0 B11R2.34 NC1=CN=C(C=N1)C2CC2 CDS019080 [0,1,0,0,0,0|3,0,0]=4 1 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [0,1,0,0,0,0|1,0,0]=2 2 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [0,1,0,0,0,0|1,0,0]=2 3 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,1,0,0,0,0|1,0,0]=2 4 B11R2.40 NC1(CC1)C2=CC=CN=C2 PH017220 [0,1,0,0,0,0|2,0,0]=3 5 B11R2.40 NC1(CC1)C2=CC=NC=C2 PH018491 [0,1,0,0,0,0|2,0,0]=3 6 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,1,0,0,0|2,0,0]=3 8 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,1,0,0,0|2,0,0]=3 9 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,1,0,0,0|2,0,0]=3 10 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,1,0,0,0|2,0,0]=3 11 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,1,0,0,0|0,1,0]=2 12 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,1,0,0,0|2,0,0]=3 13 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,1,0,0,0|2,0,0]=3 14 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,1,0,0,0|2,0,1]=4 15 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,1,0,0,0|2,0,1]=4 16 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,1,0,0,0|2,0,1]=4 17 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,1,0,0,0|1,0,2]=4 18 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,1,0,0,0|2,0,0]=3 19 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,1,0,0,0|3,0,0]=4 20 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,0,1,0,0,0|3,0,0]=4 21 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,0,1,0,0,0|2,0,0]=3 22 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,0,1,0,0,0|1,0,1]=3 23 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,1,0,0,0|2,0,1]=4 24 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,0,1,0,0,0|2,0,0]=3 25 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,0,1,0,0,0|3,0,0]=4 26 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,0,1,0,0,0|3,0,0]=4 27 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,0,1,0,0,0|3,0,0]=4 28 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,0,1,0,0,0|2,0,0]=3 29 B9R1.8 COCC1=CC=CC=N1 S363146 [0,0,1,0,0,0|1,0,0]=2 30 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,1,0,0,0|2,0,0]=3 31 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,1,0,0,0|2,0,0]=3 32 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,0,1,0,0,0|2,0,0]=3 33 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,0,1,0,0,0|2,0,0]=3 34 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,1,0,0,0|1,0,0]=2 35 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,0,1,0,0,0|1,0,0]=2 36 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,0,1,0,0,0|1,0,0]=2 37 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,0,1,0,0,0|1,1,0]=3 38 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,0,1,0,0,0|1,1,0]=3 39 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,0,1,0,0,0|1,1,0]=3 40 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,0,1,0,0,0|2,0,1]=4 41 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,0,1,0,0,0|2,0,1]=4 42 B9R2.2 C1=CC(=NN1)C2CC2 CDS009184 [0,0,0,0,1,0|3,0,0]=4 43 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,0,0,0,1|2,0,0]=3 44 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [0,0,0,0,0,1|3,0,0]=4 45 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,0,0,1|1,0,0]=2 46 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,0,0,0,0,1|2,0,0]=3 47 B11R2.239 C1=CN=C(N=C1)C2CNC2 PH018956 [0,0,0,0,0,1|3,0,0]=4 48 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,0,0,0,0,1|2,0,0]=3 49 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,1,0,0,0|2,0,0]=4 51 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,1,0,0,0|0,0,2]=4 52 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,1,0,0,0|0,0,2]=4 53 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,1,0,0,0|0,0,2]=4 54 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,1,0,0,0|0,0,2]=4 55 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,0,1,0,0,0|2,0,0]=4 56 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,1,0,0,0|2,0,0]=4 57 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,1,0,0,0|1,0,0]=3 58 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,1,0,0,0|2,0,0]=4 59 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,1,0,0,0|1,0,1]=4 60 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,1,0,0,0|2,0,0]=4 61 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,1,0,0,0|1,1,0]=4 62 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,1,0,0,0|1,0,1]=4 63 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,1,0,0,0|1,0,0]=3 64 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,1,0,0,0|1,0,0]=3 65 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,1,0,0,0|2,0,0]=4 66 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,1,0,0,0|2,0,0]=4 67 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,1,0,0,0|1,0,1]=4 68 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,1,0,0,0|1,0,1]=4 69 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,1,1,0,0,0|1,0,1]=4 70 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,1,1,0,0,0|1,0,1]=4 71 