smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[N+]1(CCCCCC[N+](C)(C)C)CCCCC1 ZINC000606422216 570314041 /nfs/dbraw/zinc/31/40/41/570314041.db2.gz OUCSAKSIGZQYHD-UHFFFAOYSA-N 2 0 298.559 4.444 50 5 CIBARP CC[N+](CC)(CC)CCCCCC[N+]1(CC)CCCC1 ZINC000585152207 570253742 /nfs/dbraw/zinc/25/37/42/570253742.db2.gz ARBSXWUELXCRIY-UHFFFAOYSA-N 2 0 284.532 4.054 50 5 CIBARP CCCCC[N+]1(CCCCCC[N+](C)(C)C)CCCC1 ZINC000606422212 570314036 /nfs/dbraw/zinc/31/40/36/570314036.db2.gz ARDXLWSJYVUKLQ-UHFFFAOYSA-N 2 0 284.532 4.054 50 5 CIBARP CC[NH+](CC)CCNc1cc[nH+]c2cc3ccccc3cc12 ZINC000019117447 567877432 /nfs/dbraw/zinc/87/74/32/567877432.db2.gz UWOLEGVHCLTYCB-UHFFFAOYSA-N 2 0 293.414 4.142 50 5 CIBARP CC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC ZINC000016693668 567873776 /nfs/dbraw/zinc/87/37/76/567873776.db2.gz LKQRFOUSRQVNGT-UHFFFAOYSA-N 2 0 286.548 4.300 50 5 CIBARP CC[N+](CC)(CC)CCCCC[N+]1(CC)CCCCC1 ZINC000585152401 570253989 /nfs/dbraw/zinc/25/39/89/570253989.db2.gz ZQJCKPJQCYLJPE-UHFFFAOYSA-N 2 0 284.532 4.054 50 5 CIBARP CC[N+](CC)(CC)CCCCCC[N+]1(CC)CCCCC1 ZINC000585152392 570253785 /nfs/dbraw/zinc/25/37/85/570253785.db2.gz YLKGXODIJGJAGM-UHFFFAOYSA-N 2 0 298.559 4.444 50 5 CIBARP