0 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.5 CC1=NC=CN=C1S PH014228 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.5 FC1=CN=CN=C1S S217271 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [0,0,0,0,0,0|1,1,0]=2 12 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.5 NC1=CC=CC=C1O S378569 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|1,0,1]=3 35 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|1,1,0]=3 38 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|0,0,1]=2 40 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|0,1,0]=2 42 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,0|0,1,0]=2 44 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,1,0,0,0,0|0,0,0]=1 48 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,1,0,0,0,0|0,0,3]=4 50 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,1,0,0,0,0|1,1,0]=3 82 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,1,0,0,0,0|0,0,2]=3 86 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,1,0,0,0,0|0,0,1]=2 88 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.15 CCN1C=CC=CC1=O S683159 [0,1,0,0,0,0|1,0,1]=3 97 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.15 COC1=C(CC=CC1)C S864811 [0,1,0,0,0,0|0,0,2]=3 104 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,0|0,0,0]=1 117 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.15 OCC1=CC=CC=N1O S459240 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,0,0,0|0,0,0]=1 129 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,0|0,1,0]=2 132 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,1,0,0,0,0|2,1,0]=4 143 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,0|1,0,1]=3 161 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] PH009723 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,1,0,0,0,0|1,0,1]=3 179 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,1,0,0,0,0|2,0,0]=3 236 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.3 C=C/C=C/C(C)C=C S418986 [0,0,1,0,0,0|1,0,1]=3 240 B7R0.5 C=CCC(O)C(=C)C S881163 [0,0,1,0,0,0|0,0,2]=3 241 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,0,1,0,0,0|2,0,1]=4 242 B7R0.10 C=CC(C)C(O)C=C T288918 [0,0,1,0,0,0|0,0,2]=3 243 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,0,0,0,1,0|3,0,0]=4 244 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,0,0,0,1,0|3,0,0]=4 245 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,0,0,0,1,0|3,0,0]=4 246 B7R1.4 CC1=CCCC1O T295310 [0,0,0,0,1,0|0,0,3]=4 247 B7R1.4 CC1=NNC=C1I BML00217 [0,0,0,0,1,0|3,0,0]=4 248 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,0,0,0,1,0|3,0,0]=4 249 B7R1.4 CN1C=CN=C1I ANV00120 [0,0,0,0,1,0|3,0,0]=4 250 B7R1.4 CN1C=CN=C1I CDS005078 [0,0,0,0,1,0|3,0,0]=4 251 B7R1.4 CN1C=CN=C1N CBR02443 [0,0,0,0,1,0|3,0,0]=4 252 B7R1.4 CN1C=CSC1=N S945749 [0,0,0,0,1,0|3,0,0]=4 253 B7R1.4 CN1N=CC=C1Br CBR02073 [0,0,0,0,1,0|3,0,0]=4 254 B7R1.4 IC1=CSC=C1I R254975 [0,0,0,0,1,0|3,0,0]=4 255 B6R0.4 C=COCC(=C)C T284386 [1,0,1,0,0,0|1,0,1]=4 256 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [1,0,1,0,0,0|2,0,0]=4 257 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|0,0,0]=2 258 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 259 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,1,1,0,0,0|0,0,2]=4 260 B8R0.23 C=C(C)CC(O)C(=C)C S417793 [0,1,1,0,0,0|0,0,2]=4 261 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.2 C1(C=CCC=C1)CO T175528 [1,1,0,0,0,0|0,0,2]=4 264 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,1,0,0,0,0|0,0,1]=3 265 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,1,0,0,0,0|0,0,1]=3 266 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,1,0,0,0,0|0,0,1]=3 267 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.2 NCC1=CC=CC=C1 S696684 [1,1,0,0,0,0|0,0,0]=2 271 B8R1.2 NCC1=CN=CC=C1 S763780 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,1,0,0,0,0|0,0,1]=3 274 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,1,0,0,0,0|0,1,0]=3 276 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|1,0,0]=3 286 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|0,1,0]=3 292 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,1,0,0,0,0|0,0,0]=2 294 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,1,0,0,0,0|1,0,0]=3 310 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,1,0|1,0,1]=4 318 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,1,0|1,1,0]=4 321 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,1,0|1,0,1]=4 322 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.277 CC1=CC=CC(C(=O)N1)C T161365 [0,1,0,0,0,1|0,0,2]=4 324 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,2,0,0,0,0|1,0,0]=3 325 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,2,0,0,0,0|0,0,0]=2 327 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,2,0,0,0,0|1,0,0]=3 