smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2n(c1C[NH+]1CCCCC1)CCn1c(CN3CCCCC3)ccc1-2 ZINC000075279441 571159453 /nfs/dbraw/zinc/15/94/53/571159453.db2.gz TYPFABDCIWQNAI-UHFFFAOYSA-N 1 3 366.553 4.250 50 10 FICAHO C[NH+](CCCCCC[N@@H+](C)Cc1ccccc1O)Cc1ccccc1[O-] ZINC000001803948 570508210 /nfs/dbraw/zinc/50/82/10/570508210.db2.gz OOKVIAGCVJKVCS-UHFFFAOYSA-N 1 3 356.510 4.222 50 10 FICAHO C[NH+](CCCCCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1[O-] ZINC000001803948 570508212 /nfs/dbraw/zinc/50/82/12/570508212.db2.gz OOKVIAGCVJKVCS-UHFFFAOYSA-N 1 3 356.510 4.222 50 10 FICAHO C[NH+](CCCCCC[N@H+](C)Cc1ccccc1[O-])Cc1ccccc1O ZINC000001803948 570508213 /nfs/dbraw/zinc/50/82/13/570508213.db2.gz OOKVIAGCVJKVCS-UHFFFAOYSA-N 1 3 356.510 4.222 50 10 FICAHO C[NH+](CCCCCC[N@@H+](C)Cc1ccccc1[O-])Cc1ccccc1O ZINC000001803948 570508218 /nfs/dbraw/zinc/50/82/18/570508218.db2.gz OOKVIAGCVJKVCS-UHFFFAOYSA-N 1 3 356.510 4.222 50 10 FICAHO