smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2c3c(ccc2NCC[NH2+]CCO)n(CC[NH2+]CCO)nc3-c2cccc(O)c21 ZINC000001583637 562923102 /nfs/dbraw/zinc/92/31/02/562923102.db2.gz YROQEQPFUCPDCP-UHFFFAOYSA-N 2 0 425.489 0.529 10 10 in-man ICCERP O=C1c2cccc(O)c2C(=O)c2c(NCC[NH2+]CCO)ccc(NCC[NH2+]CCO)c21 ZINC000026842601 563037553 /nfs/dbraw/zinc/03/75/53/563037553.db2.gz KWAZOPYMFGJFGI-UHFFFAOYSA-N 2 0 428.489 0.155 10 10 ICCERP