smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(=O)c2c(NCC[NH2+]CCO)ccc(NCC[NH2+]CCO)c21 ZINC000003871513 557501873 /nfs/dbraw/zinc/50/18/73/557501873.db2.gz FFGSXKJJVBXWCY-UHFFFAOYSA-N 2 0 412.490 0.450 50 10 in-man HCCARP CC[NH+](CC)Cc1cc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N3C2)ccc1OC ZINC000014539649 558659415 /nfs/dbraw/zinc/65/94/15/558659415.db2.gz LFEGKISTJIYCRK-FBVAEJEDSA-N 2 0 418.538 0.475 50 10 HCCARP