0 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.107 O=S([O-])OC(O)C1=NC=CC=C1 R396281 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [1,0,0,0,0,0|1,1,1]=4 18 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [1,0,0,0,0,0|0,0,2]=3 27 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,0|2,1,0]=4 44 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,0|2,1,0]=4 45 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|2,0,0]=3 53 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 PH010030 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.11 CC(NC(=O)CI)C1=CC=CC=C1 L318957 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.11 C[C@H](NC(=O)NN)C1=CC=CC=C1 T186848 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.147 NC(CC(=O)O)C1=CC=CC(=C1)Cl PH006840 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.152 O=C(Cl)C(Br)C(Br)C1=CC=CC=C1 S675954 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 S657409 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.347 CC(=O)NS(=O)(=O)C1=CC=CC=C1 PH008266 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 S319104 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 S825093 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 PH005091 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.713 C=CC(OC(=O)C)C1=CC=CC=C1 S877182 [0,1,0,0,0,0|0,0,1]=2 89 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 PH014391 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.713 CCN(NC(=O)C)C1=CC=CC=C1 PH007155 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.713 COC(CS(=O)C)C1=CC=CC=N1 PH013763 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.10 CC1=NC=C(O1)C2=CC=CC=C2 PH010637 [0,0,0,1,0,0|1,0,2]=4 94 B13R2.10 CC1=NNC(C1)C2=CC=CC=C2 PH013767 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S301604 [0,0,0,1,0,0|1,0,1]=3 96 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S554243 [0,0,0,1,0,0|1,0,1]=3 97 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.10 O=C1NN=C(O1)C2=CC=CC=C2 S392367 [0,0,0,1,0,0|2,0,1]=4 99 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,1,0,0|1,2,0]=4 100 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,0,0,1,0,0|2,0,1]=4 101 B13R2.382 C=C1CC1C(O)C2=CC=CC=C2 L168629 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.12159 C[C@H]1NS(=O)(=O)C2=CC=CC=C12 PH016430 [0,0,0,1,0,0|3,0,0]=4 105 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,0,0,0,1,0|1,0,1]=3 106 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,0,0,0,1,0|1,0,1]=3 107 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,0,0,0,1,0|1,0,1]=3 108 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,0,0,1,0|0,0,0]=1 109 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,0,0,1,0|1,0,0]=2 110 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,0,0,1,0|1,0,0]=2 112 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,0,0,0,1,0|1,0,1]=3 113 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,0,0,0,1,0|2,0,1]=4 114 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,0,0,0,1,0|2,0,0]=3 115 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,0,0,0,1,0|0,0,2]=3 116 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,0,0,0,1,0|0,0,2]=3 117 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,0,0,0,1,0|0,0,2]=3 118 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,0,0,0,1,0|0,0,2]=3 119 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,0,0,0,1,0|0,0,2]=3 120 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,0,0,0,1,0|0,0,2]=3 121 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,0,0,0,1,0|2,0,0]=3 123 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,0,0,0,1,0|3,0,0]=4 127 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,0,0,0,1,0|0,0,2]=3 128 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,0,0,0,0,1|2,0,1]=4 129 B13R1.45 CC(=O)N/N=C(\C)/C1=CC=CC=C1 PH009310 [0,0,0,0,0,1|1,0,1]=3 130 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,0,0,0,0,1|2,0,1]=4 131 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,0,0,0,0,1|1,0,1]=3 132 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [0,0,0,0,0,1|0,0,0]=1 133 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,0,0,0,0,1|2,0,0]=3 134 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PH011402 [0,0,0,0,0,1|2,0,1]=4 135 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,0,0,0,0,1|2,0,1]=4 136 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,0,0,0,0,1|2,0,1]=4 137 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,0,0,0,0,1|2,0,1]=4 138 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,0,0,0,0,1|2,1,0]=4 139 B13R1.348 CC(CN(C)C)OC1=CC=CC=C1 PH012058 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [2,0,0,0,0,0|0,0,2]=4 143 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|1,0,1]=4 144 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|2,0,0]=4 153 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.16 C[C@@H](N=C=O)C1=CC=C(C=C1)F CDS019968 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.16 C[C@H](N=C=O)C1=CC=C(C=C1)F CDS019969 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,1,0,0,0,0|0,0,1]=3 159 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [1,1,0,0,0,0|1,1,0]=4 185 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [1,1,0,0,0,0|0,1,0]=3 187 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,1,0,0,0,0|0,0,0]=2 