0 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] PH009723 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,0,0,0,0,0|2,0,0]=2 78 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 NC1=CN=C(C(=N1)Cl)Br ANV00060 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,0,0,0,0,0|3,0,0]=3 114 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,0,0,0,0,0|1,0,0]=2 124 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|0,0,0]=1 132 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|2,0,0]=3 137 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|2,0,0]=3 156 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.5 CC1=NC=CN=C1S PH014228 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,0,0,0,0,0|2,0,0]=3 161 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)Cl CBR02211 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)I ANV00173 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.22 CC1=C(C(=O)CC(=O)O1)C PH016843 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.22 CC1=NC(=NC(=C1Br)C)N S885924 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.22 CC1=NC(=NC(=C1C)C)N CBR00277 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.25 C#CC1=NC=C(C=C1C)F CDS024545 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,1,0,0,0,0|1,0,1]=3 236 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,1,0,0,0,0|0,0,1]=2 241 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,1,0,0,0,0|1,0,1]=3 272 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,1,0,0,0,0|1,0,1]=3 305 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,1,0,0,0,0|1,0,1]=3 307 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.30 OCC1=CC(=NC=C1Cl)Cl MNO000195 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,1,0,0,0,0|1,0,0]=2 321 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,1,0,0,0,0|1,0,0]=2 322 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,1,0,0,0,0|1,0,0]=2 323 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,1,0,0,0,0|0,0,0]=1 324 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.118 CC1=C(CC(=C(C1)C)C)C R158577 [0,1,0,0,0,0|1,0,2]=4 327 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,1,0,0,0,0|1,0,0]=2 332 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,1,0,0,0,0|1,0,0]=2 336 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,1,0,0,0,0|1,0,0]=2 337 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,1,0,0,0,0|1,0,0]=2 338 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.118 NC1=CC(=C(C=C1N)F)F CDS020059 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.118 NC1=NC(=C(C=C1I)Br)Cl ADE001357 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,1,0,0,0,0|1,0,0]=2 356 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,1,0,0,0,0|1,0,0]=2 359 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,1,0,0,0,0|1,0,0]=2 360 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,1,0,0,0,0|0,0,0]=1 361 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,1,0,0,0,0|1,0,0]=2 363 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.119 FC1=CC=C(C(=C1F)Br)F CDS001196 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.119 NC1=CC=C(C(=C1F)F)Br CDS022896 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.119 NC1=NC=C(C(=C1Cl)Cl)Cl PHB00294 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.119 NC1=NC=C(C(=C1I)Cl)Br ADE000793 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,1,0,0,0,0|0,0,0]=1 374 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,1,0,0,0,0|1,0,1]=3 375 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,1,0,0,0,0|1,0,0]=2 377 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,1,0,0,0,0|1,0,1]=3 379 B10R1.176 CC1=CC(=CN=C1F)C#N CDS014714 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,1,0,0,0,0|0,0,1]=2 381 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,1,0,0,0,0|1,0,0]=2 382 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,1,0,0,0,0|2,0,1]=4 406 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,1,0,0,0,0|0,0,1]=2 409 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,0,1,0,0,0|3,0,0]=4 410 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,0,1,0|3,0,0]=4 411 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,0,0,0,1,0|3,0,0]=4 412 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,0,0,0,1,0|2,0,0]=3 413 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,0,0,0,1,0|3,0,0]=4 414 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,0,0,0,1,0|3,0,0]=4 415 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,0,0,0,1,0|3,0,0]=4 416 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|3,0,0]=4 417 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,0,0,0,1,0|3,0,0]=4 418 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,0,0,0,1,0|2,0,0]=3 419 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,0,0,0,1,0|3,0,0]=4 420 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,0,0,0,1,0|3,0,0]=4 421 B7R0.3 C=C/C=C/C(C)C=C S418986 [1,0,1,0,0,0|0,0,2]=4 422 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 423 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 424 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|0,0,0]=2 425 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,0]=3 426 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 427 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|2,0,0]=4 428 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|2,0,0]=4 429 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 430 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 431 