smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCC[NH2+]Cc1ccccc1[O-]	ZINC000001851835	528126541	/nfs/dbraw/zinc/12/65/41/528126541.db2.gz	JGXUWMTXFIOODY-UHFFFAOYSA-N	0	3	263.425	4.623	10	30		CJEEHN
CCCN=C1Nc2ccccc2CC[C@@H]1c1ccccc1	ZINC000003628455	169904423	/nfs/dbraw/zinc/90/44/23/169904423.db2.gz	UWNPWZAPUCIRMH-QGZVFWFLSA-N	0	3	278.399	4.637	10	30		CJEEHN
C=C[C@]1(C)CC[C@@]2(C)C3=CC(=O)OC3C(C)(C)CC[C@@H]2C1	ZINC000015216287	570379073	/nfs/dbraw/zinc/37/90/73/570379073.db2.gz	HJTIEBXNTWYKEY-ZFKCKOODSA-N	0	3	288.431	4.657	10	30		CJEEHN
N#CC(C(=O)C1CCCCC1)c1ccc(Cl)cc1Cl	ZINC000037346229	173143140	/nfs/dbraw/zinc/14/31/40/173143140.db2.gz	OZVGQIQFHTWWPW-CYBMUJFWSA-N	0	3	296.197	4.750	10	30		CJEEHN
N#CC(C(=O)C1CCCCC1)c1ccc(Cl)cc1Cl	ZINC000037346231	173143091	/nfs/dbraw/zinc/14/30/91/173143091.db2.gz	OZVGQIQFHTWWPW-ZDUSSCGKSA-N	0	3	296.197	4.750	10	30		CJEEHN
CCN(CC)CC#CCC(c1ccccc1)c1ccccc1	ZINC000038483193	174142586	/nfs/dbraw/zinc/14/25/86/174142586.db2.gz	ZFAMAUAHFLXNKF-UHFFFAOYSA-N	0	3	291.438	4.554	10	30		CJEEHN
N#CC(C(=O)c1ccc(Cl)cc1Cl)c1cccs1	ZINC000052902410	526493647	/nfs/dbraw/zinc/49/36/47/526493647.db2.gz	YICVSDLHLSQWMH-SNVBAGLBSA-N	0	3	296.178	4.545	10	30		CJEEHN
N#CC(C(=O)c1ccc(Cl)cc1Cl)c1cccs1	ZINC000052902412	526507376	/nfs/dbraw/zinc/50/73/76/526507376.db2.gz	YICVSDLHLSQWMH-JTQLQIEISA-N	0	3	296.178	4.545	10	30		CJEEHN
N#CC(C(=O)c1cc(Cl)cc(Cl)c1)c1cccs1	ZINC000052902452	526492926	/nfs/dbraw/zinc/49/29/26/526492926.db2.gz	SKDUJYHQAICYLE-LLVKDONJSA-N	0	3	296.178	4.545	10	30		CJEEHN
N#CC(C(=O)c1cc(Cl)cc(Cl)c1)c1cccs1	ZINC000052902454	526506996	/nfs/dbraw/zinc/50/69/96/526506996.db2.gz	SKDUJYHQAICYLE-NSHDSACASA-N	0	3	296.178	4.545	10	30		CJEEHN
N#CC(C(=O)c1cccc(Cl)c1Cl)c1cccs1	ZINC000052902747	526508572	/nfs/dbraw/zinc/50/85/72/526508572.db2.gz	JWZSMXBUXFFJEM-VIFPVBQESA-N	0	3	296.178	4.545	10	30		CJEEHN
N#CC(C(=O)c1cccc(Cl)c1Cl)c1cccs1	ZINC000052902750	526493143	/nfs/dbraw/zinc/49/31/43/526493143.db2.gz	JWZSMXBUXFFJEM-SECBINFHSA-N	0	3	296.178	4.545	10	30		CJEEHN
Cc1ccc(/N=C/N(C)c2ccc(C)cc2C)c(C)c1	ZINC000065734904	570393193	/nfs/dbraw/zinc/39/31/93/570393193.db2.gz	NXSHBRTWVPUISN-XDHOZWIPSA-N	0	3	266.388	4.716	10	30	in-vitro	CJEEHN
CC(C)c1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1	ZINC000093492074	265181060	/nfs/dbraw/zinc/18/10/60/265181060.db2.gz	QWVJABCZBDZCLT-CYBMUJFWSA-N	0	3	284.428	4.594	10	30		CJEEHN
CC(C)c1ccc([C@H](C)NCc2cc(C#N)cs2)cc1	ZINC000093492075	265182269	/nfs/dbraw/zinc/18/22/69/265182269.db2.gz	QWVJABCZBDZCLT-ZDUSSCGKSA-N	0	3	284.428	4.594	10	30		CJEEHN
CC(C)Cc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1	ZINC000093492126	265181764	/nfs/dbraw/zinc/18/17/64/265181764.db2.gz	UPWOJKAEOKODNN-CQSZACIVSA-N	0	3	298.455	4.669	10	30		CJEEHN
CC(C)Cc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1	ZINC000093492127	265181317	/nfs/dbraw/zinc/18/13/17/265181317.db2.gz	UPWOJKAEOKODNN-AWEZNQCLSA-N	0	3	298.455	4.669	10	30		CJEEHN
C[C@H](NCc1cc(C#N)cs1)c1ccc(C(C)(C)C)cc1	ZINC000093492398	265182906	/nfs/dbraw/zinc/18/29/06/265182906.db2.gz	BOGYOEGALXMGKL-ZDUSSCGKSA-N	0	3	298.455	4.768	10	30		CJEEHN
C[C@@H](NCc1cc(C#N)cs1)c1ccc(C(C)(C)C)cc1	ZINC000093492399	265183377	/nfs/dbraw/zinc/18/33/77/265183377.db2.gz	BOGYOEGALXMGKL-CYBMUJFWSA-N	0	3	298.455	4.768	10	30		CJEEHN
CC(C)c1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1	ZINC000177504997	261358362	/nfs/dbraw/zinc/35/83/62/261358362.db2.gz	XIAYYWHNIINUIA-CQSZACIVSA-N	0	3	296.389	4.672	10	30		CJEEHN
CC(C)c1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1	ZINC000177505017	261358544	/nfs/dbraw/zinc/35/85/44/261358544.db2.gz	XIAYYWHNIINUIA-AWEZNQCLSA-N	0	3	296.389	4.672	10	30		CJEEHN