0 B3R0.1 C(=O)ON HY-Y0488A [0,0,0,0,0,0|3,1,0]=4 1 B3R0.1 CNNC HY-W460407 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 CNOC HY-41074 [0,0,0,0,0,0|1,1,0]=2 3 B3R0.1 N#CS[Na] HY-23119 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.1 NCCO HY-W035903 [0,0,0,0,0,0|4,0,0]=4 5 B3R0.1 NCCS HY-77591 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.1 O=[13CH]CO HY-146995S [0,0,0,0,0,0|4,0,0]=4 7 B3R0.1 OCCO HY-Y0338 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.1 OCCO HY-Y0873A [0,0,0,0,0,0|4,0,0]=4 9 B3R0.1 OCCO HY-Y0873A1 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.1 OCCO HY-Y0873B [0,0,0,0,0,0|4,0,0]=4 11 B3R0.1 OCCO HY-Y0873C [0,0,0,0,0,0|4,0,0]=4 12 B3R0.1 OCCO HY-Y0873E [0,0,0,0,0,0|4,0,0]=4 13 B3R0.1 OCCO HY-Y0873F [0,0,0,0,0,0|4,0,0]=4 14 B3R0.1 OCCO HY-Y0873G [0,0,0,0,0,0|4,0,0]=4 15 B3R0.1 OCCO HY-Y0873H [0,0,0,0,0,0|4,0,0]=4 16 B3R0.1 OCCO HY-Y0873I [0,0,0,0,0,0|4,0,0]=4 17 B3R0.1 OCCO HY-Y0873J [0,0,0,0,0,0|4,0,0]=4 18 B3R0.1 OCCO HY-Y0873K [0,0,0,0,0,0|4,0,0]=4 19 B3R0.1 OCCO HY-Y0873L [0,0,0,0,0,0|4,0,0]=4 20 B3R0.1 OCCO HY-Y0873M [0,0,0,0,0,0|4,0,0]=4 21 B3R0.1 OCCO HY-Y0873N [0,0,0,0,0,0|4,0,0]=4 22 B3R0.1 OCCO HY-Y0873O [0,0,0,0,0,0|4,0,0]=4 23 B3R0.1 OCCO HY-Y0873P [0,0,0,0,0,0|4,0,0]=4 24 B3R0.1 OCCO HY-Y0873Q [0,0,0,0,0,0|4,0,0]=4 25 B3R0.1 OOOP HY-Y1939A [0,0,0,0,0,0|2,2,0]=4 26 B2R0.1 C=CCl HY-W687022A [1,0,0,0,0,0|2,0,1]=4 27 B2R0.1 C=CO HY-Y0850 [1,0,0,0,0,0|1,1,1]=4 28 B2R0.1 C=CO HY-Y0850E [1,0,0,0,0,0|1,1,1]=4 29 B2R0.1 C=CO HY-Y0850H [1,0,0,0,0,0|1,1,1]=4 30 B2R0.1 C=CO HY-Y0850I [1,0,0,0,0,0|1,1,1]=4 31 B2R0.1 C=CO HY-Y0850J [1,0,0,0,0,0|1,1,1]=4 32 B2R0.1 C=CO HY-Y0850K [1,0,0,0,0,0|1,1,1]=4 33 B2R0.1 C=CO HY-Y0850N [1,0,0,0,0,0|1,1,1]=4 34 B2R0.1 C=CO HY-Y0850P [1,0,0,0,0,0|1,1,1]=4 35 B2R0.1 C=CO HY-Y0850U6 [1,0,0,0,0,0|1,1,1]=4 36 B2R0.1 CON HY-Y0958 [1,0,0,0,0,0|1,1,0]=3 37 B2R0.1 C[Cu]C HY-Y1102A [1,0,0,0,0,0|1,0,0]=2 38 B2R0.1 C[Pd]C HY-W002072 [1,0,0,0,0,0|1,0,0]=2 39 B2R0.1 C[Zn]C HY-B1817 [1,0,0,0,0,0|1,0,0]=2 40 B2R0.1 C[Zn]C HY-B1817A [1,0,0,0,0,0|1,0,0]=2 41 B2R0.1 ClClCl HY-W075903 [1,0,0,0,0,0|3,0,0]=4 