188 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,1,0,0,1,0|1,0,0]=3 211 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,1,0,0,1,0|1,0,0]=3 212 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,1,0|1,0,0]=3 218 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,1,0,0,1,0|1,0,1]=4 219 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.225 CC(=O)N(C)C1=CC=CC(=N1)Br CDS023643 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,1,0,0,1,0|0,0,0]=2 224 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,1,0,0,1,0|0,0,0]=2 225 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,1,0,0,1,0|1,0,0]=3 227 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,1,0,0,1,0|1,0,0]=3 228 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,1,0,0,1,0|1,0,0]=3 229 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,1,0,0,1,0|1,0,0]=3 230 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,1,0,0,1,0|0,0,2]=4 231 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,1,0,0,1,0|0,0,2]=4 232 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,1,0,0,1,0|0,0,2]=4 233 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,1,0,0,1,0|0,0,2]=4 234 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,1,0,0,1,0|1,0,1]=4 235 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,1,0,0,1,0|1,0,0]=3 238 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,1,0,0,1,0|2,0,0]=4 239 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,1,0,0,1,0|0,0,0]=2 240 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,1,0,0,1,0|2,0,0]=4 241 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [0,1,0,0,1,0|2,0,0]=4 245 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.476 CC(=O)OC(C#N)C1=CC=CO1 S389609 [0,1,0,0,1,0|1,0,1]=4 247 B14R1.163 C(=C/C(C)C1=CC=CC=C1)\C(=O)OC T297879 [0,1,0,0,0,1|1,0,0]=3 248 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 S448311 [0,1,0,0,0,1|1,0,0]=3 249 B14R1.417 CC(=O)OC(C)C(C)C1=CC=CC=C1 S495166 [0,1,0,0,0,1|0,0,0]=2 250 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br S82261 [0,1,0,0,0,1|1,0,1]=4 251 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [0,1,0,0,0,1|2,0,0]=4 252 B14R1.698 CC(=O)CC(=NC1=CC=C(C=C1)C)C S532290 [0,1,0,0,0,1|1,0,1]=4 253 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [0,1,0,0,0,1|2,0,0]=4 254 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [0,1,0,0,0,1|2,0,0]=4 255 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,1,0,0,0,1|1,0,0]=3 256 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,1,0,0,0,1|1,0,0]=3 257 B14R1.1485 CC(C)(CC(=O)O)SC1=CC=CC=C1 PH009204 [0,1,0,0,0,1|2,0,0]=4 258 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 CDS011316 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 S521000 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.29 CCOC(=O)CN(C)C1=CC=CC=C1 PH010482 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,2,0,0,0,0|1,0,1]=4 262 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 PH000383 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.2 CCC1=CC=C(C=C1)C(C)CC(=O)O T135844 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)N PH003869 [0,2,0,0,0,0|2,0,0]=4 265 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R594881 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R595446 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.694 CC(=O)CC(C)(C)C1=CC=C(C=C1)C S941557 [0,2,0,0,0,0|1,0,0]=3 269 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [0,2,0,0,0,0|2,0,0]=4 270 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C T135925 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.152 CC(=O)OC(C)C1=NC=NC(=C1Cl)Cl PH016352 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.6052 CC1=CC=C(C(=C1)C(C)CC(=O)O)C R245232 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.3642 CC(=O)NC(C)(C#N)C1=CC=CC=C1 PH007431 [0,2,0,0,0,0|1,0,0]=3 274 B14R1.3642 CCC(C)(CC(=O)O)C1=CC=CC=C1 S490261 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.3642 CCC(C)(OC(=O)C)C1=CC=CC=C1 S877069 [0,2,0,0,0,0|0,0,0]=2 276 B14R1.515 CC(C)OC(CCCl)C1=CC=CC=C1 S351687 [0,2,0,0,0,0|1,0,1]=4 277 B14R1.6455 CC(=O)CC(C(=O)O)C1=CC=CC=C1 S435597 [0,2,0,0,0,0|1,0,1]=4 278 B14R1.6455 CC(=O)NC(C(=O)O)C1=CC=CC=C1 R580333 [0,2,0,0,0,0|1,0,1]=4 279 B14R1.6455 CC(=O)OC(C1=CC=CC=C1)C(C)C S495425 [0,2,0,0,0,0|0,0,0]=2 280 B14R1.6455 CC(C)C(CC(=O)O)C1=CC=CC=C1 R244902 [0,2,0,0,0,0|2,0,0]=4 281 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,1]=4 282 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,1]=4 283 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,1,0,0|1,0,1]=4 284 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,0,0,1,0,0|0,0,0]=2 287 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [1,0,0,1,0,0|2,0,0]=4 289 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,1,1,0|1,1,0]=4 290 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,1,1,0|1,1,0]=4 291 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,1,0|2,0,0]=4 292 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,1,1,0|2,0,0]=4 293 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,1,0|2,0,0]=4 294 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,1,0|2,0,0]=4 295 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,1,1,0|2,0,0]=4 296 B12R2.6 O=C1NCC(O1)C2=CC=CO2 PH003759 [0,0,0,1,1,0|2,0,0]=4 