smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1cc[n+]([O-])cc1C2=O ZINC000022040795 207246661 /nfs/dbraw/zinc/24/66/61/207246661.db2.gz GPHHSLMDGKQIJT-UHFFFAOYSA-N 2 2 397.479 1.042 1 10 GDCFLP C[NH+](C)CCNc1nnc(NCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O ZINC000000599205 206307836 /nfs/dbraw/zinc/30/78/36/206307836.db2.gz OTVNDYNVDGMDMZ-UHFFFAOYSA-N 2 2 382.468 1.199 1 10 GDCFLP C[NH+](C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1ncsc1C2=O ZINC000001650461 209335878 /nfs/dbraw/zinc/33/58/78/209335878.db2.gz JMDAJKDMUPMFLN-UHFFFAOYSA-N 2 2 387.509 1.866 1 10 GDCFLP