smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Cc1ccc(F)cc1)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000160429092 565245260 /nfs/dbraw/zinc/24/52/60/565245260.db2.gz NEDXNVHBJCVHSE-UHFFFAOYSA-N -2 3 378.454 3.178 20 70 GGIDHL O=S(=O)(Cc1cccc(F)c1)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000160422396 565244482 /nfs/dbraw/zinc/24/44/82/565244482.db2.gz GWFVQBQKMNBHQO-UHFFFAOYSA-N -2 3 378.454 3.178 20 70 GGIDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1[O-] ZINC000160867315 565261448 /nfs/dbraw/zinc/26/14/48/565261448.db2.gz GPEHRWWEWUDRQC-UHFFFAOYSA-N -2 3 375.233 3.458 20 70 GGIDHL