smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2cc3c[nH+]ccc3cc2c1OC ZINC000001561147 175226054 /nfs/dbraw/zinc/22/60/54/175226054.db2.gz ZDQCQWXDJLUPIP-UHFFFAOYSA-N 1 2 239.274 3.405 40 5 BGBBLO COc1ccc2cc3cc[nH+]cc3cc2c1OC ZINC000001561336 175225791 /nfs/dbraw/zinc/22/57/91/175225791.db2.gz PENBNJPEHXNYHF-UHFFFAOYSA-N 1 2 239.274 3.405 40 5 BGBBLO [NH2+]=[S@@](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000005824408 351145402 /nfs/dbraw/zinc/14/54/02/351145402.db2.gz SPYDFBWDKGPWNX-QGZVFWFLSA-N 1 2 246.291 3.393 40 5 BGBBLO [NH2+]=[S@](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000006575805 387217096 /nfs/dbraw/zinc/21/70/96/387217096.db2.gz SPYDFBWDKGPWNX-KRWDZBQOSA-N 1 2 246.291 3.393 40 5 BGBBLO COc1cc2ccc3cc[nH+]cc3c2cc1OC ZINC000013281475 175027438 /nfs/dbraw/zinc/02/74/38/175027438.db2.gz AFEJTKPVJUGQHB-UHFFFAOYSA-N 1 2 239.274 3.405 40 5 BGBBLO Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000013283292 371030848 /nfs/dbraw/zinc/03/08/48/371030848.db2.gz VHKXFEZYOOKFKG-UHFFFAOYSA-N 1 2 228.251 3.274 40 5 BGBBLO COc1cc2ccc3c[nH+]ccc3c2cc1OC ZINC000013283755 175027389 /nfs/dbraw/zinc/02/73/89/175027389.db2.gz IAFJERANWHQJRZ-UHFFFAOYSA-N 1 2 239.274 3.405 40 5 BGBBLO