0 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CCN1C=CC=CC1=O S683159 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.15 COC1=C(CC=CC1)C S864811 [0,0,0,0,0,0|1,1,2]=4 21 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,0,0,0,0,0|1,1,0]=2 22 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,0,0,0,0,0|3,1,0]=4 25 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.15 OCC1=CC=CC=N1O S459240 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.15 OCC1=NC=CC=C1O R578177 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 CSC1=NC=CN=N1 SYX00362 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.5 CC1=NC=CN=C1S PH014228 [1,0,0,0,0,0|2,1,0]=4 59 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.5 FC1=CN=CN=C1S S217271 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|1,0,1]=3 66 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,1,0,0,0,0|0,1,0]=2 84 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,1,0,0,0,0|2,1,0]=4 85 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,1,0,0,0,0|1,1,0]=3 87 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,1,0,0,0,0|1,1,0]=3 88 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,1,0,0,0,0|2,1,0]=4 91 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,1,0,0,0,0|2,1,0]=4 92 B10R1.2 CSC1=NC=CC(=O)N1C S859702 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,1,0,0,0,0|1,1,0]=3 111 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,1,0,0,0,0|0,0,0]=1 113 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,1,0,0,0,0|1,1,0]=3 116 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.20 C#CC1=CC=CC=C1C#N CDS017415 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.20 COC1=CC=CC=C1NN S264407 [0,1,0,0,0,0|1,1,0]=3 132 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,1,0,0,0,0|1,1,0]=3 133 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,1,0,0,0,0|1,1,1]=4 134 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,1,0,0,0,0|2,1,0]=4 135 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,1,0,0,0,0|0,0,0]=1 137 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,1,0,0,0,0|1,1,1]=4 138 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,1,0,0,0,0|1,1,0]=3 149 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,1,0,0,0,0|1,1,0]=3 150 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,1,0,0,0,0|2,1,0]=4 151 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [0,1,0,0,0,0|2,1,0]=4 152 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,0,0,0,0|1,1,0]=3 153 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,0,0,0,0|0,1,0]=2 154 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,0,0,0,0|0,1,0]=2 155 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,1,0,0,0,0|2,1,0]=4 156 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,1,0,0,0,0|2,1,0]=4 157 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,1,0,0,0,0|2,1,0]=4 158 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,1,0,0,0,0|2,1,0]=4 159 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [0,1,0,0,0,0|2,1,0]=4 160 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,1,0,0,0,0|2,1,0]=4 161 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,1,0,0,0,0|2,1,0]=4 162 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [0,1,0,0,0,0|2,1,0]=4 163 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,1,0,0,0,0|1,1,0]=3 164 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,1,0,0,0,0|1,1,0]=3 165 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,1,0,0,0,0|2,1,0]=4 189 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,1,0,0,0,0|2,1,0]=4 190 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,1,0,0,0,0|1,1,0]=3 191 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,1,0,0,0,0|1,1,0]=3 192 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,1,0,0,0,0|1,1,0]=3 193 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,1,0,0,0,0|0,1,0]=2 194 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,1,0,0,0,0|2,1,0]=4 195 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,1,0,0,0,0|2,1,0]=4 197 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,1,0,0,0,0|2,1,0]=4 198 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,1,0,0,0,0|2,1,0]=4 199 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,1,0,0,0,0|2,1,0]=4 200 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,1,0,0,0,0|0,1,1]=3 201 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,1,0,0,0,0|1,0,0]=2 202 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|0,0,1]=2 226 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|2,1,0]=4 235 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,1,0,0,0,0|1,1,0]=3 246 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,1,0,0,0,0|1,1,0]=3 247 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,1,0,0,0,0|2,1,0]=4 248 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,1,0,0,0,0|1,1,0]=3 