0,0,0|0,1,1]=4 173 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 174 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 176 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,1,0]=4 178 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,1,0]=4 179 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,1,0]=4 180 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,1,0]=4 181 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,0,1]=4 182 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,1,0]=3 184 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,0,1]=3 185 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|0,0,0]=2 186 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|1,1,0]=4 201 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|0,0,2]=4 206 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,1,0]=4 207 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|1,1,0]=4 208 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|0,0,0]=2 209 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|1,0,0]=3 217 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,0]=3 228 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|1,1,0]=4 232 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|1,1,0]=4 233 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|1,1,0]=4 234 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|1,1,0]=4 235 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|1,1,0]=4 236 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|1,1,0]=4 237 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|0,1,1]=4 239 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.8 COCC1=CC=CC=N1 S363146 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|0,1,0]=3 251 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|0,1,1]=4 259 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|1,1,0]=4 261 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.15 CCN1C=CC=CC1=O S683159 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|1,1,0]=4 280 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|1,1,0]=4 281 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,1,0]=4 282 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|1,1,0]=4 285 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|1,1,0]=4 286 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|1,1,0]=4 287 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|1,1,0]=4 288 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|1,1,0]=4 289 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,1,0,0,1,0|1,1,0]=4 290 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,1,0,0,1,0|2,0,0]=4 292 B9R1.11 OC[C@H](O)C1=COC=C1 T279072 [0,1,0,0,1,0|1,1,0]=4 293 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,1,0,0,1,0|1,1,0]=4 295 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,1|1,0,1]=4 297 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,0,1|1,0,1]=4 298 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,1|0,1,1]=4 299 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,1|0,1,1]=4 300 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,1|0,1,1]=4 301 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,1|0,1,1]=4 302 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,1|0,1,1]=4 303 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,1|0,1,1]=4 304 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,0,0,0,1|1,0,0]=3 305 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,0,0,0,1|1,0,0]=3 306 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,1|1,0,0]=3 310 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,1|1,0,0]=3 311 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,1|1,0,1]=4 312 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,1|0,1,1]=4 313 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,1|0,1,1]=4 314 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,1|0,1,0]=3 321 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,1|0,1,0]=3 322 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,1|0,1,0]=3 323 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,1|0,1,0]=3 324 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,1|0,1,0]=3 325 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,1|0,1,0]=3 326 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,1|0,1,0]=3 328 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,1|0,1,1]=4 330 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,1|1,0,0]=3 331 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,1|0,0,2]=4 334 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,1|0,1,1]=4 336 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,1|0,1,1]=4 337 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,1|1,0,1]=4 338 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,1|0,1,1]=4 339 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,1|1,0,1]=4 340 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,1|0,0,2]=4 341 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|0,1,1]=4 342 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,1|0,1,1]=4 343 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,1|0,1,0]=3 344 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,1,0,0,0,1|1,1,0]=4 345 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,1,0,0,0,1|1,1,0]=4 346 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,1|0,1,1]=4 347 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,1|0,1,1]=4 348 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,1|0,1,1]=4 349 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,1,0,0,0,1|1,0,0]=3 352 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,1|0,1,1]=4 357 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,1|0,1,1]=4 358 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,1|0,1,1]=4 359 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,1|0,1,1]=4 