smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)cs1 ZINC001164692184 719814340 /nfs/dbraw/zinc/81/43/40/719814340.db2.gz NFIKTNDIFZJRAH-UHFFFAOYSA-N 1 3 447.652 5.235 20 0 IKADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164795350 721501726 /nfs/dbraw/zinc/50/17/26/721501726.db2.gz FTWCCIGDMXFEHZ-UHFFFAOYSA-N 1 3 441.623 5.111 20 0 IKADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164795350 721501732 /nfs/dbraw/zinc/50/17/32/721501732.db2.gz FTWCCIGDMXFEHZ-UHFFFAOYSA-N 1 3 441.623 5.111 20 0 IKADHO