0 B4R0.1 C=CC(=O)O HY-W243303A [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C=CC(=O)O HY-W243303C [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C=CC(=O)O HY-W243303D [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C=CC(=O)O HY-W243303E [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C=CC(=O)O HY-W243303O [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C=CC(N)=O HY-W115727 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=CC(N)=O HY-W115727A [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C=CC(N)=O HY-W115727B [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(=O)C=O HY-W020014 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CC(=O)CO HY-Y1366 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(=O)NBr HY-131899 [0,0,0,0,0,0|3,1,0]=4 11 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 CC(=O)O[K] HY-Y0319B [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 CC(C)=NO HY-W008840 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 CNC(=N)N HY-W005028 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 COC(N)=O HY-Y1401 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 N=C(N)NN HY-B1041 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 N=C(N)NN HY-W020772 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 NC(=O)CBr HY-W007330 [0,0,0,0,0,0|2,1,1]=4 20 B4R0.1 NC(=O)CCl HY-W010629 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 NC(=O)CI HY-34477 [0,0,0,0,0,0|2,1,1]=4 22 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 NC(=O)NO HY-B0313R [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 NCC(=O)O HY-Y0966 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 NCC(=O)O HY-Y0966R [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 NCC(N)=O HY-Y1123 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 NNC(N)=O HY-Y0470 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 NNC(N)=S HY-Y0032 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 O=C(O)CO HY-W015967 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 O=C(O)[Ba]O HY-Y0827 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.1 O=C(O)[Ca]O HY-W243408C [0,0,0,0,0,0|4,0,0]=4 35 B4R0.1 O=C([Zn])OO HY-B1818 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.1 O=CC(=O)O HY-79494 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 O=C[Pb](=O)O HY-Y1877 [0,0,0,0,0,0|4,0,0]=4 38 B4R0.1 O=[13C](O)O[Na] HY-W251598S [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [0,0,0,0,0,0|4,0,0]=4 41 B3R0.1 C(=O)ON HY-Y0488A [1,0,0,0,0,0|3,0,0]=4 42 B3R0.1 O=[13CH]CO HY-146995S [1,0,0,0,0,0|2,0,1]=4 43 B3R0.2 CC(=O)O HY-13443A [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 CC(=O)O HY-75153 [1,0,0,0,0,0|2,0,1]=4 45 B3R0.2 CC(=O)O HY-P0052A [1,0,0,0,0,0|2,0,1]=4 46 B3R0.2 CC(=O)O HY-W094353 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.2 CC(=O)O HY-Y0849C [1,0,0,0,0,0|2,0,1]=4 48 B3R0.2 CC(N)=O HY-Y0946 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.2 CC(N)=S HY-Y0698 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.2 C[13C](=O)O HY-W772341 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 N=C(N)N HY-B0178A [1,0,0,0,0,0|3,0,0]=4 52 B3R0.2 N=C(N)N HY-D0841 [1,0,0,0,0,0|3,0,0]=4 53 B3R0.2 NC(N)=O HY-Y0271 [1,0,0,0,0,0|3,0,0]=4 54 B3R0.2 NC(N)=O HY-Y0271R [1,0,0,0,0,0|3,0,0]=4 55 B3R0.2 N[13C](N)=O HY-118877 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.2 O=[13C]([O-])O HY-Y0287AS [1,0,0,0,0,0|3,0,0]=4 57 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [1,0,0,0,0,0|3,0,0]=4 58 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 C=CCC(=O)O HY-W068697 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.1 CC(C)=CC=O HY-34409 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.1 CC(C)=CCO HY-W013035 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.4 N#CC(Cl)(Cl)Br HY-133643 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.4 OCC(Cl)(Cl)Cl HY-B1500 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,1,0,0,0,0|3,0,0]=4 68 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,1,0,0,0,0|3,0,0]=4 69 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.5 NC(=S)C(N)=S HY-W010488 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,1,0,0,0,0|3,0,0]=4 73 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,1,0,0,0,0|3,0,0]=4 74 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,1,0,0,0,0|3,0,0]=4 75 B2R0.1 C=CCl HY-W687022A [2,0,0,0,0,0|0,0,0]=2 76 B2R0.1 C=CO HY-Y0850 [2,0,0,0,0,0|1,0,0]=3 77 B2R0.1 C=CO HY-Y0850E [2,0,0,0,0,0|1,0,0]=3 78 B2R0.1 C=CO HY-Y0850H [2,0,0,0,0,0|1,0,0]=3 79 B2R0.1 C=CO HY-Y0850I [2,0,0,0,0,0|1,0,0]=3 80 B2R0.1 C=CO HY-Y0850J [2,0,0,0,0,0|1,0,0]=3 81 B2R0.1 C=CO HY-Y0850K [2,0,0,0,0,0|1,0,0]=3 82 B2R0.1 C=CO HY-Y0850N [2,0,0,0,0,0|1,0,0]=3 83 B2R0.1 C=CO HY-Y0850P [2,0,0,0,0,0|1,0,0]=3 84 B2R0.1 C=CO HY-Y0850U6 [2,0,0,0,0,0|1,0,0]=3 85 B2R0.1 ClClCl HY-W075903 [2,0,0,0,0,0|1,0,0]=3 86 B2R0.1 Cl[Ca]Cl HY-Y0406E [2,0,0,0,0,0|1,0,0]=3 87 B2R0.1 Cl[Ca]Cl HY-Y0406H [2,0,0,0,0,0|1,0,0]=3 88 B2R0.1 Cl[Mg]Cl HY-Y1110H [2,0,0,0,0,0|1,0,0]=3 89 B2R0.1 Cl[Mg]Cl HY-Y1110I [2,0,0,0,0,0|1,0,0]=3 90 B2R0.1 Cl[Mn]Cl HY-W019894 [2,0,0,0,0,0|1,0,0]=3 91 B2R0.1 Cl[Pt]Cl HY-W075885 [2,0,0,0,0,0|1,0,0]=3 92 B2R0.1 Cl[SnH2]Cl HY-Y0481 [2,0,0,0,0,0|1,0,0]=3 93 B2R0.1 NC=O HY-Y0842 [2,0,0,0,0,0|2,0,0]=4 94 B2R0.1 NC=O HY-Y0842B [2,0,0,0,0,0|2,0,0]=4 95 B4R0.3 C[Ti](C)(Cl)Cl HY-106782 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.3 Cl[Pd](Cl)(Cl)Cl HY-W008145 [1,1,0,0,0,0|1,0,0]=3 97 B4R0.3 Cl[Pt](Cl)(Cl)Cl HY-112030 [1,1,0,0,0,0|1,0,0]=3 98 B4R0.3 N[Pt](N)(Cl)Cl HY-17394 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,2,0,0,0,0|1,0,1]=4