HCID 178438991, 화합물 → HCID 178444995, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH:16]1[O:17][C:18](=[O:24])[CH:19]([CH2:21][C:22]#[CH:23])[CH2:20]1)=[O:25].[CH:26]12[CH:27]([NH:33][C:34](=[O:35])[CH:36]([CH3:37])[CH2:38][CH:39]([OH:40])[CH:41]([NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH2:28][CH:29]([CH2:30][CH2:31]1)[CH2:32]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH:16]([OH:17])[CH2:20][CH:19]([C:18](=[O:24])[NH:33][CH:27]1[CH:26]2[CH2:31][CH2:30][CH:29]([CH2:28]1)[CH2:32]2)[CH2:21][C:22]#[CH:23])=[O:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-140990bab44f4b048312ca44e493bc6a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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