smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NNC(=S)Nc1ccc(Br)cc1OC(F)F	ZINC000067800160	402173047	/nfs/dbraw/zinc/17/30/47/402173047.db2.gz	WXTGPBNKRBPYEN-UHFFFAOYSA-N	0	0	312.139	2.211	30	0		DEACRN
CCOC(=O)c1sc(=O)[nH]c1-c1ccc(OC)cc1OC	ZINC000004294193	181093557	/nfs/dbraw/zinc/09/35/57/181093557.db2.gz	XWIJQLQVMNSJND-UHFFFAOYSA-N	0	0	309.343	2.297	30	0		DEACRN
CC(C)(C)OC(=O)NCCNC(=O)c1cc(Cl)ccc1N	ZINC000067796651	402173156	/nfs/dbraw/zinc/17/31/56/402173156.db2.gz	SBOVMIYXXJTYBK-UHFFFAOYSA-N	0	0	313.785	2.177	30	0		DEACRN
CCOC(=O)C[C@H](OC[C@H]1COC(C)(C)O1)C(F)(F)F	ZINC000004299252	181094286	/nfs/dbraw/zinc/09/42/86/181094286.db2.gz	OFQXIZUSXLRNAP-IUCAKERBSA-N	0	0	300.273	2.039	30	0		DEACRN
NS(=O)(=O)c1cc(Br)ccc1C(F)(F)F	ZINC000096024817	295286728	/nfs/dbraw/zinc/28/67/28/295286728.db2.gz	HPECGMLRCCSHRY-UHFFFAOYSA-N	0	0	304.087	2.115	30	0		DEACRN
CCOC(=O)C[C@H](OC[C@@H]1COC(C)(C)O1)C(F)(F)F	ZINC000004299250	181094148	/nfs/dbraw/zinc/09/41/48/181094148.db2.gz	OFQXIZUSXLRNAP-BDAKNGLRSA-N	0	0	300.273	2.039	30	0		DEACRN
NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl	ZINC000036533163	401905433	/nfs/dbraw/zinc/90/54/33/401905433.db2.gz	VCLVVSRMMYJGQZ-UHFFFAOYSA-N	0	0	304.980	2.403	30	0		DEACRN
CCOC(=O)C[C@@H](OC[C@@H]1COC(C)(C)O1)C(F)(F)F	ZINC000004299251	181094620	/nfs/dbraw/zinc/09/46/20/181094620.db2.gz	OFQXIZUSXLRNAP-RKDXNWHRSA-N	0	0	300.273	2.039	30	0		DEACRN
CCOC(=O)C[C@@H](OC[C@H]1COC(C)(C)O1)C(F)(F)F	ZINC000004299253	181094673	/nfs/dbraw/zinc/09/46/73/181094673.db2.gz	OFQXIZUSXLRNAP-DTWKUNHWSA-N	0	0	300.273	2.039	30	0		DEACRN
COC(=O)C1CN(Cc2ccc(Br)c(F)c2)C1	ZINC000115737826	355771474	/nfs/dbraw/zinc/77/14/74/355771474.db2.gz	NORYIKADRHSDGG-UHFFFAOYSA-N	0	0	302.143	2.193	30	0		DEACRN
CN1c2ccc(Br)cc2S(=O)(=O)N=C1Cl	ZINC000015444388	283263576	/nfs/dbraw/zinc/26/35/76/283263576.db2.gz	FWBBRILJLULNOD-UHFFFAOYSA-N	0	0	309.572	2.182	30	0		DEACRN
CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)[nH]n2)CC1	ZINC000079387494	185167874	/nfs/dbraw/zinc/16/78/74/185167874.db2.gz	PQGFVCYQULISJE-UHFFFAOYSA-N	0	0	320.315	2.486	30	0		DEACRN
O=S(=O)(c1cccs1)c1nc(Br)ns1	ZINC000015444331	182002538	/nfs/dbraw/zinc/00/25/38/182002538.db2.gz	JREVGVDXRCWDDB-UHFFFAOYSA-N	0	0	311.207	2.195	30	0		DEACRN
COC(=O)[C@H](C)NC(=O)OCc1ccc(C(F)(F)F)cc1	ZINC001534067609	1087068517	/nfs/dbraw/zinc/06/85/17/1087068517.db2.gz	AFMUTCATSUZTPZ-QMMMGPOBSA-N	0	0	305.252	2.493	30	0		DEACRN
Nc1ncc(Cc2ccc(OC(F)(F)C(F)F)cc2)c(N)n1	ZINC000015444060	182002338	/nfs/dbraw/zinc/00/23/38/182002338.db2.gz	OMDJRDRPDTWJPE-UHFFFAOYSA-N	0	0	316.258	2.469	30	0		DEACRN