smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1=C(CS/C(NC2CCCCCC2)=[NH+]\C2CCCCCC2)N2CC[NH+]=C2S1 ZINC000049563705 581091251 /nfs/dbraw/zinc/09/12/51/581091251.db2.gz JCVDTZFSFHPHAJ-UHFFFAOYSA-N 2 2 406.665 5.371 1 30 HKEFLP C1=C(CSC(NC2CCCCCCC2)=[NH+]C2CCCCC2)N2CC[NH+]=C2S1 ZINC000049850418 581091343 /nfs/dbraw/zinc/09/13/43/581091343.db2.gz PIGQJSYRAJVXAR-UHFFFAOYSA-N 2 2 406.665 5.371 1 30 HKEFLP