smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000189080576	329374948	/nfs/dbraw/zinc/37/49/48/329374948.db2.gz	DMDNHLVSVHABTM-CYBMUJFWSA-N	0	2	288.174	4.240	20	30		CIEDLN
C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)cc(Cl)c1O	ZINC000443133154	330795535	/nfs/dbraw/zinc/79/55/35/330795535.db2.gz	UQYPATKLKCWWLH-ZDUSSCGKSA-N	0	2	288.174	4.240	20	30		CIEDLN
Cc1csc([C@@H](C#N)C(=O)c2ccc(C(C)C)s2)n1	ZINC000184547902	329259741	/nfs/dbraw/zinc/25/97/41/329259741.db2.gz	IYYDHMJKLGGVGB-JTQLQIEISA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)s1	ZINC000080452270	330131233	/nfs/dbraw/zinc/13/12/33/330131233.db2.gz	SCMJFMNULONVCM-JTQLQIEISA-N	0	2	290.413	4.127	20	30		CIEDLN
N#Cc1cnccc1/C=C\c1cc(Cl)c(O)cc1Cl	ZINC000436579201	330680228	/nfs/dbraw/zinc/68/02/28/330680228.db2.gz	UBFKFUUSUILPKA-UPHRSURJSA-N	0	2	291.137	4.136	20	30		CIEDLN
C=CCC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000494996510	332498837	/nfs/dbraw/zinc/49/88/37/332498837.db2.gz	HPTIVBHVBATCBD-UHFFFAOYSA-N	0	2	288.174	4.240	20	30		CIEDLN
C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cc(Cl)c1O	ZINC000443133153	330795582	/nfs/dbraw/zinc/79/55/82/330795582.db2.gz	UQYPATKLKCWWLH-CYBMUJFWSA-N	0	2	288.174	4.240	20	30		CIEDLN
Cc1cscc1C(=O)C(C#N)c1nc2ccccc2s1	ZINC000429347690	330544216	/nfs/dbraw/zinc/54/42/16/330544216.db2.gz	UJRCHJWZDJAUNO-SNVBAGLBSA-N	0	2	298.392	4.156	20	30		CIEDLN
Cc1cscc1C(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000079172688	334149278	/nfs/dbraw/zinc/14/92/78/334149278.db2.gz	MLJQDBHUDAVLAV-JTQLQIEISA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1cscc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	ZINC000079172688	334149279	/nfs/dbraw/zinc/14/92/79/334149279.db2.gz	MLJQDBHUDAVLAV-JTQLQIEISA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1csc([C@H](C#N)C(=O)c2ccc(C(C)C)s2)n1	ZINC000184547916	329259682	/nfs/dbraw/zinc/25/96/82/329259682.db2.gz	IYYDHMJKLGGVGB-SNVBAGLBSA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1ccsc1C(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000080449250	330131052	/nfs/dbraw/zinc/13/10/52/330131052.db2.gz	PGHPHYIDYJHNOU-SNVBAGLBSA-N	0	2	290.413	4.127	20	30		CIEDLN
C=CCC[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1ccco1	ZINC000552251477	334308867	/nfs/dbraw/zinc/30/88/67/334308867.db2.gz	YUVYBBSEIFJYTD-GOSISDBHSA-N	0	2	298.430	4.009	20	30		CIEDLN
Cc1sccc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	ZINC000453692457	331137687	/nfs/dbraw/zinc/13/76/87/331137687.db2.gz	LHSBNPHATAULDM-LLVKDONJSA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1sccc1C(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000453692457	331137688	/nfs/dbraw/zinc/13/76/88/331137688.db2.gz	LHSBNPHATAULDM-LLVKDONJSA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1sccc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1	ZINC000453692460	331137630	/nfs/dbraw/zinc/13/76/30/331137630.db2.gz	LHSBNPHATAULDM-NSHDSACASA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1sccc1C(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000453692460	331137631	/nfs/dbraw/zinc/13/76/31/331137631.db2.gz	LHSBNPHATAULDM-NSHDSACASA-N	0	2	290.413	4.127	20	30		CIEDLN
CC(C)c1csc(C(C#N)C(=O)c2ccc(Cl)o2)n1	ZINC000080449405	330131076	/nfs/dbraw/zinc/13/10/76/330131076.db2.gz	XFQTTWFFDHHERR-QMMMGPOBSA-N	0	2	294.763	4.003	20	30		CIEDLN
C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000184987372	333134050	/nfs/dbraw/zinc/13/40/50/333134050.db2.gz	QBJXQZCUFDVXAF-QMMMGPOBSA-N	0	2	288.174	4.240	20	30		CIEDLN
Cc1cscc1C(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000079172687	334149256	/nfs/dbraw/zinc/14/92/56/334149256.db2.gz	MLJQDBHUDAVLAV-SNVBAGLBSA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1cscc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1	ZINC000079172687	334149257	/nfs/dbraw/zinc/14/92/57/334149257.db2.gz	MLJQDBHUDAVLAV-SNVBAGLBSA-N	0	2	290.413	4.127	20	30		CIEDLN
C=C(C)C(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000424742579	330456482	/nfs/dbraw/zinc/45/64/82/330456482.db2.gz	GQPPJYGGMJHLOD-UHFFFAOYSA-N	0	2	288.174	4.240	20	30		CIEDLN
C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000184987391	333134031	/nfs/dbraw/zinc/13/40/31/333134031.db2.gz	QBJXQZCUFDVXAF-MRVPVSSYSA-N	0	2	288.174	4.240	20	30		CIEDLN
C=CCC[C@H](NCC[N@@H+](C)Cc1ccccc1)c1ccco1	ZINC000552251478	334308693	/nfs/dbraw/zinc/30/86/93/334308693.db2.gz	YUVYBBSEIFJYTD-SFHVURJKSA-N	0	2	298.430	4.009	20	30		CIEDLN
C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	ZINC000189080597	329374839	/nfs/dbraw/zinc/37/48/39/329374839.db2.gz	DMDNHLVSVHABTM-ZDUSSCGKSA-N	0	2	288.174	4.240	20	30		CIEDLN
C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1O	ZINC000468328422	331432381	/nfs/dbraw/zinc/43/23/81/331432381.db2.gz	JKYPEZKHWXUKMR-QMMMGPOBSA-N	0	2	288.174	4.240	20	30		CIEDLN
CC(C)c1csc(C(C#N)C(=O)c2ccc(Cl)o2)n1	ZINC000080449407	330131006	/nfs/dbraw/zinc/13/10/06/330131006.db2.gz	XFQTTWFFDHHERR-MRVPVSSYSA-N	0	2	294.763	4.003	20	30		CIEDLN
Cc1ccsc1C(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000080449252	330131057	/nfs/dbraw/zinc/13/10/57/330131057.db2.gz	PGHPHYIDYJHNOU-JTQLQIEISA-N	0	2	290.413	4.127	20	30		CIEDLN
Cc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)s1	ZINC000080452266	330131312	/nfs/dbraw/zinc/13/13/12/330131312.db2.gz	SCMJFMNULONVCM-SNVBAGLBSA-N	0	2	290.413	4.127	20	30		CIEDLN