smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000013580656	562994463	/nfs/dbraw/zinc/99/44/63/562994463.db2.gz	JNEHUYVPZOKWNK-UHFFFAOYSA-N	-2	0	447.359	3.907	1	30		IHEFRL
CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000096911435	563197851	/nfs/dbraw/zinc/19/78/51/563197851.db2.gz	FHJYZRHKHIDNRT-RQQQWSHVSA-N	-2	0	440.477	3.861	1	30		IHEFRL
CCCC([O-])=C1C(=O)C(CC2=C([O-])C(C(C)=O)=C(O)C(C)(C)C2=O)=C([O-])C(C)(C)C1=O	ZINC000103547046	291366226	/nfs/dbraw/zinc/36/62/26/291366226.db2.gz	DYUHHJHGSINQLU-UHFFFAOYSA-N	-2	0	432.469	3.801	1	30	biogenic,in-vitro	IHEFRL
O=C([O-])C[C@H](O)C[P@](=O)([O-])C#CC1=C(c2ccc(F)cc2)c2ccccc2C12CC2	ZINC000026748991	563036531	/nfs/dbraw/zinc/03/65/31/563036531.db2.gz	UHVMPZSGCRPCSR-KRWDZBQOSA-N	-2	0	426.380	3.740	1	30		IHEFRL
CC(C)c1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc2cc(C(=O)[O-])c(=O)oc21	ZINC000096924059	563198015	/nfs/dbraw/zinc/19/80/15/563198015.db2.gz	HSCBITZOQNSALD-FPYGCLRLSA-N	-2	0	436.416	3.974	1	30		IHEFRL
CC(C)C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccc2c(C#N)cc(C(=O)[O-])n2c1	ZINC000028564800	563057981	/nfs/dbraw/zinc/05/79/81/563057981.db2.gz	TXNWJPNJWYHMHH-PMACEKPBSA-N	-2	0	447.491	3.971	1	30		IHEFRL
CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccc2c(C#N)cc(C(=O)[O-])n2c1	ZINC000028564798	563057850	/nfs/dbraw/zinc/05/78/50/563057850.db2.gz	TXNWJPNJWYHMHH-UXHICEINSA-N	-2	0	447.491	3.971	1	30		IHEFRL
CC(C)C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccc2c(C#N)cc(C(=O)[O-])n2c1	ZINC000028564802	563057985	/nfs/dbraw/zinc/05/79/85/563057985.db2.gz	TXNWJPNJWYHMHH-WOJBJXKFSA-N	-2	0	447.491	3.971	1	30		IHEFRL
CC(C)C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccc2c(C#N)cc(C(=O)[O-])n2c1	ZINC000028564803	563057980	/nfs/dbraw/zinc/05/79/80/563057980.db2.gz	TXNWJPNJWYHMHH-VQTJNVASSA-N	-2	0	447.491	3.971	1	30		IHEFRL
CCc1c2ccccc2n(-c2ccc(F)cc2)c1C#C[P@](=O)([O-])C[C@@H](O)CC(=O)[O-]	ZINC000026748466	563036545	/nfs/dbraw/zinc/03/65/45/563036545.db2.gz	NJLBBYQJKVMMEJ-KRWDZBQOSA-N	-2	0	429.384	3.747	1	30		IHEFRL
CCCCCCCCCCCC(=O)OCCCCN(O)C(=O)COP(=O)([O-])[O-]	ZINC000064446821	563153131	/nfs/dbraw/zinc/15/31/31/563153131.db2.gz	SEIMCLOQPHTQIO-UHFFFAOYSA-N	-2	0	425.459	3.558	1	30		IHEFRL