0 B11R1.91 CC(=O)OCC1=CC=CC=C1 C15513 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)ONC1=CC=CC=C1 C02709 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 C11151 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 NC(=O)NNC1=CC=CC=C1 C19498 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 O=C(O)CCC1=CC=CC=C1 C05629 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.91 O=C(O)COC1=CC=CC=C1 C02181 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C00423 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C10438 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.91 [O-]\[N+](O)=C\CC1=CC=CC=C1 C21623 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.17 COCCC1=NC=CC=C1 C18396 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,0,0,0,0,0|0,0,3]=4 18 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [1,0,0,0,0,0|1,1,1]=4 21 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C12088 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.21 CC(C)CCC1=CC=C(O)C=C1 C14697 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 C17690 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 C06199 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 C01744 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 C07088 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 C03235 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 C06738 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 C00811 [0,1,0,0,0,0|0,0,2]=3 30 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 C06358 [0,1,0,0,0,0|0,0,2]=3 31 B12R1.27 [*]OC(=O)\C=C\C1=CC=CC=C1 C06357 [0,1,0,0,0,0|0,0,2]=3 32 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O C02057 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C00079 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O C08273 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O C02265 [0,1,0,0,0,0|0,0,0]=1 36 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 C00166 [0,1,0,0,0,0|0,0,1]=2 37 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 C05607 [0,1,0,0,0,0|0,0,0]=1 38 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 C02763 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 C20488 [0,1,0,0,0,0|0,0,0]=1 40 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 C20487 [0,1,0,0,0,0|0,0,0]=1 41 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 C07114 [0,1,0,0,0,0|0,0,1]=2 42 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [0,1,0,0,0,0|0,0,0]=1 43 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [0,1,0,0,0,0|0,0,2]=3 44 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [0,1,0,0,0,0|0,0,2]=3 45 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 C11457 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 C12621 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.891 O=S(=O)(O)COC1=NC=CC=C1 C11327 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,0,0,1,0,0|1,0,2]=4 49 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,0,0,1,0,0|0,0,2]=3 50 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,0,0,1,0,0|2,0,0]=3 51 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,0,0,1,0,0|0,0,0]=1 52 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,0,0,1,0,0|1,0,2]=4 53 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,0,0,1,0,0|1,0,2]=4 54 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 C19291 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [0,0,0,0,1,0|1,0,0]=2 56 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [0,0,0,0,1,0|2,0,0]=3 57 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [0,0,0,0,1,0|2,0,0]=3 58 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [0,0,0,0,1,0|2,0,0]=3 59 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [0,0,0,0,1,0|2,0,1]=4 60 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [0,0,0,0,1,0|2,0,1]=4 61 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [0,0,0,0,1,0|1,0,0]=2 62 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [0,0,0,0,1,0|2,1,0]=4 63 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [0,0,0,0,1,0|0,0,0]=1 64 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [0,0,0,0,1,0|2,0,0]=3 65 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [0,0,0,0,1,0|2,0,0]=3 66 B10R1.66 O=C(O)CCC1=CNC=N1 C20522 [0,0,0,0,1,0|2,0,0]=3 67 B12R1.252 CC(=O)NCCC1=CC=CC=C1 C06746 [0,0,0,0,0,1|1,0,0]=2 68 B12R1.252 CC(=O)OCCC1=CC=CC=C1 C12303 [0,0,0,0,0,1|1,0,0]=2 69 B9R1.8 CCNC1=CC=CC=C1 C14455 [2,0,0,0,0,0|1,0,1]=4 70 B9R1.8 N#CCC1=CC=CC=C1 C16074 [2,0,0,0,0,0|1,0,1]=4 71 B9R1.8 NCCC1=CC=CC=C1 C05332 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.8 O=CCC1=CC=CC=C1 C00601 [2,0,0,0,0,0|0,0,0]=2 