360 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,1,0,0,0,1|1,0,0]=3 362 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,1,0,0,0,1|1,1,0]=4 363 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,0,0,0,1|1,1,0]=4 364 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,1|1,1,0]=4 368 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,1,0,0,0,1|1,1,0]=4 373 B11R1.509 ClC(Cl)(Cl)[Hg]C1=CC=CC=C1 S851965 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.509 FC(F)(F)[Hg]C1=CC=CC=C1 S110469 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,2,0,0,0,0|1,1,0]=4 392 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,2,0,0,0,0|1,1,0]=4 393 B11R1.19 FC(F)(F)C1=CC=C(C=C1)S CDS007567 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|0,1,1]=4 396 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|0,1,1]=4 397 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,2,0,0,0,0|0,1,1]=4 398 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,2,0,0,0,0|0,1,1]=4 399 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,2,0,0,0,0|0,1,1]=4 400 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,2,0,0,0,0|0,1,0]=3 404 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.21 FC1=C(C=C(C=C1)C(F)F)F MNO000096 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,2,0,0,0,0|0,1,1]=4 409 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,2,0,0,0,0|0,1,1]=4 410 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,2,0,0,0,0|0,1,1]=4 411 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,2,0,0,0,0|0,1,1]=4 412 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,2,0,0,0,0|0,1,1]=4 414 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|0,1,1]=4 415 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,2,0,0,0,0|0,1,0]=3 420 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,2,0,0,0,0|0,1,0]=3 421 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,2,0,0,0,0|0,1,0]=3 422 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,2,0,0,0,0|0,1,0]=3 423 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,2,0,0,0,0|0,1,0]=3 424 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,2,0,0,0,0|1,1,0]=4 425 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,2,0,0,0,0|0,1,1]=4 426 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,2,0,0,0,0|0,1,1]=4 427 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,2,0,0,0,0|0,1,1]=4 428 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,2,0,0,0,0|0,1,1]=4 429 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,2,0,0,0,0|0,1,1]=4 431 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|0,1,1]=4 434 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|0,1,1]=4 435 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|0,1,1]=4 436 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|0,1,1]=4 437 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|0,1,1]=4 438 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|0,1,1]=4 439 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|0,1,1]=4 440 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|0,1,1]=4 441 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,2,0,0,0,0|0,1,0]=3 443 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,2,0,0,0,0|0,1,0]=3 444 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,2,0,0,0,0|1,0,0]=3 447 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,2,0,0,0,0|0,1,0]=3 451 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,2,0,0,0,0|0,1,0]=3 452 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,2,0,0,0,0|1,1,0]=4 458 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,2,0,0,0,0|0,1,0]=3 459 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,2,0,0,0,0|1,1,0]=4 460 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,2,0,0,0,0|0,2,0]=4 461 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,2,0,0,0,0|0,1,1]=4 462 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,2,0,0,0,0|0,1,1]=4 463 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,2,0,0,0,0|0,1,1]=4 469 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,2,0,0,0,0|0,1,0]=3 470 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|0,1,1]=4 471 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,2,0,0,0,0|0,1,0]=3 473 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,2,0,0,0,0|0,0,1]=3 474 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,2,0,0,0,0|1,1,0]=4 478 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|0,1,1]=4 479 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,2,0,0,0,0|0,1,0]=3 482 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,2,0,0,0,0|0,1,0]=3 483 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|0,1,1]=4 486 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|0,1,1]=4 487 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,2,0,0,0,0|0,1,1]=4 488 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,2,0,0,0,0|0,1,0]=3 489 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,2,0,0,0,0|0,1,1]=4 490 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,2,0,0,0,0|0,1,1]=4 491 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,2,0,0,0,0|0,1,1]=4 492 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [0,2,0,0,0,0|1,1,0]=4 493 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,2,0,0,0,0|0,1,0]=3 494 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,2,0,0,0,0|0,1,0]=3 495 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,2,0,0,0,0|0,1,1]=4 496 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,2,0,0,0,0|0,1,1]=4 497 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,2,0,0,0,0|0,1,1]=4 498 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,2,0,0,0,0|0,1,1]=4 499 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,2,0,0,0,0|0,1,1]=4 501 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,2,0,0,0,0|0,1,0]=3 