smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 ZINC000013601064 717108697 /nfs/dbraw/zinc/10/86/97/717108697.db2.gz NFFZKRFNBGWRHM-HYARGMPZSA-N 2 0 382.335 3.928 1 30 GHEFRP C[NH+](C)CCC/[NH+]=C1\CC(C)(C)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027097100 207322552 /nfs/dbraw/zinc/32/25/52/207322552.db2.gz ZBIXLUZIDAKTEL-PXLXIMEGSA-N 2 0 375.900 3.605 1 30 GHEFRP C=CC[N@@H+]1CCc2cc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2C1 ZINC000043011631 212042751 /nfs/dbraw/zinc/04/27/51/212042751.db2.gz DPBDOHDRLDNYOJ-UHFFFAOYSA-N 2 0 384.483 3.920 1 30 GHEFRP