smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Sc1ccc2ccccc2c1	1680382	574411422	/nfs/dbraw/zinc/41/14/22/574411422.db2.gz	RFCQDOVPMUSZMN-UHFFFAOYSA-N	0	2	160.241	3.129	50	0	endogenous,in-man	AGAALN
Sc1cccc2c(S)cccc12	1555370	342947007	/nfs/dbraw/zinc/94/70/07/342947007.db2.gz	AAPAGLBSROJFGM-UHFFFAOYSA-N	0	2	192.308	3.417	50	0	in-vitro	AGAALN
CCCC(=O)c1ccc(O)c(Cl)c1	41209589	166836028	/nfs/dbraw/zinc/83/60/28/166836028.db2.gz	WCEAOVHOUWMGEC-UHFFFAOYSA-N	0	2	198.649	3.028	50	0		AGAALN
CSC(=S)Nc1ccc(C)cc1	285022	168297507	/nfs/dbraw/zinc/29/75/07/168297507.db2.gz	REZSHMNTHXMXJM-UHFFFAOYSA-N	0	2	197.328	3.055	50	0		AGAALN
CSC(=S)Nc1cccc(C)c1	36644053	168297610	/nfs/dbraw/zinc/29/76/10/168297610.db2.gz	ICBYDGHXROQKEW-UHFFFAOYSA-N	0	2	197.328	3.055	50	0		AGAALN
Sc1cccc2ccccc12	1846581	171003102	/nfs/dbraw/zinc/00/31/02/171003102.db2.gz	SEXOVMIIVBKGGM-UHFFFAOYSA-N	0	2	160.241	3.129	50	0	in-vitro	AGAALN
Oc1c(Cl)ccc(Cl)c1Cl	388308	342935600	/nfs/dbraw/zinc/93/56/00/342935600.db2.gz	XGCHAIDDPMFRLJ-UHFFFAOYSA-N	0	2	197.448	3.352	50	0	in-vitro	AGAALN
Oc1c(Cl)cc(Cl)cc1Cl	391974	342936821	/nfs/dbraw/zinc/93/68/21/342936821.db2.gz	LINPIYWFGCPVIE-UHFFFAOYSA-N	0	2	197.448	3.352	50	0	in-vitro	AGAALN
Sc1ccc2cccc3c2c1CC3	1019538	342942843	/nfs/dbraw/zinc/94/28/43/342942843.db2.gz	GGYYAEBAHPWFNO-UHFFFAOYSA-N	0	2	186.279	3.227	50	0		AGAALN
Cc1cc(Cl)c(C)cc1S	2584569	342979274	/nfs/dbraw/zinc/97/92/74/342979274.db2.gz	OJYSHGUXHULIBN-UHFFFAOYSA-N	0	2	172.680	3.246	50	0		AGAALN
Cc1ccc(Cl)c(O)c1Cl	5781226	343008399	/nfs/dbraw/zinc/00/83/99/343008399.db2.gz	SXHLRMKATYCFRY-UHFFFAOYSA-N	0	2	177.030	3.007	50	0	in-vitro	AGAALN
Oc1cc(Cl)cc(Cl)c1Cl	405270	351279970	/nfs/dbraw/zinc/27/99/70/351279970.db2.gz	WWGQHTJIFOQAOC-UHFFFAOYSA-N	0	2	197.448	3.352	50	0	in-vitro	AGAALN
Sc1ccc2ccc(S)cc2c1	14628770	351374464	/nfs/dbraw/zinc/37/44/64/351374464.db2.gz	INUVVGTZMFIDJF-UHFFFAOYSA-N	0	2	192.308	3.417	50	0	in-vitro	AGAALN
Sc1ccc2cc(S)ccc2c1	14628772	351374706	/nfs/dbraw/zinc/37/47/06/351374706.db2.gz	XMHBJPKFTZSWRJ-UHFFFAOYSA-N	0	2	192.308	3.417	50	0	in-vitro	AGAALN
O=Nc1cc(Cl)c(O)cc1Cl	15085927	351378210	/nfs/dbraw/zinc/37/82/10/351378210.db2.gz	NABKZCKJPUHSDL-UHFFFAOYSA-N	0	2	192.001	3.097	50	0		AGAALN