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|0,0,1]=1 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|2,0,0]=2 6 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.15 CCN1C=CC=CC1=O S683159 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.15 OCC1=CC=CC=N1O S459240 [0,0,0,0,0,0|1,0,2]=3 35 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.15 OCC1=NC=CC=C1O R578177 [0,0,0,0,0,0|1,0,2]=3 37 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|1,1,0]=3 56 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,1,0,0,0,0|1,0,2]=4 85 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,1,0,0,0,0|0,0,0]=1 88 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,1,0,0,0,0|1,0,1]=3 97 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,1,0,0,0,0|1,0,2]=4 99 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,1,0,0,0,0|1,1,1]=4 100 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.20 C#CC1=CC=CC=C1C#N CDS017415 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.20 COC1=CC=CC=C1NN S264407 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,1,0,0,0,0|1,1,1]=4 119 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,1,0,0,0,0|0,1,0]=2 121 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,1,0,0,0,0|1,1,1]=4 139 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.25 NC1=NC=C(C(=N1)N)C=O CDS013913 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,1,0,0,0,0|1,0,2]=4 148 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,1,0,0,0,0|1,0,2]=4 152 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,1,0,0,0,0|1,0,1]=3 183 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,1,0,0,0,0|1,0,2]=4 189 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,1,0,0,0,0|0,0,2]=3 190 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,0,0|1,1,0]=3 197 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,0,0|0,0,0]=1 213 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,0,0|1,1,0]=3 219 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,0,0|1,0,1]=3 220 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,0,0|0,1,0]=2 222 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.245 C(=O)C1=C(C=NC=C1F)F CDS009040 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,1,0,0,0,0|1,0,2]=4 232 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,1,0,0,0,0|1,1,1]=4 236 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,1,0,0,0,0|1,0,0]=2 238 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,1,0,0|2,1,0]=4 239 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,1,0,0|2,1,0]=4 240 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,1,0,0|2,1,0]=4 241 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,1,0,0|3,0,0]=4 242 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,0,0,1,0,0|3,0,0]=4 243 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,1,0,0|3,0,0]=4 244 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,0,0,1,0,0|3,0,0]=4 245 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,1,0,0|2,0,0]=3 246 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,1,0,0|2,0,1]=4 247 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,0,0,1,0,0|3,0,0]=4 248 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,0,0,1,0,0|3,0,0]=4 249 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,1,0,0|2,1,0]=4 250 B10R2.41 ON1C2=CC=CC1C=C2 T281840 [0,0,0,1,0,0|2,0,1]=4 251 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|1,0,0]=2 252 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [0,0,0,1,0,0|1,0,2]=4 253 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,0,0,0,1,0|2,0,0]=3 254 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,0,0,0,1,0|2,0,0]=3 255 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [0,0,0,0,1,0|2,0,0]=3 256 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [0,0,0,0,1,0|2,0,0]=3 257 B7R0.3 C=C/C=C/C(C)C=C S418986 [1,0,1,0,0,0|1,0,1]=4 258 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 261 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 263 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 264 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,0]=3 265 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,1,0]=4 267 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,0,1]=3 268 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,1,0]=3 269 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|1,0,0]=3 270 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|0,1,1]=4 273 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|1,0,1]=4 281 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,0]=3 289 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|0,1,1]=4 290 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,1]=4 292 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,1]=4 297 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,1,0,0,0,0|0,1,1]=4 301 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,1,0,0,0,0|0,0,2]=4 311 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,1,0,0,0,0|0,0,0]=2 312 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,1,0,0,0,0|0,0,1]=3 314 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,1,0,0,0,0|1,0,1]=4 319 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,1,0,0,0,0|0,0,2]=4 320 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,1,0,0,0,0|0,1,1]=4 323 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,1,0,0,0,0|0,0,1]=3 325 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.3 CC1=COC=C(C1=O)C T162310 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.3 NC1=CC=CC(=C1N)N S915041 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [1,1,0,0,0,0|1,0,0]=3 341 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [1,1,0,0,0,0|1,1,0]=4 345 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,1,0,0,0,0|0,0,1]=3 348 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,1,0,0,0,0|1,0,1]=4 