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)(C)c1ccc(O)c(C[NH+]2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000067934530 453981999 /nfs/dbraw/zinc/98/19/99/453981999.db2.gz GNAGTJIQVCWMGP-IBGZPJMESA-N 2 1 346.515 3.111 50 10 EGCAMP CC(C)(C)c1ccc(O)c(C[NH+]2CCC([N@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000067934530 453982002 /nfs/dbraw/zinc/98/20/02/453982002.db2.gz GNAGTJIQVCWMGP-IBGZPJMESA-N 2 1 346.515 3.111 50 10 EGCAMP C[N@H+]1CC[C@](C)(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000823754935 1320203493 /nfs/dbraw/zinc/20/34/93/1320203493.db2.gz GGMWVZRXAWKXSF-OAQYLSRUSA-N 2 1 327.516 3.076 50 10 EGCAMP C[N@H+]1CC[C@@](C)(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000823754934 1320203758 /nfs/dbraw/zinc/20/37/58/1320203758.db2.gz GGMWVZRXAWKXSF-NRFANRHFSA-N 2 1 327.516 3.076 50 10 EGCAMP CC(C)(C)c1ccc(O)c(C[NH+]2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000067934531 215253226 /nfs/dbraw/zinc/25/32/26/215253226.db2.gz GNAGTJIQVCWMGP-LJQANCHMSA-N 2 1 346.515 3.111 50 10 EGCAMP CC(C)(C)c1ccc(O)c(C[NH+]2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000067934531 215253230 /nfs/dbraw/zinc/25/32/30/215253230.db2.gz GNAGTJIQVCWMGP-LJQANCHMSA-N 2 1 346.515 3.111 50 10 EGCAMP