smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000015444128 453573693 /nfs/dbraw/zinc/57/36/93/453573693.db2.gz GMENZWVESJQGIU-UHFFFAOYSA-N 0 2 349.177 3.120 30 0 EGACLN O=C(c1nn(-c2ccc(-c3ccccc3)cc2)c(=O)[nH]1)c1ccccc1 ZINC000015444170 453573660 /nfs/dbraw/zinc/57/36/60/453573660.db2.gz GEGFDAYYFROPAO-UHFFFAOYSA-N 0 2 341.370 3.459 30 0 EGACLN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)[nH]c2=O)c1 ZINC000036533599 213099780 /nfs/dbraw/zinc/09/97/80/213099780.db2.gz RCVMAWWQKRPKIP-UHFFFAOYSA-N 0 2 328.759 3.187 30 0 EGACLN COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)[nH]c1=O ZINC000115680003 1293193745 /nfs/dbraw/zinc/19/37/45/1293193745.db2.gz PGDZJTIWMLFVKA-UHFFFAOYSA-N 0 2 330.731 3.094 30 0 EGACLN