0 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.118 CC1=C(CC(=C(C1)C)C)C R158577 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,0,0,0,0,0|1,1,0]=2 13 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,0,0,0,0,0|1,1,1]=3 22 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.118 ClC1=CC(=C(N=C1Cl)Cl)Cl S812269 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.118 NC1=CC(=C(C=C1N)F)F CDS020059 [0,0,0,0,0,0|3,1,0]=4 28 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.118 NC1=NC(=C(C=C1I)Br)Cl ADE001357 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,0,0,0,0,0|2,1,1]=4 31 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,0,0,0,0,0|2,1,1]=4 32 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,0,0,0,0,0|3,1,0]=4 36 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [1,0,0,0,0,0|1,1,0]=3 41 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [1,0,0,0,0,0|1,1,0]=3 42 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [1,0,0,0,0,0|1,1,0]=3 44 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [1,0,0,0,0,0|1,1,0]=3 46 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,0,0,0,0,0|1,1,0]=3 52 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [1,0,0,0,0,0|2,1,0]=4 57 B9R1.69 CC1=CC(=CC=C1N)N S442275 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [1,0,0,0,0,0|2,1,0]=4 61 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [1,0,0,0,0,0|2,1,0]=4 62 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [1,0,0,0,0,0|2,1,0]=4 63 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [1,0,0,0,0,0|2,1,0]=4 64 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [1,0,0,0,0,0|1,1,0]=3 65 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [1,0,0,0,0,0|1,1,0]=3 66 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [1,0,0,0,0,0|0,1,0]=2 67 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [1,0,0,0,0,0|1,1,0]=3 68 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [1,0,0,0,0,0|2,1,0]=4 72 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [1,0,0,0,0,0|2,1,0]=4 76 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [1,0,0,0,0,0|1,1,0]=3 77 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [1,0,0,0,0,0|2,1,0]=4 81 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [1,0,0,0,0,0|2,1,0]=4 85 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [1,0,0,0,0,0|1,2,0]=4 100 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [1,0,0,0,0,0|2,1,0]=4 101 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [1,0,0,0,0,0|2,1,0]=4 106 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [1,0,0,0,0,0|2,1,0]=4 121 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [1,0,0,0,0,0|2,1,0]=4 124 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [1,0,0,0,0,0|2,1,0]=4 125 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [1,0,0,0,0,0|2,1,0]=4 128 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [1,0,0,0,0,0|2,1,0]=4 129 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [1,0,0,0,0,0|2,1,0]=4 132 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [1,0,0,0,0,0|2,1,0]=4 133 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [1,0,0,0,0,0|2,1,0]=4 136 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [1,0,0,0,0,0|2,1,0]=4 137 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [1,0,0,0,0,0|2,0,0]=3 139 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)Br)N R289779 [0,1,0,0,0,0|2,1,0]=4 140 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [0,1,0,0,0,0|1,1,0]=3 141 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.32 CC1=C(C(=C(C(=C1)O)Cl)C)Cl S412643 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.32 CC1=C(C(=C(N=C1Cl)Cl)Cl)Cl S894540 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.32 CC1=C(C=C(C(=C1Br)O)Br)Br S548618 [0,1,0,0,0,0|1,1,0]=3 147 B11R1.32 CC1=CC(=C(C(=C1Br)C)Br)C S407445 [0,1,0,0,0,0|2,1,0]=4 148 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [0,1,0,0,0,0|1,1,0]=3 150 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.32 CC1=NC(=C(C(=C1C)C)C)C R252581 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.32 ClC1=C(C=C(C(=C1Br)Cl)Br)Br S943134 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.32 ClC1=CC(=C(C(=C1Br)Cl)Cl)Cl S110981 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.32 ClC1=CC(=C(C(=C1Cl)Cl)Cl)Br S110868 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.32 ClC1=CC(=C(C(=C1Cl)I)Cl)Cl S824968 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.32 N1C(=O)C(=C(C(=C1C)C)Cl)Cl S894567 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.32 NC1=C(C=C(C(=C1Br)Cl)Br)Cl S411523 