smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1	ZINC000000809003	551543707	/nfs/dbraw/zinc/54/37/07/551543707.db2.gz	GQEAHPHHXYVRJG-HZHRSRAPSA-N	-2	3	525.428	5.277	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1[O-]	ZINC000002956254	552231029	/nfs/dbraw/zinc/23/10/29/552231029.db2.gz	HZZFRVCNZJGCBV-IBGZPJMESA-N	-3	3	529.920	5.166	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O	ZINC000002956254	552231032	/nfs/dbraw/zinc/23/10/32/552231032.db2.gz	HZZFRVCNZJGCBV-IBGZPJMESA-N	-2	3	529.920	5.166	50	10		KKCAHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc12)c1ccc(Br)cc1	ZINC000003076502	552285380	/nfs/dbraw/zinc/28/53/80/552285380.db2.gz	DOPASKTUSUSGDR-UHFFFAOYSA-N	-2	3	596.322	5.966	50	10		KKCAHL
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)cc1[N+](=O)[O-]	ZINC000006142799	552544317	/nfs/dbraw/zinc/54/43/17/552544317.db2.gz	VEHSTCDTCDBZBS-UHFFFAOYSA-N	-2	3	539.616	6.024	50	10		KKCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)c1	ZINC000006269477	552575821	/nfs/dbraw/zinc/57/58/21/552575821.db2.gz	OGKCHCMZLPBWIP-NRFANRHFSA-N	-3	3	523.529	5.130	50	10		KKCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)c1	ZINC000006269477	552575823	/nfs/dbraw/zinc/57/58/23/552575823.db2.gz	OGKCHCMZLPBWIP-NRFANRHFSA-N	-2	3	523.529	5.130	50	10		KKCAHL
COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2[O-])c2ccc(Cl)cc2Cl)c1[O-]	ZINC000012372136	553360656	/nfs/dbraw/zinc/36/06/56/553360656.db2.gz	DBKKZSJTYUPBDA-UHFFFAOYSA-N	-2	3	501.409	5.898	50	10		KKCAHL
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O	ZINC000013575959	553475125	/nfs/dbraw/zinc/47/51/25/553475125.db2.gz	YQUQGMFCSGCCEF-PXLXIMEGSA-N	-2	3	511.003	5.176	50	10		KKCAHL
COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000096221550	553730684	/nfs/dbraw/zinc/73/06/84/553730684.db2.gz	PJYSBULDKRGUNQ-GOSISDBHSA-N	-2	3	520.534	5.068	50	10	biogenic	KKCAHL
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c([O-])c([O-])c1-3)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000096221527	553730720	/nfs/dbraw/zinc/73/07/20/553730720.db2.gz	JYRXBRKGUJGYPK-GFCCVEGCSA-N	-2	3	501.274	5.030	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cccc(OC)c1OC(C)C)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000096222063	553730880	/nfs/dbraw/zinc/73/08/80/553730880.db2.gz	APKTVAXJXJTEFF-SFHVURJKSA-N	-2	3	520.534	5.068	50	10	biogenic	KKCAHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1[O-]	ZINC000097960828	553873643	/nfs/dbraw/zinc/87/36/43/553873643.db2.gz	CZDDGXYNHMPKCP-KPKJPENVSA-N	-2	3	542.782	5.029	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O	ZINC000100041135	554192129	/nfs/dbraw/zinc/19/21/29/554192129.db2.gz	DPSXIFOHJLSACJ-XUIWWLCJSA-N	-2	3	532.648	6.357	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c1	ZINC000100041020	554192177	/nfs/dbraw/zinc/19/21/77/554192177.db2.gz	HEUUMPOEQBYKBJ-XPKSCPAASA-N	-2	3	539.039	6.394	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c1	ZINC000100040898	554192212	/nfs/dbraw/zinc/19/22/12/554192212.db2.gz	AOYBTCLHWXRMGG-HJTNQMAYSA-N	-2	3	504.594	5.740	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000100041037	554192303	/nfs/dbraw/zinc/19/23/03/554192303.db2.gz	UCZQPPYTYICFHG-RYQLWAFASA-N	-2	3	545.430	6.430	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)cc1C	ZINC000100821951	554481270	/nfs/dbraw/zinc/48/12/70/554481270.db2.gz	YMSBSKQQGHVULD-JOCHJYFZSA-N	-3	3	537.556	5.438	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)cc1C	ZINC000100821951	554481272	/nfs/dbraw/zinc/48/12/72/554481272.db2.gz	YMSBSKQQGHVULD-JOCHJYFZSA-N	-2	3	537.556	5.438	50	10		KKCAHL
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2[O-])N3)C1	ZINC000102088504	554876992	/nfs/dbraw/zinc/87/69/92/554876992.db2.gz	KSGJPHCSDGFVTG-YYSFKGJASA-N	-2	3	544.309	6.654	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc2c(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cccc12	ZINC000106154418	571411447	/nfs/dbraw/zinc/41/14/47/571411447.db2.gz	RNDSIJCWXQVCQW-QXLZFTBOSA-N	-2	3	582.708	7.510	50	10		KKCAHL
COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108447531	571423727	/nfs/dbraw/zinc/42/37/27/571423727.db2.gz	RNTHWKDVGSXQJI-GOSISDBHSA-N	-3	3	542.496	5.230	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c([O-])c(O)c([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000108447456	571423775	/nfs/dbraw/zinc/42/37/75/571423775.db2.gz	FFSANPLSDXKSJI-FQEVSTJZSA-N	-2	3	555.583	5.243	50	10	biogenic	KKCAHL
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000108451300	571425630	/nfs/dbraw/zinc/42/56/30/571425630.db2.gz	XLRHKPTXMXNAGC-NRFANRHFSA-N	-2	3	624.598	5.288	50	10	biogenic	KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(-c3nc4ccccc4s3)c2)cc1	ZINC000138165157	571451101	/nfs/dbraw/zinc/45/11/01/571451101.db2.gz	XDGPGMOBYOJCHJ-UHFFFAOYSA-N	-2	3	549.699	6.182	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100040814	1069817198	/nfs/dbraw/zinc/81/71/98/1069817198.db2.gz	WLCRZVDRPJDLCN-YOJITOONSA-N	-2	3	567.093	7.011	50	10		KKCAHL
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000003325766	552357069	/nfs/dbraw/zinc/35/70/69/552357069.db2.gz	FOBAHPKXDNBHKQ-UHFFFAOYSA-N	-2	3	561.479	5.603	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)c(C)c1	ZINC000006088819	552530679	/nfs/dbraw/zinc/53/06/79/552530679.db2.gz	LATCUVNGESRTJD-NRFANRHFSA-N	-3	3	537.556	5.438	50	10		KKCAHL
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3ccc([O-])c(Sc4nc5ccccc5s4)c3)ccc21	ZINC000006142769	552544119	/nfs/dbraw/zinc/54/41/19/552544119.db2.gz	ROUBYEIPEZUFPS-UHFFFAOYSA-N	-2	3	544.635	5.729	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(C3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)c2)cc1	ZINC000006166128	552556423	/nfs/dbraw/zinc/55/64/23/552556423.db2.gz	IOMAJOLHFNNNII-FCDQGJHFSA-N	-2	3	502.636	5.422	50	10		KKCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)c1	ZINC000006269485	552575813	/nfs/dbraw/zinc/57/58/13/552575813.db2.gz	OGKCHCMZLPBWIP-OAQYLSRUSA-N	-3	3	523.529	5.130	50	10		KKCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)c1	ZINC000006269485	552575814	/nfs/dbraw/zinc/57/58/14/552575814.db2.gz	OGKCHCMZLPBWIP-OAQYLSRUSA-N	-2	3	523.529	5.130	50	10		KKCAHL
COC(=O)C[C@@H](c1ccc(OCCc2ccc(OC)cc2)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449768	571424890	/nfs/dbraw/zinc/42/48/90/571424890.db2.gz	LGBNHYANENALML-VWLOTQADSA-N	-2	3	582.605	5.902	50	10	biogenic	KKCAHL
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(I)cc2)c1=O	ZINC000150388656	571470933	/nfs/dbraw/zinc/47/09/33/571470933.db2.gz	ITRJNTMILHVWCT-DFEHQXHXSA-N	-2	3	728.332	6.333	50	10		KKCAHL
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(I)cc2)c1=O	ZINC000150388653	571470989	/nfs/dbraw/zinc/47/09/89/571470989.db2.gz	ITRJNTMILHVWCT-REPVBDINSA-N	-2	3	728.332	6.333	50	10		KKCAHL
COc1ccc(S(=O)(=O)c2c(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc(C(C)C)c2[O-])cc1	ZINC000003620743	552393495	/nfs/dbraw/zinc/39/34/95/552393495.db2.gz	KSTGXHRTRYQNAK-UHFFFAOYSA-N	-2	3	510.033	5.120	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c2ccccc2c1[O-]	ZINC000006142949	552544551	/nfs/dbraw/zinc/54/45/51/552544551.db2.gz	CSUAHYLSKRZQCU-HSZRJFAPSA-N	-3	3	586.544	5.232	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c2ccccc2c1O	ZINC000006142949	552544553	/nfs/dbraw/zinc/54/45/53/552544553.db2.gz	CSUAHYLSKRZQCU-HSZRJFAPSA-N	-2	3	586.544	5.232	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)c(C)c1	ZINC000008683915	553112877	/nfs/dbraw/zinc/11/28/77/553112877.db2.gz	PCUXRYBEDDOJPT-OAQYLSRUSA-N	-3	3	523.529	5.130	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)c(C)c1	ZINC000008683915	553112878	/nfs/dbraw/zinc/11/28/78/553112878.db2.gz	PCUXRYBEDDOJPT-OAQYLSRUSA-N	-2	3	523.529	5.130	50	10		KKCAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)cc1	ZINC000008871933	553172012	/nfs/dbraw/zinc/17/20/12/553172012.db2.gz	DUBYSBPHHBTQFA-OAQYLSRUSA-N	-3	3	523.529	5.075	50	10		KKCAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)cc1	ZINC000008871933	553172016	/nfs/dbraw/zinc/17/20/16/553172016.db2.gz	DUBYSBPHHBTQFA-OAQYLSRUSA-N	-2	3	523.529	5.075	50	10		KKCAHL
COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000096221552	553730740	/nfs/dbraw/zinc/73/07/40/553730740.db2.gz	PJYSBULDKRGUNQ-SFHVURJKSA-N	-2	3	520.534	5.068	50	10	biogenic	KKCAHL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(I)cc(I)c1[O-]	ZINC000097961003	553874831	/nfs/dbraw/zinc/87/48/31/553874831.db2.gz	ILLWEPDSJIRDST-LFYBBSHMSA-N	-2	3	655.049	5.036	50	10		KKCAHL
CCCCCCc1ccc(C(=O)Nc2ccc([O-])c3c2C(=O)c2c(NC(=O)c4ccc(CCCCCC)cc4)ccc([O-])c2C3=O)cc1	ZINC000098048375	554161529	/nfs/dbraw/zinc/16/15/29/554161529.db2.gz	DWXVXBJEJRIVNP-UHFFFAOYSA-N	-2	3	646.784	8.623	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000100041033	554192170	/nfs/dbraw/zinc/19/21/70/554192170.db2.gz	UCZQPPYTYICFHG-WFOJNGAISA-N	-2	3	545.430	6.430	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000101128301	554646339	/nfs/dbraw/zinc/64/63/39/554646339.db2.gz	KITYCEFPRPAOIQ-HYARGMPZSA-N	-2	3	559.873	5.930	50	10		KKCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O	ZINC000101149007	554656748	/nfs/dbraw/zinc/65/67/48/554656748.db2.gz	DSDQUTMMILTWIO-DFEHQXHXSA-N	-2	3	545.430	6.430	50	10		KKCAHL
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2[O-])N3)C1	ZINC000102088499	554877007	/nfs/dbraw/zinc/87/70/07/554877007.db2.gz	KSGJPHCSDGFVTG-LZVRBXCZSA-N	-2	3	544.309	6.654	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N=Nc3c(Nc4ccccc4)[n-]n(-c4ccccc4)c3=O)cc2)cc1	ZINC000102151727	554889739	/nfs/dbraw/zinc/88/97/39/554889739.db2.gz	HLYZXQCGMHGDTA-YQIGTUNFSA-N	-2	3	524.606	5.721	50	10		KKCAHL
COC(=O)C[C@H](c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108447832	571423909	/nfs/dbraw/zinc/42/39/09/571423909.db2.gz	QJMYSYARRDTJSK-XMMPIXPASA-N	-2	3	624.642	5.837	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448598	571424418	/nfs/dbraw/zinc/42/44/18/571424418.db2.gz	QERXKFBGWYSRRI-VWLOTQADSA-N	-2	3	625.630	5.818	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449939	571425018	/nfs/dbraw/zinc/42/50/18/571425018.db2.gz	OPLHFYPOJLOROJ-DEOSSOPVSA-N	-2	3	594.616	5.828	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108450666	571425371	/nfs/dbraw/zinc/42/53/71/571425371.db2.gz	KGMZHSSDEBMPHL-DEOSSOPVSA-N	-2	3	624.642	5.837	50	10	biogenic	KKCAHL
COc1ccc(Cl)cc1C(=O)[N-]c1cc2c(cc1[N-]C(=O)c1cc(Cl)ccc1OC)[n+]([O-])c1ccccc1[n+]2[O-]	ZINC000247894848	572248653	/nfs/dbraw/zinc/24/86/53/572248653.db2.gz	OHBFGDLLLACCGL-UHFFFAOYSA-N	-2	3	579.396	5.088	50	10		KKCAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)cc4C)c3=O)cc2)cc1	ZINC000000809212	551543693	/nfs/dbraw/zinc/54/36/93/551543693.db2.gz	LFWXRJWOZBWRMK-KOEQRZSOSA-N	-2	3	504.612	5.221	50	10		KKCAHL
COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2[O-])c2cccc(Cl)c2Cl)c1[O-]	ZINC000012372140	553360687	/nfs/dbraw/zinc/36/06/87/553360687.db2.gz	UKPWJRYHJKVCSP-UHFFFAOYSA-N	-2	3	501.409	5.898	50	10		KKCAHL
CCOC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OCC)c2[O-])c2cccc(OC)c2OC)c1[O-]	ZINC000012413789	553364706	/nfs/dbraw/zinc/36/47/06/553364706.db2.gz	BCLNEDAXLNINEX-UHFFFAOYSA-N	-2	3	520.625	5.388	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c1	ZINC000016292697	553559257	/nfs/dbraw/zinc/55/92/57/553559257.db2.gz	PKGCHEPSVUZENS-ZZZAPRPPSA-N	-3	3	520.593	5.446	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c1	ZINC000016292697	553559260	/nfs/dbraw/zinc/55/92/60/553559260.db2.gz	PKGCHEPSVUZENS-ZZZAPRPPSA-N	-2	3	520.593	5.446	50	10		KKCAHL
COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1[O-]	ZINC000085879598	553689735	/nfs/dbraw/zinc/68/97/35/553689735.db2.gz	OKPRAOPRQMOASK-UHFFFAOYSA-N	-2	3	519.554	5.710	50	10	biogenic	KKCAHL
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c([O-])c([O-])c1-3)[C@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000096221525	553730551	/nfs/dbraw/zinc/73/05/51/553730551.db2.gz	JYRXBRKGUJGYPK-LBPRGKRZSA-N	-2	3	501.274	5.030	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108447534	571423801	/nfs/dbraw/zinc/42/38/01/571423801.db2.gz	RNTHWKDVGSXQJI-SFHVURJKSA-N	-3	3	542.496	5.230	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448451	571424181	/nfs/dbraw/zinc/42/41/81/571424181.db2.gz	OMTYAVMNZCQKEU-LJQANCHMSA-N	-2	3	556.523	5.318	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448465	571424274	/nfs/dbraw/zinc/42/42/74/571424274.db2.gz	KSRNRYFDTQTVSN-SFHVURJKSA-N	-3	3	542.496	5.230	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1cc2cc3ccccc3cc2[nH]c1=O)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108451526	571425777	/nfs/dbraw/zinc/42/57/77/571425777.db2.gz	HADQVKZVHDIADJ-HXUWFJFHSA-N	-2	3	549.535	5.267	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108450548	193926072	/nfs/dbraw/zinc/92/60/72/193926072.db2.gz	RSQLULNQZUJINX-DEOSSOPVSA-N	-2	3	552.579	5.893	50	10	biogenic	KKCAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)cc2)cc1	ZINC000001421583	551668618	/nfs/dbraw/zinc/66/86/18/551668618.db2.gz	LMPUWTMQDCNGOQ-LFVJCYFKSA-N	-2	3	511.003	5.258	50	10		KKCAHL
O=C1c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc21	ZINC000004517648	552462216	/nfs/dbraw/zinc/46/22/16/552462216.db2.gz	IBWRFYXHBPFPRT-UHFFFAOYSA-N	-2	3	676.364	5.589	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1[O-]	ZINC000006142942	552544535	/nfs/dbraw/zinc/54/45/35/552544535.db2.gz	VOIXRUSNBUGMIJ-QHCPKHFHSA-N	-3	3	545.535	5.666	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O	ZINC000006142942	552544538	/nfs/dbraw/zinc/54/45/38/552544538.db2.gz	VOIXRUSNBUGMIJ-QHCPKHFHSA-N	-2	3	545.535	5.666	50	10		KKCAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)cc1	ZINC000008871932	553171950	/nfs/dbraw/zinc/17/19/50/553171950.db2.gz	DUBYSBPHHBTQFA-NRFANRHFSA-N	-3	3	523.529	5.075	50	10		KKCAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)cc1	ZINC000008871932	553171954	/nfs/dbraw/zinc/17/19/54/553171954.db2.gz	DUBYSBPHHBTQFA-NRFANRHFSA-N	-2	3	523.529	5.075	50	10		KKCAHL
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000013804326	553491487	/nfs/dbraw/zinc/49/14/87/553491487.db2.gz	HLDCJIGZVGRJGB-VDKIKQQVSA-N	-2	3	505.357	5.903	50	10		KKCAHL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1[O-]	ZINC000097960952	553874393	/nfs/dbraw/zinc/87/43/93/553874393.db2.gz	INALQNRLHLELLV-GHXNOFRVSA-N	-2	3	540.233	5.214	50	10		KKCAHL
Cc1cc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)ccc1Cl	ZINC000100822116	554481255	/nfs/dbraw/zinc/48/12/55/554481255.db2.gz	GBEDBZBQDGUTJM-FQEVSTJZSA-N	-3	3	543.947	5.475	50	10		KKCAHL
Cc1cc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)ccc1Cl	ZINC000100822116	554481258	/nfs/dbraw/zinc/48/12/58/554481258.db2.gz	GBEDBZBQDGUTJM-FQEVSTJZSA-N	-2	3	543.947	5.475	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c1	ZINC000101114356	554642570	/nfs/dbraw/zinc/64/25/70/554642570.db2.gz	LFMXWJUZIARKEQ-XUIWWLCJSA-N	-2	3	532.648	6.357	50	10		KKCAHL
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O	ZINC000101124877	554644812	/nfs/dbraw/zinc/64/48/12/554644812.db2.gz	ZHQVHQXBDKSYIG-LFVJCYFKSA-N	-2	3	504.612	5.140	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3ccccc3C)c2=O)c1	ZINC000101140602	554653170	/nfs/dbraw/zinc/65/31/70/554653170.db2.gz	PEWNSLROSFETIN-WPHIWBHXSA-N	-2	3	539.039	6.394	50	10		KKCAHL
