0 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.12 C(=O)C(C=O)C1=CC=NC=C1 L307416 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,0,0,0,0|0,0,1]=2 21 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,0,0,0,0,0|1,0,1]=3 33 B13R1.405 C=CCC(C(=O)C)C1=CC=CC=C1 S38882 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.532 CCC(C)C(C#N)C1=CC=CC=C1 S381632 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 S377643 [0,1,0,0,0,0|0,0,2]=3 36 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S316024 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S332879 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494003 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494607 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.706 CC(C)/C(=N\O)/C1=CC=C(C=C1)Cl PH009217 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.706 CC1=CC=C(C=C1)C(CN)N(C)C CBR00265 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.719 C=CC(C1=CC=CC=C1)[Si](C)(C)C T305162 [0,1,0,0,0,0|1,1,0]=3 43 B13R1.719 CC(C)(C)C(C#N)C1=CC=CC=C1 S662240 [0,1,0,0,0,0|1,0,1]=3 44 B13R1.719 CC(C)(C)C(CCl)C1=CC=CC=C1 S876283 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.719 CC(C)(C)N(N=O)C1=CC=CC=C1 S869643 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 S876232 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.1111 CC(C)C(C(=O)[O-])C1=CC=CC=C1 S400300 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.1111 NC(=O)C(C(=O)N)C1=CC=CC=C1 PH011709 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.3085 CC(C)C(C)(CO)C1=CC=CC=C1 S713279 [0,1,0,0,0,0|0,0,2]=3 50 B13R1.3085 CCC(O)(C1=CC=CC=C1)C(C)C PH001540 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.3085 COC(C)(C1=CC=CC=C1)C(C)C S577332 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,0,0,1,0,0|1,0,2]=4 56 B13R2.679 O/N=C(\C1=CC=CC=C1)/C2CC2 PH010999 [0,0,0,1,0,0|1,0,2]=4 57 B13R1.713 C=CC(OC(=O)C)C1=CC=CC=C1 S877182 [0,0,0,0,0,1|2,0,1]=4 58 B13R1.713 CC(C)NC(C#N)C1=CC=CC=C1 PH010813 [0,0,0,0,0,1|1,0,1]=3 59 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|1,0,1]=4 73 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [2,0,0,0,0,0|1,0,1]=4 74 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|0,0,2]=4 78 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [1,1,0,0,0,0|0,0,1]=3 87 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.243 CCN(N=O)C1=CC=CC=C1C PH007144 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.475 CCC(C)(C#N)C1=CC=CC=C1 S490571 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S494623 [1,1,0,0,0,0|0,0,2]=4 92 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S495034 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.475 CCC(C)(NN)C1=CC=CC=C1 S859311 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [1,1,0,0,0,0|0,0,1]=3 98 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [1,1,0,0,0,0|0,0,2]=4 104 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [1,1,0,0,0,0|0,0,1]=3 105 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [1,1,0,0,0,0|0,0,1]=3 110 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [1,1,0,0,0,0|0,0,1]=3 115 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CDS020037 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [1,1,0,0,0,0|0,0,1]=3 118 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [1,1,0,0,0,0|0,0,1]=3 120 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)Br EME00401 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)Cl PH008997 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)N OTV000592 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [1,1,0,0,0,0|0,0,1]=3 124 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [1,1,0,0,0,0|1,0,1]=4 126 B14R1.548 C=CC(SC1=CC=CC=C1)C(C)(C)O T211559 [0,1,0,0,0,1|1,0,0]=3 127 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CBR02262 [0,1,0,0,0,1|1,0,1]=4 128 B14R1.4513 CC(C)C(OC1=CC=CC=C1)C(=O)Cl PH015121 [0,1,0,0,0,1|0,0,0]=2 129 B14R1.515 CC(C)OC(CCCl)C1=CC=CC=C1 S351687 [0,1,0,0,0,1|1,0,1]=4 130 B14R1.6455 CC(=NN(C(=O)N)C1=CC=CC=C1)C PH009246 [0,1,0,0,0,1|1,0,1]=4 131 B14R1.6455 CC(=O)CC(C(=O)O)C1=CC=CC=C1 S435597 [0,1,0,0,0,1|1,0,1]=4 132 B14R1.6455 CC(=O)NC(C(=O)O)C1=CC=CC=C1 R580333 [0,1,0,0,0,1|1,0,1]=4 133 B14R1.6455 CC(C)CC(C(=O)O)C1=CC=CC=C1 S316083 [0,1,0,0,0,1|0,0,0]=2 134 B14R1.2984 CCC(C)C(C(=O)N)C1=CC=CC=C1 S377627 [0,2,0,0,0,0|0,0,0]=2 135 