0 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,0,0,0,0|2,1,0]=3 6 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,0,0,0,0,0|3,1,0]=4 7 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,0,0|1,1,0]=2 10 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,0,0,0,0,0|3,1,0]=4 14 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,0,0,0,0,0|0,0,3]=4 18 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,0|2,1,0]=4 50 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,0|2,1,0]=4 51 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|2,0,0]=3 59 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 PH010030 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.11 CC(NC(=O)CI)C1=CC=CC=C1 L318957 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.11 C[C@H](NC(=O)NN)C1=CC=CC=C1 T186848 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.42 C=C(CCO)CSC1=CC=CC=C1 T232815 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 PH007156 [0,1,0,0,0,0|2,1,0]=4 91 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.42 CCSC(=S)NNC1=CC=CC=C1 PH009213 [0,1,0,0,0,0|2,1,0]=4 97 B13R1.42 CN(CCN)CCC1=CC=CC=C1 PH014610 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 CDS021500 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 S358282 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [0,1,0,0,0,0|1,0,2]=4 110 B13R1.254 O=S(=O)(CBr)NCC1=CC=CC=C1 T274798 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(C)C S510726 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,1,0,0,0,0|1,0,1]=3 113 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,0|0,0,1]=2 114 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [0,1,0,0,0,0|0,0,0]=1 115 B13R1.351 CC(C)C(=O)/C=C/C1=CC=CC=C1 R252786 [0,1,0,0,0,0|1,0,1]=3 116 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 R343803 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.351 CC(C)C(=O)NCC1=CC=CN=C1 T321559 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,1,0,0,0,0|0,0,0]=1 120 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,1,0,0,0,0|0,0,0]=1 121 B13R1.351 CC(O)C(=O)O[Hg]C1=CC=CC=C1 S354589 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.351 CN(C)C(=O)/C=C/C1=CC=CC=C1 PH006876 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 S542717 [0,1,0,0,0,0|2,1,0]=4 124 B13R1.351 O=C(NCC1=CC=CC=C1)C(Cl)Cl PH007159 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 S988103 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,1,0,0,0,0|1,0,1]=3 128 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S301604 [0,0,0,1,0,0|1,0,1]=3 133 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S554243 [0,0,0,1,0,0|1,0,1]=3 134 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,0,0|2,0,0]=3 135 B13R2.10 O=C1NN=C(O1)C2=CC=CC=C2 S392367 [0,0,0,1,0,0|2,0,1]=4 136 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,1,0,0|1,2,0]=4 137 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,1,0,0|1,0,1]=3 139 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,0,0,1,0,0|1,0,0]=2 140 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,0,0,1,0,0|2,0,0]=3 141 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,0,0,1,0,0|2,0,0]=3 142 B13R2.2383 C1=CC=C(C=C1)COC2CNC2 CBR01702 [0,0,0,1,0,0|2,0,1]=4 143 B11R1.25 CCC(=O)/C=C/C1=CC=CN1 L167339 [0,0,0,0,1,0|2,0,1]=4 144 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.25 O=C(CCl)NCC1=CC=CO1 R468177 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.25 O=C(CCl)NCC1=CC=CS1 PH003716 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.25 O=C(CCl)OCC1=CC=CO1 S836451 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,1,0|0,0,0]=1 149 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,1,0|2,0,1]=4 150 