42 B2R0.1 Cl[Ca]Cl HY-Y0406E [1,0,0,0,0,0|3,0,0]=4 43 B2R0.1 Cl[Ca]Cl HY-Y0406H [1,0,0,0,0,0|3,0,0]=4 44 B2R0.1 Cl[Mg]Cl HY-Y1110H [1,0,0,0,0,0|3,0,0]=4 45 B2R0.1 Cl[Mg]Cl HY-Y1110I [1,0,0,0,0,0|3,0,0]=4 46 B2R0.1 Cl[Mn]Cl HY-W019894 [1,0,0,0,0,0|3,0,0]=4 47 B2R0.1 Cl[Pt]Cl HY-W075885 [1,0,0,0,0,0|3,0,0]=4 48 B2R0.1 Cl[SnH2]Cl HY-Y0481 [1,0,0,0,0,0|3,0,0]=4 49 B2R0.1 F[Ca]F HY-W019962 [1,0,0,0,0,0|3,0,0]=4 50 B2R0.1 F[Mg]F HY-W019922 [1,0,0,0,0,0|3,0,0]=4 51 B2R0.1 F[Ni]F HY-W075766 [1,0,0,0,0,0|3,0,0]=4 52 B2R0.1 NC=O HY-Y0842 [1,0,0,0,0,0|2,1,0]=4 53 B2R0.1 NC=O HY-Y0842B [1,0,0,0,0,0|2,1,0]=4 54 B2R0.1 O=[Ti]=O HY-W051271 [1,0,0,0,0,0|2,1,0]=4 55 B2R0.1 O[Ca]O HY-B2217 [1,0,0,0,0,0|2,1,0]=4 56 B2R0.1 O[Ca]O HY-B2217D [1,0,0,0,0,0|2,1,0]=4 57 B2R0.1 O[Mg]O HY-B2218D [1,0,0,0,0,0|2,1,0]=4 58 B2R0.1 [*]B=S HY-D0842 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 CC(=O)C=O HY-W020014 [0,1,0,0,0,0|3,0,0]=4 60 B4R0.1 CC(=O)CO HY-Y1366 [0,1,0,0,0,0|3,0,0]=4 61 B4R0.1 CC(=O)NBr HY-131899 [0,1,0,0,0,0|3,0,0]=4 62 B4R0.1 CC(=O)NO HY-B1235 [0,1,0,0,0,0|3,0,0]=4 63 B4R0.1 CC(=O)O[K] HY-Y0319B [0,1,0,0,0,0|2,1,0]=4 64 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,1,0,0,0,0|2,1,0]=4 65 B4R0.1 CC(C)=NO HY-W008840 [0,1,0,0,0,0|3,0,0]=4 66 B4R0.1 CC(O)CN HY-W015969 [0,1,0,0,0,0|3,0,0]=4 67 B4R0.1 CC(O)CO HY-Y0921 [0,1,0,0,0,0|3,0,0]=4 68 B4R0.1 CC[C@@H](C)O HY-W087952 [0,1,0,0,0,0|2,0,0]=3 69 B4R0.1 CNC(=N)N HY-W005028 [0,1,0,0,0,0|3,0,0]=4 70 B4R0.1 COC(N)=O HY-Y1401 [0,1,0,0,0,0|2,1,0]=4 71 B4R0.1 C[C@@H](N)CO HY-W010646 [0,1,0,0,0,0|3,0,0]=4 72 B4R0.1 C[C@@H](O)CN HY-W002295 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,1,0,0,0,0|3,0,0]=4 74 B4R0.2 BrCCCBr HY-Y1806 [0,1,0,0,0,0|3,0,0]=4 75 B4R0.2 C#CCCO HY-W001947 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.2 C=CCCN HY-W019321 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.2 C=CCSC HY-128447 [0,1,0,0,0,0|1,0,1]=3 78 B4R0.2 CNCCO HY-Y1783 [0,1,0,0,0,0|2,0,0]=3 79 B4R0.2 COCCO HY-139415 [0,1,0,0,0,0|1,1,0]=3 80 B4R0.2 CSSSC HY-128454 [0,1,0,0,0,0|0,0,0]=1 81 B4R0.2 NCCCO HY-Y0139 