smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2ccccc2cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000041074185 569526363 /nfs/dbraw/zinc/52/63/63/569526363.db2.gz LZFAPWLTVGOEMK-GDNBJRDFSA-N 0 2 438.237 2.957 10 10 IFCELN COc1ccc(N2CCN(C(=O)C=C(O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000031572076 536677895 /nfs/dbraw/zinc/67/78/95/536677895.db2.gz BDOONUMHGLMPME-UHFFFAOYSA-N 0 2 428.485 2.643 10 10 IFCELN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 ZINC000006508294 132277495 /nfs/dbraw/zinc/27/74/95/132277495.db2.gz AOBLHCMYBCLMQH-DHDCSXOGSA-N 0 2 441.396 2.677 10 10 IFCELN