0 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N S238449 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,0,0,0,0,0|0,0,2]=2 9 B12R1.34 O=C(C1=CC=CC=C1)/C(=N/O)/Cl PH002865 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,0,0,0,0,0|0,0,2]=3 19 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,0,0,0,0,0|0,0,2]=3 20 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.36 CN(C)C(=S)C1=CC=NC=C1 PH007726 [1,0,0,0,0,0|2,1,0]=4 44 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,0,0,0,0,0|1,0,1]=3 52 B13R1.21 C/C(=N\O)/C(=O)C1=CC=C(C=C1)Cl PH004967 [0,1,0,0,0,0|1,0,2]=4 53 B13R1.21 CC1=CC=C(C=C1)C(=O)/C(=N/O)/C R738859 [0,1,0,0,0,0|1,0,2]=4 54 B13R1.22 CON(C)C(=O)C1=CN=CC(=C1)Br KOB0025 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,1,0,0,0,0|1,0,2]=4 56 B13R1.86 CCN(CC)C(=O)C1=CC=CC=C1 S380873 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.86 N#CC(C#N)C(=O)C1=CC=CC=C1 S915025 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.532 CCC(C)C(C#N)C1=CC=CC=C1 S381632 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 S377643 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.696 CCN(C)C(=O)C1=CC=CN=C1Cl VBP00048 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.708 C=CC(C)S(=O)(=O)C1=CC=CC=C1 T288926 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,1,0,0|1,0,1]=3 64 B13R2.32 CN1C=NC2=CC=CC=C2C1=O PH003333 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.45 COC1CC2=CC=CC=C2C1O PH010215 [0,0,0,1,0,0|1,0,2]=4 66 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,0,0,1,0,0|2,0,1]=4 71 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [0,0,0,1,0,0|2,0,0]=3 72 B13R1.11 CC(C#N)OC(=O)C1=CC=CC=C1 EME00155 [0,0,0,0,0,1|2,0,0]=3 73 B13R1.11 CC(CCl)NC(=O)C1=CC=CC=C1 R738484 [0,0,0,0,0,1|2,0,0]=3 74 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 R788562 [0,0,0,0,0,1|2,0,0]=3 75 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [0,0,0,0,0,1|1,0,0]=2 76 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,0,0,0,0,1|2,0,1]=4 77 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,0,0,0,0,1|2,0,1]=4 78 B13R1.135 CCC(Br)C(=O)OC1=CC=CC=C1 PH000737 [0,0,0,0,0,1|2,0,0]=3 79 B13R1.135 CON(C)C(=O)NC1=CC=CC=C1 S586269 [0,0,0,0,0,1|2,0,0]=3 80 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,1,0,0,0,0|0,0,2]=4 117 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,1,0,0,0,0|0,0,2]=4 122 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [1,1,0,0,0,0|0,0,1]=3 127 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 S382787 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [1,1,0,0,0,0|0,0,2]=4 136 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.308 CC1=CC=CC=C1C(=O)CC#N JRD0744 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F PH005130 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [1,1,0,0,0,0|0,0,0]=2 152 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)Cl CBR00393 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.20 O=C(C1=CC=C(C=C1)Br)C(Br)Br S356298 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.20 O=C(C1=CC=C(C=C1)Cl)C(Cl)Cl S766674 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CDS020037 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [1,1,0,0,0,0|0,0,0]=2 165 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [1,1,0,0,0,0|0,0,0]=2 166 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)Br EME00401 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)Cl PH008997 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)N OTV000592 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [1,1,0,0,0,0|0,0,1]=3 170 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [1,1,0,0,0,0|0,0,2]=4 