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@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1	ZINC000159716138	162311659	/nfs/dbraw/zinc/31/16/59/162311659.db2.gz	UIEPIZIVYDTHMM-GZMMTYOYSA-N	-1	3	290.298	2.117	10	70		CEIEHM
Cn1c2[n-]c(=O)cc(C(F)(F)Cl)c2n(C)c1=S	ZINC000217014713	279314744	/nfs/dbraw/zinc/31/47/44/279314744.db2.gz	CNYSDCHYASIPPV-UHFFFAOYSA-N	-1	3	279.699	2.223	10	70		CEIEHM
CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc([O-])cc2)C1	ZINC000160981327	518978261	/nfs/dbraw/zinc/97/82/61/518978261.db2.gz	SUTYPRXKGRNFSB-NSHDSACASA-N	-1	3	283.393	2.449	10	70		CEIEHM
COc1cc(C(=O)N[C@H](C)C(C)C)cc(OC)c1[O-]	ZINC000161262127	367073133	/nfs/dbraw/zinc/07/31/33/367073133.db2.gz	LTFPMLLUINQJHI-SECBINFHSA-N	-1	3	267.325	2.184	10	70		CEIEHM
C[C@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1	ZINC000159716412	162313141	/nfs/dbraw/zinc/31/31/41/162313141.db2.gz	UIEPIZIVYDTHMM-KWQFWETISA-N	-1	3	290.298	2.117	10	70		CEIEHM
C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1	ZINC000159716271	162313706	/nfs/dbraw/zinc/31/37/06/162313706.db2.gz	UIEPIZIVYDTHMM-KCJUWKMLSA-N	-1	3	290.298	2.117	10	70		CEIEHM
COc1cc(C(=O)N[C@@H](C)C(C)C)cc(OC)c1[O-]	ZINC000161262248	367073301	/nfs/dbraw/zinc/07/33/01/367073301.db2.gz	LTFPMLLUINQJHI-VIFPVBQESA-N	-1	3	267.325	2.184	10	70		CEIEHM
CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc([O-])cc2)C1	ZINC000160981208	518943919	/nfs/dbraw/zinc/94/39/19/518943919.db2.gz	SUTYPRXKGRNFSB-LLVKDONJSA-N	-1	3	283.393	2.449	10	70		CEIEHM
C[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1	ZINC000159716009	162313502	/nfs/dbraw/zinc/31/35/02/162313502.db2.gz	UIEPIZIVYDTHMM-LDYMZIIASA-N	-1	3	290.298	2.117	10	70		CEIEHM
CC(C)COc1ccc([C@H](C)NC(=O)c2c[n-]nn2)cc1	ZINC000159539358	366923575	/nfs/dbraw/zinc/92/35/75/366923575.db2.gz	NKHVHRQRXUQZDZ-NSHDSACASA-N	-1	3	288.351	2.331	10	70		CEIEHM
CC(C)COc1ccc([C@H](C)NC(=O)c2cnn[n-]2)cc1	ZINC000159539358	366923581	/nfs/dbraw/zinc/92/35/81/366923581.db2.gz	NKHVHRQRXUQZDZ-NSHDSACASA-N	-1	3	288.351	2.331	10	70		CEIEHM
CC(C)COc1ccc([C@H](C)NC(=O)c2cn[n-]n2)cc1	ZINC000159539358	366923586	/nfs/dbraw/zinc/92/35/86/366923586.db2.gz	NKHVHRQRXUQZDZ-NSHDSACASA-N	-1	3	288.351	2.331	10	70		CEIEHM
CC(C)COc1ccc([C@@H](C)NC(=O)c2c[n-]nn2)cc1	ZINC000159539213	366923505	/nfs/dbraw/zinc/92/35/05/366923505.db2.gz	NKHVHRQRXUQZDZ-LLVKDONJSA-N	-1	3	288.351	2.331	10	70		CEIEHM
CC(C)COc1ccc([C@@H](C)NC(=O)c2cnn[n-]2)cc1	ZINC000159539213	366923511	/nfs/dbraw/zinc/92/35/11/366923511.db2.gz	NKHVHRQRXUQZDZ-LLVKDONJSA-N	-1	3	288.351	2.331	10	70		CEIEHM
CC(C)COc1ccc([C@@H](C)NC(=O)c2cn[n-]n2)cc1	ZINC000159539213	366923515	/nfs/dbraw/zinc/92/35/15/366923515.db2.gz	NKHVHRQRXUQZDZ-LLVKDONJSA-N	-1	3	288.351	2.331	10	70		CEIEHM