smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC2	ZINC000159373132	545947345	/nfs/dbraw/zinc/94/73/45/545947345.db2.gz	RUEZOWMOMADBSV-SECBINFHSA-N	-1	1	374.388	2.112	10	70		FEIEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Oc2cccnc2)C1	ZINC000161411551	546128643	/nfs/dbraw/zinc/12/86/43/546128643.db2.gz	WCBPVYUHUAVRTN-AWEZNQCLSA-N	-1	1	356.426	2.064	10	70		FEIEMM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC2	ZINC000159373269	326929253	/nfs/dbraw/zinc/92/92/53/326929253.db2.gz	RUEZOWMOMADBSV-VIFPVBQESA-N	-1	1	374.388	2.112	10	70		FEIEMM
CCc1cc2c(CN3CCOC[C@H]3c3nc(C)no3)cc(=O)oc2cc1[O-]	ZINC000160869964	546079841	/nfs/dbraw/zinc/07/98/41/546079841.db2.gz	AQKQUVFPRMMJLK-HNNXBMFYSA-N	-1	1	371.393	2.326	10	70		FEIEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Oc2cccnc2)C1	ZINC000161411679	326998655	/nfs/dbraw/zinc/99/86/55/326998655.db2.gz	WCBPVYUHUAVRTN-CQSZACIVSA-N	-1	1	356.426	2.064	10	70		FEIEMM
CCc1cc2c(CN3CCOC[C@@H]3c3nc(C)no3)cc(=O)oc2cc1[O-]	ZINC000160869864	546079791	/nfs/dbraw/zinc/07/97/91/546079791.db2.gz	AQKQUVFPRMMJLK-OAHLLOKOSA-N	-1	1	371.393	2.326	10	70		FEIEMM
CCOCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1C	ZINC000160883823	546081288	/nfs/dbraw/zinc/08/12/88/546081288.db2.gz	ONSGNQBFNPHXMN-GFCCVEGCSA-N	-1	1	371.275	2.338	10	70		FEIEMM
CCOCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C	ZINC000160883679	546081352	/nfs/dbraw/zinc/08/13/52/546081352.db2.gz	ONSGNQBFNPHXMN-LBPRGKRZSA-N	-1	1	371.275	2.338	10	70		FEIEMM