328 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,2,0,0,0,0|1,0,0]=3 330 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|0,0,0]=2 331 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,2,0,0,0,0|1,0,1]=4 345 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|1,0,0]=3 348 B10R1.2 OCC1=CC=NC(=C1F)Cl MNO000071 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,2,0,0,0,0|1,0,0]=3 352 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,2,0,0,0,0|0,0,0]=2 353 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,2,0,0,0,0|1,0,0]=3 355 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,2,0,0,0,0|0,0,0]=2 358 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,2,0,0,0,0|0,0,0]=2 359 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,2,0,0,0,0|1,0,0]=3 362 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,2,0,0,0,0|1,0,0]=3 364 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,2,0,0,0,0|1,0,0]=3 365 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,2,0,0,0,0|1,0,0]=3 366 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,2,0,0,0,0|1,0,0]=3 371 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,2,0,0,0,0|1,0,0]=3 372 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,2,0,0,0,0|0,0,0]=2 374 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,2,0,0,0,0|0,0,0]=2 375 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,2,0,0,0,0|1,0,0]=3 389 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,2,0,0,0,0|1,1,0]=4 396 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,2,0,0,0,0|1,0,1]=4 399 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,2,0,0,0,0|1,0,0]=3 403 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,2,0,0,0,0|1,0,1]=4 405 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,2,0,0,0,0|1,0,0]=3 408 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.119 FC1=CC=C(C(=C1F)Br)F CDS001196 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.119 NC1=CC=C(C(=C1F)F)Br CDS022896 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,2,0,0,0,0|1,0,0]=3 415 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,2,0,0,0,0|1,0,1]=4 417 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,2,0,0,0,0|1,0,1]=4 418 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,2,0,0,0,0|0,0,1]=3 419 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|0,0,0]=2 423 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,2,0,0,0,0|1,0,0]=3 428 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.245 OCC1=C(C=CN=C1Cl)I ADE000565 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,2,0,0,0,0|0,0,1]=3 433 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,2,0,0,0,0|1,0,1]=4 434 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,2,0,0,0,0|0,0,1]=3 435 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,2,0,0,0,0|1,0,1]=4 436 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [0,2,0,0,0,0|1,0,1]=4 440 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,2,0,0,0,0|1,0,0]=3 441 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,2,0,0,0,0|0,0,0]=2 447 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,2,0,0,0,0|0,0,0]=2 448 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,2,0,0,0,0|1,0,0]=3 451 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [0,2,0,0,0,0|1,0,0]=3 453 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,2,0,0,0,0|1,0,1]=4 454 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,2,0,0,0,0|1,0,0]=3 456 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,2,0,0,0,0|1,0,1]=4 464 B10R1.20 C#CC1=CC=CC=C1C#N CDS017415 [0,2,0,0,0,0|1,0,1]=4 465 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,2,0,0,0,0|0,0,1]=3 466 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,2,0,0,0,0|1,0,0]=3 468 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.20 COC1=CC=CC=C1NN S264407 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,2,0,0,0,0|1,0,1]=4 472 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,2,0,0,0,0|1,0,1]=4 473 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,2,0,0,0,0|0,1,0]=3 474 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,2,0,0,0,0|0,0,0]=2 475 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,2,0,0,0,0|0,1,1]=4 476 B10R1.25 C#CC1=NC=C(C=C1C)F CDS024545 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|0,0,1]=3 484 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|0,0,1]=3 485 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|0,0,0]=2 493 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|0,0,0]=2 494 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|1,0,0]=3 503 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,2,0,0,0,0|1,0,1]=4 507 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,2,0,0,0,0|1,0,1]=4 510 