503 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,2,0,0,0,0|0,1,1]=4 504 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,2,0,0,0,0|0,1,0]=3 506 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|0,1,1]=4 507 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|0,1,1]=4 508 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|0,1,1]=4 509 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,2,0,0,0,0|0,0,2]=4 510 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,2,0,0,0,0|0,1,0]=3 511 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [0,2,0,0,0,0|0,1,0]=3 513 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,2,0,0,0,0|1,1,0]=4 514 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [0,2,0,0,0,0|1,1,0]=4 515 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,2,0,0,0,0|1,1,0]=4 516 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,2,0,0,0,0|1,1,0]=4 517 B11R1.87 NC1=CC=CC=C1C(F)(F)F S677965 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N CDS013665 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [0,2,0,0,0,0|0,1,0]=3 520 B11R1.155 CC(C)(O)C1=CN=CC(=C1)Br PH007865 [0,2,0,0,0,0|1,1,0]=4 521 B11R1.155 CC(C)(O)C1=C[N+](=CC=C1)[O-] S668338 [0,2,0,0,0,0|1,1,0]=4 522 B11R1.155 CC1=CC=NC(=C1)C(C)(F)F MNO000145 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,2,0,0,0,0|1,1,0]=4 524 B11R1.155 NC1=CC=CC(=C1)C(F)(F)F S677973 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.53 C(=O)C1=CC=CC=C1C(F)F MNO000206 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|0,1,1]=4 527 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.53 FC(F)C1=CC=CC=C1CBr CDS024371 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|0,1,1]=4 533 B11R1.156 FC1=CC=CC(=C1C(F)F)F MNO000192 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|0,1,1]=4 535 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|0,1,1]=4 536 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|0,1,1]=4 538 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,2,0,0,0,0|0,1,0]=3 540 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,2,0,0,0,0|0,1,0]=3 541 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.167 FC1=CC(=C(C=C1)F)C(F)F MNO000051 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.74 CN(C)C1=CC(=CC(=C1)Cl)Cl S886807 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.266 C(=O)C1=CC=CC(=C1)C(F)F MNO000203 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.266 CN(C)C1=CC(=CC=C1)C#N S869449 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,2,0,0,0,0|0,1,0]=3 551 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.266 FC(F)C1=CC=CC(=C1)CBr CDS024372 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|0,1,1]=4 555 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,0,1|0,1,0]=3 556 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,1,0,1|2,0,0]=4 557 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,1|1,0,1]=4 558 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,1,0,1|0,0,0]=2 559 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,1,0,1|1,0,1]=4 560 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|1,0,1]=4 561 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|0,1,1]=4 562 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,1,0,0|1,0,0]=3 563 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,1,0,0|1,0,1]=4 564 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,1,0,0|1,0,1]=4 565 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,1,0,0|1,0,0]=3 566 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|0,1,1]=4 567 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,1,0,0|0,0,2]=4 568 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,1,0,1,0,0|1,0,0]=3 569 B11R2.40 NC1(CC1)C2=CC=CN=C2 PH017220 [0,1,0,1,0,0|2,0,0]=4 570 B11R2.40 NC1(CC1)C2=CC=NC=C2 PH018491 [0,1,0,1,0,0|2,0,0]=4 571 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,1,0,1,0,0|2,0,0]=4 572 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,1,0,1,0,0|1,0,0]=3 573 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,1,0,1,0,0|2,0,0]=4 574 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,1,0,1,0,0|2,0,0]=4 575 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,1,0,1,0,0|1,0,0]=3 576 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [0,1,0,1,0,0|1,0,0]=3 577 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [0,1,0,1,0,0|1,0,0]=3 578 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,0,0,0,1,0|2,0,0]=4 580 B7R1.1 CCC1=CNN=C1 CBR01738 [1,0,0,0,1,0|2,0,0]=4 581 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,1,0|2,0,0]=4 582 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,1,0|2,0,0]=4 583 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,1,0|1,1,0]=4 584 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,1,0|1,0,0]=3 585 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,2|1,0,1]=4 586 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,2|1,0,1]=4 587 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,2|0,1,1]=4 588 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,0,2|1,0,0]=3 589 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,0,0,0,2|1,0,0]=3 590 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,0,0,0,0,2|1,0,0]=3 591 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,0,0,0,0,2|1,0,0]=3 592 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [0,0,0,0,0,2|2,0,0]=4 593 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,0,2|1,0,0]=3 594 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,0,2|1,0,0]=3 595 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,0,2|1,0,0]=3 596 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,0,0,0,2|2,0,0]=4 597 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,0,0,0,2|2,0,0]=4 598 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,0,2|2,0,0]=4