Dateien nach "xyz" hochladen

2026-07-15 12:43:55 +02:00 · 2026-07-15 12:43:55 +02:00 · c947b5c15f
commit c947b5c15f
parent f81fd27347
1 changed files with 23 additions and 0 deletions
--- a/xyz/smiles.txt
+++ b/xyz/smiles.txt
@ -0,0 +1,23 @@
+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