smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC(C)(C)c1c(O)cc(O)c2c1oc1cc(O)c(O)c(CC=C(C)C)c1c2=O	ZINC000013411975	209164614	/nfs/dbraw/zinc/16/46/14/209164614.db2.gz	FUEJTEBWTNXAPG-UHFFFAOYSA-N	0	2	396.439	4.741	10	30	in-vitro	GJEELN
C=CC(C)(C)c1c(=O)cc(O)c2c(O)c3c(cc(O)c(O)c3CC=C(C)C)oc1-2	ZINC000013411975	209164621	/nfs/dbraw/zinc/16/46/21/209164621.db2.gz	FUEJTEBWTNXAPG-UHFFFAOYSA-N	0	2	396.439	4.741	10	30	in-vitro	GJEELN
Cc1cc(C)c(CSc2nnc(NN=Cc3c[nH]c4ccccc34)[nH]2)c(C)c1	ZINC000006255203	570474240	/nfs/dbraw/zinc/47/42/40/570474240.db2.gz	JYASMZORRPUMHD-FOKLQQMPSA-N	0	2	390.516	4.950	10	30		GJEELN
Cc1cc(C)c(CSc2nnc(N[NH+]=Cc3c[nH]c4ccccc34)[n-]2)c(C)c1	ZINC000006255203	570474243	/nfs/dbraw/zinc/47/42/43/570474243.db2.gz	JYASMZORRPUMHD-FOKLQQMPSA-N	0	2	390.516	4.950	10	30		GJEELN
C=CC(C)(C)c1c(O)cc(O)c2c1oc1cc(O)c3c(c1c2=O)C=CC(C)(C)O3	ZINC000013412021	518681981	/nfs/dbraw/zinc/68/19/81/518681981.db2.gz	LGKVKWVNUSOTKD-UHFFFAOYSA-N	0	2	394.423	4.711	10	30	biogenic	GJEELN
C=CC(C)(C)c1c2oc3cc(O)c4c(c3c(O)c-2c(O)cc1=O)C=CC(C)(C)O4	ZINC000013412021	518681997	/nfs/dbraw/zinc/68/19/97/518681997.db2.gz	LGKVKWVNUSOTKD-UHFFFAOYSA-N	0	2	394.423	4.711	10	30	biogenic	GJEELN
O=C(C(=CNc1ccc(Cl)c(F)c1)C(=O)C(F)(F)F)c1cccs1	ZINC000100294028	527591617	/nfs/dbraw/zinc/59/16/17/527591617.db2.gz	LRTQTQODOMLIPR-VQHVLOKHSA-N	0	2	377.746	4.851	10	30		GJEELN
C=CC(C)(C)c1c(O)c2c(O)c3cc(O)c(O)c(CC=C(C)C)c3oc-2cc1=O	ZINC000013412042	206247413	/nfs/dbraw/zinc/24/74/13/206247413.db2.gz	LVKPSBFBKBJJOB-UHFFFAOYSA-N	0	2	396.439	4.741	10	30	biogenic,in-vivo	GJEELN
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)C1=NNc1ccccc1C	ZINC000012602079	520898419	/nfs/dbraw/zinc/89/84/19/520898419.db2.gz	XXHXOCKSILGZGE-LYBHJNIJSA-N	0	2	389.484	4.618	10	30		GJEELN