smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)/C=C/c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696174 719897968 /nfs/dbraw/zinc/89/79/68/719897968.db2.gz AMYDTDRGXFWVBM-VMPITWQZSA-N 2 2 443.573 3.455 20 5 IGBDLP C[NH+](C)/C=C/c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696174 719897969 /nfs/dbraw/zinc/89/79/69/719897969.db2.gz AMYDTDRGXFWVBM-VMPITWQZSA-N 2 2 443.573 3.455 20 5 IGBDLP C[NH+](C)/C=C\c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696175 719897647 /nfs/dbraw/zinc/89/76/47/719897647.db2.gz AMYDTDRGXFWVBM-YVMONPNESA-N 2 2 443.573 3.455 20 5 IGBDLP C[NH+](C)/C=C\c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696175 719897648 /nfs/dbraw/zinc/89/76/48/719897648.db2.gz AMYDTDRGXFWVBM-YVMONPNESA-N 2 2 443.573 3.455 20 5 IGBDLP