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,1,0|2,0,0]=3 151 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,1,0|2,1,0]=4 152 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,1,0|2,0,1]=4 153 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,0,0,1,0|2,0,1]=4 154 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,1,0|2,0,0]=3 155 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,1,0|2,0,0]=3 156 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,0,0,1,0|2,0,0]=3 157 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,0,0,0,1,0|3,0,0]=4 158 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,1,0|2,0,0]=3 159 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,0,0,0,1,0|3,0,0]=4 160 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,0,0,1,0|3,0,0]=4 161 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,0,0,1,0|2,1,0]=4 162 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,1,0|3,0,0]=4 163 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,1,0|3,0,0]=4 164 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,1,0|2,0,0]=3 165 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,1,0|2,0,0]=3 166 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,1,0|2,0,0]=3 168 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,1,0|3,0,0]=4 169 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,0,0,0,1,0|1,0,2]=4 170 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,0,0,0,0,1|2,0,0]=3 171 B13R1.718 COC(=O)CCNC1=NC=CC=C1 EME00312 [0,0,0,0,0,1|3,0,0]=4 172 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,0,0,0,0,1|2,0,0]=3 173 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,0,0,0,0,1|2,0,0]=3 174 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,0,0,0,0,1|1,1,0]=3 175 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,0,0,0,0,1|2,0,0]=3 176 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [0,0,0,0,0,1|2,0,1]=4 177 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,0,0,0,0,1|2,0,0]=3 178 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|0,1,1]=4 180 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|0,1,1]=4 184 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|0,1,1]=4 188 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.8 C(=N/NC1=CC=CC=C1)\CCC S848905 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [1,1,0,0,0,0|0,0,1]=3 198 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [1,1,0,0,0,0|0,0,2]=4 199 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [1,1,0,0,0,0|0,1,1]=4 201 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,1,0,0,0,0|0,0,1]=3 209 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.51 CCOC(=O)CCN1C=CC=C1 PH010765 [0,1,0,0,1,0|2,0,0]=4 239 B12R1.264 O=C(OCC1=CC=CO1)C(Cl)Cl S836443 [0,1,0,0,1,0|2,0,0]=4 240 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,1,0,0,1,0|0,0,0]=2 241 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,1,0,0,1,0|0,0,2]=4 243 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,1,0,0,1,0|0,0,2]=4 244 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,1,0,0,1,0|0,0,2]=4 245 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,1,0,0,1,0|0,0,2]=4 246 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,0,0,1,0|1,0,0]=3 250 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,1,0,0,1,0|1,0,0]=3 251 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,1,0,0,1,0|1,0,0]=3 254 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,1,0|1,0,0]=3 261 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,1,0|1,0,0]=3 264 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,1,0,0,1,0|1,1,0]=4 265 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,1,0|1,0,0]=3 270 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,1,0|1,1,0]=4 