297 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 R818577 [0,0,0,1,0,1|1,0,1]=4 298 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 S199303 [0,0,0,1,0,1|1,0,1]=4 299 B14R2.68 O=C1CCP(CC1)C2=CC=CC=C2 R224480 [0,0,0,1,0,1|2,0,0]=4 300 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 T199419 [0,0,0,1,0,1|1,0,0]=3 301 B14R2.25733 CC(=O)C1=CN(C2=CC=CC=C12)C CDS018461 [0,0,0,1,0,1|2,0,0]=4 302 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,1|2,0,0]=4 303 B14R2.598 CC1CC(=O)NN1C2=CC=CC=C2 S582832 [0,0,0,1,0,1|2,0,0]=4 304 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,0,0,1,0,1|1,0,0]=3 305 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,0,0,1,0,1|2,0,0]=4 306 B14R2.642 CC(=O)C1=C(SC2=C1C=CC=C2)C CBR01172 [0,0,0,1,0,1|1,0,1]=4 307 B14R2.738 CC1CC(=O)NC2=C(N1)C=CC=C2 S615005 [0,0,0,1,0,1|2,0,0]=4 308 B14R2.768 CC(=O)OC1=NC2=C(S1)C=CC=C2 R786063 [0,0,0,1,0,1|1,0,1]=4 309 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 PH011454 [0,0,0,1,0,1|2,0,0]=4 310 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,1,0,1,0,0|0,0,2]=4 311 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,1,0,1,0,0|1,0,0]=3 312 B14R2.21 O=C1CCCC(N1)C2=CC=CN=C2 T315982 [0,1,0,1,0,0|2,0,0]=4 313 B14R2.21 O=C1CCCN(N1)C2=CC=CC=C2 S274887 [0,1,0,1,0,0|2,0,0]=4 314 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [0,1,0,1,0,0|1,0,0]=3 316 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 T308218 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.260 CN1CC(CC1=O)C2=CC=CC=C2 PH007835 [0,1,0,1,0,0|1,0,0]=3 318 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,1,0,1,0,0|1,0,0]=3 319 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [0,1,0,1,0,0|1,0,1]=4 321 B14R2.20 O=C1CCN(C1)C2=CC=C(C=C2)F CBR00490 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 CDS021160 [0,1,0,1,0,0|2,0,0]=4 323 B14R2.4476 O=C(O)C1CC1C2=CC=CC(=C2)F CDS023747 [0,1,0,1,0,0|2,0,0]=4 324 B14R2.450 CC(=O)C1=NC2=CC=CC=C2N1C CBR00074 [0,1,0,1,0,0|2,0,0]=4 325 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,1,0,1,0,0|2,0,0]=4 326 B14R2.2 O=C(O)CC1CCC2=CC=CC=C12 CDS007741 [0,1,0,1,0,0|2,0,0]=4 327 B14R2.2 O=C([O-])CC1CNC2=C1C=CC=C2 R464317 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.5443 CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)O PH018831 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F CDS023677 [0,1,0,1,0,0|2,0,0]=4 330 B14R2.28480 O=C1CC2=C(C(=O)O1)C(=CC=C2)F PH019588 [0,1,0,1,0,0|1,0,1]=4 331 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [0,1,0,1,0,0|1,0,1]=4 332 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,2,0,0|2,0,0]=4 333 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [0,0,0,2,0,0|1,0,0]=3 334 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,1,0|1,0,0]=3 335 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,1,0|1,0,0]=3 336 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,1,0|1,0,0]=3 337 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,1,0|2,0,0]=4 338 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,1,0|1,0,0]=3 339 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,1,0|1,0,0]=3 340 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,1,0|2,0,0]=4 341 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,1,0|2,0,0]=4 342 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,1,0|2,0,0]=4 343 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,1,0|2,0,0]=4 344 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,1,0|2,0,0]=4 345 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,1,0|2,0,0]=4 346 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,1,0|1,1,0]=4 347 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,1,0|2,0,0]=4 348 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,1,0|2,0,0]=4 349 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,1,0|2,0,0]=4 350 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [1,0,0,0,0,1|2,0,0]=4 351 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [1,0,0,0,0,1|2,0,0]=4 352 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,1|1,0,0]=3 353 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,1|0,1,0]=3 354 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [1,0,0,0,0,1|1,0,1]=4 355 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,1|1,0,0]=3 356 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,0,0,0,0,1|1,0,0]=3 357 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,0,1|0,0,0]=2 358 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,0,0,0,0,1|0,0,2]=4 359 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,0,0,0,1|2,0,0]=4 360 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,0,0,0,0,1|1,1,0]=4 361 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,0,0,0,1|2,0,0]=4 362 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,0,0,0,0,1|2,0,0]=4 363 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,1|2,0,0]=4 364 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,1|2,0,0]=4 365 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,1|2,0,0]=4 366 B14R1.420 C/C(=C\CNC(C)C1=CC=CC=C1)/Cl CDS017601 [0,0,0,0,0,2|2,0,0]=4 367 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,0,0,0,0,2|0,0,0]=2 368 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,0,0,0,0,2|0,0,0]=2 369 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,0,0,0,0,2|0,0,0]=2