smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(N)CCOCC[N+](C)(C)N 3176092 171009551 /nfs/dbraw/zinc/00/95/51/171009551.db2.gz ZNJFJXHVMSJLFA-UHFFFAOYSA-N 2 3 192.307 -1.097 10 5 AABEHP C[N+](C)(N)CCOCC[N+](C)(C)[NH3+] 3176092 171009554 /nfs/dbraw/zinc/00/95/54/171009554.db2.gz ZNJFJXHVMSJLFA-UHFFFAOYSA-N 3 3 192.307 -1.097 10 5 AABEHP C[N+](C)(N)CC[N+](C)(C)[NH3+] 5377540 717099300 /nfs/dbraw/zinc/09/93/00/717099300.db2.gz XFDHTRCMGOLWMR-UHFFFAOYSA-N 3 3 148.254 -1.113 10 5 AABEHP