B14R1.2984 CCC(C)C(C(=O)[O-])C1=CC=CC=C1 S400807 [0,2,0,0,0,0|0,0,0]=2 136 B14R1.2984 CCC(C)C(C(=O)[O-])C1=CC=CC=C1 S402729 [0,2,0,0,0,0|0,0,0]=2 137 B14R1.2984 COC(=O)C(C1=CC=CC=C1)C(C)C S876275 [0,2,0,0,0,0|0,0,0]=2 138 B14R1.604 CCCC(C)C(C#N)C1=CC=CC=C1 S381950 [0,2,0,0,0,0|1,0,1]=4 139 B14R1.703 CN(C)C(C(=O)O)C1=CC=C(C=C1)F CBR00811 [0,2,0,0,0,0|1,0,0]=3 140 B14R1.3637 CCC(N)(C1=CC=C(C=C1)F)C(C)C PH013251 [0,2,0,0,0,0|1,0,1]=4 141 B14R1.3637 CCC(O)(C1=CC=C(C=C1)Cl)C(C)C PH001531 [0,2,0,0,0,0|1,0,1]=4 142 B14R1.4402 CC1=CC=CC(=C1)C(C(=O)O)N(C)C CBR01123 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.4402 CN(C)C(C(=O)O)C1=CC=CC(=C1)F CBR01207 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.3646 CCC(C)(C1=CC=CC=C1)C(C)(C)O S493732 [0,2,0,0,0,0|1,0,1]=4 145 B14R1.3646 COC(C)(C1=CC=CC=C1)C(C)(C)O S333662 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.3646 COC(C)(C1=CC=CC=C1)C(C)(C)O S485985 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.323 CC1=CC=CC=C1C(C(=O)O)C(C)C S377309 [0,2,0,0,0,0|0,0,0]=2 148 B14R1.323 CN(C)C(C(=O)O)C1=C(C=CC=C1)F CBR01124 [0,2,0,0,0,0|1,0,0]=3 149 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [1,0,0,1,0,0|1,1,0]=4 150 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [1,0,0,1,0,0|2,0,0]=4 151 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [1,0,0,1,0,0|1,0,1]=4 152 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,1]=4 153 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,1]=4 154 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|1,0,1]=4 155 B12R2.48 N#CC1(CC1)C2=CC=CC=C2 PH000032 [1,0,0,1,0,0|1,0,1]=4 156 B12R2.48 NCC1(CC1)C2=CC=CC=C2 CDS007962 [1,0,0,1,0,0|1,0,1]=4 157 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [1,0,0,1,0,0|1,0,1]=4 158 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [1,0,0,1,0,0|1,0,1]=4 159 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [1,0,0,1,0,0|2,0,0]=4 160 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [1,0,0,1,0,0|1,0,0]=3 161 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 CBR00500 [1,0,0,1,0,0|1,0,1]=4 162 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [1,0,0,1,0,0|1,0,1]=4 163 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S365653 [0,0,0,1,0,1|1,0,1]=4 164 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 S393320 [0,0,0,1,0,1|1,0,1]=4 165 B14R2.403 CC1(OCC(O1)C2=CC=CC=C2)C S793531 [0,0,0,1,0,1|0,0,2]=4 166 B14R2.598 CC1CC(=O)N(N1)C2=CC=CC=C2 PH002036 [0,0,0,1,0,1|1,0,0]=3 167 B14R2.598 NC1CC(=O)N(C1)C2=CC=CC=C2 CDS011738 [0,0,0,1,0,1|2,0,0]=4 168 B14R2.277 CC1=C(C(=O)NC1)C2=CC=CC=C2 T320811 [0,1,0,1,0,0|0,0,2]=4 169 B14R2.277 CC1CCC(=O)N1C2=CC=CC=C2 PH009065 [0,1,0,1,0,0|1,0,0]=3 170 B14R2.2850 C(=O)C(C1=CC=CC=C1)C2CCC2 T289302 [0,1,0,1,0,0|0,0,0]=2 171 B14R2.4514 CC1C(=CCN1C)C2=CC=CC=C2 PH012736 [0,1,0,1,0,0|1,0,1]=4 172 B14R2.19306 CC1=C(C2=C(N1C)C=CC=C2)C=O CDS014832 [0,1,0,1,0,0|0,0,2]=4 173 B14R2.19306 CN1C(=O)C(C2=C1C=CC=C2)C=O PH010784 [0,1,0,1,0,0|1,0,1]=4 174 B14R2.317 C[C@@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236691 [0,1,0,1,0,0|1,0,1]=4 175 B14R2.317 C[C@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236705 [0,1,0,1,0,0|1,0,1]=4 176 B14R3.8288 O=C1CC2C1C3=C(C2)C=CC=C3 S52656 [0,0,0,2,0,0|0,0,0]=2 177 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [1,0,0,0,0,1|0,0,1]=3 178 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [1,0,0,0,0,1|0,0,1]=3 179 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [1,0,0,0,0,1|1,0,1]=4 180 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [1,0,0,0,0,1|1,0,1]=4 181 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [1,0,0,0,0,1|1,0,1]=4 182 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [1,0,0,0,0,1|1,0,1]=4 183 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [1,0,0,0,0,1|0,0,2]=4 184 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [1,0,0,0,0,1|0,0,1]=3 185 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [1,0,0,0,0,1|1,0,1]=4 186 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [1,0,0,0,0,1|0,0,1]=3 187 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,0,0,0,0,1|2,0,0]=4 188 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,0,0,0,0,1|2,0,0]=4 189 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,0,0,0,0,1|2,0,0]=4 190 B14R1.549 CN(C)/C=C(\C=O)/OC1=CC=CC=C1 PH000279 [0,0,0,0,0,2|1,0,1]=4