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kilian 2026-07-15 11:03:51 +02:00
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Vanilla/smiles.txt Normal file
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Cinnamicacid:
OC(=O)\C=C\c1ccccc1
m-Coumaricacid:
OC(/C=C/C1=CC=CC(O)=C1)=O
p-Coumaricacid:
OC(=O)\C=C\c1ccc(O)cc1
Benzaldehyd:
O=Cc1ccccc1
Caffeicacid:
OC(=O)\C=C\c1ccc(O)c(O)c1
3-Hydroxybenzaldehyd:
Oc1cccc(C=O)c1
4-Hydroxybenzaldehyd:
[H]C(=O)c1ccc(O)cc1
3,4-Dihydroxybenzaldehyd:
Oc1ccc(C=O)cc1O