smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cccn1-c1ccccc1	ZINC000001173191	132238223	/nfs/dbraw/zinc/23/82/23/132238223.db2.gz	RKORBQYROVHBEA-VBKFSLOCSA-N	0	2	426.259	5.291	10	0		IKAELN
CCc1oc2ccccc2c1[C@@H](O)c1cc(Br)c(O)c(Br)c1	ZINC000013586697	562995464	/nfs/dbraw/zinc/99/54/64/562995464.db2.gz	XJYGBWCERLPZTG-INIZCTEOSA-N	0	2	426.104	5.308	10	0		IKAELN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000263616241	569282267	/nfs/dbraw/zinc/28/22/67/569282267.db2.gz	HSZZZVBVEHMHKY-DPKALAFNSA-N	0	2	430.673	8.091	10	0		IKAELN
COc1ccc(-c2c(O)c3c(OC)c4c(c(CC=C(C)C)c3oc2=O)OC(C)(C)C=C4)cc1	ZINC000001531864	560181495	/nfs/dbraw/zinc/18/14/95/560181495.db2.gz	CCYKXDPVYWRNMH-UHFFFAOYSA-N	0	2	448.515	5.876	10	0	in-vitro	IKAELN
COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c(O)c1CC=C(C)C	ZINC000014727556	568905211	/nfs/dbraw/zinc/90/52/11/568905211.db2.gz	AAXZLRPBJQFZQA-UHFFFAOYSA-N	0	2	436.504	5.603	10	0		IKAELN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000263616242	569282282	/nfs/dbraw/zinc/28/22/82/569282282.db2.gz	HSZZZVBVEHMHKY-HWAHVBGDSA-N	0	2	430.673	8.091	10	0		IKAELN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000263616243	569282336	/nfs/dbraw/zinc/28/23/36/569282336.db2.gz	HSZZZVBVEHMHKY-QFQZGRCLSA-N	0	2	430.673	8.091	10	0		IKAELN
CCc1oc2ccccc2c1[C@H](O)c1cc(Br)c(O)c(Br)c1	ZINC000013586698	562995481	/nfs/dbraw/zinc/99/54/81/562995481.db2.gz	XJYGBWCERLPZTG-MRXNPFEDSA-N	0	2	426.104	5.308	10	0		IKAELN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000263616244	569282286	/nfs/dbraw/zinc/28/22/86/569282286.db2.gz	HSZZZVBVEHMHKY-YSWJNTRLSA-N	0	2	430.673	8.091	10	0		IKAELN
COc1cc(O)ccc1-c1coc2c(CC=C(C)C)c3c(c(O)c2c1=O)C=CC(C)(C)O3	ZINC000049181579	560084103	/nfs/dbraw/zinc/08/41/03/560084103.db2.gz	PTYKSEHNIOQJNZ-UHFFFAOYSA-N	0	2	434.488	5.573	10	0	biogenic,in-vitro	IKAELN