272 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,1,0|1,0,0]=3 274 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,1,0|1,0,0]=3 275 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,1,0,0,1,0|2,0,0]=4 284 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,1,0|1,0,0]=3 291 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,1,0|2,0,0]=4 300 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,1,0,0,1,0|2,0,0]=4 301 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,1,0,0,1,0|0,0,2]=4 302 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,1,0,0,1,0|1,0,0]=3 303 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,1,0,0,1,0|2,0,0]=4 304 B12R1.194 O=S(=O)(CCl)CC1=CC=CC=C1 T163902 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,1,0|2,0,0]=4 307 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,1,0|1,0,0]=3 314 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,1,0|1,0,0]=3 315 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,1,0|2,0,0]=4 321 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,1,0|1,0,0]=3 324 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,1,0|2,0,0]=4 325 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,1,0,0,0,1|1,0,0]=3 326 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [0,1,0,0,0,1|2,0,0]=4 327 B14R1.13 COC(=O)CCSC1=CC=C(C=C1)Cl S614327 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.13 COC(=O)CSCC1=CC=C(C=C1)Cl S620289 [0,1,0,0,0,1|1,1,0]=4 329 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl TMT00614 [0,1,0,0,0,1|2,0,0]=4 330 B14R1.163 C(=C/C(C)C1=CC=CC=C1)\C(=O)OC T297879 [0,1,0,0,0,1|2,0,0]=4 331 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 S448311 [0,1,0,0,0,1|2,0,0]=4 332 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [0,1,0,0,0,1|1,0,0]=3 333 B14R1.520 CCOC(=O)/C=C/NC1=CC=CC=C1 PH000578 [0,1,0,0,0,1|1,0,1]=4 334 B14R1.520 CCOC(=O)/C=N/NC1=CC=CC=C1 PH003756 [0,1,0,0,0,1|2,0,0]=4 335 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [0,1,0,0,0,1|1,0,0]=3 336 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 S380792 [0,1,0,0,0,1|1,0,0]=3 337 B14R1.520 CCOC(=O)CCSC1=CC=CC=C1 PH010286 [0,1,0,0,0,1|1,0,0]=3 338 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 TMT00642 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CDS003234 [0,1,0,0,0,1|1,0,0]=3 340 B14R1.520 CCOC(=O)CNCC1=CC=CC=N1 PH011724 [0,1,0,0,0,1|2,0,0]=4 341 B14R1.520 CCOC(=O)N/N=C/C1=CC=CC=C1 S953458 [0,1,0,0,0,1|1,0,1]=4 342 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [0,1,0,0,0,1|1,0,0]=3 343 B14R1.743 CCC(=O)NC(=O)NC1=CC=CC=C1 S856290 [0,1,0,0,0,1|1,0,1]=4 344 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.756 CCC(N)C(=O)OCC1=CC=CC=C1 S789259 [0,1,0,0,0,1|1,0,1]=4 346 B14R1.756 CC[C@@H](N)C(=O)OCC1=CC=CC=C1 S790133 [0,1,0,0,0,1|1,0,1]=4 347 B14R1.756 CNC(=O)C(=O)NCC1=CC=CC=C1 PH002913 [0,1,0,0,0,1|2,0,0]=4 348 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,1,0,0,0,1|2,0,0]=4 349 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,1,0,0,0,1|2,0,0]=4 350 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [0,1,0,0,0,1|2,0,0]=4 351 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,1,0,0,0,1|2,0,0]=4 352 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 R343757 [0,1,0,0,0,1|1,0,0]=3 353 B14R1.6449 O=C(NCCC1=CC=CC=C1)C(Cl)Cl S844047 [0,1,0,0,0,1|2,0,0]=4 354 B14R1.10 CCC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009104 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 CDS011316 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.29 CCOC(=O)CC(N)C1=CC=NC=C1 PH016205 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 S521000 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.29 CCOC(=O)CN(C)C1=CC=CC=C1 