73 B9R1.8 OCCC1=CC=CC=C1 C05853 [2,0,0,0,0,0|0,0,0]=2 74 B11R1.1 C(CC1=CC=C(O)C=C1)=N/O C04350 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.1 C(CC1=CC=C(O)C=C1)=N\O C04353 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.1 CCCCC1=CC=C(O)C=C1 C14464 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.1 CNCCC1=CC=C(O)C=C1 C02442 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.1 O=CCCC1=CC=C(O)C=C1 C16706 [1,1,0,0,0,0|0,0,0]=2 79 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 C05608 [1,1,0,0,0,0|0,0,2]=4 80 B11R1.16 CNCC(O)C1=CC=CC=C1 C03711 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.28 O\N=C\CCC1=CC=CC=C1 C17236 [1,1,0,0,0,0|0,0,0]=2 82 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.40 O\N=C(/S)CC1=CC=CC=C1 C03719 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 C14494 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 C06804 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 C01963 [0,1,0,0,1,0|2,0,0]=4 87 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 C13636 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 C03076 [0,1,0,0,1,0|0,0,0]=2 89 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C03077 [0,1,0,0,1,0|0,0,0]=2 90 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 C00642 [0,1,0,0,1,0|0,0,0]=2 91 B11R1.20 [*]C(=O)NC1=CC=C([*])C=C1 C03083 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.20 [*]C1=CC=C(CC(=O)O)C=C1 C03768 [0,1,0,0,1,0|0,0,0]=2 93 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 C17268 [0,1,0,0,1,0|1,0,1]=4 94 B11R1.36 N=C(C1=CC=CC=C1)S(=O)O C16285 [0,1,0,0,1,0|1,0,1]=4 95 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [0,1,0,0,1,0|1,0,0]=3 96 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 C18623 [0,1,0,0,1,0|0,0,0]=2 97 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 C02137 [0,1,0,0,1,0|0,0,1]=3 98 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 C01984 [0,1,0,0,1,0|0,0,0]=2 99 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 C01983 [0,1,0,0,1,0|0,0,0]=2 100 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 C14619 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.86 O=C(O)CC1=CC=CC=C1O C05852 [0,1,0,0,1,0|0,0,0]=2 102 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 C12064 [0,1,0,0,1,0|2,0,0]=4 103 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 C05593 [0,1,0,0,1,0|0,0,0]=2 104 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 C02734 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 C06747 [0,1,0,0,1,0|1,0,1]=4 106 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 C00850 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 C02180 [0,1,0,0,1,0|2,0,0]=4 108 B11R1.35 NC(CC1=CNC=N1)C(=O)O C00768 [0,1,0,0,1,0|2,0,0]=4 109 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O C00135 [0,1,0,0,1,0|2,0,0]=4 110 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O C01162 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O C06419 [0,1,0,0,1,0|2,0,0]=4 112 B11R1.35 O=C(O)C(O)CC1=CN=CN1 C05568 [0,1,0,0,1,0|2,0,0]=4 113 B11R1.35 O=C(O)[C@@H](O)CC1=CN=CN1 C03817 [0,1,0,0,1,0|2,0,0]=4 114 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 C17665 [0,1,0,0,0,1|1,0,0]=3 115 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 C19569 [0,1,0,0,0,1|1,0,0]=3 116 B13R1.45 O=C(O)CCC(O)C1=CN=CC=C1 C19579 [0,1,0,0,0,1|1,0,0]=3 117 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 C01586 [0,1,0,0,0,1|0,0,1]=3 118 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 C16623 [0,1,0,0,0,1|1,0,1]=4 119 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 C05380 [0,1,0,0,0,1|1,0,1]=4 120 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 C07428 [0,1,0,0,0,1|1,0,1]=4 121 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O C17235 [0,1,0,0,0,1|0,0,0]=2 122 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 C20327 [0,1,0,0,0,1|0,0,0]=2 123 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 C04368 [0,2,0,0,0,0|0,0,0]=2 124 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 C21308 [0,2,0,0,0,0|0,0,0]=2 125 B13R1.132 N[C@H](CC(=O)O)C1=NC=C(O)C=C1 C21326 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O C13701 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O C11217 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O C01536 [0,2,0,0,0,0|0,0,0]=2 129 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 C12033 [0,2,0,0,0,0|0,0,0]=2 130 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O C00082 [0,2,0,0,0,0|0,0,0]=2 131 B13R1.133 N[C@@H](CC1=NC=C(O)C=C1)C(=O)O C21325 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O C06420 [0,2,0,0,0,0|0,0,0]=2 133 