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]1CCCN1c1ccnc2c(F)cc(F)cc12	ZINC000159767151	345525723	/nfs/dbraw/zinc/52/57/23/345525723.db2.gz	BVMYUHBVCUBYJB-SECBINFHSA-N	0	0	248.276	3.502	10	70		BHIERN
C[C@H]1CCCN1c1ccnc2c(F)cc(F)cc12	ZINC000159767229	345526690	/nfs/dbraw/zinc/52/66/90/345526690.db2.gz	BVMYUHBVCUBYJB-VIFPVBQESA-N	0	0	248.276	3.502	10	70		BHIERN
CCCc1ccc(C(=O)CCSC)cc1	ZINC000159773814	350998504	/nfs/dbraw/zinc/99/85/04/350998504.db2.gz	DPZOTTYPRZSTLP-UHFFFAOYSA-N	0	0	222.353	3.575	10	70		BHIERN
COc1cc(C)c(C(=O)C(C)(C)C)cc1C	ZINC000159782588	351001879	/nfs/dbraw/zinc/00/18/79/351001879.db2.gz	ZFEXKZCFWYEQJD-UHFFFAOYSA-N	0	0	220.312	3.541	10	70		BHIERN
Fc1cc(F)c2nccc(NC3CC=CC3)c2c1	ZINC000159967729	345759308	/nfs/dbraw/zinc/75/93/08/345759308.db2.gz	KWHIYFOOCDFHHD-UHFFFAOYSA-N	0	0	246.260	3.644	10	70		BHIERN
Cc1cc(N[C@@H](C)C2CCC2)nc(C(C)C)n1	ZINC000159979679	345768302	/nfs/dbraw/zinc/76/83/02/345768302.db2.gz	QSERYCZXBQSKBK-NSHDSACASA-N	0	0	233.359	3.509	10	70		BHIERN
Cc1cc(N[C@H](C)C2CCC2)nc(C(C)C)n1	ZINC000159979833	134797004	/nfs/dbraw/zinc/79/70/04/134797004.db2.gz	QSERYCZXBQSKBK-LLVKDONJSA-N	0	0	233.359	3.509	10	70		BHIERN
CC[C@H]1CC[C@H](Nc2ccc(F)c(OC)c2)C1	ZINC000160065514	201700050	/nfs/dbraw/zinc/70/00/50/201700050.db2.gz	ZUQXLCLDCLMWPT-QWRGUYRKSA-N	0	0	237.318	3.825	10	70		BHIERN
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C)C2)o1	ZINC000160461642	348504228	/nfs/dbraw/zinc/50/42/28/348504228.db2.gz	VTFUBAPNYTWTLR-WCFLWFBJSA-N	0	0	249.354	3.592	10	70		BHIERN
Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C)C2)o1	ZINC000160461902	133505421	/nfs/dbraw/zinc/50/54/21/133505421.db2.gz	VTFUBAPNYTWTLR-DRZSPHRISA-N	0	0	249.354	3.592	10	70		BHIERN
CSCCC(=O)c1cc(C)c(C)cc1C	ZINC000160524791	357035185	/nfs/dbraw/zinc/03/51/85/357035185.db2.gz	WGTMFHPAYIAPIP-UHFFFAOYSA-N	0	0	222.353	3.548	10	70		BHIERN
CCCCCCCCCCCC[SiH3]	ZINC000201284191	528125440	/nfs/dbraw/zinc/12/54/40/528125440.db2.gz	BBXVGZSHLMEVIP-UHFFFAOYSA-N	0	0	200.442	3.691	10	70		BHIERN
C[SiH](C)C[Si](C)(C)C[Si](C)(C)C	ZINC000201601413	343388866	/nfs/dbraw/zinc/38/88/66/343388866.db2.gz	YWRMIAXFHCGPPL-UHFFFAOYSA-N	0	0	218.565	3.598	10	70		BHIERN
CP1Oc2cccc3cccc(c32)O1	ZINC000217019403	175418354	/nfs/dbraw/zinc/41/83/54/175418354.db2.gz	XBLCHXHREAFXTF-UHFFFAOYSA-N	0	0	204.165	3.553	10	70		BHIERN
COc1ccc2c(c1)[nH]c1c2CCc2ccccc2-1	ZINC000217093210	350038548	/nfs/dbraw/zinc/03/85/48/350038548.db2.gz	WZOCYSASPMVGLM-UHFFFAOYSA-N	0	0	249.313	3.942	10	70		BHIERN
C=Cc1ccc(C(=O)CC(C)(C)C)cc1	ZINC000217469136	371960945	/nfs/dbraw/zinc/96/09/45/371960945.db2.gz	FAORMYNHWCZZPY-UHFFFAOYSA-N	0	0	202.297	3.949	10	70		BHIERN
CC(C)(C)OC(=O)Nc1cccc(NC2CC2)c1	ZINC000218036855	372050259	/nfs/dbraw/zinc/05/02/59/372050259.db2.gz	KNNXZIPGTDBWOJ-UHFFFAOYSA-N	0	0	248.326	3.608	10	70		BHIERN
COC(=O)c1c2ccccc2ccc1C1CC1	ZINC000218204047	351407703	/nfs/dbraw/zinc/40/77/03/351407703.db2.gz	IBQXQHJVNPDEKZ-UHFFFAOYSA-N	0	0	226.275	3.504	10	70		BHIERN
CCCCCc1nc(-c2ccc(F)c(C)c2)n[nH]1	ZINC000218232292	344224738	/nfs/dbraw/zinc/22/47/38/344224738.db2.gz	HYQSILWUDYSPLN-UHFFFAOYSA-N	0	0	247.317	3.652	10	70		BHIERN
Cc1cc(-c2n[nH]c(CCC(C)C)n2)ccc1F	ZINC000218360536	345850590	/nfs/dbraw/zinc/85/05/90/345850590.db2.gz	NBNLPFNRJMSUNB-UHFFFAOYSA-N	0	0	247.317	3.508	10	70		BHIERN
Cc1ncncc1-c1cccc2ccsc21	ZINC000218501426	352601971	/nfs/dbraw/zinc/60/19/71/352601971.db2.gz	OHMVUWPRQMSRLY-UHFFFAOYSA-N	0	0	226.304	3.667	10	70		BHIERN
Cc1cc(OC(F)(F)F)cc(C(F)(F)F)c1	ZINC000218780881	344243579	/nfs/dbraw/zinc/24/35/79/344243579.db2.gz	PXXNHOIWLDRUOS-UHFFFAOYSA-N	0	0	244.134	3.912	10	70		BHIERN