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1e6 drug-like molecules generated by lacan — approx. 1,000,000 rows, last changed
2 months
ago, licensed under CC-BY-4.0
| Row ID | smiles | idn |
|---|---|---|
| 21 | Oc1ccc2ccc(-n3cncn3)cc2c1 | YIYVIEZFQCJFCL |
| 22 | Cc1ccc(-n2c(N)nc3ccccc32)cc1 | WRXFQULKSDREIV |
| 23 | COc1ncc(-c2ccccc2OC)cn1 | DGHPNYXJGPLRMZ |
| 24 | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCc1nc(Cc2nn[nH]n2)nc2ccccc12 | DJPLMMWBAKTLHC |
| 25 | COc1ccc(CCC(C)(C)C)c(O)c1 | KIYCRILFKZLEEH |
| 26 | CN(C)CCNC1CC(OCC(F)(F)F)C(O)C1OC(N)=O | VGWXTDGBXNENNR |
| 27 | CCS(=O)(=O)c1nc(OC)c2sccc2n1 | ISIOBGWCNJQNLH |
| 28 | O=C(NCC(O)Cc1ccc2[nH]ncc2c1)N1CCOCC1 | ICUQUISLAGGRCT |
| 29 | COc1ccc2oc(-c3ccc4c(c3)CCC(=O)N4)cc(=O)c2c1 | VUPNXSDQBMEHIB |
| 30 | O=C(O)CCNC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1 | LZAUXBDQHFONOH |