0 B5R0.4 CC(C)(N)CO HY-W013027 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.4 CC(C)(N)CO HY-W013027A [0,0,0,0,0,0|2,0,1]=3 2 B5R0.4 CC(C)(O)CN HY-33948 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.4 CC[N+](C)(C)C HY-W101257 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.4 CO[Si](C)(C)C HY-104035E [0,0,0,0,0,0|2,1,1]=4 5 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|0,0,2]=3 18 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.3 CN(C)(C)=O HY-116084 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.3 CS(C)(=O)=O HY-Y1314 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.3 C[N+](C)(C)C HY-W014861 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.3 C[N+](C)(C)C HY-W040184 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.3 C[N+](C)(C)C HY-W095635 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.3 C[N+](C)(C)C HY-W127672 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.3 C[N+](C)(C)C HY-W130431 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.3 C[N+](C)(C)C HY-Y0658 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.3 C[N+](C)(C)[O-] HY-108915 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.3 C[Ti](C)(Cl)Cl HY-106782 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [0,1,0,0,0,0|1,1,0]=3 34 B6R0.5 CC(C)(C)CCO HY-W012977 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.7 [2H]C([2H])(O)C(=O)O HY-W015967S [0,1,0,0,0,0|3,0,0]=4 41 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.8 CC(N)(CO)CO HY-W017054 [0,1,0,0,0,0|2,0,1]=4 43 B6R1.10 CC1(O)CNC1 HY-59333 [0,0,0,1,0,0|1,0,1]=3 44 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,0,1]=4 45 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|1,0,0]=3 46 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|1,0,1]=4 47 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|1,0,1]=4 48 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|1,0,1]=4 49 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|1,0,1]=4 50 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|1,0,1]=4 51 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|1,0,1]=4 52 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|1,0,1]=4 53 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|1,0,1]=4 54 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|1,0,1]=4 55 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|1,0,1]=4 56 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|1,0,1]=4 57 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|1,0,1]=4 58 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|1,0,1]=4 59 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|1,0,1]=4 60 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|1,0,1]=4 61 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|1,0,1]=4 62 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|1,0,1]=4 64 B3R0.2 CB(O)O HY-34449 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|1,0,1]=4 66 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|1,0,1]=4 68 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,1]=3 71 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,1]=4 72 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,1]=4 74 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|1,0,1]=4 75 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,1]=4 76 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.1 C=CCC(=O)O HY-W068697 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 CC(C)=CC=O HY-34409 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|0,0,2]=4 80 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,0,2]=4 81 B5R0.1 CN(C)CC=O HY-100061A [1,1,0,0,0,0|1,0,1]=4 82 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,0,2]=4 83 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.3 NCC(O)CO HY-W002040 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.3 OC(CBr)CBr HY-W014092 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.3 OCC(O)CO HY-B1659R [1,1,0,0,0,0|1,0,1]=4 92 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|1,0,0]=3 97 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|1,0,0]=3 98 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|1,0,0]=3 100 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|1,0,0]=3 101 B5R0.5 CC(O)C(C)O HY-128387 [1,1,0,0,0,0|0,0,2]=4 102 B5R0.5 CC(O)C(C)O HY-128387R [1,1,0,0,0,0|0,0,2]=4 103 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,1,0,0,0,0|0,0,2]=4 104 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|2,0,0]=4 106 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.5 O=C(O)C(O)O HY-W019724 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,2,0,0,0,0|0,0,2]=4 109 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,2,0,0,0,0|0,0,1]=3 110 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,2,0,0,0,0|0,0,2]=4 112 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,2,0,0,0,0|0,0,2]=4 113 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl HY-B1263 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl HY-W089856 [0,2,0,0,0,0|1,0,1]=4 119 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|0,0,2]=4 120 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,0,1]=4 121 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4 122 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|1,0,1]=4