Water → HCID 68526880, 화합물
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[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[H:22][H:23].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:20]#[N:21])[c:8]([NH:10][C:11]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)=[O:19])[cH:9]1.[OH2:31]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([C:20]#[N:21])[c:8]([NH:10][C:11]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)=[O:19])[cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-aa62d070038741268419617ef400819f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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