COC(=O)C[C@H](c1coc2ccc(Cl)cc2c1=O)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449686	571424901	/nfs/dbraw/zinc/42/49/01/571424901.db2.gz	KNCKQLRJNNLGGW-OAHLLOKOSA-N	-2	3	534.904	5.032	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccc(OCC(C)C)c(OC)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108451058	571425499	/nfs/dbraw/zinc/42/54/99/571425499.db2.gz	YBZUIXSTXIPNBJ-LJQANCHMSA-N	-2	3	534.561	5.315	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108451605	571425799	/nfs/dbraw/zinc/42/57/99/571425799.db2.gz	FFLGINURRIUQFE-GOSISDBHSA-N	-3	3	542.496	5.230	50	10	biogenic	KKCAHL
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000004389222	552458524	/nfs/dbraw/zinc/45/85/24/552458524.db2.gz	KITYCEFPRPAOIQ-HMAPJEAMSA-N	-2	3	559.873	5.930	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCC(=O)C3)c([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1	ZINC000004647593	552470664	/nfs/dbraw/zinc/47/06/64/552470664.db2.gz	YDOSWXQZRWUXSD-NRFANRHFSA-N	-2	3	548.686	5.895	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1[O-]	ZINC000006214549	552570643	/nfs/dbraw/zinc/57/06/43/552570643.db2.gz	LPHCXWMTSQGNSH-IBGZPJMESA-N	-3	3	574.371	5.275	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	ZINC000006214549	552570647	/nfs/dbraw/zinc/57/06/47/552570647.db2.gz	LPHCXWMTSQGNSH-IBGZPJMESA-N	-2	3	574.371	5.275	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1[O-]	ZINC000006214584	552570677	/nfs/dbraw/zinc/57/06/77/552570677.db2.gz	LPHCXWMTSQGNSH-LJQANCHMSA-N	-3	3	574.371	5.275	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O	ZINC000006214584	552570680	/nfs/dbraw/zinc/57/06/80/552570680.db2.gz	LPHCXWMTSQGNSH-LJQANCHMSA-N	-2	3	574.371	5.275	50	10		KKCAHL
CCCCCC1CCC(c2ccc(C(=O)Nc3ccc([O-])c4c3C(=O)c3c(NC(=O)c5ccc(C6CCC(CCCCC)CC6)cc5)ccc([O-])c3C4=O)cc2)CC1	ZINC000097997134	554039832	/nfs/dbraw/zinc/03/98/32/554039832.db2.gz	MHTJSBASPQJBPN-UHFFFAOYSA-N	-2	3	783.022	12.086	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100040848	554192231	/nfs/dbraw/zinc/19/22/31/554192231.db2.gz	DVKHSXJEOVWDGM-YAGSLNJISA-N	-2	3	532.648	6.357	50	10		KKCAHL
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c([O-])c(Br)c2[O-])N3)C1	ZINC000102088510	554877019	/nfs/dbraw/zinc/87/70/19/554877019.db2.gz	KSGJPHCSDGFVTG-DYBLOJMWSA-N	-2	3	544.309	6.654	50	10		KKCAHL
COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448499	571424216	/nfs/dbraw/zinc/42/42/16/571424216.db2.gz	FYYULDKXGGMKEA-LJQANCHMSA-N	-2	3	560.643	6.572	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cccc(OCc2ccc(C(C)C)cc2)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448918	571424543	/nfs/dbraw/zinc/42/45/43/571424543.db2.gz	JRTWIOJTCRAXDT-SANMLTNESA-N	-2	3	580.633	6.974	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1cccc(OCc2ccc(C(C)C)cc2)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448915	571424570	/nfs/dbraw/zinc/42/45/70/571424570.db2.gz	JRTWIOJTCRAXDT-AREMUKBSSA-N	-2	3	580.633	6.974	50	10	biogenic	KKCAHL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000006065431	552521354	/nfs/dbraw/zinc/52/13/54/552521354.db2.gz	ARVKCAANECQVGA-HZHRSRAPSA-N	-2	3	539.455	5.585	50	10		KKCAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4)c3=O)cc2)cc1	ZINC000006065423	552521378	/nfs/dbraw/zinc/52/13/78/552521378.db2.gz	CGBQGMVSWKARQA-LFVJCYFKSA-N	-2	3	555.454	5.367	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1[O-]	ZINC000006142943	552544515	/nfs/dbraw/zinc/54/45/15/552544515.db2.gz	VOIXRUSNBUGMIJ-HSZRJFAPSA-N	-3	3	545.535	5.666	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O	ZINC000006142943	552544518	/nfs/dbraw/zinc/54/45/18/552544518.db2.gz	VOIXRUSNBUGMIJ-HSZRJFAPSA-N	-2	3	545.535	5.666	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1[O-]	ZINC000006214586	552570664	/nfs/dbraw/zinc/57/06/64/552570664.db2.gz	HZZFRVCNZJGCBV-LJQANCHMSA-N	-3	3	529.920	5.166	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O	ZINC000006214586	552570666	/nfs/dbraw/zinc/57/06/66/552570666.db2.gz	HZZFRVCNZJGCBV-LJQANCHMSA-N	-2	3	529.920	5.166	50	10		KKCAHL
COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2[O-])c2c(C)sc3ccccc32)c1[O-]	ZINC000012372372	553360861	/nfs/dbraw/zinc/36/08/61/553360861.db2.gz	STNBFYSVWRGFJO-UHFFFAOYSA-N	-2	3	502.635	6.114	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000033354767	553931286	/nfs/dbraw/zinc/93/12/86/553931286.db2.gz	WLCRZVDRPJDLCN-KYGWZODQSA-N	-2	3	567.093	7.011	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000100031455	554185927	/nfs/dbraw/zinc/18/59/27/554185927.db2.gz	YZHFWQYHQJBERD-HYARGMPZSA-N	-2	3	545.846	5.622	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100040841	554192147	/nfs/dbraw/zinc/19/21/47/554192147.db2.gz	DVKHSXJEOVWDGM-LZUTUTKMSA-N	-2	3	532.648	6.357	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O	ZINC000100041128	554192247	/nfs/dbraw/zinc/19/22/47/554192247.db2.gz	DPSXIFOHJLSACJ-HJTNQMAYSA-N	-2	3	532.648	6.357	50	10		KKCAHL
COc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)cc2)cc1	ZINC000100364361	554349382	/nfs/dbraw/zinc/34/93/82/554349382.db2.gz	GDIISXSXYAHLHX-DEDYPNTBSA-N	-2	3	565.866	6.175	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc2c(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cccc12	ZINC000101112531	554642127	/nfs/dbraw/zinc/64/21/27/554642127.db2.gz	RNDSIJCWXQVCQW-GKTLAHRSSA-N	-2	3	582.708	7.510	50	10		KKCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)c1	ZINC000101141901	554653656	/nfs/dbraw/zinc/65/36/56/554653656.db2.gz	JOZNKKSRTZUNOI-RYQLWAFASA-N	-2	3	545.430	6.430	50	10		KKCAHL
O=S(=O)([N-]c1ccc([O-])c(C2=C(N3CCOCC3)/C(=C/c3ccc(Br)cc3)CC2)c1)c1ccccc1	ZINC000003170067	571360325	/nfs/dbraw/zinc/36/03/25/571360325.db2.gz	PSIZZZQDUCZNOI-DYTRJAOYSA-N	-2	3	567.505	5.876	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Sc2ccc(NC=C3C(=O)N(c4ccccc4)N=C3C)cc2)cc1	ZINC000103872892	571368297	/nfs/dbraw/zinc/36/82/97/571368297.db2.gz	KFEBYXJXGYSAOF-MXEGIGMXSA-N	-2	3	584.705	7.275	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)cc1	ZINC000103872892	571368298	/nfs/dbraw/zinc/36/82/98/571368298.db2.gz	KFEBYXJXGYSAOF-MXEGIGMXSA-N	-2	3	584.705	7.275	50	10		KKCAHL
COC(=O)C[C@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448595	571424395	/nfs/dbraw/zinc/42/43/95/571424395.db2.gz	QERXKFBGWYSRRI-RUZDIDTESA-N	-2	3	625.630	5.818	50	10	biogenic	KKCAHL
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCc1ccc(C(C)C)cc1	ZINC000108449614	571424799	/nfs/dbraw/zinc/42/47/99/571424799.db2.gz	FRKHYDRDRJDJCM-JOCHJYFZSA-N	-2	3	610.615	6.434	50	10	biogenic	KKCAHL
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000108451304	571425607	/nfs/dbraw/zinc/42/56/07/571425607.db2.gz	XLRHKPTXMXNAGC-OAQYLSRUSA-N	-2	3	624.598	5.288	50	10	biogenic	KKCAHL
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCc1ccccc1	ZINC000108451557	571425754	/nfs/dbraw/zinc/42/57/54/571425754.db2.gz	HOVSAMZKDZJTSH-LJQANCHMSA-N	-2	3	568.534	5.311	50	10	biogenic	KKCAHL
COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000108451538	571425853	/nfs/dbraw/zinc/42/58/53/571425853.db2.gz	IBIZKNUAUUSVCQ-OAQYLSRUSA-N	-2	3	612.587	5.362	50	10	biogenic	KKCAHL
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)ccc4cc(S(=O)(=O)[O-])cc([O-])c43)cc2)cc1	ZINC000257349233	572321554	/nfs/dbraw/zinc/32/15/54/572321554.db2.gz	MPTZYMIJXLJHHT-UHFFFAOYSA-N	-4	3	684.712	7.560	50	10		KKCAHL
COc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)cc2)cc1	ZINC000006028170	552520593	/nfs/dbraw/zinc/52/05/93/552520593.db2.gz	GDIISXSXYAHLHX-MOSHPQCFSA-N	-2	3	565.866	6.175	50	10		KKCAHL
CCOC(=O)[C@H](C(C)=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000006266901	552575521	/nfs/dbraw/zinc/57/55/21/552575521.db2.gz	YFFGETRTCCAJLJ-MUUNZHRXSA-N	-2	3	594.711	5.294	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)cc2)cc1	ZINC000008716710	553128879	/nfs/dbraw/zinc/12/88/79/553128879.db2.gz	PLUGFVXVQITWCK-CDSIFPFTSA-N	-2	3	653.595	8.582	50	10		KKCAHL
