0 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 COC(=O)C1CC=CCC1 EME00035 [0,0,0,0,0,0|0,0,4]=4 18 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,0,0|0,1,0]=1 21 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|0,1,1]=3 37 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|0,0,2]=3 47 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|0,0,1]=2 48 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|1,0,1]=3 60 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.12 COB(OC)C1=NC=CC=C1 SYX00391 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|0,1,0]=2 89 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,1,0,0,0,0|0,1,0]=2 95 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,0,0|1,0,2]=4 145 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.36 CN(C)C(=S)C1=CC=NC=C1 PH007726 [0,1,0,0,0,0|2,1,0]=4 187 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,0,0|1,1,0]=3 199 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,0,0,0,0|2,0,0]=3 211 B9R0.8 C=CCOC(=O)C(=O)OC PH008416 [0,0,1,0,0,0|2,0,1]=4 212 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,0,1,0,0,0|0,0,2]=3 213 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|3,0,0]=4 221 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|1,0,0]=2 222 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|1,0,0]=2 223 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,1,0]=4 224 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,0,0,0,1,0|2,0,0]=3 227 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,0,0,0,1|2,0,1]=4 230 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,1|1,0,0]=2 231 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,1|2,0,1]=4 232 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,1|3,0,0]=4 233 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,0,1|1,1,0]=3 234 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,1|1,0,0]=2 235 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,0,0,0,1|0,0,1]=2 236 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,0,1|1,0,0]=2 237 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,0,1|1,0,0]=2 238 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,0,0,0,1|1,0,0]=2 239 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,0,0,0,0,1|2,0,0]=3 240 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,0,1|0,0,0]=1 241 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,0,0,0,0,1|1,0,0]=2 242 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,0,0,0,1|1,1,0]=3 243 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,0,0,0,1|0,2,0]=3 244 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,0,0,0,0,1|1,2,0]=4 245 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,0,1|3,0,0]=4 246 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,0,1|3,0,0]=4 247 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,0,1|2,0,0]=3 249 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,0,1|1,0,0]=2 251 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,1|2,0,0]=3 252 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [0,0,0,0,0,1|1,0,0]=2 253 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [1,0,1,0,0,0|0,0,2]=4 254 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,1]=3 257 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,1]=3 258 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,1]=3 259 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 262 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 265 B10R0.57 COC(=O)/C(=C\C=C(Cl)Cl)/Br S893714 [0,1,1,0,0,0|2,0,0]=4 266 B10R0.55 C(=C/C(=O)OC)\CCC(=C)C T252778 [0,1,1,0,0,0|0,0,2]=4 267 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [0,1,1,0,0,0|1,0,0]=3 268 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 290 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|0,0,1]=3 292 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,1,0,0,0,0|1,1,0]=4 302 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|0,0,2]=4 314 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 315 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|0,0,1]=3 334 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|0,2,0]=4 339 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|1,1,0]=4 348 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|0,1,1]=4 390 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|0,1,1]=4 391 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|0,1,1]=4 401 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|0,1,1]=4 408 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|0,1,0]=3 419 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,1,0,0,1,0|1,0,0]=3 428 B10R1.11 CCOC(=O)C1=CNC=N1 CVT00042 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.14 CCC(=O)C1=CC=C(S1)Br CBR01166 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,1,0|1,0,0]=3 432 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,1,0|1,0,0]=3 433 B10R1.14 COC(=O)C1=CN=C(S1)Cl SYX00302 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.14 COC(=O)C1=CN=C(S1)N PH011707 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.14 COC(=O)C1=COC(=N1)Cl SYX00378 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.14 COC(=O)C1=COC(=N1)N SYX00318 [0,1,0,0,1,0|2,0,0]=4 437 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.14 COC(=O)C1=CSC(=N1)Cl SYX00303 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.14 COC(=O)C1=NC(=CS1)Br PHB00113 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.14 COC(=O)C1=NOC(=C1)C EME00018 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.23 CN(C)C(=O)C1=CC=CO1 PH008437 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.149 COC(=O)C1=C(ON=C1)N CBR01090 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.149 COC(=O)C1=C(SC=N1)Br SYX00326 [0,1,0,0,1,0|2,0,0]=4 444 B10R1.149 COC(=O)C1=C(SC=N1)C SYX00155 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.149 COC(=O)C1=NNC=C1C S940550 [0,1,0,0,1,0|2,0,0]=4 447 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,1,0,0,0,1|1,0,0]=3 448 