350 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,1,0,0,0,0|0,1,1]=4 351 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,1,0,0,0,0|1,0,1]=4 356 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,1,0,0,0,0|1,1,0]=4 370 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,1,0|2,0,0]=4 400 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,1,0,0,1,0|2,0,0]=4 401 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,1,0,0,1,0|2,0,0]=4 402 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,1,0,0,1,0|2,0,0]=4 403 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,1,0,0,1,0|2,0,0]=4 404 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,1,0,0,1,0|2,0,0]=4 405 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,1,0,0,1,0|2,0,0]=4 406 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,1,0,0,1,0|2,0,0]=4 407 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,1,0,0,1,0|2,0,0]=4 408 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,1,0,0,1,0|2,0,0]=4 409 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,1,0,0,1,0|2,0,0]=4 410 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,2,0,0,0,0|0,0,0]=2 412 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,2,0,0,0,0|0,0,2]=4 414 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,2,0,0,0,0|1,0,1]=4 417 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.72 O=CC1=C(C(=CC=C1F)Br)F CDS022691 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.72 O=CC1=C(C(=CC=C1F)O)F CDS012447 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Br)O ADE000723 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Cl)O ADE000441 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)I)O ADE000440 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.265 COC1=C(C(=CC=C1)O)C=O CDS001142 [0,2,0,0,0,0|0,0,0]=2 448 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,2,0,0,0,0|0,0,0]=2 449 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,2,0,0,0,0|0,0,0]=2 450 B11R1.265 COC1=C(C=CN=C1Br)C=O ADE000176 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.265 COC1=CC=CC(=C1C=O)Cl CDS021003 [0,2,0,0,0,0|0,0,0]=2 452 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,2,0,0,0,0|1,0,1]=4 453 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|0,0,0]=2 455 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,2,0,0,0,0|0,0,1]=3 465 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,2,0,0,0,0|0,1,1]=4 468 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,2,0,0,0,0|0,0,1]=3 476 B11R1.81 O/N=C\C1=CC=C(C=C1Cl)Cl PH008974 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,2,0,0,0,0|0,0,1]=3 479 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,2,0,0,0,0|1,0,1]=4 494 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,2,0,0,0,0|1,0,0]=3 497 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,2,0,0,0,0|0,0,0]=2 499 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,2,0,0,0,0|1,0,0]=3 501 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,2,0,0,0,0|1,0,1]=4 505 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,2,0,0,0,0|1,0,1]=4 510 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.182 O/N=C/C1=CC(=CC=C1Cl)Cl PH011150 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.182 O/N=C/C1=CC(=CC=C1O)Br PH002075 [0,2,0,0,0,0|0,0,1]=3 514 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [0,2,0,0,0,0|1,0,0]=3 515 B11R1.182 ON=CC1=CC(=CC=C1O)Cl PH003985 [0,2,0,0,0,0|0,0,1]=3 516 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,2,0,0,0,0|0,1,0]=3 522 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,2,0,0,0,0|1,1,0]=4 524 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,2,0,0,0,0|0,0,1]=3 532 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.605 O=C=NC1=C(C=CC=C1F)Cl CDS013093 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.605 ON=CC1=C(C=CC=C1Cl)Cl S531391 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [0,2,0,0,0,0|0,0,0]=2 541 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,2,0,0,0,0|1,0,1]=4 543 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,2,0,0,0,0|0,0,2]=4 544 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,2,0,0,0,0|0,0,2]=4 545 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,2,0,0,0,0|0,0,0]=2 547 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,2,0,0,0,0|1,0,1]=4 548 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,2,0,0,0,0|0,0,2]=4 549 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.37 COC1=NC=C(C=C1C=O)C ADE000766 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.37 COC1=NC=C(C=C1C=O)Cl ADE000180 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.37 N#CC1=CC(=CC=C1C=O)Br CDS003721 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.53 C#CC1=CC=CC=C1B(O)O CDS023328 [0,2,0,0,0,0|1,0,1]=4 555 B11R1.53 C(=O)C1=CC=CC=C1C(F)F MNO000206 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,2,0,0,0,0|1,0,0]=3 562 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,2,0,0,0,0|0,0,0]=2 566 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,2,0,0,0,0|1,0,1]=4 567 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [0,2,0,0,0,0|1,1,0]=4 571 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,2,0,0,0,0|0,0,0]=2 572 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|0,0,0]=2 574 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|0,0,0]=2 575 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,2,0,0,0,0|0,0,0]=2 583 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,2,0,0,0,0|1,1,0]=4 589 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,2,0,0,0,0|1,1,0]=4 590 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|0,0,0]=2 595 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,2,0,0,0,0|1,0,0]=3 596 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,2,0,0,0,0|0,0,0]=2 598 