smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1[nH]cc(C)c2nc3c(ccc4cc(OC)ccc34)c1-2 ZINC000101201581 211397294 /nfs/dbraw/zinc/39/72/94/211397294.db2.gz WRBLYKXVOBUNNX-UHFFFAOYSA-N 1 3 390.531 5.282 1 5 GKBFHO CC[NH+](CC)CCCNc1nccc2c(C)c3nc4cc[nH]cc-4c3c(C)c21 ZINC000029488361 207363312 /nfs/dbraw/zinc/36/33/12/207363312.db2.gz LKRRNQQFDSLVKT-UHFFFAOYSA-N 1 3 375.520 5.025 1 5 GKBFHO CC[NH+](CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3c(C)c21 ZINC000029488361 207363319 /nfs/dbraw/zinc/36/33/19/207363319.db2.gz LKRRNQQFDSLVKT-UHFFFAOYSA-N 1 3 375.520 5.025 1 5 GKBFHO