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)Oc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217761135	569881475	/nfs/dbraw/zinc/88/14/75/569881475.db2.gz	MSDRTRNIKFWFIC-SFHVURJKSA-N	0	1	458.466	5.099	50	70	biogenic	JKIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccc(OC(C)C)c2)CC(=O)O4)cc1O	ZINC000217927436	569882138	/nfs/dbraw/zinc/88/21/38/569882138.db2.gz	POPQUQABUXFEBG-SFHVURJKSA-N	0	1	488.492	5.108	50	70	biogenic	JKIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccccc1OCCc1ccccc1	ZINC000217834914	569881820	/nfs/dbraw/zinc/88/18/20/569881820.db2.gz	RJUUFZDIJDCCIB-FQEVSTJZSA-N	0	1	484.504	5.072	50	70	biogenic	JKIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000218120404	569882864	/nfs/dbraw/zinc/88/28/64/569882864.db2.gz	GGGGPPZTRVLKJU-INIZCTEOSA-N	0	1	492.568	5.751	50	70	biogenic	JKIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000218120496	569882868	/nfs/dbraw/zinc/88/28/68/569882868.db2.gz	GGGGPPZTRVLKJU-MRXNPFEDSA-N	0	1	492.568	5.751	50	70	biogenic	JKIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccc(C(C)C)cc2)CC(=O)O4)cc1O	ZINC000217627662	569880718	/nfs/dbraw/zinc/88/07/18/569880718.db2.gz	OAFHQYAQXRKAHM-SFHVURJKSA-N	0	1	472.493	5.444	50	70	biogenic	JKIAMN
CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c21	ZINC000217761220	569881459	/nfs/dbraw/zinc/88/14/59/569881459.db2.gz	MSDRTRNIKFWFIC-GOSISDBHSA-N	0	1	458.466	5.099	50	70	biogenic	JKIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(OC(C)C)c2)CC(=O)O4)cc1O	ZINC000217927364	569882100	/nfs/dbraw/zinc/88/21/00/569882100.db2.gz	POPQUQABUXFEBG-GOSISDBHSA-N	0	1	488.492	5.108	50	70	biogenic	JKIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccccc2OC(C)C)CC(=O)O4)cc1O	ZINC000217740830	569881363	/nfs/dbraw/zinc/88/13/63/569881363.db2.gz	SIGNMSSLSBPXKD-QGZVFWFLSA-N	0	1	488.492	5.108	50	70	biogenic	JKIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccccc1OCCc1ccccc1	ZINC000217834977	569881839	/nfs/dbraw/zinc/88/18/39/569881839.db2.gz	RJUUFZDIJDCCIB-HXUWFJFHSA-N	0	1	484.504	5.072	50	70	biogenic	JKIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(C(C)C)cc2)CC(=O)O4)cc1O	ZINC000217627583	569880721	/nfs/dbraw/zinc/88/07/21/569880721.db2.gz	OAFHQYAQXRKAHM-GOSISDBHSA-N	0	1	472.493	5.444	50	70	biogenic	JKIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccccc2OC(C)C)CC(=O)O4)cc1O	ZINC000217740920	569881313	/nfs/dbraw/zinc/88/13/13/569881313.db2.gz	SIGNMSSLSBPXKD-KRWDZBQOSA-N	0	1	488.492	5.108	50	70	biogenic	JKIAMN