smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc(O)c(O)cc4[C@H]3[C@@H]21 ZINC000096909153 185391020 /nfs/dbraw/zinc/39/10/20/185391020.db2.gz VCMOJZNESSZVCD-BYNSBNAKSA-N 1 1 303.314 0.725 1 10 DCCFMO O=C1c2cc(C[NH2+]C[C@@H](O)CO)oc2C(=O)c2ccccc21 ZINC000038818187 183010157 /nfs/dbraw/zinc/01/01/57/183010157.db2.gz HQQXCEOROSLGAX-SECBINFHSA-N 1 1 301.298 0.498 1 10 DCCFMO O=C1c2cc(C[NH2+]C[C@H](O)CO)oc2C(=O)c2ccccc21 ZINC000038818186 183009880 /nfs/dbraw/zinc/00/98/80/183009880.db2.gz HQQXCEOROSLGAX-VIFPVBQESA-N 1 1 301.298 0.498 1 10 DCCFMO