smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026846761 563037654 /nfs/dbraw/zinc/03/76/54/563037654.db2.gz VJGPCVUSIIWDTE-UHFFFAOYSA-N 1 3 449.536 2.948 1 10 IFCFHO CCN(CC)CCn1nc2c3c1ccc(NCCN1CC[NH2+]CC1)c3C(=O)c1ccccc1-2 ZINC000028758837 563063581 /nfs/dbraw/zinc/06/35/81/563063581.db2.gz ULXQIVNKJXAZIG-UHFFFAOYSA-N 1 3 446.599 2.907 1 10 IFCFHO CNC(=S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCC[NH+](C)C)cccc21 ZINC000034644434 563086771 /nfs/dbraw/zinc/08/67/71/563086771.db2.gz JMRPXMNDNKNWFX-UHFFFAOYSA-N 1 3 438.601 2.527 1 10 IFCFHO