smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(-c2ccc([O-])c(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)n1	ZINC000015003310	211113474	/nfs/dbraw/zinc/11/34/74/211113474.db2.gz	OGFKPRIAAKEUQJ-UHFFFAOYSA-N	0	1	364.489	4.521	1	10		FJCFMN
CCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	ZINC000096273313	222107239	/nfs/dbraw/zinc/10/72/39/222107239.db2.gz	OAVBFNPMFUTTAH-UHFFFAOYSA-N	0	1	370.401	4.536	1	10		FJCFMN
COc1cccc2cc(C)c(-c3ccc4c(c3[O-])[C@@H](C)[NH2+][C@H](C)C4)c(O)c21	ZINC000015121588	291084984	/nfs/dbraw/zinc/08/49/84/291084984.db2.gz	BLXBQYFTXJFAFN-ZIAGYGMSSA-N	0	1	363.457	4.830	1	10	biogenic,in-vitro	FJCFMN
COc1cc(C)cc2ccc(-c3ccc4c(c3[O-])[C@@H](C)[NH2+][C@H](C)C4)c(O)c21	ZINC000005849399	291084681	/nfs/dbraw/zinc/08/46/81/291084681.db2.gz	UOMMAZXPQFOUSU-ZIAGYGMSSA-N	0	1	363.457	4.830	1	10	biogenic,in-vitro	FJCFMN
COc1cc(C)cc2ccc(-c3ccc4c(c3[O-])[C@H](C)[NH2+][C@H](C)C4)c(O)c21	ZINC000006484940	291084670	/nfs/dbraw/zinc/08/46/70/291084670.db2.gz	UOMMAZXPQFOUSU-KGLIPLIRSA-N	0	1	363.457	4.830	1	10	biogenic,in-vitro	FJCFMN
O=[N+](N=c1ncc(-c2ccccc2)c[n-]1)c1ncc(-c2ccccc2)cn1	ZINC000005922263	204230796	/nfs/dbraw/zinc/23/07/96/204230796.db2.gz	CPYUHZWAXRNZNN-OCEACIFDSA-N	0	1	354.373	4.526	1	10		FJCFMN
Oc1ccc(CCNc2nc3ccccc3c3[nH]c4ccccc4c32)cc1O	ZINC000045375200	205121799	/nfs/dbraw/zinc/12/17/99/205121799.db2.gz	WXKWOYVHNCHUOX-UHFFFAOYSA-N	0	1	369.424	4.935	1	10		FJCFMN
COc1cc(C)c(-c2ccc3c(c2[O-])[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000015121560	291084635	/nfs/dbraw/zinc/08/46/35/291084635.db2.gz	PBUONONRMDRRLQ-ZIAGYGMSSA-N	0	1	363.457	4.830	1	10	biogenic,in-vitro	FJCFMN
CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)cc(Cl)c1O	ZINC000095561660	209081002	/nfs/dbraw/zinc/08/10/02/209081002.db2.gz	WYRDVJBRKLNIFY-MRXNPFEDSA-N	0	1	367.207	4.536	1	10		FJCFMN
COc1cc2c(ccc(-c3ccc4c(c3[O-])[C@@H](C)[NH2+][C@H](C)C4)c2O)cc1C	ZINC000095485906	291084692	/nfs/dbraw/zinc/08/46/92/291084692.db2.gz	YUXLLXSPQDDOEE-ZIAGYGMSSA-N	0	1	363.457	4.830	1	10	biogenic,in-vitro	FJCFMN