smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000216852129 568468325 /nfs/dbraw/zinc/46/83/25/568468325.db2.gz VSBSBVDGTMBDIX-UHFFFAOYSA-N 2 2 407.543 4.486 40 70 HIIBLP CSc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(OCc3ccccc3)cc2)[nH+]1 ZINC000216852086 568468281 /nfs/dbraw/zinc/46/82/81/568468281.db2.gz FVMUOYGTLQASTQ-UHFFFAOYSA-N 2 2 421.570 4.273 40 70 HIIBLP