smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004565579	557541459	/nfs/dbraw/zinc/54/14/59/557541459.db2.gz	XSSGVGGOUZKLAR-MBJXGIAVSA-N	0	2	443.327	-0.252	40	0		IBABLN
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004565581	557541411	/nfs/dbraw/zinc/54/14/11/557541411.db2.gz	XSSGVGGOUZKLAR-QSLWVIQJSA-N	0	2	443.327	-0.252	40	0		IBABLN
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004565582	557541421	/nfs/dbraw/zinc/54/14/21/557541421.db2.gz	XSSGVGGOUZKLAR-XVIXHAIJSA-N	0	2	443.327	-0.252	40	0		IBABLN
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004565583	557541383	/nfs/dbraw/zinc/54/13/83/557541383.db2.gz	XSSGVGGOUZKLAR-ODXJTPSBSA-N	0	2	443.327	-0.252	40	0		IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000019327760	574413939	/nfs/dbraw/zinc/41/39/39/574413939.db2.gz	RVSTWRHIGKXTLG-QAETUUGQSA-N	0	2	436.546	-0.379	40	0	endogenous,in-man	IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000019327763	557498865	/nfs/dbraw/zinc/49/88/65/557498865.db2.gz	RVSTWRHIGKXTLG-QZWWFDLISA-N	0	2	436.546	-0.379	40	0	in-man	IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000019327766	557498887	/nfs/dbraw/zinc/49/88/87/557498887.db2.gz	RVSTWRHIGKXTLG-YVSFHVDLSA-N	0	2	436.546	-0.379	40	0	in-man	IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000019327769	557499170	/nfs/dbraw/zinc/49/91/70/557499170.db2.gz	RVSTWRHIGKXTLG-NCOADZHNSA-N	0	2	436.546	-0.379	40	0	in-man	IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000019332753	556737610	/nfs/dbraw/zinc/73/76/10/556737610.db2.gz	RVSTWRHIGKXTLG-MWDXBVQZSA-N	0	2	436.546	-0.379	40	0	endogenous,in-man	IBABLN
NS(=O)(=O)c1ccc(C(=S)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1	ZINC000019594446	556830375	/nfs/dbraw/zinc/83/03/75/556830375.db2.gz	YQCHOBKSZKGPKP-ZDUSSCGKSA-N	0	2	425.492	-0.476	40	0		IBABLN
NS(=O)(=O)c1ccc(C(=S)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1	ZINC000019594446	556830370	/nfs/dbraw/zinc/83/03/70/556830370.db2.gz	YQCHOBKSZKGPKP-ZDUSSCGKSA-N	0	2	425.492	-0.476	40	0		IBABLN
NS(=O)(=O)c1ccc(C(=S)NCCC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1	ZINC000019594448	556830398	/nfs/dbraw/zinc/83/03/98/556830398.db2.gz	YQCHOBKSZKGPKP-CYBMUJFWSA-N	0	2	425.492	-0.476	40	0		IBABLN
NS(=O)(=O)c1ccc(C(=S)NCCC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1	ZINC000019594448	556830397	/nfs/dbraw/zinc/83/03/97/556830397.db2.gz	YQCHOBKSZKGPKP-CYBMUJFWSA-N	0	2	425.492	-0.476	40	0		IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000238781901	574420433	/nfs/dbraw/zinc/42/04/33/574420433.db2.gz	RVSTWRHIGKXTLG-LUKYLMHMSA-N	0	2	436.546	-0.379	40	0	endogenous,in-man	IBABLN
CC(C)N(C(C)C)C(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C	ZINC000254837784	574421894	/nfs/dbraw/zinc/42/18/94/574421894.db2.gz	RVSTWRHIGKXTLG-NXOAAHMSSA-N	0	2	436.546	-0.379	40	0	endogenous,in-man	IBABLN
Cn1c2ccc(CCC(=O)N[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)cc2n(C)c1=O	ZINC000257264600	568695320	/nfs/dbraw/zinc/69/53/20/568695320.db2.gz	LVFCCOFHULRPFZ-QLVMHMETSA-N	0	2	429.521	-0.360	40	0		IBABLN