smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(NCC[NH2+]C[C@H](O)CO)c2c1 ZINC000006484895 570481482 /nfs/dbraw/zinc/48/14/82/570481482.db2.gz AEZQYPDALGTGLM-ZDUSSCGKSA-N 1 3 375.856 2.405 40 10 GECBHO Cc1cc(OCCOc2ccc(N)cc2)ccc1N1C(=[NH2+])NC(=N)NC1(C)C ZINC000017040572 210201514 /nfs/dbraw/zinc/20/15/14/210201514.db2.gz GCRYKUSDSIVNLW-UHFFFAOYSA-N 1 3 382.468 2.221 40 10 GECBHO COc1ccc2nc3cc(Cl)ccc3c(NCC[NH2+]C[C@@H](O)CO)c2c1 ZINC000004428891 570374950 /nfs/dbraw/zinc/37/49/50/570374950.db2.gz AEZQYPDALGTGLM-CYBMUJFWSA-N 1 3 375.856 2.405 40 10 GECBHO