smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cccc(-c2ccsc2)c1F	725270375	537933770	/nfs/dbraw/zinc/93/37/70/537933770.db2.gz	JLHZBIWRRSMICL-UHFFFAOYSA-N	-1	3	194.230	3.260	50	0		AGAAHM
Cc1cc(N=O)c2ccccc2c1[O-]	34142464	572476719	/nfs/dbraw/zinc/47/67/19/572476719.db2.gz	YZSCTNNFEVNWDC-UHFFFAOYSA-N	-1	3	187.198	3.252	50	0		AGAAHM
CC[C@@H](C)c1cc(C(C)=O)ccc1[O-]	88120904	573067763	/nfs/dbraw/zinc/06/77/63/573067763.db2.gz	KRZSZFDXHSBNGS-MRVPVSSYSA-N	-1	3	192.258	3.108	50	0		AGAAHM
CC[C@H](C)c1cc(C(C)=O)ccc1[O-]	88120905	573070350	/nfs/dbraw/zinc/07/03/50/573070350.db2.gz	KRZSZFDXHSBNGS-QMMMGPOBSA-N	-1	3	192.258	3.108	50	0		AGAAHM
CC(=O)c1cc(C)c([O-])cc1C(C)C	88120922	573071186	/nfs/dbraw/zinc/07/11/86/573071186.db2.gz	NDVCTWYFPKWUFW-UHFFFAOYSA-N	-1	3	192.258	3.027	50	0		AGAAHM
CCCC(=O)c1ccc(Cl)cc1[O-]	71773696	343557648	/nfs/dbraw/zinc/55/76/48/343557648.db2.gz	NJFFCTTYNCSFBK-UHFFFAOYSA-N	-1	3	198.649	3.028	50	0		AGAAHM
CC(=O)c1cc(C(C)C)c([O-])cc1C	2165952	166316874	/nfs/dbraw/zinc/31/68/74/166316874.db2.gz	QGKGQYPODBCZLD-UHFFFAOYSA-N	-1	3	192.258	3.027	50	0	in-vitro	AGAAHM
CC(C)(C)c1ccc([O-])c(Cl)c1	394749	166382852	/nfs/dbraw/zinc/38/28/52/166382852.db2.gz	PRLINSMUYJWPBL-UHFFFAOYSA-N	-1	3	184.666	3.343	50	0	in-vitro	AGAAHM
CC(C)(C)c1cccc([O-])c1Cl	95709914	166385602	/nfs/dbraw/zinc/38/56/02/166385602.db2.gz	DWOKJMQGRUJFJK-UHFFFAOYSA-N	-1	3	184.666	3.343	50	0		AGAAHM
Fc1ccc(-c2c[n-]c(=S)o2)cc1	12505090	169082278	/nfs/dbraw/zinc/08/22/78/169082278.db2.gz	DPACSQVMBJOBAK-UHFFFAOYSA-N	-1	3	195.218	3.143	50	0	in-vitro	AGAAHM
[O-]c1ccc(Cl)c(C(F)(F)F)c1	1718562	171001672	/nfs/dbraw/zinc/00/16/72/171001672.db2.gz	ZLFPIEUWXNRPNM-UHFFFAOYSA-N	-1	3	196.555	3.064	50	0	in-vitro	AGAAHM
[O-]c1ccc(C(F)(F)F)c(Cl)c1	34104114	171052988	/nfs/dbraw/zinc/05/29/88/171052988.db2.gz	KQFQPAJCFHNHKB-UHFFFAOYSA-N	-1	3	196.555	3.064	50	0	in-vitro	AGAAHM
CC(C)c1cccc(Cl)c1[O-]	39647382	171079687	/nfs/dbraw/zinc/07/96/87/171079687.db2.gz	OMVPLNVGFKQPDD-UHFFFAOYSA-N	-1	3	170.639	3.169	50	0		AGAAHM
S=c1[n-]c(Cl)cc2ccccc12	95099991	171136077	/nfs/dbraw/zinc/13/60/77/171136077.db2.gz	JZZOOWWCFYKCGE-UHFFFAOYSA-N	-1	3	195.674	3.177	50	0		AGAAHM
S=c1[n-]cc(-c2ccccc2)o1	36379471	351456621	/nfs/dbraw/zinc/45/66/21/351456621.db2.gz	OKGRCDVKEPEXFQ-UHFFFAOYSA-N	-1	3	177.228	3.004	50	0	in-vitro	AGAAHM
