smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[NH+]([C@@](C)(C(=O)OC2CC[N+](C)(C)CC2)c2ccccc2)CC1 ZINC000043196001 205101440 /nfs/dbraw/zinc/10/14/40/205101440.db2.gz NIEKFDVEFLUMLQ-JOCHJYFZSA-N 2 1 359.534 3.416 1 5 FGBFMP C[n+]1c2c3ccccc3[nH]c2c(NCC[NH+]2CCOCC2)c2ccccc21 ZINC000049554640 208421012 /nfs/dbraw/zinc/42/10/12/208421012.db2.gz PRWQMIZGJOTRIC-UHFFFAOYSA-O 2 1 361.469 3.043 1 5 FGBFMP CC1CC[NH+]([C@](C)(C(=O)OC2CC[N+](C)(C)CC2)c2ccccc2)CC1 ZINC000043196000 717128551 /nfs/dbraw/zinc/12/85/51/717128551.db2.gz NIEKFDVEFLUMLQ-QFIPXVFZSA-N 2 1 359.534 3.416 1 5 FGBFMP