smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000016449384	556608992	/nfs/dbraw/zinc/60/89/92/556608992.db2.gz	OCEIONHNTLUMPK-UHFFFAOYSA-N	-1	2	434.455	1.776	40	0		IDABLM
CNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000226860604	556685590	/nfs/dbraw/zinc/68/55/90/556685590.db2.gz	XOQDCSJYITZVTM-UHFFFAOYSA-N	-1	2	434.879	1.756	40	0		IDABLM
C[C@@](O)(/C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)O[P@@](=O)([O-])O	ZINC000206552468	556756145	/nfs/dbraw/zinc/75/61/45/556756145.db2.gz	ZMQRJWIYMXZORG-KEQGKTPJSA-N	-1	2	430.390	1.055	40	0		IDABLM
C[C@@](O)(/C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)O[P@](=O)([O-])O	ZINC000206552468	556756148	/nfs/dbraw/zinc/75/61/48/556756148.db2.gz	ZMQRJWIYMXZORG-KEQGKTPJSA-N	-1	2	430.390	1.055	40	0		IDABLM
Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(SCC(=O)[O-])cc1Cl	ZINC000001637841	555707697	/nfs/dbraw/zinc/70/76/97/555707697.db2.gz	UYBJQMWOCWMWQV-UHFFFAOYSA-N	-1	2	432.915	1.459	40	0		IDABLM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2c(O)[nH]c(=O)[nH]c2=O)C(=O)[O-])n[nH]1	ZINC000408632149	556005281	/nfs/dbraw/zinc/00/52/81/556005281.db2.gz	NVFOIGIKHANRBR-BJMVGYQFSA-N	-1	2	437.821	1.177	40	0		IDABLM
COc1ccc(Cl)cc1-c1nnc(SC(=Cc2c(O)[nH]c(=O)[nH]c2=O)C(=O)[O-])o1	ZINC000408634279	556014585	/nfs/dbraw/zinc/01/45/85/556014585.db2.gz	TUNBQBYLQRYKCJ-BJMVGYQFSA-N	-1	2	438.805	1.441	40	0		IDABLM
O=S(=O)([O-])c1cc(I)c(O)c(I)c1	ZINC000004777950	556011560	/nfs/dbraw/zinc/01/15/60/556011560.db2.gz	WUFWNWSUSBGBSH-UHFFFAOYSA-N	-1	2	425.969	1.848	40	0	in-vitro	IDABLM
CCn1c(SC(=Cc2c(O)[nH]c(=O)[nH]c2=O)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634924	556011533	/nfs/dbraw/zinc/01/15/33/556011533.db2.gz	XZYZNTYJSJSOGV-YRNVUSSQSA-N	-1	2	435.849	1.661	40	0		IDABLM