smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2[nH]c3c(c[nH+]c4ccccc34)c2cc1C ZINC000000386960 178276634 /nfs/dbraw/zinc/27/66/34/178276634.db2.gz ZBPLPEDXBIATNN-UHFFFAOYSA-N 1 2 246.313 4.486 50 5 BIBALO Cc1c2ccccc2[nH+]c2ccc(Cl)cc12 ZINC000004100752 342742152 /nfs/dbraw/zinc/74/21/52/342742152.db2.gz BWHNDUOBIWFYLY-UHFFFAOYSA-N 1 2 227.694 4.350 50 5 BIBALO CCCc1c2ccccc2[nH+]c2ccccc21 ZINC000004661579 342749870 /nfs/dbraw/zinc/74/98/70/342749870.db2.gz ZSGMOQYDNJRFDX-UHFFFAOYSA-N 1 2 221.303 4.341 50 5 BIBALO