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,1,0,0,0|0,0,2]=4 72 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,1,0,0,0|1,0,0]=3 73 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,1,0,0,0|1,0,0]=3 74 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,1,0,0,0|2,0,0]=4 75 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,1,0,0,0|2,0,0]=4 76 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,1,0,0,0|2,0,0]=4 77 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,1,0,0,0|2,0,0]=4 78 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,1,1,0,0,0|2,0,0]=4 79 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,1,0,0,0|2,0,0]=4 80 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,1,0,0,0|1,0,1]=4 81 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,1,0,0,0|1,0,0]=3 82 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,1,0,0,0|1,0,0]=3 83 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,1,0,0,0|0,0,2]=4 84 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,1,0,0,0|1,0,0]=3 85 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,1,0,0,0|1,0,1]=4 86 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,1,0,0,0|1,0,0]=3 87 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,1,0,0,0|2,0,0]=4 88 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,1,0,0,0|1,0,0]=3 89 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,1,0,0,0|1,0,0]=3 90 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,1,0,0,0|2,0,0]=4 91 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,1,0,0,0|1,0,0]=3 92 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,1,1,0,0,0|1,0,0]=3 93 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,1,1,0,0,0|1,1,0]=4 94 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,1,1,0,0,0|2,0,0]=4 95 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,1,1,0,0,0|2,0,0]=4 96 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,1,1,0,0,0|2,0,0]=4 97 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,1,1,0,0,0|2,0,0]=4 98 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,1,0,0,0|1,0,1]=4 99 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,1,0,0,0|1,0,0]=3 100 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,1,0,0,0|1,0,0]=3 101 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,1,0,0,0|1,0,0]=3 102 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,1,0,0,0|0,0,0]=2 103 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,1,1,0,0,0|1,0,0]=3 104 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,1,0,0,0|1,0,0]=3 105 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,1,1,0,0,0|2,0,0]=4 106 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,1,0,0,0|2,0,0]=4 107 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,1,0,0,0|1,0,1]=4 108 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,1,0,0,0|1,0,0]=3 109 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,1,1,0,0,0|2,0,0]=4 110 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,1,0,0,0|1,0,1]=4 111 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,1,0,0,0|1,0,1]=4 112 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,1,0,0,0|2,0,0]=4 113 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,1,1,0,0,0|2,0,0]=4 114 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,1,0,0,0|1,0,1]=4 115 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,1,1,0,0,0|1,0,0]=3 116 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,1,1,0,0,0|1,0,0]=3 117 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,1,1,0,0,0|2,0,0]=4 118 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,1,0,0,0|1,0,0]=3 119 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,1,1,0,0,0|1,0,0]=3 120 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,1,1,0,0,0|1,0,0]=3 121 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,1,0,0,0|1,0,0]=3 122 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,1,0,0,0|1,0,0]=3 123 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,1,0,0,0|2,0,0]=4 124 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,1,1,0,0,0|2,0,0]=4 125 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,1,1,0,0,0|2,0,0]=4 126 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,1,0,0,0|2,0,0]=4 127 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,1,1,0,0,0|2,0,0]=4 128 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,1,1,0,0,0|2,0,0]=4 129 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,1,1,0,0,0|1,0,1]=4 130 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,1,1,0,0,0|2,0,0]=4 131 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,1,1,0,0,0|2,0,0]=4 132 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,1,1,0,0,0|1,0,0]=3 133 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,1,1,0,0,0|2,0,0]=4 134 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,1,1,0,0,0|2,0,0]=4 135 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,1,1,0,0,0|2,0,0]=4 136 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,1,1,0,0,0|2,0,0]=4 137 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,1,1,0,0,0|2,0,0]=4 138 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,1,1,0,0,0|2,0,0]=4 