smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCCc2[nH+]ccn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008430 426387425 /nfs/dbraw/zinc/38/74/25/426387425.db2.gz UFWZDGOYJWPQST-UHFFFAOYSA-N 2 1 311.345 2.840 50 5 DFBAMP C[NH+](C)CCC[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000057406161 184037565 /nfs/dbraw/zinc/03/75/65/184037565.db2.gz DDYKJXLIKRACSQ-UHFFFAOYSA-N 2 1 310.397 2.988 50 5 DFBAMP