0 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 OB(O)C1=CN=CN=C1 CDS013999 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|0,0,1]=2 26 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 CC1=CN=C(C=N1)C(=N)N CDS008457 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,0|0,0,0]=1 51 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|1,1,0]=3 52 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.13 O=[N+]([O-])C1=CC=C(N=C1)S PH009935 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 O=[N+]([O-])C1=CN=C(N=C1)Br CDS022552 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,0|1,0,1]=3 67 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,0|0,0,2]=3 81 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,1,0,0,0,0|1,0,2]=4 90 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 CDS013908 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 S370525 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.28 O[B-](O)(O)C1=CN=CC=C1 BCH00013 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|1,1,0]=3 100 B10R1.61 CC1=C(C=CC=N1)B(O)O BML00230 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,0|0,0,0]=1 102 B10R1.61 CC1=C(C=NC=C1)B(O)O BML00295 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 CC1=C(C=NC=C1)B(O)O CDS003860 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.61 CC1=NC=CC=C1B(O)O CDS019614 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.61 OB(O)C1=CN=CC=C1Cl CDS023251 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|2,1,0]=4 127 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,0|1,1,0]=3 134 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,1,0,0,0,0|2,1,0]=4 137 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,0,0|0,0,1]=2 141 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.113 O=N(=O)C1=CN=CC(=C1)Br ANV00040 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.363 CC1(C=CCC=C1)C(=O)N T270628 [0,1,0,0,0,0|1,0,2]=4 167 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|2,0,0]=3 168 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [0,0,0,1,0,0|1,0,2]=4 169 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|1,0,1]=3 170 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,1,0|2,0,0]=3 171 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,1,0|2,0,1]=4 173 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,0,0,0,1,0|2,0,1]=4 174 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,1,0|2,0,0]=3 176 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,1,0|0,0,1]=2 177 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,1,0|1,0,0]=2 178 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,1,0|1,0,0]=2 179 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,1,0|0,1,1]=3 180 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,1,0|1,1,0]=3 181 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,1,0|1,1,0]=3 182 B8R1.7 NC(=S)C1=CNC=N1 CDS015089 [0,0,0,0,1,0|1,1,0]=3 183 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,0,0,0,1,0|1,1,0]=3 184 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [0,0,0,0,1,0|1,1,0]=3 185 B8R1.7 NC(=S)C1=NOC=N1 CBR00421 [0,0,0,0,1,0|2,1,0]=4 186 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,1,0|2,0,0]=3 187 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,1,0|2,0,0]=3 188 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,1,0|2,0,0]=3 189 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,1,0|2,0,0]=3 190 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,0,0,0,1,0|3,0,0]=4 191 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,0,1,0|3,0,0]=4 192 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,0,1,0|2,0,0]=3 193 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,0,1,0|2,0,0]=3 194 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,0,1,0|3,0,0]=4 195 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,1,0|2,0,0]=3 196 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,0,1,0|3,0,0]=4 197 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,1|1,0,1]=3 205 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,1|1,0,0]=2 211 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,1|3,0,0]=4 213 B7R1.3 BrC1=CC=CN=N1 CDS023312 [2,0,0,0,0,0|2,0,0]=4 214 B7R1.3 BrC1=CN=CC=N1 CDS005022 [2,0,0,0,0,0|2,0,0]=4 215 B7R1.3 BrC1=CN=NC=C1 CDS022809 [2,0,0,0,0,0|2,0,0]=4 216 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 217 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|1,0,0]=3 219 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|2,0,0]=4 220 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|2,0,0]=4 221 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 222 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,1]=4 223 B7R1.3 [O-]C1=CN=CC=N1 S451452 [2,0,0,0,0,0|1,0,1]=4 224 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,1,0]=4 225 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|2,0,0]=4 226 B9R0.7 CC(=C/C=C(\C)/C(=O)N)C S880884 [0,1,1,0,0,0|1,0,1]=4 227 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [1,1,0,0,0,0|1,0,1]=4 229 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [1,1,0,0,0,0|0,0,2]=4 237 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [1,1,0,0,0,0|0,0,2]=4 238 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|0,0,2]=4 239 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [1,1,0,0,0,0|1,0,1]=4 242 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|0,0,0]=2 244 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|0,0,1]=3 245 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|0,0,0]=2 248 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|1,0,1]=4 252 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|0,0,1]=3 254 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|0,0,0]=2 255 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|0,0,0]=2 256 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|0,0,2]=4 258 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|0,0,2]=4 259 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|0,0,2]=4 260 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,1,0,0,0,0|0,0,0]=2 263 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,1,0,0,0,0|0,0,1]=3 265 