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,2,0,0,0,0|0,0,1]=3 515 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|0,0,0]=2 516 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|0,0,0]=2 519 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,2,0,0,0,0|0,0,1]=3 520 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|0,0,0]=2 524 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|1,0,0]=3 526 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|0,0,0]=2 527 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|0,0,0]=2 528 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|0,0,0]=2 529 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|0,0,0]=2 536 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|0,0,1]=3 543 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,2,0,0,0,0|0,0,1]=3 548 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|0,0,0]=2 555 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,2,0,0,0,0|1,0,1]=4 556 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|0,0,0]=2 558 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.30 OCC1=CC(=NC=C1Cl)Cl MNO000195 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,2,0,0,0,0|0,1,0]=3 568 B10R1.61 CC1=C(C=CC=N1)B(O)O BML00230 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,2,0,0,0,0|1,0,1]=4 570 B10R1.61 CC1=C(C=NC=C1)B(O)O BML00295 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.61 CC1=C(C=NC=C1)B(O)O CDS003860 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.61 CC1=NC=CC=C1B(O)O CDS019614 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,2,0,0,0,0|0,0,0]=2 580 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,2,0,0,0,0|0,0,0]=2 581 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,2,0,0,0,0|1,0,1]=4 583 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,2,0,0,0,0|0,0,1]=3 586 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,2,0,0,0,0|0,0,1]=3 587 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,2,0,0,0,0|1,0,1]=4 589 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,2,0,0,0,0|0,0,1]=3 590 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.61 OB(O)C1=C(C=NC=C1)F CDS007991 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.61 OB(O)C1=CN=CC=C1Cl CDS023251 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,2,0,0,0,0|0,0,1]=3 596 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,2,0,0,0,0|0,0,0]=2 615 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,2,0,0,0,0|0,0,0]=2 616 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,2,0,0,0,0|0,0,1]=3 617 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.118 NC1=CC(=C(C=C1N)F)F CDS020059 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,2,0,0,0,0|1,0,1]=4 624 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,2,0,0,0,0|1,0,0]=3 626 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|0,0,0]=2 639 B10R1.176 CC1=CC(=CN=C1F)C#N CDS014714 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|0,0,0]=2 647 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|1,1,0]=4 653 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|0,0,0]=2 654 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.8 ON=CC1=CC=CS1 S551848 [0,0,1,1,0,0|2,0,0]=4 673 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,1,0,0|0,0,2]=4 674 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,0,1,1,0,0|2,0,0]=4 675 B8R1.52 CC1(C=CC=C1)CO T236756 [0,0,1,1,0,0|0,0,2]=4 676 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,1,1,0,0|2,0,0]=4 677 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,1,1,0,0|2,0,0]=4 678 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,1,1,0,0|2,0,0]=4 679 B10R2.244 O=C1C=CC=CC2C1C2 T167126 [0,0,0,1,0,1|0,0,2]=4 680 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,1,0,1,0,0|0,1,1]=4 681 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,1,0,1,0,0|0,1,0]=3 682 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,1,0,1,0,0|0,1,1]=4 683 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,1,0,1,0,0|1,0,1]=4 684 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,1,0,1,0,0|1,0,0]=3 685 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,1,0,1,0,0|0,1,1]=4 686 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,1,0,1,0,0|0,0,1]=3 687 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 688 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|2,0,0]=4 689 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 690 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|2,0,0]=4 691 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 692 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 693 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4 694 B8R0.5 C=C(C)CC(O)/C=C/C S504947 [0,0,1,0,0,1|0,0,2]=4 695 B10R1.71 CC1=CC=CC=C(CC1)C T190071 [0,0,0,0,0,2|1,0,0]=3