smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC(=O)Nc1ccccc1C(C)=O	ZINC000161179403	384474034	/nfs/dbraw/zinc/47/40/34/384474034.db2.gz	WQYZHSBCHDNNIU-UHFFFAOYSA-N	0	0	247.338	3.798	40	70		BHIBRN
Cc1ccc(-c2c[nH]c(-c3ccco3)n2)cc1	ZINC000216626396	178328789	/nfs/dbraw/zinc/32/87/89/178328789.db2.gz	UERVYJSPUNINHJ-UHFFFAOYSA-N	0	0	224.263	3.645	40	70		BHIBRN
c1csc(-c2ccn(Cc3ccccc3)n2)c1	ZINC000216691294	398093177	/nfs/dbraw/zinc/09/31/77/398093177.db2.gz	HDRRAXJDMHBWTR-UHFFFAOYSA-N	0	0	240.331	3.660	40	70		BHIBRN
Cc1ccccc1-c1cc(-c2ccco2)n[nH]1	ZINC000216695462	179235250	/nfs/dbraw/zinc/23/52/50/179235250.db2.gz	OGJKUNQPPCNDRP-UHFFFAOYSA-N	0	0	224.263	3.645	40	70		BHIBRN
Cc1cccc(-c2cc(-c3ccco3)n[nH]2)c1	ZINC000216695525	398093285	/nfs/dbraw/zinc/09/32/85/398093285.db2.gz	ZAJWGOZXCNLLSU-UHFFFAOYSA-N	0	0	224.263	3.645	40	70		BHIBRN
Cc1ccc(-c2cc(-c3ccco3)n[nH]2)cc1	ZINC000216695589	178317901	/nfs/dbraw/zinc/31/79/01/178317901.db2.gz	FZACZCYFYIBKLY-UHFFFAOYSA-N	0	0	224.263	3.645	40	70		BHIBRN
Cc1ccc(-c2cc(-c3ccco3)on2)cc1	ZINC000216697681	178318019	/nfs/dbraw/zinc/31/80/19/178318019.db2.gz	YGLGWGRQXZMELM-UHFFFAOYSA-N	0	0	225.247	3.910	40	70		BHIBRN
COc1ccccc1-c1cc(-c2ccco2)on1	ZINC000216697881	175308657	/nfs/dbraw/zinc/30/86/57/175308657.db2.gz	PPOUOABGJWGDIE-UHFFFAOYSA-N	0	0	241.246	3.610	40	70		BHIBRN
Cc1ccccc1-n1ccc([C@@H]2OCCS2)c1	ZINC000216701572	179242409	/nfs/dbraw/zinc/24/24/09/179242409.db2.gz	HQLCBVHDKCBGSN-CQSZACIVSA-N	0	0	245.347	3.548	40	70		BHIBRN
Cc1ccccc1-n1ccc([C@H]2OCCS2)c1	ZINC000216701616	179242025	/nfs/dbraw/zinc/24/20/25/179242025.db2.gz	HQLCBVHDKCBGSN-AWEZNQCLSA-N	0	0	245.347	3.548	40	70		BHIBRN
Cc1cccc(-n2ccc([C@@H]3OCCS3)c2)c1	ZINC000216701684	179001175	/nfs/dbraw/zinc/00/11/75/179001175.db2.gz	CDWJKLRFBWELNI-CQSZACIVSA-N	0	0	245.347	3.548	40	70		BHIBRN
Cc1cccc(-n2ccc([C@H]3OCCS3)c2)c1	ZINC000216701732	179001054	/nfs/dbraw/zinc/00/10/54/179001054.db2.gz	CDWJKLRFBWELNI-AWEZNQCLSA-N	0	0	245.347	3.548	40	70		BHIBRN
Cc1ccc(-n2ccc([C@@H]3OCCS3)c2)cc1	ZINC000216701792	178347634	/nfs/dbraw/zinc/34/76/34/178347634.db2.gz	FBEDVKOBXGPMQM-CQSZACIVSA-N	0	0	245.347	3.548	40	70		BHIBRN
Cc1ccc(-n2ccc([C@H]3OCCS3)c2)cc1	ZINC000216701839	178347484	/nfs/dbraw/zinc/34/74/84/178347484.db2.gz	FBEDVKOBXGPMQM-AWEZNQCLSA-N	0	0	245.347	3.548	40	70		BHIBRN
