smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCC)cc1 ZINC000005782981 717101911 /nfs/dbraw/zinc/10/19/11/717101911.db2.gz NOQYBHUQBVSDRC-UHFFFAOYSA-N 2 0 362.646 6.000 1 5 FKBFRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34 ZINC000026399627 204850030 /nfs/dbraw/zinc/85/00/30/204850030.db2.gz MOPXTAMLOHHYIB-LJQANCHMSA-N 2 0 372.556 6.184 1 5 FKBFRP C[N+]1(CCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1 ZINC000027560172 717114721 /nfs/dbraw/zinc/11/47/21/717114721.db2.gz HKIXQKZEHADONI-UHFFFAOYSA-N 2 0 366.678 6.148 1 5 FKBFRP CC[NH+](CC)CCCNc1[nH+]cc(C)c2c1c1ccc3ccccc3c1n2C ZINC000029334051 220603065 /nfs/dbraw/zinc/60/30/65/220603065.db2.gz ISGFMQIZTMIGMA-UHFFFAOYSA-N 2 0 374.532 5.332 1 5 FKBFRP CC[N+](CC)(CC)CCCCCCCCCCCC[n+]1cccc(C)c1 ZINC000043173456 717128444 /nfs/dbraw/zinc/12/84/44/717128444.db2.gz GKQBLAVHYZMLIZ-UHFFFAOYSA-N 2 0 362.646 6.060 1 5 FKBFRP CC[NH+](CC)CCCNc1[nH+]cc(C)c2[nH]c3ccc4ccccc4c3c21 ZINC000100791079 209217652 /nfs/dbraw/zinc/21/76/52/209217652.db2.gz ZUCLVTHRUPDCNP-UHFFFAOYSA-N 2 0 360.505 5.273 1 5 FKBFRP