smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)C(C)(C)NC(=O)C(F)(F)F)c1 ZINC000774416973 1205871796 /nfs/dbraw/zinc/87/17/96/1205871796.db2.gz JNXNRRVKKRHPFW-UHFFFAOYSA-N -1 2 398.359 0.966 10 0 GCAELM O=P([O-])(O)C(O)(CC[NH+]1CCN(c2ccccc2)CC1)[P@@](=O)([O-])O ZINC000027207153 207324524 /nfs/dbraw/zinc/32/45/24/207324524.db2.gz ANHHJPGACGHMSH-UHFFFAOYSA-N -1 2 380.274 0.200 10 0 GCAELM O=P([O-])(O)C(O)(CC[NH+]1CCN(c2ccccc2)CC1)[P@](=O)([O-])O ZINC000027207153 207324529 /nfs/dbraw/zinc/32/45/29/207324529.db2.gz ANHHJPGACGHMSH-UHFFFAOYSA-N -1 2 380.274 0.200 10 0 GCAELM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)c1C1CC1 ZINC000769871068 1202076940 /nfs/dbraw/zinc/07/69/40/1202076940.db2.gz XROXLUKQLRPSGN-UHFFFAOYSA-N -1 2 378.410 0.913 10 0 GCAELM CNC(=O)c1cc(S(=O)(=O)Nc2c(OC)cc(OC)cc2C(=O)[O-])cn1C ZINC000524320100 1196588028 /nfs/dbraw/zinc/58/80/28/1196588028.db2.gz WTGUXNDOIGIRRR-UHFFFAOYSA-N -1 2 397.409 0.901 10 0 GCAELM