smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000067621542 558989754 /nfs/dbraw/zinc/98/97/54/558989754.db2.gz SCKCHRZHHURQQR-UHFFFAOYSA-N 1 3 424.564 3.106 50 10 HGCAHO CCN(CC)c1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000012630395 558441626 /nfs/dbraw/zinc/44/16/26/558441626.db2.gz DSXOTSRBWJLYMB-UHFFFAOYSA-N 1 3 402.627 3.449 50 10 HGCAHO