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1e6 drug-like molecules generated by lacan — approx. 1,000,000 rows, last changed
1 month
ago, licensed under CC-BY-4.0
| Row ID | smiles | idn |
|---|---|---|
| 11 | Oc1ccc2c(-c3ccc(F)cc3)ccnc2c1 | GJIIYGWUTQBNOD |
| 12 | CCn1ccc(CC(O)Cc2ccc3c(c2)OCO3)n1 | AONPPSZHHPJUQC |
| 13 | O=C(NCCc1ccc2[nH]ncc2c1)Nc1ccncn1 | QTLKGSBKKVZVON |
| 14 | CC(O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 | RUZWCEXSGDBIRT |
| 15 | FC(F)(F)c1ccc(N2CCCC2)cc1 | XAIOGMOTJLWPAJ |
| 16 | c1ccc2c(-c3ccncc3)c[nH]c2c1 | LLJRXVHJOJRCSM |
| 17 | CC(C)(C)C(=O)Nc1cn2cc(C#N)ccc2n1 | DJCWGQZSEFGFEN |
| 18 | Clc1ccc2[nH]nc(-c3ccccc3)c2c1 | ZKNTWHPPAIWTHF |
| 19 | COc1nccc(-c2ccc3c(c2)OCO3)n1 | WIGUIIHBEAJLTR |
| 20 | O=C(COC1CNCC1CO)Nc1c[nH]c2ccc(-c3nc4ccc(C(=O)O)cc4s3)cc12 | BJJYDMWWTICMDR |