smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2csc(-c3c(O)cn(CC(C)(C)C[NH+](C)C)c3N)n2)cc1OC ZINC000013014458 523162253 /nfs/dbraw/zinc/16/22/53/523162253.db2.gz KXZLQFFBXRPSGK-UHFFFAOYSA-N 1 3 430.574 2.927 50 30 IFEAHO C#CCN(Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000055211654 518257333 /nfs/dbraw/zinc/25/73/33/518257333.db2.gz LRRMNWZJTPEIEC-HSZRJFAPSA-N 1 3 430.589 2.660 50 30 IFEAHO C#CCN(Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000055211655 518258929 /nfs/dbraw/zinc/25/89/29/518258929.db2.gz LRRMNWZJTPEIEC-QHCPKHFHSA-N 1 3 430.589 2.660 50 30 IFEAHO