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+](C)(CC)CCOc1ccc(N(C)CC[N+](C)(CC)CC)cc1 ZINC000005333394 263340515 /nfs/dbraw/zinc/34/05/15/263340515.db2.gz XEEPITQASWLFJS-UHFFFAOYSA-N 2 0 351.579 3.474 40 10 FGCBRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCO)c2c1 ZINC000004428776 493876148 /nfs/dbraw/zinc/87/61/48/493876148.db2.gz DNKBUJPNQWHIHC-UHFFFAOYSA-N 2 0 359.857 3.434 40 10 FGCBRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH2+]C[C@H](C)O)c2c1 ZINC000004428777 493876340 /nfs/dbraw/zinc/87/63/40/493876340.db2.gz KXRXLSMGAGUFJA-LBPRGKRZSA-N 2 0 359.857 3.432 40 10 FGCBRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH2+]C[C@@H](C)O)c2c1 ZINC000006491831 493965066 /nfs/dbraw/zinc/96/50/66/493965066.db2.gz KXRXLSMGAGUFJA-GFCCVEGCSA-N 2 0 359.857 3.432 40 10 FGCBRP