CCCc1nc2ccc(-n3cccc3)cc2o1	ZINC000216742388	386794221	/nfs/dbraw/zinc/79/42/21/386794221.db2.gz	XHYFEUXHARCPPE-UHFFFAOYSA-N	0	0	226.279	3.571	40	70		BHIBRN
CC(C)c1nc2ccc(-n3cccc3)cc2o1	ZINC000216742456	386795008	/nfs/dbraw/zinc/79/50/08/386795008.db2.gz	KLDDBWVXMGCCTH-UHFFFAOYSA-N	0	0	226.279	3.742	40	70		BHIBRN
CC(C)(C)c1nc2ccc(-n3cccc3)cc2o1	ZINC000216742522	386793955	/nfs/dbraw/zinc/79/39/55/386793955.db2.gz	UKFGWNNGWHINCA-UHFFFAOYSA-N	0	0	240.306	3.916	40	70		BHIBRN
Cc1ccc(-c2cc(-c3cccnc3)on2)cc1	ZINC000216781505	178318203	/nfs/dbraw/zinc/31/82/03/178318203.db2.gz	FMOPHBCBQXNYTG-UHFFFAOYSA-N	0	0	236.274	3.712	40	70		BHIBRN
CC(C)CCCC(C)(C)Br	ZINC000216817857	387000096	/nfs/dbraw/zinc/00/00/96/387000096.db2.gz	JHLRNINQTCYETH-UHFFFAOYSA-N	0	0	207.155	3.986	40	70		BHIBRN
CCCN(CCC)c1ccc2nc(N)sc2c1	ZINC000216849402	169154179	/nfs/dbraw/zinc/15/41/79/169154179.db2.gz	BEBZAOHRYFMEAQ-UHFFFAOYSA-N	0	0	249.383	3.505	40	70		BHIBRN
CC(C)(C)OC(=O)c1ccc(C(F)F)cc1	ZINC000217073318	384932139	/nfs/dbraw/zinc/93/21/39/384932139.db2.gz	IEOVMWQTOBXOIJ-UHFFFAOYSA-N	0	0	228.238	3.580	40	70		BHIBRN
C[C@@H]1CCNc2cc(C(F)(F)F)ccc21	ZINC000217606431	176187472	/nfs/dbraw/zinc/18/74/72/176187472.db2.gz	CKPIEZAXWHCQJC-SSDOTTSWSA-N	0	0	215.218	3.625	40	70		BHIBRN
C[C@H]1CCNc2cc(C(F)(F)F)ccc21	ZINC000217606516	177176539	/nfs/dbraw/zinc/17/65/39/177176539.db2.gz	CKPIEZAXWHCQJC-ZETCQYMHSA-N	0	0	215.218	3.625	40	70		BHIBRN
C[C@@H]1CCNc2ccc(C(F)(F)F)cc21	ZINC000217606619	176187141	/nfs/dbraw/zinc/18/71/41/176187141.db2.gz	IFAGQZUSLUPKFG-SSDOTTSWSA-N	0	0	215.218	3.625	40	70		BHIBRN
C[C@H]1CCNc2ccc(C(F)(F)F)cc21	ZINC000217606691	177176663	/nfs/dbraw/zinc/17/66/63/177176663.db2.gz	IFAGQZUSLUPKFG-ZETCQYMHSA-N	0	0	215.218	3.625	40	70		BHIBRN
CCCNc1ncnc(Cl)c1-c1ccccc1	ZINC000217687837	169296513	/nfs/dbraw/zinc/29/65/13/169296513.db2.gz	AQMLNJRYQGOWHW-UHFFFAOYSA-N	0	0	247.729	3.619	40	70		BHIBRN
CC(C)Nc1ncnc(Cl)c1-c1ccccc1	ZINC000217694711	167151831	/nfs/dbraw/zinc/15/18/31/167151831.db2.gz	PXKTXUXPFVXNPD-UHFFFAOYSA-N	0	0	247.729	3.617	40	70		BHIBRN
C[C@H]1CC[C@@](C)(Br)C1(C)C	ZINC000217715183	177195556	/nfs/dbraw/zinc/19/55/56/177195556.db2.gz	ZXJQISQGZAHQIG-IONNQARKSA-N	0	0	205.139	3.596	40	70		BHIBRN