smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=N\NC(=S)NCC[NH+]1CCCC1)/C(C)=N\NC(=S)NCC[NH+]1CCCC1 ZINC000005572752 556059803 /nfs/dbraw/zinc/05/98/03/556059803.db2.gz IGWZSNMRSXDDLG-KBNZVFGVSA-N 2 0 426.660 0.858 40 30 ICEBRP CC(=N\NC(=S)NCC[NH+]1CCCC1)/C(C)=N/NC(=S)NCC[NH+]1CCCC1 ZINC000017107940 556667599 /nfs/dbraw/zinc/66/75/99/556667599.db2.gz IGWZSNMRSXDDLG-YHARCJFQSA-N 2 0 426.660 0.858 40 30 ICEBRP CC(=N/NC(=S)NCC[NH+]1CCCC1)/C(C)=N\NC(=S)NCC[NH+]1CCCC1 ZINC000104201282 557321865 /nfs/dbraw/zinc/32/18/65/557321865.db2.gz IGWZSNMRSXDDLG-BMJUYKDLSA-N 2 0 426.660 0.858 40 30 ICEBRP