smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]Cc1cc(C(C)(C)C)ccc1[O-] 1679615 168015747 /nfs/dbraw/zinc/01/57/47/168015747.db2.gz DYHJYZGLDKXVEK-UHFFFAOYSA-N 0 3 193.290 2.409 40 10 AECBHN CC[C@H](C)[NH2+]Cc1ccccc1[O-] 19881985 343063340 /nfs/dbraw/zinc/06/33/40/343063340.db2.gz ONQMUHBNFZZQBC-VIFPVBQESA-N 0 3 179.263 2.280 40 10 AECBHN Cc1ccc(CN)n1-c1ccccc1 82887861 343615234 /nfs/dbraw/zinc/61/52/34/343615234.db2.gz ZRFXCEVHNVRVQI-UHFFFAOYSA-N 0 3 186.258 2.244 40 10 AECBHN CC(C)C[NH2+]Cc1ccccc1[O-] 19882994 351396488 /nfs/dbraw/zinc/39/64/88/351396488.db2.gz JOCNIZRVUCZKHD-UHFFFAOYSA-N 0 3 179.263 2.138 40 10 AECBHN CC[C@@H](C)[NH2+]Cc1ccccc1[O-] 19881983 351397117 /nfs/dbraw/zinc/39/71/17/351397117.db2.gz ONQMUHBNFZZQBC-SECBINFHSA-N 0 3 179.263 2.280 40 10 AECBHN