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|2,0,0]=4 432 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|1,0,0]=3 433 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|1,0,0]=3 434 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|0,0,0]=2 443 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|0,0,0]=2 450 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|0,0,0]=2 472 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|0,0,0]=2 473 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|0,0,1]=3 484 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.3 CC1=COC=C(C1=O)C T162310 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.3 NC1=CC=CC(=C1N)N S915041 [1,1,0,0,0,0|1,0,0]=3 521 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|1,0,0]=3 551 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.15 CCN1C=CC=CC1=O S683159 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.15 COC1=C(CC=CC1)C S864811 [1,1,0,0,0,0|0,0,2]=4 559 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,1,0,0,1,0|2,0,0]=4 575 B9R1.22 CCC1=C(N=C(N1)N)C PH017331 [0,1,0,0,1,0|2,0,0]=4 576 B9R1.22 CCC1=C(SC(=N1)N)C CBR01270 [0,1,0,0,1,0|2,0,0]=4 577 B9R1.22 CCN1N=C(C=C1C)N CBR00033 [0,1,0,0,1,0|2,0,0]=4 578 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,1,0,0,1,0|2,0,0]=4 579 B9R1.23 CC1=CC(=NN1C)CN CDS014686 [0,1,0,0,1,0|2,0,0]=4 580 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,1,0,0,1,0|2,0,0]=4 581 B9R1.27 CCC1=C(NN=C1C)N CBR00836 [0,1,0,0,1,0|2,0,0]=4 582 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,1,0,0,1,0|2,0,0]=4 583 B9R1.132 CCC1=NNC(=C1C)N CBR00790 [0,1,0,0,1,0|2,0,0]=4 584 B9R1.132 CCC1=NOC(=C1C)N CBR00451 [0,1,0,0,1,0|2,0,0]=4 585 B9R1.132 CCN1N=CC(=C1C)N CBR02391 [0,1,0,0,1,0|2,0,0]=4 586 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.8 COC1=CC(=CC(=C1N)Br)Cl CDS024289 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.8 NCC1=C(C(=CC(=C1)F)F)F CDS002986 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.8 OCC1=CC(=CC(=C1O)Cl)Cl S548502 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [0,2,0,0,0,0|1,0,1]=4 593 B11R1.14 COC1=CC(=C(C(=C1)Br)C)Br S310824 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C OTV000869 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.14 COC1=CC(=[N+](C(=C1)C)C)C S242047 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.14 NCC1=CC(=C(C(=C1)F)F)F CDS002863 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)Br)N R289779 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)C)C S38084 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.32 CC1=C(C(=C(C(=C1)Cl)C)C)C S35999 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.32 CC1=C(C(=C(C(=C1)O)C)C)Cl S344621 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.32 CC1=C(C(=C(C(=C1)O)Cl)C)Cl S412643 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.32 CC1=C(C(=C(C(=N1)N)Br)C)Br L163058 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.32 CC1=C(C(=O)C(=CC1=O)Cl)C R163597 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.32 CC1=C(C=C(C(=C1Br)O)Br)Br S548618 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.32 CC1=CC(=C(C(=C1Br)C)Br)C S407445 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,2,0,0,0,0|0,0,0]=2 607 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C S109738 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C S38548 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.32 CC1=CC(=O)C(=C(C1=O)Br)C R539902 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C PH006916 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.32 CC1=NC(=C(C(=C1C)C)C)C R252581 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.32 N1C(=O)C(=C(C(=C1C)C)Cl)Cl S894567 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.32 NC1=C(C(=C(C(=C1)F)F)F)F S752045 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.32 NC1=C(C=C(C(=C1Br)Cl)Br)Cl S411523 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.32 NC1=C(C=C(C(=C1Br)F)F)F R751375 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.464 CC1=CC(=C(C(=C1)C)C#N)C S445924 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.464 CC1=CC(=C(C(=C1)C)[Hg]Cl)C S880779 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [0,2,0,0,0,0|1,0,1]=4 620 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.464 CC1=CC(=NC(=C1C#N)C)N S461237 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.464 COC1=C(C=C(C=C1Cl)N)Cl PH010475 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.464 COC1=C(C=C(C=C1Cl)N)F CDS021066 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.464 FC1=CC(=C(C(=C1)F)CBr)F CDS014241 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.464 NCC1=C(C=C(C=C1F)Cl)F CDS000828 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.464 NCC1=C(C=C(C=C1F)F)F CDS001002 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [0,2,0,0,0,0|1,0,1]=4 629 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,2,0,0,0,0|0,0,1]=3 632 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,2,0,0,0,0|1,0,0]=3 645 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.37 COC1=NC=C(C=C1CO)Cl ADE000185 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,2,0,0,0,0|1,0,1]=4 649 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,2,0,0,0,0|1,0,1]=4 650 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [0,2,0,0,0,0|1,0,1]=4 651 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.81 CC1=CC=C(C(=C1)C)N=C=S S645451 [0,2,0,0,0,0|1,0,1]=4 653 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.81 CCOC1=NC=C(C=C1Br)N CDS023885 