smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCC(O)CC2)N3C)cc1 ZINC000035442571 560079835 /nfs/dbraw/zinc/07/98/35/560079835.db2.gz MYJIRPJJRPOXRE-FJIJXJHWSA-N 0 1 457.619 0.889 10 10 biogenic JCCEMN