smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])cc2c1 ZINC000034804661 563116396 /nfs/dbraw/zinc/11/63/96/563116396.db2.gz QVEAACTWBQGJBG-SFHVURJKSA-N -2 3 488.456 4.043 1 5 JIBFHL O=C([O-])CCC/C=C(/c1cccnc1)c1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000027844253 563051746 /nfs/dbraw/zinc/05/17/46/563051746.db2.gz DJPVNHLABTYAMF-LSHDLFTRSA-N -2 3 495.557 4.197 1 5 JIBFHL NC(=[NH2+])c1ccc2[nH]c(-c3cc(CCOP(=O)([O-])[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])cc2c1 ZINC000026296030 563026057 /nfs/dbraw/zinc/02/60/57/563026057.db2.gz NXNRJUFNJWZPSV-UHFFFAOYSA-N -2 3 496.416 4.052 1 5 JIBFHL NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])cc2c1 ZINC000034804658 563116403 /nfs/dbraw/zinc/11/64/03/563116403.db2.gz QVEAACTWBQGJBG-GOSISDBHSA-N -2 3 488.456 4.043 1 5 JIBFHL