139 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,1,1,0,0,0|1,0,0]=3 140 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,1,1,0,0,0|2,0,0]=4 141 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,1,1,0,0,0|0,0,0]=2 142 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,1,1,0,0,0|0,1,0]=3 143 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,1,1,0,0,0|0,1,0]=3 144 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,1,1,0,0,0|1,0,0]=3 145 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,1,1,0,0,0|2,0,0]=4 146 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,1,1,0,0,0|1,0,1]=4 147 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,1,1,0,0,0|1,0,1]=4 148 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,1,1,0,0,0|1,0,1]=4 149 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,1,1,0,0,0|1,0,1]=4 150 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,1,1,0,0,0|2,0,0]=4 151 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,1,1,0,0,0|1,0,0]=3 152 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,1,1,0,0,0|2,0,0]=4 153 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,1,1,0,0,0|2,0,0]=4 154 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,1,1,0,0,0|2,0,0]=4 155 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,1,1,0,0,0|2,0,0]=4 156 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,1,1,0,0,0|1,0,0]=3 157 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,1,1,0,0,0|2,0,0]=4 158 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,1,1,0,0,0|0,0,0]=2 159 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,1,1,0,0,0|0,1,0]=3 160 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,1,1,0,0,0|1,0,0]=3 161 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,1,1,0,0,0|2,0,0]=4 162 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,1,1,0,0,0|2,0,0]=4 163 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,1,1,0,0,0|2,0,0]=4 164 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,1,1,0,0,0|1,0,1]=4 165 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,1,1,0,0,0|1,0,0]=3 166 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,1,0,0,0|0,0,2]=4 167 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,1,1,0,0,0|0,0,2]=4 168 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,1,1,0,0,0|2,0,0]=4 169 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,1,1,0,0,0|2,0,0]=4 170 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,1,1,0,0,0|2,0,0]=4 171 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,1,1,0,0,0|1,0,0]=3 172 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,1,1,0,0,0|2,0,0]=4 173 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,1,1,0,0,0|2,0,0]=4 174 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,1,1,0,0,0|2,0,0]=4 175 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,1,1,0,0,0|2,0,0]=4 176 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,1,1,0,0,0|2,0,0]=4 177 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,1,1,0,0,0|1,0,0]=3 178 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,1,1,0,0,0|0,1,0]=3 179 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,1,1,0,0,0|1,0,0]=3 180 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,1,1,0,0,0|1,0,1]=4 181 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,1,1,0,0,0|2,0,0]=4 182 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,1,1,0,0,0|2,0,0]=4 183 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,1,1,0,0,0|1,0,1]=4 184 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,1,1,0,0,0|1,0,1]=4 185 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,1,1,0,0,0|0,0,2]=4 186 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,1,1,0,0,0|1,0,1]=4 187 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,1,1,0,0,0|1,0,1]=4 188 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,1,1,0,0,0|1,0,0]=3 189 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,1,1,0,0,0|1,0,0]=3 190 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,1,1,0,0,0|1,0,1]=4 191 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,1,1,0,0,0|1,0,1]=4 192 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,1,1,0,0,0|0,0,2]=4 193 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,1,1,0,0,0|1,0,1]=4 194 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,1,1,0,0,0|1,0,1]=4 195 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,1,1,0,0,0|2,0,0]=4 196 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,1,1,0,0,0|2,0,0]=4 197 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,1,1,0,0,0|2,0,0]=4 198 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,1,1,0,0,0|2,0,0]=4 199 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,1,1,0,0,0|1,0,0]=3 200 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,1,1,0,0,0|0,1,1]=4 201 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,1,1,0,0,0|1,1,0]=4 202 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,1,1,0,0,0|2,0,0]=4 203 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,1,1,0,0,0|2,0,0]=4 204 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,1,1,0,0,0|1,0,1]=4 205 