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,1,0,0,0,1|1,1,0]=4 450 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,1,0,0,0,1|1,0,0]=3 451 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,1,0,0,0,1|1,0,0]=3 452 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,1,0,0,0,1|0,0,0]=2 453 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,1,0,0,0,1|1,0,0]=3 454 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,1,0,0,0,1|1,0,0]=3 455 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,1,0,0,0,1|0,0,0]=2 456 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,1,0,0,0,1|0,1,0]=3 457 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,1,0,0,0,1|1,0,1]=4 458 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,1,0,0,0,1|1,0,1]=4 459 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,1,0,0,0,1|1,0,0]=3 460 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,1,0,0,0,1|2,0,0]=4 461 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,1,0,0,0,1|1,0,0]=3 463 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,1|1,0,1]=4 464 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,0,0,0,1|1,0,1]=4 465 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,1,0,0,0,1|1,0,0]=3 466 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,1,0,0,0,1|1,0,0]=3 467 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,1,0,0,0,1|2,0,0]=4 468 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,1,0,0,0,1|2,0,0]=4 469 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,1,0,0,0,1|2,0,0]=4 470 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,1,0,0,0,1|0,0,0]=2 472 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,1,0,0,0,1|0,0,0]=2 473 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,1,0,0,0,1|0,0,0]=2 474 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,1,0,0,0,1|0,0,0]=2 475 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,1,0,0,0,1|1,0,0]=3 476 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [0,1,0,0,0,1|1,0,0]=3 478 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,1,0,0,0,1|1,0,0]=3 479 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [0,1,0,0,0,1|1,0,0]=3 480 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,1|1,0,0]=3 481 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,1,0,0,0,1|1,0,0]=3 482 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,0,0,0,1|1,0,0]=3 483 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PH016102 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.43 CN(C)C(=S)NC1=CC=CC=C1 S347302 [0,1,0,0,0,1|1,1,0]=4 485 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,1,0,0,0,1|1,1,0]=4 486 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,0,1|1,0,0]=3 489 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,0,1|1,0,0]=3 490 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,0,1|1,0,0]=3 491 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,0,1|1,0,0]=3 492 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,0,1|1,0,0]=3 493 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,1|1,0,0]=3 494 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,1,0,0,0,1|1,1,0]=4 495 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,1|1,0,0]=3 496 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,1|1,0,0]=3 498 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,1|1,0,0]=3 500 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,1|1,0,0]=3 501 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,1|1,0,0]=3 502 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,1,0,0,0,1|1,1,0]=4 503 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,1,0,0,0,1|1,1,0]=4 504 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,1,0,0,0,1|1,1,0]=4 505 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,1,0,0,0,1|1,1,0]=4 506 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,1,0,0,0,1|1,1,0]=4 507 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,1|0,0,0]=2 508 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,1|0,0,0]=2 509 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,1|0,0,0]=2 510 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,1,0,0,0,1|1,0,0]=3 511 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,0,1|0,0,0]=2 513 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,0,1|0,0,0]=2 514 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,1,0,0,0,1|1,1,0]=4 515 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,0,1|1,0,0]=3 531 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,1|1,0,0]=3 533 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,1|1,0,0]=3 534 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,1|1,0,0]=3 535 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,1|1,0,0]=3 536 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,1|1,1,0]=4 537 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,1,0,0,0,1|1,1,0]=4 538 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,1|0,0,0]=2 539 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,0,1|0,0,0]=2 540 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,1,0,0,0,1|1,1,0]=4 545 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,1,0,0,0,1|0,0,2]=4 546 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,1|1,0,0]=3 555 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,1|1,0,0]=3 556 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,1,0,0,0,1|1,1,0]=4 557 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,1,0,0,0,1|1,1,0]=4 558 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,1|0,0,0]=2 559 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,1|0,0,0]=2 560 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,1|0,0,0]=2 561 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,1,0,0,0,1|1,0,0]=3 562 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,0,1|0,0,0]=2 563 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,0,1|0,0,0]=2 564 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.1564 CCOC(=O)N1C=CC=CC=C1 T281778 [0,1,0,0,0,1|1,0,0]=3 574 