smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCOC(=O)CCC(=O)OCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 ZINC000016248938 525357885 /nfs/dbraw/zinc/35/78/85/525357885.db2.gz ZWTYUTCDFRLWGM-UHFFFAOYSA-N 2 0 442.600 3.406 40 5 IGBBRP C[N+]1(C)CC[N+](C)(CSCCCCCCSC[N+]2(C)CC[N+](C)(C)CC2)CC1 ZINC000005664850 556061979 /nfs/dbraw/zinc/06/19/79/556061979.db2.gz MWTLCGZXWONDHW-UHFFFAOYSA-N 4 0 434.804 3.001 40 5 IGBBRP CC[N+](C)(CC)CCNC(=O)Nc1ccc(C)c(NC(=O)NCC[N+](C)(CC)CC)c1 ZINC000005065265 556030904 /nfs/dbraw/zinc/03/09/04/556030904.db2.gz FDZREOINKPHYQG-UHFFFAOYSA-P 2 0 436.645 3.211 40 5 IGBBRP