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,2,0,0,0,0|0,0,0]=2 602 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,2,0,0,0,0|0,0,0]=2 607 B11R1.277 O=CC1=CC(=C(N=C1Cl)I)Cl ADE000207 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [0,2,0,0,0,0|0,0,0]=2 612 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.464 CC1=CC(=C(C(=N1)C)C=O)C PH018796 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,2,0,0,0,0|0,0,2]=4 623 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,2,0,0,0,0|0,0,0]=2 625 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,2,0,0,0,0|0,0,0]=2 634 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,2,0,0,0,0|0,1,0]=3 637 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,2,0,0,0,0|1,0,0]=3 648 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [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|2,0,0]=4 653 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,2,0,0,0,0|0,0,0]=2 654 B11R1.280 N#CC1=CC(=C(C=C1)Cl)C=O CDS023360 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.156 NC(=S)C1=C(C=CC=C1F)F OTV000289 [0,2,0,0,0,0|1,1,0]=4 669 B11R1.156 NC1=C(C(=CC=C1)F)[N+](=O)[O-] CDS011868 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,2,0,0,0,0|0,0,0]=2 671 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,2,0,0,0,0|0,0,0]=2 672 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [0,2,0,0,0,0|0,0,0]=2 675 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.156 O=[N+]([O-])C1=C(C=CN=C1O)O R436798 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [0,2,0,0,0,0|1,0,1]=4 678 B11R2.102 O=C1OC2C=CC=CC1C2 T174262 [0,0,0,1,0,1|0,0,2]=4 679 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,1,0,0|1,0,0]=3 680 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,1,0,1,0,0|2,0,0]=4 681 B11R2.106 CC1=C2NN=CC2=CC=C1 CBR00226 [0,1,0,1,0,0|2,0,0]=4 682 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,1,0,1,0,0|2,0,0]=4 683 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [0,1,0,1,0,0|2,0,0]=4 684 B11R2.106 O=C1NC=CC2=C1OC=C2 SYX00434 [0,1,0,1,0,0|2,0,0]=4 685 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,1,0,1,0,0|2,0,0]=4 686 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,1,0,0|1,0,0]=3 687 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,1,0,0|0,0,1]=3 688 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,1,0,0|1,0,0]=3 689 B11R2.106 OC1=CC=CC2=NSN=C12 CDS006284 [0,1,0,1,0,0|1,1,0]=4 690 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,1,0,1,0,0|1,0,1]=4 691 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,1,0,1,0,0|2,0,0]=4 692 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,1,0,0|1,0,1]=4 693 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,1,0,0|2,0,0]=4 694 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,1,0,1,0,0|1,0,0]=3 695 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,1,0,0|0,1,0]=3 696 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,1,0,0|0,1,0]=3 697 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,1,0,0|0,1,0]=3 698 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,1,0,0|0,2,0]=4 699 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,1,0,1,0,0|2,0,0]=4 700 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,1,0,1,0,0|2,0,0]=4 701 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,1,0,1,0,0|2,0,0]=4 702 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,1,0,1,0,0|1,0,1]=4 703 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,1,0,1,0,0|2,0,0]=4 704 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,1,0,0|1,0,0]=3 705 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|2,0,0]=4 706 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|1,0,0]=3 707 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,1,0,0|1,0,0]=3 708 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,1,0,0|1,1,0]=4 709 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,1,0,0|1,1,0]=4 710 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,1,0,0|2,0,0]=4 711 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|1,0,0]=3 712 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,1,0,1,0,0|2,0,0]=4 713 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,1,0,0|1,0,1]=4 714 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|1,0,0]=3 715 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|0,0,0]=2 716 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,1,0,0|1,1,0]=4 717 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,1,0,0|2,0,0]=4 718 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,1,0,0|2,0,0]=4 719 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,1,0,0|1,1,0]=4 720 B11R2.36 BrC1=CN=C2C=COC2=C1 ADE001159 [0,1,0,1,0,0|2,0,0]=4 721 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [0,1,0,1,0,0|2,0,0]=4 722 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [0,1,0,1,0,0|2,0,0]=4 723 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [0,1,0,1,0,0|2,0,0]=4 724 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [0,1,0,1,0,0|2,0,0]=4 725 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [0,1,0,1,0,0|2,0,0]=4 726 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [0,1,0,1,0,0|2,0,0]=4 727 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,1,0,0|2,0,0]=4 728 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [0,1,0,1,0,0|2,0,0]=4 729 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,1,0,0|1,0,1]=4 730 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,1,0,0|1,0,1]=4 731 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,1,0,0|2,0,0]=4 732 B11R2.36 IC1=CN=C2C=COC2=C1 ADE001138 [0,1,0,1,0,0|2,0,0]=4 733 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,1,0,0|2,0,0]=4 734 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|2,0,0]=4 736 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|2,0,0]=4 737 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|2,0,0]=4