smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)c(O)c2)CC1 ZINC000067489639 425911090 /nfs/dbraw/zinc/91/10/90/425911090.db2.gz YXPFTSJUGCWOEX-UHFFFAOYSA-N 2 1 306.450 2.898 50 10 DFCAMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 ZINC000328649795 398568289 /nfs/dbraw/zinc/56/82/89/398568289.db2.gz VCTPLZBWEPBOMC-ICSRJNTNSA-N 2 1 323.440 2.799 50 10 DFCAMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 ZINC000328649795 398568293 /nfs/dbraw/zinc/56/82/93/398568293.db2.gz VCTPLZBWEPBOMC-ICSRJNTNSA-N 2 1 323.440 2.799 50 10 DFCAMP