249 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,1,0,0,0,0|2,1,0]=4 250 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,1,0,0,0,0|3,0,0]=4 253 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,1,0,0|1,0,1]=3 254 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,1,0,0|1,0,0]=2 255 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,1,0,0|1,1,1]=4 256 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,1,0,0|2,0,1]=4 257 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,1,0,0|2,0,0]=3 258 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,1,0,0|1,0,1]=3 259 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|3,0,0]=4 260 B7R0.3 C=C/C=C/C(C)C=C S418986 [1,0,1,0,0,0|1,0,1]=4 261 B7R0.5 C=CCC(O)C(=C)C S881163 [1,0,1,0,0,0|0,0,2]=4 262 B7R0.10 C=CC(C)C(O)C=C T288918 [1,0,1,0,0,0|0,0,2]=4 263 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 264 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 265 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,0]=3 271 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,0,1]=3 274 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,0,1]=3 275 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|1,0,0]=3 276 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|1,1,0]=4 283 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|1,1,0]=4 284 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,1,0,0,0,0|1,1,0]=4 285 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|1,1,0]=4 286 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|0,0,0]=2 287 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|0,0,0]=2 288 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|1,0,0]=3 289 B9R1.1 CSC1=NC=C(C=N1)O S217581 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|1,0,1]=4 294 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|0,1,0]=3 303 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|1,1,0]=4 304 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|1,1,0]=4 305 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|1,1,0]=4 306 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|1,1,0]=4 307 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|1,1,0]=4 308 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|1,1,0]=4 309 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.2 CSC1=NC=CC(=N1)O S217336 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 CSC1=NC=CC(=N1)O S440043 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,1,0,0,0,0|0,1,0]=3 324 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,1,0,0,0,0|1,1,0]=4 332 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.8 COCC1=CC=CC=N1 S363146 [1,1,0,0,0,0|1,1,0]=4 334 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|1,1,0]=4 339 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,1,0,0,0,0|0,1,0]=3 346 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,1,0,0,0,0|0,0,0]=2 349 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,1,0,0,0,0|1,0,0]=3 352 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.3 CC1=COC=C(C1=O)C T162310 [1,1,0,0,0,0|1,0,1]=4 356 B9R1.3 CC1=NC=NC(=C1O)O S217778 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.3 NC1=CC=CC(=C1N)N S915041 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,1,0,0,0,0|0,0,0]=2 377 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,1,0,0,0,0|0,1,0]=3 380 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,1,0,0,0,0|1,1,0]=4 440 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.8 CCC1=NC(=CC(=C1O)N)C L211184 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,2,0,0,0,0|0,1,0]=3 451 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,2,0,0,0,0|1,1,0]=4 452 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,2,0,0,0,0|0,1,0]=3 459 B11R1.72 COC1=C(C(=CN=C1Br)I)O ADE000157 [0,2,0,0,0,0|1,1,0]=4 460 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,2,0,0,0,0|0,1,0]=3 461 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.265 COC1=C(C(=CC=C1)O)C=O CDS001142 [0,2,0,0,0,0|0,1,1]=4 467 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,2,0,0,0,0|0,1,1]=4 468 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,2,0,0,0,0|0,1,1]=4 469 B11R1.265 COC1=CC=CC(=C1C=O)Cl CDS021003 [0,2,0,0,0,0|0,1,1]=4 470 B11R1.265 COC1=CC=NC(=C1OC)Cl MNO000125 [0,2,0,0,0,0|1,1,0]=4 471 B11R1.265 COC1=CN=CC(=C1OC)N ADE000479 [0,2,0,0,0,0|1,1,0]=4 472 B11R1.265 COC1=NC=CC(=C1OC)I ADE000175 [0,2,0,0,0,0|1,1,0]=4 473 B11R1.267 CCC1=CC=CC(=C1Br)CC S638986 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.267 CCC1=CC=CC(=C1F)CC S567299 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.267 COC1=CC=CC(=C1C)NN PH019503 [0,2,0,0,0,0|1,1,0]=4 477 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [0,2,0,0,0,0|1,1,0]=4 478 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.278 COC1=C(C(=C(C=C1)Cl)Cl)Cl R279021 [0,2,0,0,0,0|1,1,0]=4 480 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [0,2,0,0,0,0|1,1,0]=4 481 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [0,2,0,0,0,0|1,1,0]=4 482 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,2,0,0,0,0|0,1,0]=3 483 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,2,0,0,0,0|1,1,0]=4 486 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,2,0,0,0,0|1,1,0]=4 487 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,2,0,0,0,0|1,1,0]=4 491 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,2,0,0,0,0|1,1,0]=4 492 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,2,0,0,0,0|1,1,0]=4 493 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,2,0,0,0,0|1,1,0]=4 495 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,2,0,0,0,0|1,1,0]=4 497 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,2,0,0,0,0|1,1,0]=4 498 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,2,0,0,0,0|1,1,0]=4 500 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,2,0,0,0,0|1,1,0]=4 501 B11R1.17 OCCCC1=C(C=CN=C1)O ADE000771 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.17 OCCOC1=NC=CC=C1O ADE000107 [0,2,0,0,0,0|1,1,0]=4 503 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,2,0,0,0,0|0,1,0]=3 505 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,2,0,0,0,0|1,0,1]=4 506 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.41 CCOC1=CC=CN=C1NC VBP00005 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,2,0,0,0,0|0,0,0]=2 511 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,2,0,0,0,0|1,1,0]=4 512 B11R1.41 CSC1=CC=CC=C1CC#N PH002491 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,2,0,0,0,0|1,0,1]=4 514 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,2,0,0,0,0|1,1,0]=4 515 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,2,0,0,0,0|1,1,0]=4 516 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,2,0,0,0,0|1,1,0]=4 527 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,2,0,0,0,0|1,1,0]=4 528 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,2,0,0,0,0|1,0,1]=4 534 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,2,0,0,0,0|1,0,1]=4 535 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|1,1,0]=4 550 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,2,0,0,0,0|1,1,0]=4 552 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,2,0,0,0,0|1,1,0]=4 553 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,2,0,0,0,0|1,1,0]=4 556 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [0,2,0,0,0,0|0,1,1]=4 560 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,2,0,0,0,0|1,1,0]=4 562 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,2,0,0,0,0|1,1,0]=4 563 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,2,0,0,0,0|1,1,0]=4 564 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [0,2,0,0,0,0|1,1,0]=4 565 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [0,2,0,0,0,0|1,1,0]=4 566 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [0,2,0,0,0,0|1,1,0]=4 567 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,2,0,0,0,0|0,1,0]=3 568 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,2,0,0,0,0|0,1,0]=3 569 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [0,2,0,0,0,0|1,1,0]=4 570 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [0,2,0,0,0,0|1,1,0]=4 571 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [0,2,0,0,0,0|1,1,0]=4 572 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [0,2,0,0,0,0|1,1,0]=4 573 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,2,0,0,0,0|0,1,1]=4 574 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,2,0,0,0,0|1,1,0]=4 575 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,2,0,0,0,0|0,1,0]=3 576 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,2,0,0,0,0|1,1,0]=4 577 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [0,2,0,0,0,0|1,1,0]=4 578 B11R1.37 COC1=NC=C(C=C1CO)Cl ADE000185 [0,2,0,0,0,0|1,1,0]=4 579 B11R1.53 C#CC1=CC=CC=C1B(O)O CDS023328 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,2,0,0,0,0|1,0,1]=4 581 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,2,0,0,0,0|1,0,1]=4 582 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|1,0,1]=4 586 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,2,0,0,0,0|1,1,0]=4 589 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|0,1,1]=4 590 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.53 COC1=CN=CC=C1B(O)O CDS022391 [0,2,0,0,0,0|1,1,0]=4 593 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [0,2,0,0,0,0|1,0,1]=4 594 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,2,0,0,0,0|1,1,0]=4 605 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.277 COC1=C(C=C(C(=C1)F)F)F R276812 [0,2,0,0,0,0|1,1,0]=4 616 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,2,0,0,0,0|1,1,0]=4 617 B11R1.277 CSC1=C(C=C(C(=C1)Cl)Cl)Cl S943983 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,2,0,0,0,0|0,1,0]=3 