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/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001416093 557260171 /nfs/dbraw/zinc/26/01/71/557260171.db2.gz VDGMKWYSFIMGHQ-XFFZJAGNSA-N 0 0 400.706 5.101 20 10 HKCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(F)cc2F)cc1 ZINC000020215723 558348430 /nfs/dbraw/zinc/34/84/30/558348430.db2.gz OHOVHWDWUFFXLR-UHFFFAOYSA-N 0 0 401.482 5.023 20 10 HKCDRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(F)F ZINC000020551228 521974560 /nfs/dbraw/zinc/97/45/60/521974560.db2.gz XVJTZKBRECHVOR-UEMWTREESA-N 0 0 421.490 5.259 20 10 HKCDRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(F)F ZINC000020551230 521974617 /nfs/dbraw/zinc/97/46/17/521974617.db2.gz XVJTZKBRECHVOR-ZSAINHDTSA-N 0 0 421.490 5.259 20 10 HKCDRN