smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(=O)[n-]c(Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1	ZINC000057341768	523089266	/nfs/dbraw/zinc/08/92/66/523089266.db2.gz	PGFFPLLJCXMIDZ-UHFFFAOYSA-N	-1	1	395.768	4.861	10	0		GJAEMM
COc1ccc(-c2cc(=O)[n-]c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	ZINC000057341788	523090461	/nfs/dbraw/zinc/09/04/61/523090461.db2.gz	QFZDQBWNKJNOSP-UHFFFAOYSA-N	-1	1	395.768	4.861	10	0		GJAEMM
O=C(OC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000005260232	204122462	/nfs/dbraw/zinc/12/24/62/204122462.db2.gz	XANCZTCMOQFLMC-UHFFFAOYSA-N	-1	1	393.892	4.630	10	0		GJAEMM
O=C(Nc1ncc(Cl)c(Cl)c1Cl)c1cc(Br)ccc1[O-]	ZINC000002388200	203942158	/nfs/dbraw/zinc/94/21/58/203942158.db2.gz	KCLSGWDERFOUJU-UHFFFAOYSA-N	-1	1	396.455	4.762	10	0		GJAEMM
O=S(=O)([N-]c1ccc2c(c1)[nH]nc2-c1ccccc1Cl)c1ccccc1	ZINC000090494915	206298348	/nfs/dbraw/zinc/29/83/48/206298348.db2.gz	ABJKNBGCNSCWFV-UHFFFAOYSA-N	-1	1	383.860	4.684	10	0		GJAEMM
COc1cccc(-c2cc(=O)[n-]c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1	ZINC000057341645	525699270	/nfs/dbraw/zinc/69/92/70/525699270.db2.gz	RVFUGKCOTRJRDV-UHFFFAOYSA-N	-1	1	395.768	4.861	10	0		GJAEMM
CCc1c(=O)[n-]c(=S)n(COCc2ccccc2)c1Sc1ccccc1	ZINC000000586596	212142777	/nfs/dbraw/zinc/14/27/77/212142777.db2.gz	ALOGFDZIJYDRJL-UHFFFAOYSA-N	-1	1	384.526	4.794	10	0		GJAEMM
COc1cccc(-c2cc(=O)[n-]c(Nc3cc(C(F)(F)F)ccc3Cl)n2)c1	ZINC000057341626	525699220	/nfs/dbraw/zinc/69/92/20/525699220.db2.gz	BWPHDKXHQYTRSD-UHFFFAOYSA-N	-1	1	395.768	4.861	10	0		GJAEMM
O=C1c2n[n-]c(-c3cccs3)c2[C@@H](c2ccccc2Cl)N1c1nccs1	ZINC000096336153	208307841	/nfs/dbraw/zinc/30/78/41/208307841.db2.gz	NZBTVVLMTMHNFH-MRXNPFEDSA-N	-1	1	398.900	4.998	10	0		GJAEMM
O=C1c2[n-]nc(-c3cccs3)c2[C@@H](c2ccccc2Cl)N1c1nccs1	ZINC000096336153	208307849	/nfs/dbraw/zinc/30/78/49/208307849.db2.gz	NZBTVVLMTMHNFH-MRXNPFEDSA-N	-1	1	398.900	4.998	10	0		GJAEMM
CC(C)c1ccc([C@@H]2c3c(n[n-]c3-c3ccco3)C(=O)N2c2nccs2)cc1	ZINC000096336427	208308652	/nfs/dbraw/zinc/30/86/52/208308652.db2.gz	UBHQSICOLIPCFR-LJQANCHMSA-N	-1	1	390.468	4.999	10	0		GJAEMM
O=S(=O)([N-]c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1	ZINC000020301976	207186854	/nfs/dbraw/zinc/18/68/54/207186854.db2.gz	SADCCXWQGPUFOB-UHFFFAOYSA-N	-1	1	381.078	4.557	10	0		GJAEMM
O=C1c2n[n-]c(-c3cccs3)c2[C@H](c2ccccc2Cl)N1c1nccs1	ZINC000096336154	208307752	/nfs/dbraw/zinc/30/77/52/208307752.db2.gz	NZBTVVLMTMHNFH-INIZCTEOSA-N	-1	1	398.900	4.998	10	0		GJAEMM
O=C1c2[n-]nc(-c3cccs3)c2[C@H](c2ccccc2Cl)N1c1nccs1	ZINC000096336154	208307755	/nfs/dbraw/zinc/30/77/55/208307755.db2.gz	NZBTVVLMTMHNFH-INIZCTEOSA-N	-1	1	398.900	4.998	10	0		GJAEMM