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](C(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	ZINC000043587479	563120954	/nfs/dbraw/zinc/12/09/54/563120954.db2.gz	SNXBOCCELSHYNL-SSDOTTSWSA-N	0	0	448.366	4.133	1	70		IIIFRN
COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21	ZINC000049771234	563139348	/nfs/dbraw/zinc/13/93/48/563139348.db2.gz	HEIXVPWXEKAWEG-SSTWWWIQSA-N	0	0	434.476	4.141	1	70		IIIFRN
COc1ccc(-n2cnc3cc(OC)cc(OS(=O)(=O)C(F)(F)F)c3c2=S)cc1	ZINC000014972385	563016645	/nfs/dbraw/zinc/01/66/45/563016645.db2.gz	FOXPGTILWFSLNN-UHFFFAOYSA-N	0	0	446.428	4.001	1	70		IIIFRN
CCOC(=O)[C@H](CCCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1	ZINC000071329733	563162331	/nfs/dbraw/zinc/16/23/31/563162331.db2.gz	WSHFELKLJPLBJG-QGZVFWFLSA-N	0	0	445.459	4.167	1	70		IIIFRN
CCOC(=O)C(C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000096929994	563198623	/nfs/dbraw/zinc/19/86/23/563198623.db2.gz	LQDKOEDWRVWZBJ-UHFFFAOYSA-N	0	0	442.451	4.192	1	70		IIIFRN
CCOC(=O)C(C(=O)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000096929990	563198647	/nfs/dbraw/zinc/19/86/47/563198647.db2.gz	PSHATOHCYFHHIK-UHFFFAOYSA-N	0	0	432.500	4.331	1	70		IIIFRN
CCOC(=O)[C@@H](CCCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1	ZINC000071329732	563162320	/nfs/dbraw/zinc/16/23/20/563162320.db2.gz	WSHFELKLJPLBJG-KRWDZBQOSA-N	0	0	445.459	4.167	1	70		IIIFRN