smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(C[NH3+])Cc1ccc([N+](=O)[O-])cc1 238600675 572861763 /nfs/dbraw/zinc/86/17/63/572861763.db2.gz VALAZGNGZAECEZ-UHFFFAOYSA-N 2 2 193.206 1.116 10 5 ADBELP CC(C)=CC[N+]12CC[NH+](CC1)CC2 59383586 572969376 /nfs/dbraw/zinc/96/93/76/572969376.db2.gz RNLGCBCEHVWPAF-UHFFFAOYSA-N 2 2 181.303 1.099 10 5 ADBELP