smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCc1cc(=O)[n-]cn1 217785380 168158731 /nfs/dbraw/zinc/15/87/31/168158731.db2.gz BDJZUMWXJZAFKA-UHFFFAOYSA-N -1 3 168.196 0.761 40 70 ACIBHM O=c1[n-]cnc2c1NCCS2 217467418 171181437 /nfs/dbraw/zinc/18/14/37/171181437.db2.gz HLPIIJKIXASNPE-UHFFFAOYSA-N -1 3 169.209 0.700 40 70 ACIBHM