0 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 CSC1=NC=CN=N1 SYX00362 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,0,0|0,0,0]=1 37 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 CC1=CN=C(C=N1)C(=N)N CDS008457 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,0,0|2,1,0]=4 57 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,1,0,0,0,0|1,1,0]=3 58 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.13 OB(O)C1=CC=C(C=N1)Cl CDS002921 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,1,0,0,0,0|1,0,2]=4 72 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,0|1,0,1]=3 78 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.15 N/C(=N/O)/C1=NC=CC=N1 BOG00014 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,0,0,0,0|0,0,2]=3 98 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,1,0,0,0,0|2,1,0]=4 101 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.28 O=S(=O)([O-])C1=NC=CC=N1 S908223 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,0,0|1,0,2]=4 114 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,1,0,0,0,0|0,0,3]=4 115 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|2,1,0]=4 116 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,1,0,0,0,0|1,0,1]=3 121 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|2,1,0]=4 138 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,0,0|0,0,0]=1 140 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,1,0,0,0,0|0,0,2]=3 146 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,0,0|2,1,0]=4 149 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,1,0,0,0,0|1,1,0]=3 151 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.113 CN(C)C1=CC(=NC=N1)Cl CBR00409 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.113 CN(C)C1=CN=CC(=N1)I SYX00371 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.113 OB(O)C1=CC=CC(=N1)Cl CDS022634 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,0,1,0,0,0|2,0,1]=4 187 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|1,0,0]=2 188 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,1,0|1,0,0]=2 190 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,1,0|1,0,0]=2 191 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,0,0,1,0|2,0,1]=4 192 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,0,0,1,0|2,0,1]=4 193 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,0,0,0,1,0|2,0,1]=4 194 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,0,0,0,1,0|2,0,1]=4 195 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,0,0,1,0|3,0,0]=4 196 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,1,0|1,0,1]=3 197 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,0,0,0,1,0|3,0,0]=4 198 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,0,0,0,1,0|2,0,0]=3 199 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,0,0,0,1,0|1,1,1]=4 200 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,0,0,1,0|2,1,0]=4 201 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,0,0,0,1,0|2,1,0]=4 202 B8R1.7 NC(=S)C1=CNC=N1 CDS015089 [0,0,0,0,1,0|2,1,0]=4 203 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,0,0,0,1,0|2,1,0]=4 204 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [0,0,0,0,1,0|2,1,0]=4 205 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,1,0|2,0,0]=3 206 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,1,0|2,0,1]=4 207 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,1,0|3,0,0]=4 208 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,1,0|3,0,0]=4 209 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,0,0,0,1,0|3,0,0]=4 210 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,0,1,0|3,0,0]=4 212 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,0,0,0,1,0|3,0,0]=4 213 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,1,0|2,0,0]=3 214 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,0,0,0,1,0|3,0,0]=4 215 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,1|0,0,0]=1 217 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,1|1,0,0]=2 219 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,1|2,0,0]=3 220 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,1|0,0,0]=1 222 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,0,0,0,0,1|1,0,1]=3 223 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,0,1|2,0,1]=4 228 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,1|1,0,0]=2 229 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,1|3,0,0]=4 235 B7R1.3 BrC1=CC=CN=N1 CDS023312 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.3 BrC1=CN=CC=N1 CDS005022 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|2,0,0]=4 239 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 240 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,0]=3 241 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|0,0,1]=3 242 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|2,0,0]=4 243 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 244 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|1,1,0]=4 245 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,1]=4 246 B7R1.3 [O-]C1=CN=CC=N1 S451452 [2,0,0,0,0,0|1,0,1]=4 247 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,1,0]=4 248 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|2,0,0]=4 249 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,1,1,0,0,0|1,0,1]=4 250 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,1,0,0,0,0|0,0,2]=4 251 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|0,0,0]=2 252 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|0,0,0]=2 253 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|0,0,0]=2 254 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 CSC1=NC=C(C=N1)O S217581 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|0,0,0]=2 262 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,1,0,0,0,0|0,0,2]=4 266 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|0,0,0]=2 267 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|1,0,1]=4 270 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,1]=4 273 