smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]CCN2CCCCC2=O)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020539934 524070575 /nfs/dbraw/zinc/07/05/75/524070575.db2.gz LOJKWBBWCUNVCZ-FQEVSTJZSA-N 1 3 434.581 0.784 50 0 ICAAHO COc1ccc(C[NH2+]CCN2CCCCC2=O)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020539937 524070318 /nfs/dbraw/zinc/07/03/18/524070318.db2.gz LOJKWBBWCUNVCZ-HXUWFJFHSA-N 1 3 434.581 0.784 50 0 ICAAHO CN(CCCCCCCC[N@@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000072309166 556569402 /nfs/dbraw/zinc/56/94/02/556569402.db2.gz HRNNJEPOBAWELM-UHFFFAOYSA-N 1 3 426.602 0.908 50 0 ICAAHO CN(CCCCCCCC[N@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000072309166 556569400 /nfs/dbraw/zinc/56/94/00/556569400.db2.gz HRNNJEPOBAWELM-UHFFFAOYSA-N 1 3 426.602 0.908 50 0 ICAAHO