smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000122767927 337023624 /nfs/dbraw/zinc/02/36/24/337023624.db2.gz YYMLAFWQVLOBKT-OAHLLOKOSA-N -1 1 319.836 3.733 10 10 DHCEMM Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000122767715 337023700 /nfs/dbraw/zinc/02/37/00/337023700.db2.gz YYMLAFWQVLOBKT-HNNXBMFYSA-N -1 1 319.836 3.733 10 10 DHCEMM O=[N+]([O-])c1ccc([O-])c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 ZINC000014473929 181954299 /nfs/dbraw/zinc/95/42/99/181954299.db2.gz RIBRPNYJLIIJKL-WVQJBOLRSA-N -1 1 324.336 3.833 10 10 DHCEMM O=C1[N-]C(=S)C(=Cc2ccc(Br)cc2)S1 ZINC000043014164 183327812 /nfs/dbraw/zinc/32/78/12/183327812.db2.gz NXUMSCUKUIKFSC-YVMONPNESA-N -1 1 300.202 3.574 10 10 DHCEMM