smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc2[nH+]c3ccccc3cc2c1 5391072 169295300 /nfs/dbraw/zinc/29/53/00/169295300.db2.gz UTXPWBKKZFLMPZ-UHFFFAOYSA-N 1 2 194.237 2.970 50 5 AFBALO Nc1cccc2c1ccc1[nH+]cccc12 3163672 169298068 /nfs/dbraw/zinc/29/80/68/169298068.db2.gz KQUCUUMTUKZYAI-UHFFFAOYSA-N 1 2 194.237 2.970 50 5 AFBALO Nc1[nH+]c2ccccc2c2ccccc12 31460423 169308063 /nfs/dbraw/zinc/30/80/63/169308063.db2.gz FVCXJXKLDUJOFA-UHFFFAOYSA-N 1 2 194.237 2.970 50 5 AFBALO