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,1,0,0,0,0|0,0,1]=3 266 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,1,0,0,0,0|0,0,1]=3 268 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,1,0,0,0,0|0,0,2]=4 269 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,1,0,0,0,0|0,0,2]=4 270 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|0,0,1]=3 275 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|0,0,0]=2 280 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|0,0,2]=4 282 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|0,0,2]=4 284 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,1,0,0,1,0|2,0,0]=4 288 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,1,0|1,0,1]=4 289 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,1,0|2,0,0]=4 290 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.11 N/C(=N\O)/C1=CSC=C1 CDS017788 [0,1,0,0,1,0|1,0,1]=4 292 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,1,0|2,0,0]=4 293 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,0,1,0|2,0,0]=4 297 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,1,0|2,0,0]=4 300 B9R1.35 CC1=NC(=CN1)C(=S)N CDS014746 [0,1,0,0,1,0|1,1,0]=4 301 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,1,0,0,1,0|2,0,0]=4 302 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,1,0,0,1,0|2,0,0]=4 303 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,1,0|1,0,0]=3 304 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,1,0,0,1,0|1,0,0]=3 305 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,1,0|2,0,0]=4 307 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,1,0,0,1,0|2,0,0]=4 308 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,1,0,0,1,0|2,0,0]=4 309 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,1,0|2,0,0]=4 311 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,1,0,0,1,0|2,0,0]=4 312 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,1,0|2,0,0]=4 313 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,0,1,0|2,0,0]=4 314 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,1,0|2,0,0]=4 315 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,1,0|2,0,0]=4 317 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,1,0,0,1,0|2,0,0]=4 318 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|1,0,1]=4 319 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,0,1,0|1,0,1]=4 320 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,0,1,0|2,0,0]=4 321 B9R1.41 CC1=C(C=NO1)C(=O)Cl SYX00343 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|1,0,1]=4 324 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,1,0,0,1,0|2,0,0]=4 325 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,1,0,0,1,0|2,0,0]=4 327 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|1,0,1]=4 328 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,1,0,0,1,0|2,0,0]=4 330 B9R1.41 NC(=O)C1=C(C=NN1)N CBR00702 [0,1,0,0,1,0|1,0,0]=3 331 B9R1.41 NC(=O)C1=C(NN=C1)N JRD0197 [0,1,0,0,1,0|1,0,0]=3 332 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,0,1,0|1,0,0]=3 333 B9R1.41 NC(=S)C1=CNN=C1N BOG00272 [0,1,0,0,1,0|1,1,0]=4 334 B9R1.41 NC1=C(C=NN1)C(=O)O CDS005670 [0,1,0,0,1,0|2,0,0]=4 335 B9R1.41 NC1=NSC=C1C(=O)O CBR02439 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|1,0,1]=4 339 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,0,0,0,1|1,1,0]=4 354 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,1|1,0,0]=3 355 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,0,1|1,1,0]=4 361 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,0,0,0,1|1,1,0]=4 362 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,0,0,0,1|1,1,0]=4 363 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,1|1,1,0]=4 376 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,1|1,0,0]=3 380 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,1|1,0,1]=4 381 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,1|1,0,1]=4 382 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,1|1,0,0]=3 390 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,1|1,0,0]=3 398 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,1|1,0,0]=3 399 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,1|1,0,0]=3 400 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,1|1,0,0]=3 402 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.86 S=C(S)NC1=C(N=CC=C1)Cl PH013325 [0,1,0,0,0,1|1,1,0]=4 406 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,1,0,0,0,1|1,1,0]=4 415 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.509 CS(=O)(=O)OC1=CN=CC=C1 PH009192 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.509 O=S(=O)(Cl)CC1=CC=CN=C1 CDS010417 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,2,0,0,0,0|1,0,0]=3 421 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [0,2,0,0,0,0|1,1,0]=4 422 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [0,2,0,0,0,0|1,1,0]=4 423 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.3 COC1=CC=C(C=N1)[N+](=O)[O-] L100137 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [0,2,0,0,0,0|1,1,0]=4 430 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.3 O=CC1=CC=C(C=N1)[N+](=O)[O-] CDS010508 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.19 CS(=O)(=O)C1=CN=C(C=C1)Br MNO000087 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.19 NC1=CC=C(C=N1)S(=O)(=O)N CDS012618 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.19 O=S(=O)(Cl)C1=CN=C(C=C1)Cl CDS010949 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,2,0,0,0,0|1,1,0]=4 448 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,2,0,0,0,0|1,1,0]=4 451 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,2,0,0,0,0|0,0,0]=2 454 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,2,0,0,0,0|1,1,0]=4 456 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,2,0,0,0,0|1,1,0]=4 457 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,2,0,0,0,0|1,1,0]=4 458 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.21 O=[N+]([O-])C1=CN=C(C(=C1)F)Cl CDS021288 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.21 O=[N+]([O-])C1=CN=C(C(=C1)I)Br ADE000438 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,2,0,0,0,0|1,0,1]=4 464 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,2,0,0,0,0|0,0,1]=3 