smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c21	ZINC000004758065	552476217	/nfs/dbraw/zinc/47/62/17/552476217.db2.gz	DDKDSWQHAXKQDV-UHFFFAOYSA-N	-1	1	506.191	4.451	10	0		KIAEMM
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]c2ccc(Br)cc2F)C[C@H]1C	ZINC000004759402	552476411	/nfs/dbraw/zinc/47/64/11/552476411.db2.gz	SDSNCKSJMDAIRB-SECBINFHSA-N	-1	1	506.191	4.449	10	0		KIAEMM
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]c2ccc(Br)cc2F)C[C@@H]1C	ZINC000004759405	552476678	/nfs/dbraw/zinc/47/66/78/552476678.db2.gz	SDSNCKSJMDAIRB-VIFPVBQESA-N	-1	1	506.191	4.449	10	0		KIAEMM
CCO[P@](=O)([O-])CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000072131265	553642606	/nfs/dbraw/zinc/64/26/06/553642606.db2.gz	LATYBRBTXVRWCU-PLXFJCCSSA-N	-1	1	590.768	4.458	10	0	in-vitro	KIAEMM
CCO[P@](=O)([O-])CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000072131266	553642601	/nfs/dbraw/zinc/64/26/01/553642601.db2.gz	LATYBRBTXVRWCU-UMFSSWHCSA-N	-1	1	590.768	4.458	10	0	in-vitro	KIAEMM
COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-]	ZINC000116378679	571443344	/nfs/dbraw/zinc/44/33/44/571443344.db2.gz	QFNHIDANIVGXPE-IBVKSMDESA-N	-1	1	569.662	4.159	10	0		KIAEMM
COc1ccc(CN(C(=O)[C@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-]	ZINC000116378681	571443309	/nfs/dbraw/zinc/44/33/09/571443309.db2.gz	QFNHIDANIVGXPE-RXFWQSSRSA-N	-1	1	569.662	4.159	10	0		KIAEMM
COc1ccc(CN(C(=O)[C@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-]	ZINC000116378684	571443366	/nfs/dbraw/zinc/44/33/66/571443366.db2.gz	QFNHIDANIVGXPE-FQRUVTKNSA-N	-1	1	569.662	4.159	10	0		KIAEMM