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 C01179 [0,2,0,0,0,0|0,0,1]=3 134 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 C03672 [0,2,0,0,0,0|0,0,0]=2 135 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(O)C=C1 C03964 [0,2,0,0,0,0|0,0,0]=2 136 B13R1.133 O=C(O)\C(O)=C\C1=CC=C(O)C=C1 C05350 [0,2,0,0,0,0|0,0,2]=4 137 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 C18528 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 C03664 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 C10447 [0,2,0,0,0,0|0,0,0]=2 140 B13R1.511 O=C(O)\C=C\C1=CC(=O)C(=O)C=C1 C16828 [0,2,0,0,0,0|0,0,2]=4 141 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 C01481 [0,2,0,0,0,0|0,0,2]=4 142 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C01197 [0,2,0,0,0,0|0,0,2]=4 143 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 C06359 [0,2,0,0,0,0|0,0,2]=4 144 B13R1.148 NC1=NC(C[C@H](N)C(=O)O)=CC=N1 C08290 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O C20807 [0,2,0,0,0,0|0,0,0]=2 146 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O C20895 [0,2,0,0,0,0|0,0,0]=2 147 B13R1.152 C[C@H](C(=O)C(=O)O)C1=CC=CC=C1 C20646 [0,2,0,0,0,0|0,0,1]=3 148 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 C03290 [0,2,0,0,0,0|0,0,0]=2 149 B13R1.418 O=C(O)[C@H](CC1=CC=CC=C1)NO C19712 [0,2,0,0,0,0|0,0,0]=2 150 B13R1.201 NC1=C(C(=O)CC(=O)O)C=CC=C1 C21453 [0,2,0,0,0,0|0,0,1]=3 151 B13R1.713 CCC(OC(C)=O)C1=CC=CC=C1 C17666 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.150 O=C(O)CCC1=C(O)C(O)=CC=C1 C04044 [0,2,0,0,0,0|0,0,0]=2 153 B13R1.150 O=C(O)CCC1=CC=C[C@H](O)[C@@H]1O C11588 [0,2,0,0,0,0|0,0,2]=4 154 B13R1.150 O=C(O)\C=C\C1=C(O)C(O)=CC=C1 C12623 [0,2,0,0,0,0|0,0,2]=4 155 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [1,0,0,1,0,0|0,0,0]=2 156 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [1,0,0,1,0,0|1,0,1]=4 157 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [1,0,0,1,0,0|0,0,1]=3 158 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 C07155 [1,0,0,1,0,0|1,0,1]=4 159 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [1,0,0,1,0,0|1,0,1]=4 160 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,0,0,1,1,0|1,0,0]=3 161 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,0,0,1,1,0|1,0,0]=3 162 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 C19837 [0,0,0,1,0,1|0,0,2]=4 163 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 C15419 [0,0,0,1,0,1|0,0,0]=2 164 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 C09315 [0,1,0,1,0,0|0,0,2]=4 165 B13R2.32 O=C1C(O)=CNC2=CC=CC=C12 C11503 [0,1,0,1,0,0|1,0,1]=4 166 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O C15769 [0,1,0,1,0,0|2,0,0]=4 167 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 C20414 [0,1,0,1,0,0|0,0,2]=4 168 B9R1.12 C(=O)NCC1=CC=CO1 C02854 [1,0,0,0,1,0|2,0,0]=4 169 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [0,0,0,0,2,0|2,0,0]=4 170 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [0,0,0,0,2,0|1,0,0]=3 171 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [0,0,0,0,2,0|1,0,1]=4 172 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [0,0,0,0,2,0|1,0,1]=4 173 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [0,0,0,0,2,0|2,0,0]=4 174 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [0,0,0,0,2,0|1,0,0]=3 175 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [0,0,0,0,2,0|2,0,0]=4 176 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [0,0,0,0,2,0|2,0,0]=4 177 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [0,0,0,0,2,0|2,0,0]=4 178 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [0,0,0,0,2,0|1,1,0]=4 179 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [0,0,0,0,2,0|1,0,0]=3 180 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [0,0,0,0,2,0|0,0,0]=2 181 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [0,0,0,0,2,0|0,0,0]=2 182 B9R1.6 O=C(O)C1=CC=NC=C1 C07446 [0,0,0,0,2,0|1,0,0]=3 183 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [0,0,0,0,2,0|1,0,0]=3 184 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [0,0,0,0,2,0|1,0,0]=3 185 B9R1.6 O=C(O)C1=NC=CN=C1 C19915 [0,0,0,0,2,0|2,0,0]=4 186 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [0,0,0,0,2,0|1,0,1]=4 187 B9R1.6 OB(O)C1=CC=CC=C1 C16200 [0,0,0,0,2,0|1,0,1]=4 188 B9R1.13 O=C(O)CC1=CC=CS1 C02595 [0,0,0,0,2,0|1,0,0]=3 189 B9R1.13 O=C(O)CC1=CNC=N1 C02835 [0,0,0,0,2,0|2,0,0]=4 190 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 C17663 [0,0,0,0,0,2|1,0,0]=3 191 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 C12299 [0,0,0,0,0,2|1,0,1]=4 192 B13R1.337 CC(O)CC#CCC1=CC=CC=C1 C17783 [0,0,0,0,0,2|1,0,1]=4