473 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,2,0,0,0,0|1,0,0]=3 474 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.166 NC(=O)C1=CN=C(N=C1Cl)Cl MNO000176 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,2,0,0,0,0|1,1,0]=4 497 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,2,0,0,0,0|1,1,0]=4 498 B11R1.166 NC1=C(C=CC(=N1)Br)[N+](=O)[O-] KOB0063 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.166 NC1=NC=C(C(=C1)Br)[N+](=O)[O-] PHB00263 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.166 O=[N+]([O-])C1=CC=C(N=C1Br)Cl CDS021043 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,2,0,0,0,0|0,0,0]=2 514 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,2,0,0,0,0|1,0,1]=4 535 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,2,0,0,0,0|1,0,0]=3 541 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,2,0,0,0,0|0,0,0]=2 547 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,2,0,0,0,0|1,1,0]=4 548 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,2,0,0,0,0|1,0,1]=4 551 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,2,0,0,0,0|1,0,1]=4 554 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl CDS014057 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.155 NS(=O)(=O)C1=CC(=CN=C1)Br CDS022662 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.155 O=S(=O)(Cl)C1=CN=CC(=C1)Br CDS016144 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.156 NC(=S)C1=C(C=CC=C1F)F OTV000289 [0,2,0,0,0,0|1,1,0]=4 580 B11R1.156 NC1=C(C(=NC=C1)Br)[N+](=O)[O-] PHB00245 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.156 O=C([O-])C1=C(N=CN=C1Cl)Cl CDS021248 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.156 O=[N+]([O-])C1=C(C=CN=C1O)O R436798 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.159 NC1=C(C=NC=C1Br)[N+](=O)[O-] PHB00056 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Br)O ADE000723 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Cl)O ADE000441 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)I)O ADE000440 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,2,0,0,0,0|1,1,0]=4 620 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,2,0,0,0,0|1,0,0]=3 631 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.167 O=[N+]([O-])C1=CC(=CN=C1Br)Br ADE000413 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.167 O=[N+]([O-])C1=CC(=CN=C1Br)Cl ADE000433 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.167 O=[N+]([O-])C1=CC(=CN=C1Br)I ADE000431 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.74 N=C(N)C1=CC(=CC(=C1)F)F CDS005160 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.266 COC1=NC(=CN=C1)C(=S)N PH015538 [0,2,0,0,0,0|1,1,0]=4 645 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,1,1,0,0|1,0,1]=4 650 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|2,0,0]=4 651 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,1,0,1|1,0,0]=3 652 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,0,0,1,0,1|1,0,1]=4 653 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,1|2,0,0]=4 654 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,1|0,0,0]=2 655 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,1|1,1,0]=4 656 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,1|1,1,0]=4 657 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,1,0,1,0,0|1,0,0]=3 658 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [0,1,0,1,0,0|1,0,0]=3 659 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|2,0,0]=4 660 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,1,0,1,0,0|1,0,0]=3 661 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,1,0,1,0,0|1,0,0]=3 662 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,1,0,1,0,0|2,0,0]=4 663 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,1,0,0|2,0,0]=4 664 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|1,0,1]=4 665 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,1,0,1,0,0|0,0,1]=3 666 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|1,0,0]=3 667 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|2,0,0]=4 668 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,1,0,0|1,1,0]=4 669 B11R2.40 NC1(CC1)C2=CC=CN=C2 PH017220 [0,1,0,1,0,0|1,0,1]=4 670 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,1,0,1,0,0|1,0,1]=4 671 B7R1.1 NCC1=CN=CS1 CDS007657 [1,0,0,0,1,0|1,0,1]=4 672 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,1,0|1,0,1]=4 673 B7R1.1 NCC1=NC=CS1 CDS023086 [1,0,0,0,1,0|1,0,1]=4 674 B7R1.1 NCC1=NC=CS1 PHB00196 [1,0,0,0,1,0|1,0,1]=4 675 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|1,0,0]=3 676 B7R1.1 O=CC1=CNN=N1 CDS009687 [1,0,0,0,1,0|2,0,0]=4 677 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|1,0,0]=3 678 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|1,0,0]=3 679 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,2|2,0,0]=4 680 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,2|2,0,0]=4 681 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,2|2,0,0]=4 682 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,2|2,0,0]=4 683 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,2|2,0,0]=4 684 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,2|2,0,0]=4 685 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,2|1,0,0]=3 686 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,2|1,0,0]=3 687 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,2|0,0,0]=2 688 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,2|1,1,0]=4 689 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,2|1,1,0]=4 690 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,2|2,0,0]=4 691 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,2|2,0,0]=4 692 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,2|2,0,0]=4 693 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,2|2,0,0]=4 694 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,2|2,0,0]=4 695 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,2|2,0,0]=4 696 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,2|2,0,0]=4 697 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,2|2,0,0]=4 698 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [0,0,0,0,0,2|2,0,0]=4