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.2 O=CCCO HY-N8461 [0,1,0,0,0,0|3,0,0]=4 83 B4R0.2 OCCCBr HY-W007337 [0,1,0,0,0,0|3,0,0]=4 84 B4R0.2 OCCCO HY-W017758 [0,1,0,0,0,0|3,0,0]=4 85 B4R0.2 OCCCS HY-W090210 [0,1,0,0,0,0|3,0,0]=4 86 B4R1.1 C1CNC1 HY-W010628 [0,0,0,1,0,0|2,0,0]=3 87 B1R0.1 C#N HY-W540000 [2,0,0,0,0,0|1,0,1]=4 88 B1R0.1 CC HY-D1005 [2,0,0,0,0,0|0,0,0]=2 89 B1R0.1 CC HY-D1005A [2,0,0,0,0,0|0,0,0]=2 90 B1R0.1 CC HY-D1005B [2,0,0,0,0,0|0,0,0]=2 91 B1R0.1 CC HY-D1005F [2,0,0,0,0,0|0,0,0]=2 92 B1R0.1 CC HY-D1005H [2,0,0,0,0,0|0,0,0]=2 93 B1R0.1 ClCl HY-W033573 [2,0,0,0,0,0|2,0,0]=4 94 B1R0.1 Cl[Ag] HY-W019929 [2,0,0,0,0,0|2,0,0]=4 95 B1R0.1 Cl[K] HY-Y0537 [2,0,0,0,0,0|2,0,0]=4 96 B1R0.1 Cl[K] HY-Y0537C [2,0,0,0,0,0|2,0,0]=4 97 B1R0.1 Cl[K] HY-Y0537E [2,0,0,0,0,0|2,0,0]=4 98 B1R0.1 F[Ag] HY-Y0975 [2,0,0,0,0,0|2,0,0]=4 99 B1R0.1 I[Cs] HY-W040160 [2,0,0,0,0,0|2,0,0]=4 100 B1R0.1 NO HY-Y0882 [2,0,0,0,0,0|1,1,0]=4 101 B1R0.1 O=[Ni] HY-W075770 [2,0,0,0,0,0|1,1,0]=4 102 B1R0.1 O=[Zn] HY-W116336B [2,0,0,0,0,0|1,1,0]=4 103 B1R0.1 O=[Zn] HY-W116336D [2,0,0,0,0,0|1,1,0]=4 104 B1R0.1 S=[Zn] HY-B1821 [2,0,0,0,0,0|1,0,1]=4 105 B1R0.1 [15NH2]Cl HY-Y1269S [2,0,0,0,0,0|2,0,0]=4 106 B1R0.1 [Cu]I HY-Y0961 [2,0,0,0,0,0|2,0,0]=4 107 B1R0.1 [K]Br HY-Y1673 [2,0,0,0,0,0|2,0,0]=4 108 B1R0.1 [K]I HY-Y0283 [2,0,0,0,0,0|2,0,0]=4 109 B1R0.1 [Li]Cl HY-Y0649 [2,0,0,0,0,0|2,0,0]=4 110 B1R0.1 [Li]Cl HY-Y0649D [2,0,0,0,0,0|2,0,0]=4 111 B1R0.1 [Na]Cl HY-Y0344D [2,0,0,0,0,0|2,0,0]=4 112 B1R0.1 [Na]Cl HY-Y0344I [2,0,0,0,0,0|2,0,0]=4 113 B1R0.1 [Na]I HY-B1770 [2,0,0,0,0,0|2,0,0]=4 114 B1R0.1 [Na][Na] HY-W094507 [2,0,0,0,0,0|2,0,0]=4 115 B3R0.2 CB(O)O HY-34449 [1,1,0,0,0,0|1,1,0]=4 116 B3R0.2 CC(=O)O HY-13443A [1,1,0,0,0,0|1,1,0]=4 117 B3R0.2 CC(=O)O HY-75153 [1,1,0,0,0,0|1,1,0]=4 118 B3R0.2 CC(=O)O HY-P0052A [1,1,0,0,0,0|1,1,0]=4 119 B3R0.2 CC(=O)O HY-W094353 [1,1,0,0,0,0|1,1,0]=4 120 B3R0.2 CC(=O)O HY-Y0849C [1,1,0,0,0,0|1,1,0]=4 121 B3R0.2 CC(C)[O-] HY-133023 [1,1,0,0,0,0|1,0,0]=3 122 B3R0.2 CC(N)=O HY-Y0946 [1,1,0,0,0,0|1,1,0]=4 123 B3R0.2 CC(N)=S HY-Y0698 [1,1,0,0,0,0|1,0,1]=4 