smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(N)c(C=C2C(=O)NC(=O)NC2=O)cc1C=C1C(=O)NC(=O)NC1=O ZINC000004235292 204032683 /nfs/dbraw/zinc/03/26/83/204032683.db2.gz KFUGNWUAGAJPJE-UHFFFAOYSA-N 0 2 384.308 -1.650 40 10 GACBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)cc1 ZINC000102890538 136196470 /nfs/dbraw/zinc/19/64/70/136196470.db2.gz RQDBCASJLZWDCI-NTUHNPAUSA-N 0 2 379.369 -1.143 40 10 GACBLN