smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(N)c2c(cccc2Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000005974278 181302925 /nfs/dbraw/zinc/30/29/25/181302925.db2.gz NEWZPONDNWYDGT-UHFFFAOYSA-N 1 2 313.342 2.854 1 5 DFBFLO Cc1nc(NCCCn2ccnc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000073167008 191287860 /nfs/dbraw/zinc/28/78/60/191287860.db2.gz JFALNUVMKIFFPD-UHFFFAOYSA-N 1 2 312.333 2.545 1 5 DFBFLO Cc1nc(N(C)Cc2ccccc2)nc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040764395 183130802 /nfs/dbraw/zinc/13/08/02/183130802.db2.gz XDAPHMCXSYLWHV-UHFFFAOYSA-N 1 2 324.344 2.515 1 5 DFBFLO