smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534061 1067327560 /nfs/dbraw/zinc/32/75/60/1067327560.db2.gz CXWRFCDPBOVFFR-UHFFFAOYSA-N 0 1 474.440 -1.459 20 10 JACDMN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001161540015 1067327408 /nfs/dbraw/zinc/32/74/08/1067327408.db2.gz NZGBYEZSDHIQLC-UHFFFAOYSA-N 0 1 497.556 -1.384 20 10 JACDMN