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|0,0,1]=3 274 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.2 CSC1=NC=CC(=N1)O S217336 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 CSC1=NC=CC(=N1)O S440043 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|0,0,2]=4 296 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|0,0,2]=4 297 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,1,0,0,0,0|0,0,0]=2 300 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,1,0,0,0,0|0,0,1]=3 301 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.8 COCC1=CC=CC=N1 S363146 [1,1,0,0,0,0|0,0,1]=3 305 B9R1.8 IC#CC1=NC=CC=C1 RNI00054 [1,1,0,0,0,0|0,0,2]=4 306 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,1,0,0,0,0|0,0,1]=3 307 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [1,1,0,0,0,0|0,0,2]=4 308 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.15 COC1=NC=CN=C1I SYX00132 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|0,0,0]=2 321 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|0,0,0]=2 323 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|0,0,2]=4 324 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,1,0,0,1,0|1,0,1]=4 325 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,1,0,0,1,0|0,0,2]=4 327 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,1,0|0,0,1]=3 328 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,1,0|1,0,0]=3 329 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,1,0,0,1,0|1,0,0]=3 330 B9R1.19 CS(=O)(=O)N1C=CC=C1 PH009487 [0,1,0,0,1,0|2,0,0]=4 331 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,1,0,0,1,0|1,0,0]=3 332 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,1,0,0,1,0|2,0,0]=4 333 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,1,0,0,1,0|1,0,0]=3 334 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,1,0,0,1,0|1,0,0]=3 335 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,1,0,0,1,0|2,0,0]=4 339 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,1,0,0,1,0|2,0,0]=4 342 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,1,0,0,1,0|2,0,0]=4 343 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,1,0,0,1,0|2,0,0]=4 344 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,1,0,0,1,0|2,0,0]=4 345 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,1,0,0,1,0|2,0,0]=4 346 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,1,0,0,1,0|2,0,0]=4 347 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,1,0,0,1,0|2,0,0]=4 348 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,1,0,0,1,0|2,0,0]=4 349 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,1,0,0,1,0|2,0,0]=4 350 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,0,1,0|2,0,0]=4 353 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,0,1,0|2,0,0]=4 354 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,1,0,0,1,0|2,0,0]=4 355 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|1,0,1]=4 356 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|1,0,1]=4 357 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,1,0,0,1,0|2,0,0]=4 358 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,0,1,0|2,0,0]=4 360 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|2,0,0]=4 361 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|2,0,0]=4 362 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|1,0,1]=4 363 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|2,0,0]=4 364 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,0,1,0|2,0,0]=4 365 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,1|0,0,0]=2 371 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,1|1,0,0]=3 374 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,0,1|0,0,0]=2 375 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,0,1|0,0,0]=2 376 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [0,1,0,0,0,1|1,0,1]=4 391 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,1|1,0,0]=3 395 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,1|1,1,0]=4 396 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,1,0,0,0,1|1,0,1]=4 397 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,1|1,0,1]=4 398 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,1|1,0,1]=4 399 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,1|1,1,0]=4 406 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,1,0,0,0,1|0,1,0]=3 407 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,1|0,0,0]=2 413 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,1|0,0,1]=3 415 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,0,1|0,0,0]=2 421 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,0,1|0,0,0]=2 422 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,1|1,0,0]=3 423 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [0,1,0,0,0,1|1,0,1]=4 425 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,1|1,0,0]=3 437 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,1|0,0,0]=2 438 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,1|1,0,0]=3 441 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,0,1|0,0,0]=2 442 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,0,1|0,0,0]=2 443 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,1,0,0,0,1|0,0,2]=4 445 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,0,0,0,1|0,0,2]=4 446 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.509 CS(=O)(=O)NC1=CC=CC=N1 T326070 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,2,0,0,0,0|1,0,1]=4 460 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.19 CS(=O)(=O)C1=NC=C(C=N1)O S217050 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.19 CS(=O)(=O)C1=NN=C(C=C1)Cl L163767 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.19 O=S(=O)(Cl)C1=CC=C(C=N1)Br CDS007680 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,2,0,0,0,0|1,0,1]=4 481 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,2,0,0,0,0|1,0,1]=4 482 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,2,0,0,0,0|1,0,1]=4 484 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,2,0,0,0,0|1,0,1]=4 485 