smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CCNc2ccnc3cc4ccccc4cc32)cc1 ZINC000001233350 567836507 /nfs/dbraw/zinc/83/65/07/567836507.db2.gz MRCKFNLDQYXIPD-UHFFFAOYSA-N 0 1 298.389 5.043 50 5 CKBAMN c1ccc2c(c1)cc1ccccc1c2Nc1ccncc1 ZINC000003145132 567938502 /nfs/dbraw/zinc/93/85/02/567938502.db2.gz WFTXUYRIMPZEDZ-UHFFFAOYSA-N 0 1 270.335 5.132 50 5 CKBAMN