smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCN=C1CC(C)(C)c2c(Cl)cccc2N1 ZINC000096908687 185127908 /nfs/dbraw/zinc/12/79/08/185127908.db2.gz GULAHBLBBUFFFJ-UHFFFAOYSA-N 1 3 293.842 3.783 1 30 CHEFHO C[NH+](C)CCCN=C1CC(C)(C)c2ccc(Cl)cc2N1 ZINC000096908688 185128119 /nfs/dbraw/zinc/12/81/19/185128119.db2.gz PJQBARGEWWZSHA-UHFFFAOYSA-N 1 3 293.842 3.783 1 30 CHEFHO CCCCCCN1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000045194809 175326834 /nfs/dbraw/zinc/32/68/34/175326834.db2.gz BOMZIFPPQOVVRO-UHFFFAOYSA-N 1 3 299.462 3.693 1 30 CHEFHO C[NH+](C)CCCN=C1CC(C)(C)c2cc(Cl)ccc2N1 ZINC000096908698 185128042 /nfs/dbraw/zinc/12/80/42/185128042.db2.gz CYBQLRQRUWFLLB-UHFFFAOYSA-N 1 3 293.842 3.783 1 30 CHEFHO