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,2,0,0,0,0|1,0,1]=4 675 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,2,0,0,0,0|1,0,1]=4 676 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.277 CC1=C(N=C(C(=C1)C#N)Cl)C CBR01490 [0,2,0,0,0,0|1,0,1]=4 681 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [0,2,0,0,0,0|1,0,1]=4 686 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.277 CCC1=C(C=C([N+](=C1)[O-])C)N S320536 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.277 COC1=C(C=C(C(=C1)F)F)F R276812 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.277 CSC1=C(C=C(C(=C1)Cl)Cl)Cl S943983 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.277 OCC1=C(C=C(C(=C1)F)F)Cl R701734 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [0,2,0,0,0,0|1,0,1]=4 696 B11R1.278 COC1=C(C(=C(C=C1)Cl)Cl)Cl R279021 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.278 COC1=C(C(=C(C=C1)F)O)Cl CDS021067 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.278 NCC1=C(C(=C(C=C1)F)F)F CDS002894 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.278 OCC1=CC=C(C(=C1F)F)F CDS003044 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.279 BrCC1=CC=C(C(=C1)Br)CBr T306096 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [0,2,0,0,0,0|0,0,2]=4 704 B11R1.279 CC1=CC(=CC=C1CBr)C#N CDS024330 [0,2,0,0,0,0|0,0,1]=3 705 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [0,2,0,0,0,0|0,0,0]=2 714 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.72 CC1=CC=C(C(=C1Cl)CBr)F CDS021694 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.72 CC1=CC=C(C(=C1F)CBr)F CDS001777 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.72 CC1=CC=C(C(=C1F)CN)F CDS001922 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.72 CCC1=C(C(=CC=C1F)O)Cl PH017290 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.72 CCC1=C(C(=CC=C1O)F)Cl PH017315 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.72 COC1=C(C(=CC=C1O)F)C PH017341 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.72 COC1=C(C=CC(=C1C)O)O L300217 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.72 COC1=C(N(C=CC1=O)C)C PH007668 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.72 NCC1=C(C(=CC=C1F)F)F CDS002581 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.72 NCC1=C(C=CC(=C1F)Cl)F CDS010757 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.72 OCC1=C(C(=CC=C1Cl)Br)F CDS024342 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.167 FC1=CC(=C(C=C1)F)C(F)F MNO000051 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,2,0,0,0,0|1,0,1]=4 739 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.182 CC1=C(C=C(C=C1)F)CC#N PH011498 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.182 CC1=CC=C(C(=C1)N=C=S)C PH011073 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.182 N#CCC1=CC(=CC=C1Cl)Cl R594105 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.280 CCC1=CC(=CC=C1N)C#N CDS000771 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.280 COC1=CC(=C(C=C1)Br)CCl PH010839 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.280 N#CC1=CC(=CC=C1F)CN PH018726 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,2,0,0,0,0|1,0,0]=3 769 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,2,0,0,0,0|0,0,0]=2 773 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [0,2,0,0,0,0|0,0,0]=2 783 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.192 CC1=CC(=CC=C1O)SC#N CDS016664 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,2,0,0,0,0|0,0,0]=2 787 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,2,0,0,0,0|0,0,0]=2 788 B11R1.192 CCC[N+]1=CC=C(C(=C1)C)C S635464 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,1,1,0,0|0,0,2]=4 791 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,0,1,1,0,0|1,0,1]=4 792 B9R1.50 O=C1C=CCCC=CC1 T182001 [0,0,1,1,0,0|1,0,1]=4 793 B9R1.50 O=C1C=CCCCC=C1 T168912 [0,0,1,1,0,0|1,0,1]=4 794 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,1,0,0|1,0,0]=3 795 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,1,0,0|1,0,0]=3 796 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,1,0,0|1,0,0]=3 797 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [0,1,0,1,0,0|2,0,0]=4 798 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,1,0,0|1,0,0]=3 799 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,1,0,0|1,0,0]=3 800 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,1,0,0|1,0,0]=3 801 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,1,0,0|1,0,0]=3 802 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,1,0,0|1,0,0]=3 803 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [0,1,0,1,0,0|2,0,0]=4 804 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,1,0,0|0,0,0]=2 805 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,1,0,0|1,0,1]=4 806 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,1,0,0|1,0,1]=4 808 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,1,0,0|0,0,0]=2 809 B11R2.36 NC1=NC2=C(C=N1)CCC2 CBR00289 [0,1,0,1,0,0|2,0,0]=4 810 B11R2.36 NC1=NC=C2CCOC2=N1 CBR00170 [0,1,0,1,0,0|2,0,0]=4 811 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [0,1,0,1,0,0|2,0,0]=4 812 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.2 CC1=CSC(=N1)N S366536 [1,0,0,0,1,0|2,0,0]=4 814 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,1,0|2,0,0]=4 815 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,0,0,0,1,0|2,0,0]=4 816 B7R1.2 CN1C=CC(=N1)N CDS013782 [1,0,0,0,1,0|2,0,0]=4 817 B7R1.4 CC1=C(C=NN1)N CBR02396 [1,0,0,0,1,0|2,0,0]=4 818 B7R1.4 CN1C=CN=C1N CBR02443 [1,0,0,0,1,0|2,0,0]=4