smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH2+]CCO)c2c1 ZINC000004428776 493876159 /nfs/dbraw/zinc/87/61/59/493876159.db2.gz DNKBUJPNQWHIHC-UHFFFAOYSA-N 1 3 359.857 3.434 40 10 FGCBHO COc1ccc2nc3cc(Cl)ccc3c(NCC[NH2+]C[C@H](C)O)c2c1 ZINC000004428777 493876341 /nfs/dbraw/zinc/87/63/41/493876341.db2.gz KXRXLSMGAGUFJA-LBPRGKRZSA-N 1 3 359.857 3.432 40 10 FGCBHO COc1ccc2nc3cc(Cl)ccc3c(NCC[NH2+]C[C@@H](C)O)c2c1 ZINC000006491831 493965072 /nfs/dbraw/zinc/96/50/72/493965072.db2.gz KXRXLSMGAGUFJA-GFCCVEGCSA-N 1 3 359.857 3.432 40 10 FGCBHO