smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH+]1CCC(C[N@H+]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000217679757 432656600 /nfs/dbraw/zinc/65/66/00/432656600.db2.gz XNISGSDFTCOCND-HXUWFJFHSA-N 2 1 315.505 3.096 50 70 DGIAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC000217715323 432656811 /nfs/dbraw/zinc/65/68/11/432656811.db2.gz DATOARSXHWSEHV-RUYXUALKSA-N 2 1 310.441 3.317 50 70 DGIAMP COc1ccc2cc(C[N@@H+]3C[C@@H]4[C@@H](C[NH+](C)C)[C@@H]4C3)ccc2c1 ZINC000217854865 432656934 /nfs/dbraw/zinc/65/69/34/432656934.db2.gz FXCXKIRDIQOEAU-OWZKRDHZSA-N 2 1 310.441 3.088 50 70 DGIAMP