smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cccc([N+](=O)[O-])c3[O-])nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1	ZINC000033353320	553924374	/nfs/dbraw/zinc/92/43/74/553924374.db2.gz	UNISYXXNNGBABD-KJJARBMXSA-N	-2	1	562.343	4.455	50	30		KIEAML
CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[P@](=O)([O-])O)OC(=O)CCCCCCC	ZINC000036178981	541109679	/nfs/dbraw/zinc/10/96/79/541109679.db2.gz	MBDSUZSCJLRKPC-QGZVFWFLSA-N	-2	1	504.450	4.389	50	30	in-vitro	KIEAML
CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[P@@](=O)([O-])O)OC(=O)CCCCCCC	ZINC000036178981	541109674	/nfs/dbraw/zinc/10/96/74/541109674.db2.gz	MBDSUZSCJLRKPC-QGZVFWFLSA-N	-2	1	504.450	4.389	50	30	in-vitro	KIEAML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OP(=O)([O-])O)OC(=O)CCCCCCC	ZINC000036178981	541109670	/nfs/dbraw/zinc/10/96/70/541109670.db2.gz	MBDSUZSCJLRKPC-QGZVFWFLSA-N	-2	1	504.450	4.389	50	30	in-vitro	KIEAML
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OP(=O)([O-])O)OC(=O)CCCCCCC	ZINC000036178981	541109664	/nfs/dbraw/zinc/10/96/64/541109664.db2.gz	MBDSUZSCJLRKPC-QGZVFWFLSA-N	-2	1	504.450	4.389	50	30	in-vitro	KIEAML
CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])OC(=O)CCCCCCC	ZINC000036178981	541109660	/nfs/dbraw/zinc/10/96/60/541109660.db2.gz	MBDSUZSCJLRKPC-QGZVFWFLSA-N	-3	1	504.450	4.389	50	30	in-vitro	KIEAML
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1	ZINC000100257839	554264998	/nfs/dbraw/zinc/26/49/98/554264998.db2.gz	MCLDMRHCGSKQII-JOCHJYFZSA-N	-2	1	528.945	4.087	50	30		KIEAML
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000100257845	554264876	/nfs/dbraw/zinc/26/48/76/554264876.db2.gz	MCLDMRHCGSKQII-QFIPXVFZSA-N	-2	1	528.945	4.087	50	30		KIEAML
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cc([N+](=O)[O-])ccc3[O-])nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1	ZINC000101386481	554752334	/nfs/dbraw/zinc/75/23/34/554752334.db2.gz	LJSNYRJLOITFDK-MWRNPHMMSA-N	-2	1	562.343	4.455	50	30		KIEAML
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cccc([N+](=O)[O-])c3[O-])nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1	ZINC000101404229	554761076	/nfs/dbraw/zinc/76/10/76/554761076.db2.gz	UNISYXXNNGBABD-MWRNPHMMSA-N	-2	1	562.343	4.455	50	30		KIEAML
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(Cl)c(Cl)c4)ccc3n2)CC1	ZINC000102314835	554911431	/nfs/dbraw/zinc/91/14/31/554911431.db2.gz	RSLSFWKWGOOLIG-UHFFFAOYSA-N	-2	1	534.425	4.076	50	30		KIEAML
COc1cc([C@H](CC(=O)[O-])c2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)ccc1OCc1nccn1C	ZINC000218110007	571603559	/nfs/dbraw/zinc/60/35/59/571603559.db2.gz	MGMLGUUBUUSWJS-QMFCMINHSA-N	-2	1	527.533	4.331	50	30		KIEAML
COc1cc([C@@H](CC(=O)[O-])c2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)ccc1OCc1nccn1C	ZINC000218110078	571603555	/nfs/dbraw/zinc/60/35/55/571603555.db2.gz	MGMLGUUBUUSWJS-AYUJEJKZSA-N	-2	1	527.533	4.331	50	30		KIEAML