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.32 O=C1C=C(C(=O)C(=C1Cl)Cl)Cl PH006792 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.32 OC1=C(C(=C(C=C1Cl)Br)Cl)Cl PH005340 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Br)Cl PH005339 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.32 OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl S418676 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.32 OC1=C(C(=C(N=C1Cl)I)Cl)I ADE000193 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.32 [O-]C1=C(C=C(C(=C1Cl)Cl)Cl)Cl S614017 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.277 CC1=C(N=C(C(=C1)C#N)Cl)C CBR01490 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.277 CC1=NC(=C(C=C1F)C#N)Cl PH018114 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.277 CC1=NC(=C(N=C1CO)C)C CBR00478 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.277 COC1=C(C=C(C(=C1)F)F)F R276812 [0,1,0,0,0,0|2,1,0]=4 177 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.277 COC1=CC(=C(N=C1Cl)I)Cl ADE000197 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.277 COC1=CC(=C(N=C1I)I)O ADE000497 [0,1,0,0,0,0|2,1,0]=4 180 B11R1.277 CSC1=C(C=C(C(=C1)Cl)Cl)Cl S943983 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.277 OCC1=C(C=C(C(=C1)F)F)Cl R701734 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.277 OCC1=C(C=C(C(=N1)Cl)O)Cl ADE000182 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.277 OCC1=C(N=C(C(=C1)F)Cl)Cl MNO000043 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.35 C/C=C/C(O)C(O)/C=C/C PH000563 [0,0,1,0,0,0|1,0,2]=4 187 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,0,0,0,1,0|3,0,0]=4 188 B9R1.37 CC1=NC(=C(N1O)C)C L498734 [0,0,0,0,1,0|3,0,0]=4 189 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [1,0,1,0,0,0|2,0,0]=4 190 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|1,0,1]=4 192 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.3 NC1=CC=C(C=C1)F S414190 [2,0,0,0,0,0|1,1,0]=4 195 B8R1.3 NC1=CC=C(C=C1)N S706698 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [2,0,0,0,0,0|1,1,0]=4 199 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|1,0,1]=4 200 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 201 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.4 OC1=CC=CC(=N1)O S458678 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.5 CC1=CN=CC=C1N CDS003217 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,1,0]=4 220 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.5 O=C1NC=CC=C1Cl T161063 [2,0,0,0,0,0|1,0,1]=4 226 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|1,1,0]=4 228 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|1,1,0]=4 229 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|1,1,0]=4 230 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [1,1,0,0,0,0|1,1,0]=4 235 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [1,1,0,0,0,0|1,1,0]=4 236 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [1,1,0,0,0,0|1,1,0]=4 238 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [1,1,0,0,0,0|1,1,0]=4 239 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [1,1,0,0,0,0|1,1,0]=4 242 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [1,1,0,0,0,0|0,0,0]=2 243 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [1,1,0,0,0,0|0,1,0]=3 244 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [1,1,0,0,0,0|1,1,0]=4 245 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [1,1,0,0,0,0|1,1,0]=4 247 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [1,1,0,0,0,0|1,1,0]=4 249 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [1,1,0,0,0,0|1,1,0]=4 251 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [1,1,0,0,0,0|1,1,0]=4 261 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [1,1,0,0,0,0|1,1,0]=4 264 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|0,0,0]=2 268 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|0,0,1]=3 272 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|1,1,0]=4 280 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|1,1,0]=4 281 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,1,0,0,0,0|1,1,0]=4 283 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,1,0,0,0,0|1,1,0]=4 288 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,1,0,0,0,0|1,1,0]=4 290 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,1,0,0,0,0|1,1,0]=4 294 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|0,1,1]=4 297 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|0,1,0]=3 298 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|0,0,1]=3 302 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.30 