smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[S+](C)CCC[NH3+] 5085342 560200453 /nfs/dbraw/zinc/20/04/53/560200453.db2.gz XTPSFJKQTTVFCK-UHFFFAOYSA-N 2 0 120.241 0.213 1 30 in-vitro ACEFRP NCC(=[NH2+])Nc1cccc(C[NH3+])c1 13780454 171028090 /nfs/dbraw/zinc/02/80/90/171028090.db2.gz BWNWOGRCONOOAQ-UHFFFAOYSA-N 2 0 178.239 0.093 1 30 ACEFRP