smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccccc1	ZINC000216915213	528568670	/nfs/dbraw/zinc/56/86/70/528568670.db2.gz	FRVZJSFGLNFDBP-IRXDYDNUSA-N	1	0	288.435	3.232	40	70		CGIBRO
CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216908297	376168941	/nfs/dbraw/zinc/16/89/41/376168941.db2.gz	GJBOMMVLZMOGBS-OAHLLOKOSA-N	1	0	274.408	3.092	40	70		CGIBRO
CC(C)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccccc1	ZINC000216915142	528356317	/nfs/dbraw/zinc/35/63/17/528356317.db2.gz	FRVZJSFGLNFDBP-IAGOWNOFSA-N	1	0	288.435	3.232	40	70		CGIBRO
CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(C)cc1C	ZINC000216919141	529655052	/nfs/dbraw/zinc/65/50/52/529655052.db2.gz	QNANCMKDVHBVLZ-NVXWUHKLSA-N	1	0	288.435	3.213	40	70		CGIBRO
O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]C/C=C/c4ccccc4)(C3)C1)C2	ZINC000217947682	392996638	/nfs/dbraw/zinc/99/66/38/392996638.db2.gz	VYTXXFKDTFYBJT-SUKQUCNXSA-N	1	0	283.415	3.373	40	70		CGIBRO
CC(C)C[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccccc1	ZINC000216915186	376170299	/nfs/dbraw/zinc/17/02/99/376170299.db2.gz	FRVZJSFGLNFDBP-DLBZAZTESA-N	1	0	288.435	3.232	40	70		CGIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc3ccccc32)C1	ZINC000216782150	392992879	/nfs/dbraw/zinc/99/28/79/392992879.db2.gz	PEUSNOZAHFDKAA-CQSZACIVSA-N	1	0	268.360	3.120	40	70		CGIBRO
CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C)cc1C	ZINC000216924825	376170262	/nfs/dbraw/zinc/17/02/62/376170262.db2.gz	QCRPGVLMNQBKRY-QGZVFWFLSA-N	1	0	288.435	3.213	40	70		CGIBRO
CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919033	376170164	/nfs/dbraw/zinc/17/01/64/376170164.db2.gz	SVPQUZJJMYONGU-IAGOWNOFSA-N	1	0	288.435	3.213	40	70		CGIBRO
C[NH+](C)CCOC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2	ZINC000217763067	262344462	/nfs/dbraw/zinc/34/44/62/262344462.db2.gz	RXPHWWJZBKFPIP-BGOPPPGBSA-N	1	0	279.424	3.088	40	70		CGIBRO
CC[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(C)cc1C	ZINC000216919212	376170251	/nfs/dbraw/zinc/17/02/51/376170251.db2.gz	QNANCMKDVHBVLZ-RDJZCZTQSA-N	1	0	288.435	3.213	40	70		CGIBRO
CCc1cccc(CC)c1NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216908331	376168236	/nfs/dbraw/zinc/16/82/36/376168236.db2.gz	GJBOMMVLZMOGBS-HNNXBMFYSA-N	1	0	274.408	3.092	40	70		CGIBRO
CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C)c(C)c1	ZINC000216924792	376170111	/nfs/dbraw/zinc/17/01/11/376170111.db2.gz	PWWWAEFFTSLFCS-KRWDZBQOSA-N	1	0	288.435	3.213	40	70		CGIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1	ZINC000216905663	376167973	/nfs/dbraw/zinc/16/79/73/376167973.db2.gz	FJEZKJIPJHBBOQ-OAHLLOKOSA-N	1	0	268.360	3.120	40	70		CGIBRO
CC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)OCC[NH+](C)C)(C3)C2	ZINC000217403993	376174462	/nfs/dbraw/zinc/17/44/62/376174462.db2.gz	DQKPQHOBMBCXJN-ZHZCFWQKSA-N	1	0	279.424	3.088	40	70		CGIBRO
CC[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919058	376170197	/nfs/dbraw/zinc/17/01/97/376170197.db2.gz	SVPQUZJJMYONGU-SJORKVTESA-N	1	0	288.435	3.213	40	70		CGIBRO
CC[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919104	376170240	/nfs/dbraw/zinc/17/02/40/376170240.db2.gz	SVPQUZJJMYONGU-IRXDYDNUSA-N	1	0	288.435	3.213	40	70		CGIBRO
CCSc1ccccc1NC(=O)CC1CC[NH+](C)CC1	ZINC000216902376	189706983	/nfs/dbraw/zinc/70/69/83/189706983.db2.gz	XVGXYJGXVUGIKS-UHFFFAOYSA-N	1	0	292.448	3.469	40	70		CGIBRO
CC[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919080	376170482	/nfs/dbraw/zinc/17/04/82/376170482.db2.gz	SVPQUZJJMYONGU-DLBZAZTESA-N	1	0	288.435	3.213	40	70		CGIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1	ZINC000216782201	392992862	/nfs/dbraw/zinc/99/28/62/392992862.db2.gz	PEUSNOZAHFDKAA-AWEZNQCLSA-N	1	0	268.360	3.120	40	70		CGIBRO
CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C)cc1C	ZINC000216924846	376169945	/nfs/dbraw/zinc/16/99/45/376169945.db2.gz	QCRPGVLMNQBKRY-KRWDZBQOSA-N	1	0	288.435	3.213	40	70		CGIBRO
CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccccc1	ZINC000216915165	376170176	/nfs/dbraw/zinc/17/01/76/376170176.db2.gz	FRVZJSFGLNFDBP-SJORKVTESA-N	1	0	288.435	3.232	40	70		CGIBRO
CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C)c(C)c1	ZINC000216924769	376170664	/nfs/dbraw/zinc/17/06/64/376170664.db2.gz	PWWWAEFFTSLFCS-QGZVFWFLSA-N	1	0	288.435	3.213	40	70		CGIBRO
CCc1cccc(CC)c1NC(=O)CC1CC[NH+](C)CC1	ZINC000216894910	189706698	/nfs/dbraw/zinc/70/66/98/189706698.db2.gz	OSEPRQZOSDXPNH-UHFFFAOYSA-N	1	0	288.435	3.482	40	70		CGIBRO
CC[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(C)cc1C	ZINC000216919191	376170555	/nfs/dbraw/zinc/17/05/55/376170555.db2.gz	QNANCMKDVHBVLZ-DOTOQJQBSA-N	1	0	288.435	3.213	40	70		CGIBRO
CC[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(C)cc1C	ZINC000216919167	376170585	/nfs/dbraw/zinc/17/05/85/376170585.db2.gz	QNANCMKDVHBVLZ-WBVHZDCISA-N	1	0	288.435	3.213	40	70		CGIBRO
Cc1ccc(C)c([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1	ZINC000216898540	189706750	/nfs/dbraw/zinc/70/67/50/189706750.db2.gz	DQAFXUUZTUNDTD-OAHLLOKOSA-N	1	0	288.435	3.213	40	70		CGIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1	ZINC000216905703	376168269	/nfs/dbraw/zinc/16/82/69/376168269.db2.gz	FJEZKJIPJHBBOQ-HNNXBMFYSA-N	1	0	268.360	3.120	40	70		CGIBRO