0 B4R0.2 CCCNC HY-W250110E [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CCCNC HY-W250110I [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 O=COO[Na] HY-ER013B [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 [Li]OOC=O HY-Y0292 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.1 NCCS HY-77591R [1,0,0,0,0,0|1,1,0]=3 5 B3R0.1 N[13CH2][13CH2]O HY-W035903S [1,0,0,0,0,0|1,0,1]=3 6 B3R0.1 O=CO[Na] HY-W088065 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.1 O=[13CH]O[Na] HY-W088065S [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 OCCO HY-Y0873 [1,0,0,0,0,0|1,0,1]=3 9 B3R0.1 OCCO HY-Y0873A3 [1,0,0,0,0,0|1,0,1]=3 10 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 CNCC(=O)O HY-W012791 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.1 C\C=C\C(C)=O HY-34748 [0,1,0,0,0,0|0,0,2]=3 13 B5R0.1 NOCC(=O)O HY-107994A [0,1,0,0,0,0|2,0,0]=3 14 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.2 C=CCCCO HY-W010639 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.3 CCC(O)CC HY-W087988 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.3 CC[C@H](C)CO HY-W093104 [0,1,0,0,0,0|0,0,2]=3 18 B5R0.3 CC[PH](=O)CC HY-W094280 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.3 OCC(Cl)CO HY-W585827 [0,1,0,0,0,0|1,0,2]=4 20 B5R0.3 OCC(O)CS HY-W010572 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,1,0,0,0,0|1,0,2]=4 24 B5R1.1 C1CSCN1 HY-I0144 [0,0,0,1,0,0|1,1,1]=4 25 B5R1.2 C[C@H]1CCN1 HY-35279 [0,0,0,1,0,0|1,0,1]=3 26 B2R0.1 C=CO HY-Y0850L [2,0,0,0,0,0|0,0,2]=4 27 B2R0.1 C=CO HY-Y0850M [2,0,0,0,0,0|0,0,2]=4 28 B2R0.1 C=CO HY-Y0850O [2,0,0,0,0,0|0,0,2]=4 29 B2R0.1 C=CO HY-Y0850U4 [2,0,0,0,0,0|0,0,2]=4 30 B2R0.1 [15NH2]C=O HY-Y0842S3 [2,0,0,0,0,0|1,0,0]=3 31 B2R0.1 [2H]OC HY-W025916 [2,0,0,0,0,0|2,0,0]=4 32 B2R0.1 [3H]CC HY-P99179 [2,0,0,0,0,0|1,0,0]=3 33 B4R0.1 C=CC(=O)O HY-W243303B [1,1,0,0,0,0|0,0,2]=4 34 B4R0.1 C=CC(=O)O HY-W243303M [1,1,0,0,0,0|0,0,2]=4 35 B4R0.1 C=CC(N)=O HY-W115727E [1,1,0,0,0,0|0,0,2]=4 36 B4R0.1 CC(=O)CN HY-W004850 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 CCB(O)O HY-W000933 [1,1,0,0,0,0|1,0,1]=4 38 B4R0.1 CSC(=N)N HY-79457 [1,1,0,0,0,0|2,0,0]=4 39 B4R0.1 C[C@H](N)CO HY-Y0837 [1,1,0,0,0,0|0,0,1]=3 40 B4R0.1 C[C@H](O)CO HY-79334 [1,1,0,0,0,0|0,0,1]=3 41 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,1,0,0,0,0|0,0,0]=2 42 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,1,0,0,0,0|2,0,0]=4 43 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,1,0,0,0,0|1,0,0]=3 44 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,1,0,0,0,0|1,0,0]=3 45 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,2,0,0,0,0|0,0,0]=2 47 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,2,0,0,0,0|0,0,1]=3 49 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,2,0,0,0,0|0,0,2]=4 50 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,2,0,0,0,0|0,0,0]=2 51 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,2,0,0,0,0|0,0,2]=4 52 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,2,0,0,0,0|0,0,2]=4 53 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,2,0,0,0,0|0,0,1]=3 54 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,2,0,0,0,0|0,0,0]=2 55 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,2,0,0,0,0|0,0,0]=2 56 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,2,0,0,0,0|0,0,1]=3 63 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,2,0,0,0,0|0,0,2]=4 64 B6R0.5 NCCS(=O)(=O)O HY-B0351 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.6 C#CCOCCBr HY-W190805 [0,2,0,0,0,0|1,0,1]=4 68 B6R0.6 C#CCOCCI HY-W251756 [0,2,0,0,0,0|1,0,1]=4 69 B6R0.6 NCCOCCS HY-140651 [0,2,0,0,0,0|0,1,1]=4 70 B6R0.6 NCCOCCS HY-168937D [0,2,0,0,0,0|0,1,1]=4 71 B6R0.6 OCCOCCO HY-B1952R [0,2,0,0,0,0|0,0,2]=4 72 B6R0.6 [N-]=[N+]=NCCCO HY-151851 [0,2,0,0,0,0|2,0,0]=4 73 B6R1.2 S=C1NCCO1 HY-W038985 [0,1,0,1,0,0|1,0,1]=4 74 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,1,0,1,0,0|1,0,1]=4 75 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,1,0,1,0,0|0,0,2]=4