124 B3R0.2 CN(C)C HY-Y0504 [1,1,0,0,0,0|1,0,0]=3 125 B3R0.2 CN(C)C HY-Y0504R [1,1,0,0,0,0|1,0,0]=3 126 B3R0.2 CS(C)=O HY-Y0320R [1,1,0,0,0,0|0,0,1]=3 127 B3R0.2 C[13C](=O)O HY-W772341 [1,1,0,0,0,0|1,1,0]=4 128 B3R0.2 C[Cr](C)C HY-D1163 [1,1,0,0,0,0|1,0,0]=3 129 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.1 CC(=O)CCO HY-W051287 [0,2,0,0,0,0|2,0,0]=4 131 B5R0.1 CC(=O)NCO HY-W024564 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.1 CC(C)=CCO HY-W013035 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.1 CC(O)CCO HY-77490A [0,2,0,0,0,0|2,0,0]=4 134 B5R0.1 CCSC(=N)N HY-101252 [0,2,0,0,0,0|1,0,1]=4 135 B5R0.1 C[C@@H](O)CCO HY-77490 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.3 CCC(=O)CO HY-W005327 [0,2,0,0,0,0|2,0,0]=4 137 B5R0.3 CCC(C)C=O HY-W020678 [0,2,0,0,0,0|2,0,0]=4 138 B5R0.3 CNC(=S)NC HY-W027951 [0,2,0,0,0,0|2,0,0]=4 139 B5R0.3 COC(=O)CN HY-Y1789 [0,2,0,0,0,0|1,1,0]=4 140 B5R0.4 CC[N+](C)(C)C HY-W101257 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.4 COS(C)(=O)=O HY-W004702 [0,2,0,0,0,0|0,1,1]=4 142 B5R0.4 COS(C)(=O)=O HY-W004702R [0,2,0,0,0,0|0,1,1]=4 143 B5R0.4 CO[Si](C)(C)C HY-104035E [0,2,0,0,0,0|1,1,0]=4 144 B5R0.5 CC(=O)N(C)C HY-W042416 [0,2,0,0,0,0|2,0,0]=4 145 B5R0.5 CC(O)C(C)O HY-128387 [0,2,0,0,0,0|2,0,0]=4 146 B5R0.5 CC(O)C(C)O HY-128387R [0,2,0,0,0,0|2,0,0]=4 147 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,2,0,0,0,0|2,0,0]=4 148 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,2,0,0,0,0|2,0,0]=4 149 B5R0.2 CCCSSC HY-N7436 [0,2,0,0,0,0|0,0,0]=2 150 B5R0.2 CCSCCCl HY-W199190 [0,2,0,0,0,0|1,0,0]=3 151 B5R0.2 CC\C=C/CO HY-W030347 [0,2,0,0,0,0|2,0,0]=4 152 B5R0.2 NCCCCO HY-W002041 [0,2,0,0,0,0|2,0,0]=4 153 B5R0.2 OC\C=C/CO HY-W027631 [0,2,0,0,0,0|2,0,0]=4 154 B5R1.2 FC1CNC1 HY-W001606 [0,1,0,1,0,0|2,0,0]=4 155 B5R1.2 IC1COC1 HY-W016306 [0,1,0,1,0,0|1,1,0]=4 156 B5R1.2 O=C1CCO1 HY-107931 [0,1,0,1,0,0|1,1,0]=4 157 B5R1.2 OC1CCC1 HY-W013042 [0,1,0,1,0,0|2,0,0]=4 158 B5R1.2 OC1CNC1 HY-40144 [0,1,0,1,0,0|2,0,0]=4 159 B5R1.3 BrCC1CC1 HY-Y1100 [0,1,0,1,0,0|2,0,0]=4 160 B5R1.3 OCC1CO1 HY-Y1010 [0,1,0,1,0,0|1,1,0]=4