smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H](Nc2cccc3cc[nH+]cc32)c2ccsc2S1 ZINC000216909321 337238575 /nfs/dbraw/zinc/23/85/75/337238575.db2.gz XRSMTOYJJSEUMS-ZBEGNZNMSA-N 1 1 312.463 5.334 20 70 DKIDMO C[C@H]1C[C@@H](Nc2cccc3cc[nH+]cc32)c2ccsc2S1 ZINC000216909350 337238518 /nfs/dbraw/zinc/23/85/18/337238518.db2.gz XRSMTOYJJSEUMS-MEDUHNTESA-N 1 1 312.463 5.334 20 70 DKIDMO