[O-]c1ccc(Cl)c2ccccc12	402822	229142304	/nfs/dbraw/zinc/14/23/04/229142304.db2.gz	LVSPDZAGCBEQAV-UHFFFAOYSA-N	-1	3	178.618	3.199	50	0	in-vitro	AGAAHM
Cc1cc(=S)[n-]c2ccccc12	126110	342927253	/nfs/dbraw/zinc/92/72/53/342927253.db2.gz	OJOPTXKXKPMMGC-UHFFFAOYSA-N	-1	3	175.256	3.206	50	0	in-vitro	AGAAHM
Cc1cc([O-])c(C(C)C)cc1N=O	5469772	343003406	/nfs/dbraw/zinc/00/34/06/343003406.db2.gz	YQVCMSSJMLGWAM-UHFFFAOYSA-N	-1	3	179.219	3.222	50	0	in-vitro	AGAAHM
Cc1cc(Cl)c(Cl)cc1[O-]	39259364	343208964	/nfs/dbraw/zinc/20/89/64/343208964.db2.gz	YPWZTDHXTALQBZ-UHFFFAOYSA-N	-1	3	177.030	3.007	50	0		AGAAHM
CCCC(=O)c1cc(Cl)ccc1[O-]	41209587	343232848	/nfs/dbraw/zinc/23/28/48/343232848.db2.gz	FRMGZNAZYJCRPV-UHFFFAOYSA-N	-1	3	198.649	3.028	50	0		AGAAHM
CCC(=O)c1ccc([O-])c(C(C)C)c1	71455731	343552742	/nfs/dbraw/zinc/55/27/42/343552742.db2.gz	VDZMZKQRWKSVQF-UHFFFAOYSA-N	-1	3	192.258	3.108	50	0		AGAAHM
CCc1cc(Cl)c(Cl)cc1[O-]	98095527	343704702	/nfs/dbraw/zinc/70/47/02/343704702.db2.gz	QPSSTGPNGAUKKV-UHFFFAOYSA-N	-1	3	191.057	3.261	50	0	in-vitro	AGAAHM
[O-]c1ccc(SC(F)(F)F)cc1	164905	351272415	/nfs/dbraw/zinc/27/24/15/351272415.db2.gz	YYCPTWHVKSATQK-UHFFFAOYSA-N	-1	3	194.177	3.004	50	0	in-vitro	AGAAHM
[O-]c1ccc(-c2ccccc2)c(F)c1	1405431	351285487	/nfs/dbraw/zinc/28/54/87/351285487.db2.gz	ZAYRUOZNLRMSTL-UHFFFAOYSA-N	-1	3	188.201	3.198	50	0	in-vitro	AGAAHM
[O-]c1ccccc1Oc1ccccc1	1841247	351300234	/nfs/dbraw/zinc/30/02/34/351300234.db2.gz	KDTZBYPBMTXCSO-UHFFFAOYSA-N	-1	3	186.210	3.185	50	0	in-vitro	AGAAHM
[O-]c1cc(Cl)cc(C(F)(F)F)c1	2527775	351309068	/nfs/dbraw/zinc/30/90/68/351309068.db2.gz	BPJWMOPEHPOKFT-UHFFFAOYSA-N	-1	3	196.555	3.064	50	0	in-vitro	AGAAHM
[O-]c1ccc(-c2ccccc2)cc1F	13840548	351372240	/nfs/dbraw/zinc/37/22/40/351372240.db2.gz	YTFYLPMGFTYAPF-UHFFFAOYSA-N	-1	3	188.201	3.198	50	0	in-vitro	AGAAHM
[O-]c1ccccc1SC(F)(F)F	34380916	351440035	/nfs/dbraw/zinc/44/00/35/351440035.db2.gz	QIVDFUUJJILMTQ-UHFFFAOYSA-N	-1	3	194.177	3.004	50	0	in-vitro	AGAAHM
S=c1[n-]c(-c2ccccc2)co1	36532697	351457526	/nfs/dbraw/zinc/45/75/26/351457526.db2.gz	ADWVAVYROMEPCK-UHFFFAOYSA-N	-1	3	177.228	3.004	50	0	in-vitro	AGAAHM
[O-]c1cc(F)cc(-c2ccccc2)c1	47207604	351544877	/nfs/dbraw/zinc/54/48/77/351544877.db2.gz	PFKTZDDAPYXWOZ-UHFFFAOYSA-N	-1	3	188.201	3.198	50	0	in-vitro	AGAAHM
[O-]c1cccc2oc3ccccc3c12	3897058	375287563	/nfs/dbraw/zinc/28/75/63/375287563.db2.gz	BIFIUYPXCGSSAG-UHFFFAOYSA-N	-1	3	184.194	3.292	50	0	in-vitro	AGAAHM