0 B4R0.1 C=CC(=O)O HY-W243303J [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C=CC(N)=O HY-W115727D [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(O)CN HY-W015969R [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 CC[C@@H](C)O HY-W087952R [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C[C@H](O)CO HY-79334R [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 N=C(N)NN HY-B1041R [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 O=P(=O)OO HY-B2243H [0,0,0,0,0,0|3,0,1]=4 7 B3R0.1 O=CC=O HY-Y0785 [1,0,0,0,0,0|1,0,1]=3 8 B3R0.1 OCCO HY-Y0873B1 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.3 CCC(=O)O[Na] HY-B1773AR [0,1,0,0,0,0|1,0,0]=2 10 B5R0.3 O=C(CO)CO HY-Y0335R [0,1,0,0,0,0|1,0,0]=2 11 B5R0.3 O=C[C@H](O)CO HY-W008507 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.3 O=[13CH][13CH](O)[13CH2]O HY-128748S4 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.5 CC(=O)N(C)C HY-W042416R [0,1,0,0,0,0|3,0,0]=4 14 B5R0.5 C[13C@H](O)C(=O)O HY-Y0479S3 [0,1,0,0,0,0|1,0,0]=2 15 B2R0.1 C=CO HY-Y0850U7 [2,0,0,0,0,0|0,0,1]=3 16 B2R0.1 C=CO HY-Y0850U9 [2,0,0,0,0,0|0,0,1]=3 17 B2R0.1 CC#[15N] HY-W750600 [2,0,0,0,0,0|1,0,1]=4 18 B2R0.1 [15NH2][13CH]=O HY-Y0842S2 [2,0,0,0,0,0|0,0,0]=2 19 B4R0.2 CCO[13CH]=O HY-W747621 [1,1,0,0,0,0|1,0,0]=3 20 B6R0.1 CCOC(=O)CN HY-148666 [0,2,0,0,0,0|0,0,0]=2 21 B6R0.1 CCOC(=O)[13CH2]N HY-76204S [0,2,0,0,0,0|0,0,0]=2 22 B6R0.1 COC(=O)N=C=O HY-W178414 [0,2,0,0,0,0|1,0,1]=4 23 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723R [0,2,0,0,0,0|1,0,0]=3 24 B6R0.2 O=C(O)C=C(Br)Br HY-133653 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.3 CCC(Br)C(=O)O HY-W015333R [0,2,0,0,0,0|1,0,0]=3 26 B6R0.3 CCC(N)C(=O)O HY-W010590R [0,2,0,0,0,0|0,0,0]=2 27 B6R0.3 COC(=O)C(C)C HY-172377A [0,2,0,0,0,0|1,0,0]=3 28 B6R0.3 C[C@@H](CN)C(=O)O HY-113380R [0,2,0,0,0,0|0,0,0]=2 29 B6R0.3 C\C=C(/C)C(=O)O HY-W012999R [0,2,0,0,0,0|1,0,1]=4 30 B6R0.3 N[13C@@H](CO)C(=O)O HY-N0650S4 [0,2,0,0,0,0|0,0,0]=2 31 B6R0.3 N[C@H](CS)C(=O)O HY-W018555R [0,2,0,0,0,0|0,0,0]=2 32 B6R0.5 O=S(=O)(O)CCS HY-157881 [0,2,0,0,0,0|2,0,0]=4 33 B6R0.7 CC(=O)C(Cl)(Cl)Br HY-133630 [0,2,0,0,0,0|2,0,0]=4 34 B6R0.7 CC(C)(N)C(=O)O HY-Y0124R [0,2,0,0,0,0|0,0,0]=2 35 B6R1.2 O=C1CCOC1 HY-33900R [0,1,0,1,0,0|1,0,0]=3