smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1sc2ccsc2c1[O-] 59209755 169143692 /nfs/dbraw/zinc/14/36/92/169143692.db2.gz PLVCZQRKHIRIAL-UHFFFAOYSA-N -1 0 199.256 2.552 10 10 AFCERM Cc1cc(C)c2scc([O-])c2c1O 238501435 573743073 /nfs/dbraw/zinc/74/30/73/573743073.db2.gz ZFVGJBWQPQCBKK-UHFFFAOYSA-N -1 0 194.255 2.929 10 10 AFCERM Cc1cc(C)c2c([O-])csc2n1 104469652 573997518 /nfs/dbraw/zinc/99/75/18/573997518.db2.gz QFXMCLXSIHEDPM-UHFFFAOYSA-N -1 0 179.244 2.619 10 10 AFCERM Cc1ccc2sc(C=O)c([O-])c2c1 238540823 573867722 /nfs/dbraw/zinc/86/77/22/573867722.db2.gz OOBLOISCZCILCM-UHFFFAOYSA-N -1 0 192.239 2.728 10 10 AFCERM