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-])c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(S(=O)(=O)Nc6ccc([N+](=O)[O-])c(C(=O)[O-])c6)cc5c4)cc3c2)ccc1[N+](=O)[O-]	ZINC000095540773	562755971	/nfs/dbraw/zinc/75/59/71/562755971.db2.gz	KGENZBUPAFWAPL-UHFFFAOYSA-N	-2	2	800.740	6.451	1	5		KKBFLL
COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000072106483	562721060	/nfs/dbraw/zinc/72/10/60/562721060.db2.gz	KXZCBJVJOVTJEH-VIZCGCQYSA-N	-3	2	681.499	5.276	1	5		KKBFLL
O=c1oc2c(c([O-])c1[C@H](c1cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2	ZINC000100764943	562807763	/nfs/dbraw/zinc/80/77/63/562807763.db2.gz	YHOKERWXWSKSRO-DEOSSOPVSA-N	-2	2	524.595	5.255	1	5		KKBFLL
CC(C)=CCc1c(=O)cc2oc3cc(O)c(OCc4cn(CC(=O)OC(C)(C)C)nn4)c(CC=C(C)C)c3c(O)c-2c1O	ZINC000169345104	562861503	/nfs/dbraw/zinc/86/15/03/562861503.db2.gz	XIHLUNSYIDXUJY-UHFFFAOYSA-N	-3	2	591.661	5.593	1	5		KKBFLL
COC(=O)c1c(Sc2c([O-])cc3oc4cc(C)cc(O)c4c(=O)c3c2C(=O)OC)c([O-])cc2oc3cc(C)cc(O)c3c(=O)c21	ZINC000299833771	562886264	/nfs/dbraw/zinc/88/62/64/562886264.db2.gz	IOGVVQBWHVFMKJ-UHFFFAOYSA-N	-2	2	630.583	5.369	1	5		KKBFLL
Cc1cc(O)c2c(O)c3c(=O)cc([O-])c4c5c([O-])c(I)c(O)c6c(=O)c7c(O)cc(C(=O)[O-])c8c1c2c(c34)c(c78)c65	ZINC000028705885	561949278	/nfs/dbraw/zinc/94/92/78/561949278.db2.gz	YXSJEOOVALKIHZ-UHFFFAOYSA-N	-3	2	660.328	5.075	1	5		KKBFLL
COc1c(O)cc2oc3cc(O)c(C/C=C(/C)COC(C)=O)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C	ZINC000095910218	560059038	/nfs/dbraw/zinc/05/90/38/560059038.db2.gz	UOQPQEKMOLGUPY-PAUOAVIZSA-N	-2	2	536.621	6.359	1	5	biogenic,in-vitro	KKBFLL
COc1cc(C/C=C/c2ccccc2/C=C/C(=O)[O-])ccc1OCCNC(=S)Nc1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1	ZINC000095556789	562761869	/nfs/dbraw/zinc/76/18/69/562761869.db2.gz	LNOUZABFZTXHEX-HGBXGJOCSA-N	-2	2	742.806	7.696	1	5		KKBFLL
Cc1c2cc3nc(cc4nc(cc5[nH]c(cc([nH]2)c1CCC(=O)[O-])c(CCC(=O)[O-])c5C)c([C@@H](C)SCC(=O)[O-])c4C)c([C@@H](C)SCC(=O)[O-])c3C	ZINC000095610818	562784631	/nfs/dbraw/zinc/78/46/31/562784631.db2.gz	MYBAHHUMANJQEZ-FGZHOGPDSA-N	-4	2	746.908	7.896	1	5		KKBFLL
O=c1oc2c(c([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2	ZINC000100764945	562807810	/nfs/dbraw/zinc/80/78/10/562807810.db2.gz	YHOKERWXWSKSRO-XMMPIXPASA-N	-2	2	524.595	5.255	1	5		KKBFLL
COc1cc(C/C=C/c2ccccc2/C=C/C(=O)[O-])ccc1OCCNC(=S)Nc1ccc(C(=O)[O-])c(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c1	ZINC000095557089	562762034	/nfs/dbraw/zinc/76/20/34/562762034.db2.gz	NSYWWOIUBTUXFD-HGBXGJOCSA-N	-2	2	742.806	7.696	1	5		KKBFLL
COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000072106481	562721045	/nfs/dbraw/zinc/72/10/45/562721045.db2.gz	KXZCBJVJOVTJEH-YZNIXAGQSA-N	-3	2	681.499	5.276	1	5		KKBFLL