smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c2c1[C@@H](C(=O)[O-])[C@@H](c1ccc(O)c(O)c1)O2	ZINC000004097775	291770191	/nfs/dbraw/zinc/77/01/91/291770191.db2.gz	UJZQBMQZMKFSRV-INJYRCFNSA-N	-2	0	538.461	2.769	10	10	biogenic,in-vitro	KFCERL
Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c12	ZINC000096077630	562790365	/nfs/dbraw/zinc/79/03/65/562790365.db2.gz	OTKRGWXWWWNPKU-FUEWEDNTSA-N	-4	0	903.904	2.638	10	10	in-vitro	KFCERL
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CC=CC=C[C@H]1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100124023	554224728	/nfs/dbraw/zinc/22/47/28/554224728.db2.gz	ZYEKPKUEHLUSET-JPFZIWQRSA-N	-2	0	570.605	2.980	10	10		KFCERL
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CC=CC=C[C@@H]1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000100124028	554224742	/nfs/dbraw/zinc/22/47/42/554224742.db2.gz	ZYEKPKUEHLUSET-QNFWPJMESA-N	-2	0	570.605	2.980	10	10		KFCERL
CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c3)c(O)c2c1	ZINC000108466500	571425848	/nfs/dbraw/zinc/42/58/48/571425848.db2.gz	POHXOGRTDQNNFM-GHVJWSGMSA-N	-2	0	573.583	2.759	10	10		KFCERL