172 B12R1.564 O=C(C1=CC=CC=C1)C(Cl)(Cl)Cl PH002344 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|0,0,1]=3 176 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,1,0,0,0,0|0,0,1]=3 177 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,1,0,0,0,0|1,0,1]=4 180 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)Br R269344 [0,1,0,0,0,1|1,0,0]=3 181 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)Cl R269336 [0,1,0,0,0,1|1,0,0]=3 182 B14R1.11 CC(C#N)CC(=O)C1=CC(=CC=C1)F PH000694 [0,1,0,0,0,1|2,0,0]=4 183 B14R1.11 CCC(C)NC(=O)C1=CC(=CC=C1)Cl R704059 [0,1,0,0,0,1|1,0,0]=3 184 B14R1.29 C(=O)CC(C)NC(=O)C1=CC=CC=C1 T297674 [0,1,0,0,0,1|1,0,1]=4 185 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [0,1,0,0,0,1|1,0,0]=3 186 B14R1.58 CCC(C#N)NC(=O)C1=CC=CC=C1 L161780 [0,1,0,0,0,1|1,0,1]=4 187 B14R1.58 CCC(CC)NC(=O)C1=CC=CC=C1 PH009455 [0,1,0,0,0,1|1,0,0]=3 188 B14R1.58 CCC(CO)NC(=O)C1=CC=CC=C1 R425397 [0,1,0,0,0,1|1,0,0]=3 189 B14R1.58 CSC(=CC(=O)C1=CC=CC=C1)SC S754641 [0,1,0,0,0,1|1,0,1]=4 190 B14R1.58 CSC(=CC(=O)C1=CC=CC=C1)SC S985228 [0,1,0,0,0,1|1,0,1]=4 191 B14R1.85 CNC(=O)N(C)C(=O)C1=CC=CC=C1 PH009601 [0,1,0,0,0,1|1,0,1]=4 192 B14R1.290 CC(C)(C#N)CC(=O)C1=CC=CC=C1 S906247 [0,1,0,0,0,1|2,0,0]=4 193 B14R1.290 CC(C)(CO)NC(=O)C1=CC=CC=C1 S798576 [0,1,0,0,0,1|2,0,0]=4 194 B14R1.415 C/C(=C\C(=O)C1=CC=CC=C1)/N(C)C KOB0015 [0,1,0,0,0,1|0,0,1]=3 195 B14R1.415 C/C(=C\C(=O)C1=NC=CC=C1)/N(C)C KOB0062 [0,1,0,0,0,1|1,0,1]=4 196 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [0,1,0,0,0,1|2,0,0]=4 197 B14R1.415 CC(Cl)C(C)NC(=O)C1=CC=CC=C1 R738840 [0,1,0,0,0,1|1,0,0]=3 198 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S560014 [0,1,0,0,0,1|2,0,0]=4 199 B14R1.415 CN(C)C(=S)NC(=O)C1=CC=CC=C1 S195197 [0,1,0,0,0,1|1,0,1]=4 200 B14R1.415 C[C@H](Br)[C@H](C)OC(=O)C1=CC=CC=C1 T282758 [0,1,0,0,0,1|1,0,0]=3 201 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S451797 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S455067 [0,1,0,0,0,1|2,0,0]=4 203 B14R1.587 CCC(C)NC(=O)C1=C(C=CC=C1)C L130613 [0,1,0,0,0,1|1,0,0]=3 204 B14R1.587 CCC(C)NC(=O)C1=C(C=CC=C1)Cl R703885 [0,1,0,0,0,1|1,0,0]=3 205 B14R1.587 CCC(C)NC(=O)C1=C(C=CC=C1)N PH015212 [0,1,0,0,0,1|1,0,0]=3 206 B14R1.134 CCC(Br)C(=O)NC1=CC=C(C=C1)C PH015153 [0,1,0,0,0,1|2,0,0]=4 207 B14R1.134 CCC(Br)C(=O)NC1=CC=C(C=C1)Cl PH011517 [0,1,0,0,0,1|2,0,0]=4 208 B14R1.134 CCC(Br)C(=O)NC1=CC=C(C=C1)F PH015152 [0,1,0,0,0,1|2,0,0]=4 209 B14R1.425 CC(=O)C(C)C(=O)NC1=CC=CC=C1 PH008363 [0,1,0,0,0,1|1,0,0]=3 210 B14R1.532 CCN(CC)C(=O)NC1=CC=CC=C1 S711225 [0,1,0,0,0,1|2,0,0]=4 211 B14R1.1007 CCC(Br)C(=O)NC1=C(C=CC=C1)C PH011515 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.1007 CCC(Br)C(=O)NC1=C(C=CC=C1)F PH015158 [0,1,0,0,0,1|2,0,0]=4 213 B14R1.7 CCC(Br)C(=O)C1=CC=C(C=C1)OC PH016227 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [0,2,0,0,0,0|1,0,0]=3 215 B14R1.2819 CCC(Br)C(=O)C1=C(C=C(C=C1)C)C OTV000777 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.89 CCN(CC)C(=O)C1=CC(=CC=C1)O EME00381 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 S372609 [0,2,0,0,0,0|0,0,2]=4 218 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [0,2,0,0,0,0|0,0,0]=2 220 B14R1.1017 CN(C)C(CO)C(O)C1=CC=CC=C1 S876615 [0,2,0,0,0,0|0,0,2]=4 221 B14R1.3624 CCN(CC)C(=O)C1=CC=CC=C1N PH010769 [0,2,0,0,0,0|2,0,0]=4 222 B14R1.6391 CN(C)C(C)(C)C(=O)C1=CC=CC=C1 PH007211 [0,2,0,0,0,0|0,0,0]=2 223 B14R1.10526 CC(C(=O)C1=CC=CC=C1)S(=O)(=O)O T172863 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.10526 CC(C(=O)C1=CC=CC=C1)S(=O)(=O)[O-] T172871 [0,2,0,0,0,0|2,0,0]=4 225 B14R1.2984 CCC(C)C(C(=O)N)C1=CC=CC=C1 S377627 [0,2,0,0,0,0|1,0,1]=4 226 B14R1.2984 CCC(C)C(C(=O)[O-])C1=CC=CC=C1 S400807 [0,2,0,0,0,0|1,0,1]=4 227 B14R1.2984 CCC(C)C(C(=O)[O-])C1=CC=CC=C1 S402729 [0,2,0,0,0,0|1,0,1]=4 228 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [1,0,0,1,0,0|1,0,0]=3 234 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [1,0,0,1,0,0|2,0,0]=4 235 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,0,0,1,0,0|2,0,0]=4 237 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 CBR00500 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [1,0,0,1,0,0|1,0,0]=3 241 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [1,0,0,1,0,0|0,0,1]=3 242 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [1,0,0,1,0,0|1,0,1]=4 243 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [1,0,0,1,0,0|1,0,1]=4 244 B14R2.21 CC1CN(CCN1)C2=CC=CC=C2 CBR00746 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,0,0,1,0,1|1,0,1]=4 246 B14R2.1019 O=C1OC(CC2=C1C=CC=C2)CBr PH016304 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.7724 CC1CC(=O)C2=C(S1=O)C=CC=C2 PH010711 [0,0,0,1,0,1|2,0,0]=4 248 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 T323713 [0,0,0,1,0,1|1,0,1]=4 249 B14R2.1128 CNC1CC2=CC=CC=C2OC1C PH013131 [0,0,0,1,0,1|1,0,1]=4 250 B14R2.4514 CC1CNN(C1=O)C2=CC=CC=C2 L203815 [0,0,0,1,0,1|2,0,0]=4 251 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,0,0,1,0,1|1,0,1]=4 252 B14R2.9589 O=C(NC1=CC=CC=C1)C2CCC2 T313963 [0,0,0,1,0,1|1,0,0]=3 253 B14R2.8716 CN1C(=O)C(=O)C2=CC(=CC=C12)Br TMT00036 [0,1,0,1,0,0|1,0,1]=4 254 B14R2.29369 O=C1C2=C(C=C(C=C2)Br)CCC1O T263648 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.4513 O=C1C2=C(C=CC(=C2)Br)CCC1O T285870 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.44 N#CCC1CC2=C(C1=O)C=CC=C2 S732451 [0,1,0,1,0,0|1,0,1]=4 257 B14R2.114 C=C(C1=CC=CC=C1)C2CCCC2 S960012 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [0,1,0,1,0,0|1,0,0]=3 259 B14R2.279 CN1CCSC2=C(C1=O)C=CC=C2 S664774 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.317 CC1NCCC1(O)C2=CC=CC=C2 PH012642 [0,1,0,1,0,0|0,0,2]=4 261 B14R2.19306 CC1=C(C2=C(N1C)C=CC=C2)C=O CDS014832 [0,1,0,1,0,0|0,0,1]=3 262 B14R2.19306 CCN1C(=O)C(=O)C2=CC=CC=C12 PH011274 [0,1,0,1,0,0|1,0,1]=4 263 B14R2.19306 O=C1C(=O)N(C2=C1C=CC=C2)CO S802107 [0,1,0,1,0,0|1,0,1]=4 264 B14R2.92 CCC1CCC2=C(C1=O)C=CC=C2 S58409 [0,1,0,1,0,0|1,0,0]=3 265 B14R2.6180 CC1(C(=O)C2=C(C1=O)C=CC=C2)Br R367613 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.6180 CN1C2=CC=CC=C2C(C1(C)C)O PH007484 [0,1,0,1,0,0|0,0,2]=4 267 B14R2.277 CC1CCC(=O)N1C2=CC=CC=C2 PH009065 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.2850 C(=O)C(C1=CC=CC=C1)C2CCC2 T289302 [0,1,0,1,0,0|1,0,1]=4 269 B14R2.21545 O=C(C1=C(C=CC=C1)Cl)C2CCC2 PH000419 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [1,0,0,0,1,0|2,0,0]=4 271 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [1,0,0,0,1,0|2,0,0]=4 272 B10R1.23 CN(C)C(=O)C1=CC=CO1 PH008437 [1,0,0,0,1,0|2,0,0]=4 273 B14R1.163 CCC(C)NNC(=O)C1=CC=NC=C1 PH007757 [0,0,0,0,0,2|2,0,0]=4 274 B14R1.163 CNC(=S)NNC(=O)C1=CC=CC=C1 S869473 [0,0,0,0,0,2|1,0,1]=4 275 B14R1.743 CC(CO)NC(=O)CC1=CC=CC=C1 PH010622 [0,0,0,0,0,2|2,0,0]=4 276 B14R1.743 CCC(C)NC(=O)CC1=CC=CC=C1 R269298 [0,0,0,0,0,2|1,0,0]=3 277 B14R1.743 CCC(C)NC(=O)NC1=CC=CC=C1 R676438 [0,0,0,0,0,2|1,0,0]=3 278 B14R1.743 CCC(C)OC(=O)NC1=CC=CC=C1 S556017 [0,0,0,0,0,2|1,0,0]=3 279 B14R1.756 CCC(N)C(=O)OCC1=CC=CC=C1 S789259 [0,0,0,0,0,2|2,0,0]=4 280 B14R1.756 CC[C@@H](N)C(=O)OCC1=CC=CC=C1 S790133 [0,0,0,0,0,2|2,0,0]=4 281 B14R1.756 CNC(=O)C(=O)NCC1=CC=CC=C1 PH002913 [0,0,0,0,0,2|1,0,1]=4 282 B14R1.756 CON(C)C(=O)/C=C/C1=CC=CC=C1 R411078 [0,0,0,0,0,2|2,0,0]=4