CC1=CN=C(C(=C1)C#N)Cl ADE000761 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,1,0]=4 308 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,1,0]=4 313 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,1,0,0,0,0|1,1,0]=4 315 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,1,0,0,0,0|1,1,0]=4 317 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,1,0,0,0,0|1,1,0]=4 318 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|0,1,0]=3 319 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [1,1,0,0,0,0|1,1,0]=4 326 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [1,1,0,0,0,0|1,1,0]=4 331 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|1,1,0]=4 332 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.30 OCC1=CC(=NC=C1Cl)Cl MNO000195 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [1,1,0,0,0,0|1,1,0]=4 342 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [1,1,0,0,0,0|0,1,0]=3 348 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [1,1,0,0,0,0|1,1,0]=4 352 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|1,1,0]=4 357 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|1,1,0]=4 358 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|0,0,0]=2 361 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|1,1,0]=4 364 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|1,1,0]=4 367 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|1,1,0]=4 369 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|0,2,0]=4 371 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.176 CSC1=NC=C(C(=N1)O)Cl S217352 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [1,1,0,0,0,0|1,1,0]=4 379 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,1,0,0,0,0|0,1,1]=4 380 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [1,1,0,0,0,0|0,1,1]=4 381 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [1,1,0,0,0,0|1,1,0]=4 382 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|0,1,1]=4 384 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,1,0,0,0,0|1,1,0]=4 386 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [1,1,0,0,0,0|1,1,0]=4 389 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.14 CCC1=C(C(=C(C(=C1)O)Cl)C)Cl S349127 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.14 COC1=CC(=C(C(=C1Br)Br)C)Br S280151 [0,2,0,0,0,0|1,1,0]=4 392 B12R1.14 COC1=CC(=C(C(=C1Br)C)Br)C S292664 [0,2,0,0,0,0|1,1,0]=4 393 B12R1.14 OCC1=C(C(=C(C(=N1)Cl)O)I)Cl ADE000194 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.98 CC1=C(C(=C(C(=N1)Cl)C#N)C)C CBR01654 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.98 CC1=CC(=C(C(=C1CCl)C)O)C S947628 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.98 COC1=C(C(=C(C=C1Br)C)Br)Br S35050 [0,2,0,0,0,0|1,1,0]=4 397 B12R1.98 COC1=C(C=C(C(=C1Br)O)Br)Br S339466 [0,2,0,0,0,0|1,1,0]=4 398 B12R1.98 COC1=C(C=C(C(=C1C)C)N)C PH004606 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.705 CC1=CC(=C(C(=C1C)CCl)C)C PH017034 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.705 CCC1=C(C(=CC(=C1Cl)C)O)Cl S349119 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.3795 CC1=C(C(=C(C(=C1Br)Br)C)Cl)Cl S35190 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.3795 CC1=C(C(=C(C(=C1Br)Br)Cl)Br)Br S17869 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.3795 CC1=C(C(=C(C(=C1Br)C)C)Br)C S706760 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.3795 CC1=C(C(=C(C(=C1Br)Cl)C)Br)Cl S35034 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.3795 CC1=C(C(=C(C(=C1Br)O)Br)O)Br S676268 [0,2,0,0,0,0|1,1,0]=4 406 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)Br)C S869414 [0,2,0,0,0,0|1,1,0]=4 407 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)Br S869422 [0,2,0,0,0,0|1,1,0]=4 408 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)C S869600 [0,2,0,0,0,0|1,1,0]=4 409 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C S240931 [0,2,0,0,0,0|1,1,0]=4 410 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C S869597 [0,2,0,0,0,0|1,1,0]=4 411 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Cl)Cl)Br S111015 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Br)C)C S557641 [0,2,0,0,0,0|1,1,0]=4 413 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Cl)C)C S109703 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Br)C S38416 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)C S109606 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)C)Cl)O S345717 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)Cl)C)C S38483 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.3795 CC1=C(C(=C(C(=C1C)Cl)Cl)Cl)Cl