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826154 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)Cl TMT00215 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)F PH003114 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.9 CSS(=O)(=O)C1=CC=C(C=C1)C S765090 [0,2,0,0,0,0|1,1,0]=4 578 B12R1.9 NC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826138 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.10 CNS(=O)(=O)C1=CC=CC(=C1)Cl T322571 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 CDS008511 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 PH011695 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.195 CNS(=O)(=O)C1=C(C=CC=C1)C PH000617 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.12 CC/C(=N\O)/C1=CC=C(C=C1)Cl PH007820 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.12 CO[Bi](OC)C1=CC=C(C=C1)Cl S839809 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.13 COC(OC)C1=CC=CC(=C1)N PH002938 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.243 CCN(N=O)C1=CC=CC=C1C PH007144 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|0,0,1]=3 602 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,2,0,0,0,0|0,0,1]=3 603 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,2,0,0,0,0|0,0,1]=3 605 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl EME00413 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.16 N#CSC(=O)C1=CC=C(C=C1)Cl PH008446 [0,2,0,0,0,0|0,1,1]=4 620 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.16 O=C(N=C=S)C1=CC=C(C=C1)Br PH000411 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.17 CCNC(=O)C1=CC=CC(=N1)Br PH018909 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.17 CCNC(=O)C1=NC(=CC=C1)F PH018644 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.17 CCOC(=O)C1=CC(=NC=N1)N PH017297 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.17 CO/N=C(\C)/C1=C[N+](=CC=C1)[O-] PH009197 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,2,0,0,0,0|0,0,0]=2 636 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [0,2,0,0,0,0|0,1,0]=3 640 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 S382787 [0,2,0,0,0,0|0,1,1]=4 643 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CDS014760 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [0,2,0,0,0,0|0,1,0]=3 645 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [0,2,0,0,0,0|0,1,0]=3 646 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [0,2,0,0,0,0|0,0,0]=2 651 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [0,2,0,0,0,0|1,1,0]=4 652 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,2,0,0,0,0|0,0,0]=2 657 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 S187364 [0,2,0,0,0,0|0,1,1]=4 659 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|0,0,1]=3 661 B12R1.308 CC1=C(C=CC=C1)C(=O)NC#N R573671 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.308 CC1=CC=CC=C1C(=O)CC#N JRD0744 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl VBP00047 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,2,0,0,0,0|0,0,0]=2 666 B12R1.308 CCOC(=O)C1=C(N=CN=C1)Cl CDS020986 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.308 CCOC(=O)C1=C(N=NC=C1)O CDS021208 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1C R179035 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F PH005130 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,2,0,0,0,0|0,0,0]=2 680 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.5 N#CC1=CC=C(C=C1)C(=O)N[O-] S302767 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,2,0,0,0,0|0,0,0]=2 687 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)Cl CBR00393 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.20 O=C(C1=CC=C(C=C1)Br)C(Br)Br S356298 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.20 O=C(C1=CC=C(C=C1)Cl)C(Cl)Cl S766674 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,2,0,0,0,0|0,0,0]=2 711 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.367 O=C(CBr)C1=CC(=C(C=C1)F)Cl L446610 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.367 O=C(CBr)C1=CC=C(C(=C1)F)F CDS016555 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|0,0,0]=2 727 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|0,0,0]=2 728 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|0,0,0]=2 729 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|0,0,0]=2 730 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|0,0,0]=2 731 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|0,0,0]=2 734 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.1703 COC(=O)C1=CN=C(N=C1Cl)N PH017879 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.1703 COC(=O)C1=NC=C(N=C1Cl)N PH018846 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|0,0,0]=2 747 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|0,0,0]=2 748 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,2,0,0,0,0|0,0,0]=2 750 B12R1.24 O=C(CBr)C1=CC=CC(=C1F)F PH014660 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)Br EME00401 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)Cl PH008997 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)N OTV000592 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|0,0,0]=2 764 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|0,0,0]=2 765 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)F ADE000416 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.354 COC(=O)C1=NC(=CN=C1Br)Br PHB00228 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.354 COC(=O)C1=NC(=CN=C1Br)Cl PHB00310 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.354 COC(=O)C1=NC(=CN=C1N)Cl T316652 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.358 COC(=O)C1=CC(=CC(=O)O1)C T310018 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.358 COC(=O)C1=NC(=NC(=C1)C)O JRD0865 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.358 O=C(CBr)C1=CC(=CC(=C1)F)F PH016240 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.435 CNC(=O)C1=CC(=CC=C1)C#N EME00411 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,2,0,0,0,0|0,0,0]=2 