Water → HCID 178462540, 화합물
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[CH3:40][C:41]#[N:42].[Cl+3:34]([O-:35])([O-:36])([O-:37])[O-:38].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:39].[NH:19]1[CH2:20][CH:21]([c:25]2[n:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:22][CH2:23][CH2:24]1.[OH2:31].[OH2:32].[OH2:33]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:19]2[CH2:20][CH:21]([c:25]3[n:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:22][CH2:23][CH2:24]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-47150badd7954ceca61f373078368fda
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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