621 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,2,0,0,0,0|1,1,0]=4 623 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,2,0,0,0,0|1,1,0]=4 624 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [0,2,0,0,0,0|1,1,0]=4 625 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,2,0,0,0,0|1,1,0]=4 626 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,2,0,0,0,0|1,1,0]=4 628 B11R1.464 COC1=C(C=C(C=C1Cl)N)Cl PH010475 [0,2,0,0,0,0|1,1,0]=4 629 B11R1.464 COC1=C(C=C(C=C1Cl)N)F CDS021066 [0,2,0,0,0,0|1,1,0]=4 630 B11R1.464 COC1=C(C=C(N=C1Br)I)O ADE001318 [0,2,0,0,0,0|1,1,0]=4 631 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.280 CCC1=CC(=CC=C1N)C#N CDS000771 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [0,2,0,0,0,0|1,1,0]=4 644 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,2,0,0,0,0|1,1,0]=4 645 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,2,0,0,0,0|1,0,1]=4 649 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,2,0,0,0,0|1,0,1]=4 651 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,2,0,0,0,0|0,0,1]=3 652 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,2,0,0,0,0|1,0,1]=4 653 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,0,1,1,0,0|2,0,0]=4 661 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,1,0,0|1,0,1]=4 662 B11R2.106 BrC1=CC=CC2=NSN=C12 CDS014873 [0,1,0,1,0,0|2,0,0]=4 663 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,1,0,0|1,0,1]=4 664 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,1,0,0|1,0,1]=4 665 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,1,0,0|1,0,1]=4 666 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,1,0,1,0,0|1,0,0]=3 667 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,1,0,1,0,0|1,1,0]=4 668 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,1,0,0|1,0,0]=3 669 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,1,0,1,0,0|2,0,0]=4 670 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,1,0,0|2,0,0]=4 671 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,1,0,0|1,0,1]=4 672 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,1,0,0|1,0,1]=4 673 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,1,0,0|0,1,1]=4 674 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,1,0,1,0,0|2,0,0]=4 675 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,1,0,0|1,0,1]=4 676 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,1,0,1,0,0|2,0,0]=4 677 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,1,0,1,0,0|1,0,0]=3 678 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,1,0,1,0,0|2,0,0]=4 679 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,1,0,1,0,0|1,1,0]=4 680 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,1,0,1,0,0|2,0,0]=4 681 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,1,0,1,0,0|2,0,0]=4 682 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,1,0,1,0,0|2,0,0]=4 683 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,1,0,1,0,0|2,0,0]=4 684 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,1,0,0|1,0,1]=4 685 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|2,0,0]=4 686 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|1,0,0]=3 687 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,1,0,0|1,0,1]=4 688 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,1,0,0|2,0,0]=4 689 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,1,0,0|2,0,0]=4 690 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,1,0,0|2,0,0]=4 691 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|2,0,0]=4 692 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,1,0,0|1,0,0]=3 693 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|2,0,0]=4 694 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,1,0,1,0,0|1,0,1]=4 695 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,1,0,0|1,0,1]=4 696 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,1,0,0|1,0,1]=4 697 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,1,0,0|1,0,1]=4 698 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,1,0,0|2,0,0]=4 699 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,1,0,0|2,0,0]=4 700 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,1,0,0|2,0,0]=4 701 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,1,0,0|1,0,1]=4 702 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,1,0,0|2,0,0]=4 703 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,1,0,0|2,0,0]=4 704 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,1,0,0|1,0,0]=3 705 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,1,0,0|1,0,0]=3 706 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,1,0,0|0,1,0]=3 707 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,1,0,0|2,0,0]=4 708 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,1,0,0|1,0,1]=4 709 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,1,0|1,0,0]=3