smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014536079 555825031 /nfs/dbraw/zinc/82/50/31/555825031.db2.gz NSQVUHVCGCNBKH-HSZRJFAPSA-N 2 1 463.626 2.653 50 30 JFEAMP C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014536078 555825088 /nfs/dbraw/zinc/82/50/88/555825088.db2.gz NSQVUHVCGCNBKH-QHCPKHFHSA-N 2 1 463.626 2.653 50 30 JFEAMP