smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)O[C@@H]2[C@@H](CO)O[C@H](n3c(Br)nc4c3nc(N)[nH]c4=O)[C@@H]2O1 ZINC000000755128 568929310 /nfs/dbraw/zinc/92/93/10/568929310.db2.gz AXSHOJYKARNQTQ-CRKDRTNXSA-N 0 0 402.205 -0.126 40 0 HBABRN COc1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)ccc1-n1cnnn1 ZINC000001352255 560576795 /nfs/dbraw/zinc/57/67/95/560576795.db2.gz BDBLSRSTGPKWOI-UHFFFAOYSA-N 0 0 402.440 -0.028 40 0 HBABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000001357782 560577808 /nfs/dbraw/zinc/57/78/08/560577808.db2.gz FVMSQGZGHGJCGH-UHFFFAOYSA-N 0 0 411.527 -0.797 40 0 HBABRN CC(=O)Nc1ccn([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)n1 ZINC000001536317 557271882 /nfs/dbraw/zinc/27/18/82/557271882.db2.gz SABGQSSAGOWXJK-UKMLZYKCSA-N 0 0 411.367 -0.474 40 0 HBABRN Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@H](n3cnc4c3ncnc4N)[C@@H](O)[C@H]2O)cc1 ZINC000001574270 569023808 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