PH010482 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,2,0,0,0,0|0,0,1]=3 360 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 PH000383 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.415 CC(C)C(=O)NC(C)C1=CC=CC=C1 R343846 [0,2,0,0,0,0|1,0,0]=3 362 B14R1.415 CC(NC(=O)C(Cl)Cl)C1=CC=CC=C1 PH010900 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.5 CCC(=O)NCC1=CC=C(C=C1)OC R343323 [0,2,0,0,0,0|1,0,0]=3 364 B14R1.5 CNC(=O)OCC1=CC=C(C=C1)OC PH009130 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.5 COC(=O)CCC1=CC=C(C=C1)CN CDS000982 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl R468185 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.502 CCCC(=O)NNC1=CC=C(C=C1)Cl S904759 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.502 CCNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007012 [0,2,0,0,0,0|1,0,1]=4 371 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C S900125 [0,2,0,0,0,0|1,0,0]=3 372 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [0,2,0,0,0,0|1,0,0]=3 373 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Br PH009987 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Cl PH011710 [0,2,0,0,0,0|2,0,0]=4 375 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PH010408 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.502 CNCC(=O)NCC1=CC=C(C=C1)F PH017400 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.502 N#CCC(=O)NCC1=CC=C(C=C1)Cl R370649 [0,2,0,0,0,0|1,0,1]=4 378 B14R1.502 N#CCC(=O)NCC1=CC=C(C=C1)F CDS021674 [0,2,0,0,0,0|1,0,1]=4 379 B14R1.679 CC(C)C(=O)NCC1=CC=C(C=C1)F R343765 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.833 O=C(CCl)NCC1=CC=C(C(=C1)Cl)Cl PH010566 [0,2,0,0,0,0|2,0,0]=4 381 B14R1.32 CCOC(=O)C=CC1=CC(=CC=C1)O S84086 [0,2,0,0,0,0|1,0,1]=4 382 B14R1.32 CCOC(=O)CNC1=CC(=CC=C1)Cl L319384 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.32 CCOC(=O)CNC1=CC=CC(=C1)C L449148 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)C PH011247 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.32 CCOC(=O)COC1=CC=CC(=C1)N PH012965 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.77 COC(=O)CCC1=CC(=CC=C1)CN PH019015 [0,2,0,0,0,0|2,0,0]=4 387 B14R1.77 COC1=CC=CC(=C1)CNC(=O)CCl TMT00615 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.60 CCNC(=O)N(C)CC1=CC=CC=C1 S775401 [0,2,0,0,0,0|1,0,0]=3 390 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.60 CCOC(=O)C(N)CC1=CC=NC=C1 CDS020927 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.156 CCCNC(=O)/C=C/C1=CC=CC=C1 PH006955 [0,2,0,0,0,0|1,0,1]=4 393 B14R1.156 CCCNC(=O)CCC1=NC=CC=C1 PH007774 [0,2,0,0,0,0|2,0,0]=4 394 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [0,2,0,0,0,0|2,0,0]=4 395 B14R1.156 CCNCC(=O)NCC1=CC=CC=C1 PH014806 [0,2,0,0,0,0|1,0,0]=3 396 B14R1.156 CCSNC(=O)NCC1=CC=CC=C1 T110957 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 PH016091 [0,2,0,0,0,0|0,0,0]=2 398 B14R1.156 O=C(CCCCl)NCC1=CC=CC=C1 S529494 [0,2,0,0,0,0|1,0,0]=3 399 B14R1.156 O=C(COC1=CC=CC=C1)NCCO S350796 [0,2,0,0,0,0|2,0,0]=4 400 B14R1.156 O=C(NCC1=CC=CC=C1)OCCI PH001946 [0,2,0,0,0,0|1,0,0]=3 401 B14R1.156 O=C(NNC1=CC=CC=C1)OCCCl PH009224 [0,2,0,0,0,0|2,0,0]=4 402 B14R1.598 CCOC(=O)/C=C/C1=C(C=CC=C1)Cl PH003227 [0,2,0,0,0,0|1,0,1]=4 403 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Br PH000463 [0,2,0,0,0,0|1,0,0]=3 404 B14R1.598 CCOC(=O)CNC1=CC=CC=C1Cl PH010545 [0,2,0,0,0,0|2,0,0]=4 405 B14R1.598 CCOC(=O)COC1=C(C=CC=C1)Cl PH010406 [0,2,0,0,0,0|2,0,0]=4 406 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C PH000990 [0,2,0,0,0,0|0,0,1]=3 407 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 S357170 [0,2,0,0,0,0|1,0,0]=3 408 B14R1.818 CC(C)CC(=O)C=CC1=CC=CC=C1 S411019 [0,2,0,0,0,0|1,0,1]=4 409 B14R1.818 CC(C)CC(=O)CCC1=CC=CC=C1 S411000 [0,2,0,0,0,0|1,0,0]=3 410 B14R1.818 CC(C)NC(=O)/C=C/C1=CC=CC=C1 PH006948 [0,2,0,0,0,0|1,0,1]=4 411 B14R1.818 CC(C)NC(=O)NCC1=CC=CC=C1 S698482 [0,2,0,0,0,0|1,0,0]=3 412 B14R1.818 CC(C)OC(=O)/C=C/C1=CC=CC=C1 S888907 [0,2,0,0,0,0|1,0,1]=4 413 B14R1.425 CC(C)C(=O)N(C)CC1=CC=CC=C1 S861278 [0,2,0,0,0,0|1,0,0]=3 414 B14R1.425 CC(CC1=CC=CC=C1)C(=O)N(C)C S497673 [0,2,0,0,0,0|2,0,0]=4 415 B14R1.1007 COC(=O)C(Br)CC1=C(C=CC=C1)F OTV000774 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.1031 [C-]#[N+]C(CC1=CC=CC=C1)C(=O)OC PH014919 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.3099 CC(C)(C)C(=O)CCC1=CN=CC=C1 R246719 [0,2,0,0,0,0|2,0,0]=4 418 B14R1.3099 CC(C)(C)C(=O)NCC1=CC=CC=C1 S169722 [0,2,0,0,0,0|1,0,0]=3 419 B14R1.3099 O=C(NCC1=CC=CC=C1)C(Cl)(Cl)Cl S720240 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.3099 O=C(NCC1=CC=CC=C1)C(Cl)(Cl)Cl S730181 [0,2,0,0,0,0|2,0,0]=4 421 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,1]=4 422 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,1]=4 423 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,1,0,0|1,0,1]=4 424 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|2,0,0]=4 425 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [1,0,0,1,0,0|1,0,1]=4 426 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [1,0,0,1,0,0|2,0,0]=4 427 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [1,0,0,1,0,0|2,0,0]=4 428 B12R2.6 O=C1NCC(O1)C2=CC=CO2 PH003759 [0,0,0,1,1,0|2,0,0]=4 429 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,1,0|2,0,0]=4 430 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,1,1,0|1,1,0]=4 431 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,1,1,0|2,0,0]=4 432 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,1,0|2,0,0]=4 433 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,1,0|2,0,0]=4 434 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,1,1,0|2,0,0]=4 435 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,0,0,1,1,0|2,0,0]=4 436 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,0,0,1,1,0|2,0,0]=4 437 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,0,0,1,1,0|2,0,0]=4 438 B14R2.8 CCC1=NOC(C1)C2=CC=CC=C2 PH008473 [0,0,0,1,0,1|1,0,0]=3 439 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,0,0,1,0,1|0,0,2]=4 440 B14R2.19 O=C1CN(CN1)CC2=CC=CC=C2 PH015293 [0,0,0,1,0,1|2,0,0]=4 441 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,1|2,0,0]=4 442 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 R818577 [0,0,0,1,0,1|1,0,1]=4 443 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 S199303 [0,0,0,1,0,1|1,0,1]=4 444 B14R2.68 O=C1CCP(CC1)C2=CC=CC=C2 R224480 [0,0,0,1,0,1|1,0,0]=3 445 B14R2.95 CCC(=O)N1C=CC2=C1C=CC=C2 S364282 [0,0,0,1,0,1|1,0,1]=4 446 B14R2.95 COC(=O)C1NCC2=CC=CC=C12 PH019012 [0,0,0,1,0,1|2,0,0]=4 447 B14R2.95 N1C=C(C2=C1C=CC=C2)C(=O)CC S370452 [0,0,0,1,0,1|1,0,1]=4 448 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 S907952 [0,0,0,1,0,1|2,0,0]=4 449 B14R2.279 CN1C(=O)CCCC2=CC=CC=C12 T167576 [0,0,0,1,0,1|2,0,0]=4 450 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [0,0,0,1,0,1|1,0,0]=3 451 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,0,0,1,0,1|2,0,0]=4 452 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [0,0,0,1,0,1|1,0,0]=3 453 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,0,0,1,0,1|0,0,2]=4 454 B14R2.4514 CC1C(=O)NN=C1C2=CC=CC=C2 PH009507 [0,0,0,1,0,1|1,0,1]=4 455 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,1,0,1,0,0|1,0,0]=3 456 B14R2.21 O=C1CCCC(N1)C2=CC=CN=C2 T315982 [0,1,0,1,0,0|2,0,0]=4 457 B14R2.21 O=C1CCCN(N1)C2=CC=CC=C2 S274887 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [0,1,0,1,0,0|1,0,0]=3 