smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(NC1CCC1)[P@@](=O)([O-])O ZINC000005839798 581102195 /nfs/dbraw/zinc/10/21/95/581102195.db2.gz UNLQCNUHOMXEEC-UHFFFAOYSA-N -2 2 245.108 -0.233 1 0 BBAFLL O=P([O-])(O)C(NC1CCC1)[P@](=O)([O-])O ZINC000005839798 581102194 /nfs/dbraw/zinc/10/21/94/581102194.db2.gz UNLQCNUHOMXEEC-UHFFFAOYSA-N -2 2 245.108 -0.233 1 0 BBAFLL CCCNC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000049649355 169254587 /nfs/dbraw/zinc/25/45/87/169254587.db2.gz UOKUTISKLHJRGG-UHFFFAOYSA-N -4 2 233.097 -0.375 1 0 BBAFLL CCCNC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000049649355 169254584 /nfs/dbraw/zinc/25/45/84/169254584.db2.gz UOKUTISKLHJRGG-UHFFFAOYSA-N -2 2 233.097 -0.375 1 0 BBAFLL O=c1ccc(C[P@@](=O)([O-])O)cn1O ZINC000072108177 183000107 /nfs/dbraw/zinc/00/01/07/183000107.db2.gz CZCVFYATDIEMPL-UHFFFAOYSA-N -3 2 205.106 -0.237 1 0 BBAFLL