smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000103108588 136190573 /nfs/dbraw/zinc/19/05/73/136190573.db2.gz NDHQPJYMZNGNOZ-QGOAFFKASA-N 1 2 396.422 4.091 10 10 GICELO O=C1N=C(N2CC[NH+](Cc3ccccc3)CC2)S/C1=C/c1ccccc1Cl ZINC000020289423 210326635 /nfs/dbraw/zinc/32/66/35/210326635.db2.gz PRNIXOBNBVXNBO-XMHGGMMESA-N 1 2 397.931 4.128 10 10 GICELO