smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@]1(C)/C=[NH+]\CC(C)(C)NC(=O)[C@@](C)(OC)/C=[NH+]\CC(C)(C)NC1=O ZINC000105507423 206006628 /nfs/dbraw/zinc/00/66/28/206006628.db2.gz UHZFQYYITQQTCZ-NTSHWPEHSA-N 2 1 368.478 0.741 1 0 FCAFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCC(=O)N2CCOCC2)cc1 ZINC000016954278 534962357 /nfs/dbraw/zinc/96/23/57/534962357.db2.gz ZNWKYKMJOPDTHH-UHFFFAOYSA-N 2 1 358.446 0.664 1 0 FCAFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCC(=O)N2CCOCC2)c1 ZINC000016954542 534961493 /nfs/dbraw/zinc/96/14/93/534961493.db2.gz HVPDQNQHEDMUIS-UHFFFAOYSA-N 2 1 360.418 0.110 1 0 FCAFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CNC(=O)N2CCOCC2)c1 ZINC000016956088 534961926 /nfs/dbraw/zinc/96/19/26/534961926.db2.gz OUUBUQCYUIVBMR-UHFFFAOYSA-N 2 1 359.434 0.414 1 0 FCAFMP Cc1ncccc1OC1(C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000065373282 221205098 /nfs/dbraw/zinc/20/50/98/221205098.db2.gz APWKVUAHKUXWSP-UHFFFAOYSA-N 2 1 362.474 0.730 1 0 FCAFMP