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,2,0,0,0,0|0,0,0]=2 493 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,2,0,0,0,0|0,0,0]=2 495 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,2,0,0,0,0|0,0,0]=2 496 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,2,0,0,0,0|1,0,1]=4 500 B11R1.22 NC1=CC=C(N=C1)/C(=N/O)/N BOG00016 [0,2,0,0,0,0|1,0,1]=4 501 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,2,0,0,0,0|0,0,0]=2 510 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,2,0,0,0,0|1,0,1]=4 528 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.12 COB(OC)C1=NC=CC=C1 SYX00391 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.12 O/C=C(\C=O)/C1=CC=NC=N1 TMT00404 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,2,0,0,0,0|1,0,1]=4 532 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [0,2,0,0,0,0|0,0,2]=4 548 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,2,0,0,0,0|0,0,0]=2 555 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,2,0,0,0,0|0,0,0]=2 556 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,2,0,0,0,0|0,0,0]=2 559 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,2,0,0,0,0|0,0,0]=2 563 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,2,0,0,0,0|0,0,0]=2 564 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,2,0,0,0,0|0,0,0]=2 565 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,2,0,0,0,0|1,0,0]=3 568 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,2,0,0,0,0|1,0,0]=3 569 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,2,0,0,0,0|1,0,1]=4 571 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.222 CC1=C(N=CC=C1)/C(=N/O)/N BOG00017 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|1,0,0]=3 577 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,2,0,0,0,0|1,1,0]=4 579 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,2,0,0,0,0|0,0,0]=2 583 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,2,0,0,0,0|1,0,1]=4 584 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,2,0,0,0,0|1,0,1]=4 586 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.155 CC1=CC=NC(=C1)C(C)(F)F MNO000145 [0,2,0,0,0,0|1,0,1]=4 594 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.155 C[Si](C)(C)C1=NC=CC(=C1)Cl SYX00357 [0,2,0,0,0,0|1,1,0]=4 596 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.159 CC(=O)C1=NC=NC(=C1Cl)Cl PH016127 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.159 O=C(O)C1=NC=NC(=C1Cl)Cl CDS021401 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,2,0,0,0,0|1,0,0]=3 639 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.167 NC1=NC=C(N=C1C(=O)O)Br CDS020025 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,2,0,0,0,0|1,0,1]=4 656 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.74 O=C(O)C1=NC(=CC(=N1)Cl)Cl CDS009668 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.74 O=C([O-])C1=CC(=NC(=N1)O)O S603155 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,1,1,0,0|1,0,1]=4 674 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,1,1,0,0|1,0,1]=4 675 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|1,0,0]=3 676 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,1,0,1|1,0,0]=3 677 B11R2.10 CC1=N[N+]2=C(S1)N=CC=C2 S42855 [0,0,0,1,0,1|2,0,0]=4 678 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [0,0,0,1,0,1|2,0,0]=4 679 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,1|2,0,0]=4 680 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,1|1,0,0]=3 681 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [0,0,0,1,0,1|1,0,1]=4 682 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,1,0,1,0,0|2,0,0]=4 683 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|2,0,0]=4 684 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|1,0,1]=4 685 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,1,0,1,0,0|2,0,0]=4 686 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,1,0,1,0,0|2,0,0]=4 687 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|1,0,0]=3 688 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|2,0,0]=4 689 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,1,0,1,0,0|1,0,1]=4 690 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,1,0|2,0,0]=4 692 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|1,0,1]=4 693 B7R1.1 O=CC1=CNN=N1 CDS009687 [1,0,0,0,1,0|2,0,0]=4 694 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|1,0,0]=3 695 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|1,0,0]=3 696 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,2|2,0,0]=4 697 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,2|2,0,0]=4 698 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,2|2,0,0]=4 699 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,2|1,0,0]=3 700 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,2|0,0,0]=2 701 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,2|2,0,0]=4 702 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,0,0,0,0,2|2,0,0]=4 703 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,0,0,0,0,2|2,0,0]=4 704 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,2|1,0,0]=3 705 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,0,2|2,0,0]=4 706 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,2|2,0,0]=4 707 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,2|2,0,0]=4 708 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,2|2,0,0]=4 709 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,2|1,0,0]=3 710 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,2|2,0,0]=4 711 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,2|2,0,0]=4 712 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,2|1,0,0]=3 713 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,2|1,0,0]=3 714 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,2|2,0,0]=4 715 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,2|2,0,0]=4 716 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,2|2,0,0]=4 717 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,2|2,0,0]=4 718 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,2|2,0,0]=4