787 B12R1.435 COC(=O)C1=CC=CC(=N1)CBr CDS021944 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.435 COC(=O)C1=CC=CC(=N1)CN CDS022894 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CDS013717 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CDS020037 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.564 O=C(C1=CC=CC=C1)C(Cl)(Cl)Cl PH002344 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.77 CNC(=S)C1=CC=CC=C1NC PH007472 [0,2,0,0,0,0|1,1,0]=4 799 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.77 COC(=O)C1=C(C=CC=C1)SC PH011017 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.77 COC(=O)C1=CC=CC=C1C#N S445398 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [0,2,0,0,0,0|0,0,0]=2 803 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.3441 COC(=O)C1=C(C=CC=C1N)F CDS021736 [0,2,0,0,0,0|0,0,0]=2 806 B12R1.3441 COC(=O)C1=C(C=CN=C1Cl)I ADE000251 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.3441 O=C(CBr)C1=C(C=CC=C1F)F PH016145 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,1,1,0,0|1,0,0]=3 809 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,0]=2 810 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,1,0,1|2,0,0]=4 811 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,1,0,1|2,0,0]=4 812 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,1,0,1|2,0,0]=4 813 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,1,0,1|2,0,0]=4 814 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,1,0,1|2,0,0]=4 815 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,0,1|1,0,0]=3 816 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,1,0,1|1,1,0]=4 817 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,0,0,1,0,1|2,0,0]=4 818 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,1,0,1|2,0,0]=4 819 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,0,1|2,0,0]=4 820 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,0,1|2,0,0]=4 821 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,1|2,0,0]=4 823 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|2,0,0]=4 824 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|2,0,0]=4 825 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,1|1,1,0]=4 826 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,1|1,1,0]=4 827 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,0,0,1,0,1|1,1,0]=4 828 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,0,0,1,0,1|0,1,1]=4 829 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,0,0,1,0,1|1,1,0]=4 830 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,1,0,1,0,0|1,0,0]=3 831 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,1,0,1,0,0|1,1,0]=4 832 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,1,0,1,0,0|1,1,0]=4 833 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,1,0,1,0,0|1,0,1]=4 834 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,1,0,1,0,0|1,0,1]=4 836 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|0,1,1]=4 838 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|1,0,1]=4 840 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|0,0,0]=2 844 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|0,0,0]=2 845 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,1,0,0|0,0,1]=3 846 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,1,0,0|1,0,0]=3 848 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|0,0,0]=2 850 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|1,1,0]=4 851 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|0,1,1]=4 852 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|1,0,1]=4 853 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 CBR00500 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|0,0,0]=2 856 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|1,0,0]=3 857 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|1,0,0]=3 858 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|0,0,0]=2 860 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|1,0,0]=3 861 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|1,0,0]=3 863 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,0,0]=3 864 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|0,0,0]=2 865 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,0]=3 866 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [1,0,0,0,1,0|2,0,0]=4 867 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|2,0,0]=4 868 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|1,0,0]=3 869 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,1,0|2,0,0]=4 870 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,1,0|2,0,0]=4 871 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,1,0|2,0,0]=4 872 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,1,0|2,0,0]=4 873 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,1,0|2,0,0]=4 874 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,1,0|2,0,0]=4 875 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,0,2|1,0,0]=3 876 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,0,2|1,0,0]=3 877 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,0,0,0,0,2|1,0,0]=3 878 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,0,0,0,2|1,0,0]=3 879 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,0,2|2,0,0]=4 880 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,0,0,0,2|1,1,0]=4 881 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,0,0,0,0,2|1,1,0]=4 882 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,0,0,0,2|1,0,0]=3 883 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,0,2|0,0,0]=2 884 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,0,2|0,2,0]=4 885 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,0,2|2,0,0]=4 886 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,0,2|2,0,0]=4 887 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,0,2|2,0,0]=4 888 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,0,0,0,0,2|2,0,0]=4 889 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,0,0,0,0,2|2,0,0]=4