S110175 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.3795 CC1=C(C(=C(C(=C1C)I)Br)Br)I S110035 [0,2,0,0,0,0|1,1,0]=4 420 B12R1.3795 CC1=C(C(=C(C(=C1C)I)Br)Br)I S111082 [0,2,0,0,0,0|1,1,0]=4 421 B12R1.3795 CC1=C(C(=C(C(=C1C)I)Br)Br)I S56805 [0,2,0,0,0,0|1,1,0]=4 422 B12R1.3795 CC1=C(C(=C(C(=C1Cl)Br)Br)Cl)C S35417 [0,2,0,0,0,0|1,1,0]=4 423 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)C)Cl)C R427446 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl S80072 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.3795 CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl S96939 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.3795 CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl R161284 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.3795 CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl S347418 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Br)Br)C S843881 [0,2,0,0,0,0|1,1,0]=4 429 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Br)C)Cl R539929 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)Br)Br R163422 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)C)Cl R162388 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)Cl)Cl)C R306150 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.232 CC(=O)C1=C(OC(=O)C(=C1)Cl)C S894265 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.232 CC1=C(N=C(C(=C1)C(=O)N)Cl)C CBR01585 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.232 CC1=CC(=C(C=C1Br)Cl)[N+](=O)[O-] R276979 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.232 CC1=CC(=C(C=C1Cl)C)[N+](=O)[O-] S531057 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.232 CC1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] S752096 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.232 CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl S753033 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|1,1,0]=4 453 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)O)Cl)F R548561 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.448 CC1=CC(=C(C=C1C)CCl)CCl S280097 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.448 COC1=C(C=C(C(=C1)Br)Br)OC S813826 [0,2,0,0,0,0|1,1,0]=4 457 B12R1.448 COC1=C(C=C(C(=C1)Br)I)OC S34569 [0,2,0,0,0,0|1,1,0]=4 458 B12R1.448 COC1=C(C=C(C(=C1)I)I)OC S843970 [0,2,0,0,0,0|1,1,0]=4 459 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS018619 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS019847 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.448 COC1=CC(=C(C=C1CN)F)F CDS022320 [0,2,0,0,0,0|1,1,0]=4 462 B12R1.449 CC1=CC(=C(C=C1CCl)CCl)C S407550 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.449 CC1=CC(=C(C=C1CN)CN)C PH009733 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.449 CC1=CC(=C(C=C1CS)CS)C S240753 [0,2,0,0,0,0|1,1,0]=4 465 B12R1.449 COC1=CC(=C(C=C1Cl)N)OC S458562 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.449 COC1=CC(=C(C=C1I)Cl)OC S359467 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.449 COC1=CC(=C(C=C1N)F)OC MNO000177 [0,2,0,0,0,0|1,1,0]=4 469 B12R1.450 CC1=CC(=C(C=C1CCl)C)CCl S407542 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.450 CC1=CC(=C(C=C1CN)C)CN PH004152 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.450 CC1=CC(=C(C=C1CN)C)CN S368636 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.450 COC1=C(C=C(C(=C1)C)C#N)C S447900 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.450 COC1=CC(=C(C=C1Br)OC)C R166219 [0,2,0,0,0,0|0,1,0]=3 474 B12R1.450 COC1=CC(=C(C=C1Br)SC)C PH001274 [0,2,0,0,0,0|0,1,0]=3 475 B12R1.450 COC1=CC(=C(C=C1O)OC)Br BBO000531 [0,2,0,0,0,0|1,1,0]=4 476 B12R1.450 COC1=CC(=C(N=C1Cl)CO)Cl ADE000218 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.450 COC1=CC(=O)C(=CC1=O)OC R164348 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.450 ClC1=CC(=C(C=C1CBr)Cl)CBr S943096 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.1123 CC1=CC(=C(C=C1C)CC#N)C PH011513 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.1123 CC1=CC(=C(C=C1SC#N)C)O PH007452 [0,2,0,0,0,0|1,0,1]=4 481 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,0,1,1,0,0|1,0,1]=4 482 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,0,1,1,0,0|2,0,0]=4 483 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,0,1,1,0,0|2,0,0]=4 484 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S30709 [0,1,0,1,0,0|1,1,0]=4 485 B12R2.100 CC1=CC2=N[Se]N=C2C=C1C S435325 [0,1,0,1,0,0|1,1,0]=4 486 B12R2.100 NC1=C(C=C2OCOC2=C1)Cl PH009814 [0,1,0,1,0,0|2,0,0]=4 487 B12R1.1233 CC1=C(C=CC(=C(C=C1)C)C)C T195863 [0,0,0,0,0,2|2,0,0]=4