459 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [0,1,0,1,0,0|2,0,0]=4 460 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 T308218 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.260 CN1CC(CC1=O)C2=CC=CC=C2 PH007835 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.7724 CC1C(=O)NC(=O)C2=C1C=CC=C2 T153575 [0,1,0,1,0,0|1,0,1]=4 463 B14R2.20 O=C1CCN(C1)C2=CC=C(C=C2)F CBR00490 [0,1,0,1,0,0|2,0,0]=4 464 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 CDS021160 [0,1,0,1,0,0|2,0,0]=4 465 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [0,1,0,1,0,0|1,0,0]=3 466 B14R2.30 O=C1CCCN1CC2=CN=CC=C2 PH007447 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.101 C1=CC=C(C=C1)COC2CCNC2 MNO000089 [0,1,0,1,0,0|1,0,1]=4 468 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 PH011808 [0,1,0,1,0,0|1,1,0]=4 469 B14R2.203 CCN1C(=O)C=CC2=C1C=CC=C2 S982296 [0,1,0,1,0,0|1,0,1]=4 470 B14R2.598 CC1CC(=O)NN1C2=CC=CC=C2 S582832 [0,1,0,1,0,0|2,0,0]=4 471 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,1,0,1,0,0|1,0,0]=3 472 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,1,0,1,0,0|0,0,0]=2 473 B14R2.2899 O=C(/C=C/C1=CC=CC=C1)C2CC2 S621102 [0,1,0,1,0,0|1,0,1]=4 474 B14R2.2899 O=C(CSC1=CC=CC=C1)C2CC2 T245402 [0,1,0,1,0,0|2,0,0]=4 475 B14R2.403 O=S1(=O)CCC(C1)C2=CC=CC=C2 T322024 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.743 CC1(C(=O)C=CC2=C1C=CC=C2)O S956015 [0,1,0,1,0,0|1,0,1]=4 477 B14R2.743 CC1(C(=O)CCC2=C1C=CC=C2)C S58743 [0,1,0,1,0,0|1,0,0]=3 478 B14R2.92 CCC1CCC2=C(C1=O)C=CC=C2 S58409 [0,1,0,1,0,0|1,0,1]=4 479 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,2,0,0|2,0,0]=4 480 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [0,0,0,2,0,0|1,0,0]=3 481 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,1,0|1,0,0]=3 482 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,1,0|1,0,0]=3 483 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,1,0|1,0,0]=3 484 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,1,0|2,0,0]=4 485 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,1,0|1,0,0]=3 486 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,1,0|1,0,0]=3 487 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,1,0|2,0,0]=4 488 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,1,0|2,0,0]=4 489 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,1,0|2,0,0]=4 490 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,1,0|2,0,0]=4 491 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,1,0|2,0,0]=4 492 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,1,0|2,0,0]=4 493 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,1,0|1,1,0]=4 494 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,1,0|2,0,0]=4 495 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,2,0|2,0,0]=4 498 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,0,0,0,2,0|1,0,0]=3 500 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,2,0|1,0,0]=3 503 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,0,0,2,0|2,0,0]=4 504 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,0,0,0,2,0|2,0,0]=4 506 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,2,0|2,0,0]=4 507 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,0,0,0,0,2|0,0,0]=2 508 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 S528463 [0,0,0,0,0,2|0,0,0]=2 509 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,0,0,0,0,2|1,0,0]=3 510 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 S614165 [0,0,0,0,0,2|1,1,0]=4 511 B14R1.716 COC(=O)NNCCC1=CC=CC=C1 PH007754 [0,0,0,0,0,2|2,0,0]=4 512 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 TMT00612 [0,0,0,0,0,2|2,0,0]=4 513 B14R1.716 O=C(CCl)OCC=CC1=CC=CC=C1 S240230 [0,0,0,0,0,2|1,0,0]=3