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,1,1,0,0,0|1,0,0]=3 206 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,1,1,0,0,0|2,0,0]=4 207 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,1,1,0,0,0|2,0,0]=4 208 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,1,1,0,0,0|1,0,0]=3 209 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,1,1,0,0,0|2,0,0]=4 210 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,1,1,0,0,0|1,0,0]=3 211 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,1,1,0,0,0|2,0,0]=4 212 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,1,1,0,0,0|2,0,0]=4 213 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,1,1,0,0,0|2,0,0]=4 214 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,1,1,0,0,0|2,0,0]=4 215 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,1,1,0,0,0|2,0,0]=4 216 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,1,1,0,0,0|1,0,0]=3 217 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,1,1,0,0,0|1,0,0]=3 218 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,1,1,0,0,0|2,0,0]=4 219 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,1,1,0,0,0|1,0,0]=3 220 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,1,1,0,0,0|1,0,1]=4 221 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,1,1,0,0,0|1,0,1]=4 222 B12R2.225 IC1=CC=CN=C1NC2CC2 PH017737 [0,1,0,0,0,1|2,0,0]=4 223 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,1,0,0,0,1|1,0,0]=3 224 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 CBR00500 [0,1,0,0,0,1|2,0,0]=4 225 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [0,1,0,0,0,1|2,0,0]=4 226 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,0,0,1|1,0,0]=3 227 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [0,1,0,0,0,1|1,0,0]=3 228 B12R2.2313 NC1=CC(=CC=N1)C2CCC2 CDS019075 [0,1,0,0,0,1|2,0,0]=4 229 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,2,0,0,0,0|1,0,0]=3 230 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,2,0,0,0,0|1,0,0]=3 231 B12R2.290 CC1=CC=C(C=C1)C2(CC2)N CBR00914 [0,2,0,0,0,0|1,0,0]=3 232 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br CDS022491 [0,2,0,0,0,0|1,0,0]=3 233 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl OTV000620 [0,2,0,0,0,0|1,0,0]=3 234 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F OTV000627 [0,2,0,0,0,0|1,0,0]=3 235 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F TMT00304 [0,2,0,0,0,0|1,0,0]=3 236 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [0,2,0,0,0,0|1,0,0]=3 237 B12R2.1282 NC1(CC1)C2=CC=CC(=C2)Cl CBR00915 [0,2,0,0,0,0|1,0,0]=3 238 B12R2.1316 OC1=CC=C(C=C1C2CC2)F PH017223 [0,2,0,0,0,0|1,0,0]=3 239 B12R2.48 N#CC1(CC1)C2=CC=CC=C2 PH000032 [0,2,0,0,0,0|1,0,0]=3 240 B12R2.48 NCC1(CC1)C2=CC=CC=C2 CDS007962 [0,2,0,0,0,0|1,0,0]=3 241 B12R2.88 CC1=CC=CC=C1C2(CC2)N CBR00919 [0,2,0,0,0,0|1,0,0]=3 242 B12R2.88 NC1(CC1)C2=CC=CC=C2Cl CBR00918 [0,2,0,0,0,0|1,0,0]=3 243 B12R2.2048 COC1=C(C=CC=C1)C2CC2 L168610 [0,2,0,0,0,0|1,0,0]=3 244 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,1,1,0,0|0,0,2]=4 245 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,1,1,0,0|1,1,0]=4 246 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,1,1,0,0|1,0,0]=3 247 B10R2.244 O=C1C=CC=CC2C1C2 T167126 [0,0,1,1,0,0|2,0,0]=4 248 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,0,1,0,1,0|2,0,0]=4 249 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,0,1,0,1,0|2,0,0]=4 250 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,0,1,0,1,0|2,0,0]=4 251 B8R1.8 CCCN1C=CC=C1 PH010280 [0,0,1,0,1,0|2,0,0]=4 252 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,0,1,0,1,0|2,0,0]=4 253 B8R1.8 CNCC1=CC=CS1 PH012021 [0,0,1,0,1,0|2,0,0]=4 254 B8R1.8 CNCC1=CSC=C1 PH015792 [0,0,1,0,1,0|2,0,0]=4 255 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,0,1,0,1,0|2,0,0]=4 256 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,0,1,0,1,0|1,0,0]=3 257 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,0,1,0,1,0|2,0,0]=4 258 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 CBR02374 [0,0,0,0,0,2|2,0,0]=4 259 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,0,0,0,0,2|1,0,0]=3 260 B12R2.2057 C1=CN=CC(=C1)CNC2CC2 CBR02375 [0,0,0,0,0,2|2,0,0]=4 261 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [0,0,0,0,0,2|2,0,0]=4 262 B12R2.2 C1=CC(=CC=N1)C2OCCO2 PH000070 [0,0,0,0,0,2|1,0,0]=3 263 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,0,0,0,0,2|0,0,2]=4 264 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,0,0,0,0,2|1,0,1]=4 265 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,0,0,0,0,2|0,0,2]=4 266 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,0,0,0,0,2|0,0,2]=4 267 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,0,0,0,0,2|1,0,0]=3 268 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,0,0,0,0,2|1,0,0]=3 269 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,0,0,0,0,2|0,1,0]=3 270 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,0,0,0,0,2|0,0,0]=2 271 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,0,0,0,0,2|1,0,0]=3 272 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [0,0,0,0,0,2|2,0,0]=4