smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000096932824 563198966 /nfs/dbraw/zinc/19/89/66/563198966.db2.gz DVPVAUIERLLZCK-UHFFFAOYSA-N 1 3 435.440 2.278 1 5 IEBFHO O=C(NCC[NH2+]CCO)c1ccc2c3c([nH]n2CCN2CCCCC2)c2ccccc2nc31 ZINC000026989140 563038706 /nfs/dbraw/zinc/03/87/06/563038706.db2.gz DNHBVOJCWMPPOV-UHFFFAOYSA-N 1 3 448.571 2.468 1 5 IEBFHO