smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1/N=N/[C@@]1(Cl)C=C(c2ccccc2)C=C[C@@H]1O ZINC000100378519 219097355 /nfs/dbraw/zinc/09/73/55/219097355.db2.gz WXYLLRSSOZMYKR-XJUSPUEMSA-N -1 1 326.783 4.425 10 10 EICEMM O=C1[N-]C(=S)SC1=CC1=CC(=NNc2ccccc2)C=CC1=O ZINC000103305790 219288709 /nfs/dbraw/zinc/28/87/09/219288709.db2.gz KTPJNMCGSNXXTD-QEDPKASPSA-N -1 1 341.417 4.296 10 10 EICEMM [O-]c1ccccc1/N=N/[C@]1(Cl)C=C(c2ccccc2)C=C[C@@H]1O ZINC000100378527 219097812 /nfs/dbraw/zinc/09/78/12/219097812.db2.gz WXYLLRSSOZMYKR-JDGZLABWSA-N -1 1 326.783 4.425 10 10 EICEMM COc1cc(N2CCCCC2)ccc1C=C1SC(=S)[N-]C1=O ZINC000056669467 536827794 /nfs/dbraw/zinc/82/77/94/536827794.db2.gz NTYAYRBULMWIJI-ZROIWOOFSA-N -1 1 334.466 4.015 10 10 EICEMM