COC(=O)c1c(C)sc(/C(=C(/[O-])c2ccc(Cl)s2)c2sc(C)c(C(=O)OC)c2O)c1[O-]	ZINC000012372122	553360675	/nfs/dbraw/zinc/36/06/75/553360675.db2.gz	DWRSXTFRUXLFMH-UHFFFAOYSA-N	-2	3	501.003	5.141	50	10		KKCAHL
COC(=O)c1c(C)sc(/C(=C(\[O-])c2ccc(Cl)s2)c2sc(C)c(C(=O)OC)c2O)c1[O-]	ZINC000012372122	553360677	/nfs/dbraw/zinc/36/06/77/553360677.db2.gz	DWRSXTFRUXLFMH-UHFFFAOYSA-N	-2	3	501.003	5.141	50	10		KKCAHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1[O-]	ZINC000012464326	553367491	/nfs/dbraw/zinc/36/74/91/553367491.db2.gz	BGKYSXVZFCZNBF-LSHDLFTRSA-N	-2	3	521.013	5.579	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c1	ZINC000015134040	553528226	/nfs/dbraw/zinc/52/82/26/553528226.db2.gz	AOYBTCLHWXRMGG-HJVIKEODSA-N	-2	3	504.594	5.740	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)c(C)c1	ZINC000100114874	554222931	/nfs/dbraw/zinc/22/29/31/554222931.db2.gz	PCUXRYBEDDOJPT-NRFANRHFSA-N	-3	3	523.529	5.130	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)c(C)c1	ZINC000100114874	554222933	/nfs/dbraw/zinc/22/29/33/554222933.db2.gz	PCUXRYBEDDOJPT-NRFANRHFSA-N	-2	3	523.529	5.130	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1[O-]	ZINC000100627853	554435297	/nfs/dbraw/zinc/43/52/97/554435297.db2.gz	CBHJXOMMFKETNF-QFIPXVFZSA-N	-3	3	551.583	5.810	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1O	ZINC000100627853	554435298	/nfs/dbraw/zinc/43/52/98/554435298.db2.gz	CBHJXOMMFKETNF-QFIPXVFZSA-N	-2	3	551.583	5.810	50	10		KKCAHL
Cc1cc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)ccc1Cl	ZINC000100822117	554481125	/nfs/dbraw/zinc/48/11/25/554481125.db2.gz	GBEDBZBQDGUTJM-HXUWFJFHSA-N	-3	3	543.947	5.475	50	10		KKCAHL
Cc1cc(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)ccc1Cl	ZINC000100822117	554481131	/nfs/dbraw/zinc/48/11/31/554481131.db2.gz	GBEDBZBQDGUTJM-HXUWFJFHSA-N	-2	3	543.947	5.475	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Sc3nc4ccccc4s3)c2)cc1	ZINC000107274750	571420037	/nfs/dbraw/zinc/42/00/37/571420037.db2.gz	CSLJPFGYIUDWCN-UHFFFAOYSA-N	-2	3	581.766	6.666	50	10		KKCAHL
COC(=O)C[C@@H](c1cccc(OC)c1OCCc1ccc(OC)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108447936	571423861	/nfs/dbraw/zinc/42/38/61/571423861.db2.gz	DDXDSBSKVFQCGE-DEOSSOPVSA-N	-2	3	612.631	5.911	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1cc2cc(OC)ccc2n(CC(C)C)c1=O)c1c([O-])c(O)c([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000108448243	571424135	/nfs/dbraw/zinc/42/41/35/571424135.db2.gz	ZDBBZBGFSGBOEC-OAQYLSRUSA-N	-2	3	585.609	5.251	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1cccc(OC)c1OCCc1ccc2c(c1)CCO2)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449506	571424842	/nfs/dbraw/zinc/42/48/42/571424842.db2.gz	MMPLVSBMCAPCST-XMMPIXPASA-N	-2	3	624.642	5.837	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1coc2ccc(Cl)cc2c1=O)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449684	571424881	/nfs/dbraw/zinc/42/48/81/571424881.db2.gz	KNCKQLRJNNLGGW-HNNXBMFYSA-N	-2	3	534.904	5.032	50	10	biogenic	KKCAHL
O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000137910334	571450857	/nfs/dbraw/zinc/45/08/57/571450857.db2.gz	HLDCJIGZVGRJGB-SONWIMMPSA-N	-2	3	505.357	5.903	50	10		KKCAHL
O=C1C=Cc2ccccc2C1=NNC1=CC(S(=O)(=O)[O-])=CC(=NNc2c([O-])ccc3cc(S(=O)(=O)[O-])ccc32)C1=O	ZINC000257347792	572320935	/nfs/dbraw/zinc/32/09/35/572320935.db2.gz	UNQKGOZAZKPDEY-UHFFFAOYSA-N	-3	3	594.583	6.434	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCC(=O)C3)c([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1	ZINC000004647592	552470739	/nfs/dbraw/zinc/47/07/39/552470739.db2.gz	YDOSWXQZRWUXSD-OAQYLSRUSA-N	-2	3	548.686	5.895	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)c(C)c1	ZINC000006088820	552530730	/nfs/dbraw/zinc/53/07/30/552530730.db2.gz	LATCUVNGESRTJD-OAQYLSRUSA-N	-3	3	537.556	5.438	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)cc1	ZINC000008716738	553128890	/nfs/dbraw/zinc/12/88/90/553128890.db2.gz	KFEBYXJXGYSAOF-RYJWMXFHSA-N	-2	3	584.705	7.275	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)c(C)c1	ZINC000008871920	553171988	/nfs/dbraw/zinc/17/19/88/553171988.db2.gz	RMNSSOWFTSQGSM-UHFFFAOYSA-N	-2	3	506.674	7.032	50	10		KKCAHL
COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1[O-]	ZINC000085879574	553689728	/nfs/dbraw/zinc/68/97/28/553689728.db2.gz	VLURQUCBMQCBAW-UHFFFAOYSA-N	-2	3	505.527	5.320	50	10	biogenic	KKCAHL
CCOC(=O)C(C(=O)OCC)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000097961400	553877686	/nfs/dbraw/zinc/87/76/86/553877686.db2.gz	JAIXEKBMBNKYLT-UHFFFAOYSA-N	-2	3	624.737	5.268	50	10		KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N=Nc3c(Nc4ccccc4)[n-]n(-c4ccccc4)c3=O)cc2)cc1	ZINC000097963987	553895687	/nfs/dbraw/zinc/89/56/87/553895687.db2.gz	HLYZXQCGMHGDTA-SLFBTFMYSA-N	-2	3	524.606	5.721	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100040845	554192139	/nfs/dbraw/zinc/19/21/39/554192139.db2.gz	DVKHSXJEOVWDGM-QCOHSWCKSA-N	-2	3	532.648	6.357	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000059796643	554430576	/nfs/dbraw/zinc/43/05/76/554430576.db2.gz	WOQHZYYVDXERQM-BUVRLJJBSA-N	-2	3	539.455	5.585	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1[O-]	ZINC000100627855	554435290	/nfs/dbraw/zinc/43/52/90/554435290.db2.gz	CBHJXOMMFKETNF-JOCHJYFZSA-N	-3	3	551.583	5.810	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1O	ZINC000100627855	554435292	/nfs/dbraw/zinc/43/52/92/554435292.db2.gz	CBHJXOMMFKETNF-JOCHJYFZSA-N	-2	3	551.583	5.810	50	10		KKCAHL
COc1ccc(CCOc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c([O-])c(-c6ccc(O)c(O)c6)oc-5c43)ccc2OC)cc1	ZINC000108448399	571424258	/nfs/dbraw/zinc/42/42/58/571424258.db2.gz	NXJLRTWACLZUAZ-NRFANRHFSA-N	-2	3	612.587	5.362	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cccc(OC)c1OCCc1ccc2c(c1)CCO2)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449509	571424877	/nfs/dbraw/zinc/42/48/77/571424877.db2.gz	MMPLVSBMCAPCST-DEOSSOPVSA-N	-2	3	624.642	5.837	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccc(OCCc2ccccc2)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108450545	571425317	/nfs/dbraw/zinc/42/53/17/571425317.db2.gz	RSQLULNQZUJINX-XMMPIXPASA-N	-2	3	552.579	5.893	50	10	biogenic	KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100040822	1069817355	/nfs/dbraw/zinc/81/73/55/1069817355.db2.gz	WLCRZVDRPJDLCN-ODBZBXGJSA-N	-2	3	567.093	7.011	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)c(C)c1	ZINC000000834455	551546636	/nfs/dbraw/zinc/54/66/36/551546636.db2.gz	OYYOEDCFJILMRN-UHFFFAOYSA-N	-2	3	522.692	6.292	50	10		KKCAHL
CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)c(C(C)C)c1	ZINC000005345154	552497936	/nfs/dbraw/zinc/49/79/36/552497936.db2.gz	DBWWYCKJGGGKBZ-UHFFFAOYSA-N	-2	3	640.956	10.029	50	10		KKCAHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)c1	ZINC000008871919	553171907	/nfs/dbraw/zinc/17/19/07/553171907.db2.gz	FMIWNYAIKVGURD-UHFFFAOYSA-N	-2	3	509.590	6.015	50	10		KKCAHL
COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2[O-])c2c(Cl)cccc2Cl)c1[O-]	ZINC000012372126	553360668	/nfs/dbraw/zinc/36/06/68/553360668.db2.gz	HHTMOEGWJVWPCL-UHFFFAOYSA-N	-2	3	501.409	5.898	50	10		KKCAHL
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(I)cc2)c1=O	ZINC000097944371	553769371	/nfs/dbraw/zinc/76/93/71/553769371.db2.gz	ITRJNTMILHVWCT-MPKYGIEOSA-N	-2	3	728.332	6.333	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000100041062	554192186	/nfs/dbraw/zinc/19/21/86/554192186.db2.gz	FDHULDKYQKRREM-PMICNGQHSA-N	-2	3	579.875	7.084	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000100041059	554192224	/nfs/dbraw/zinc/19/22/24/554192224.db2.gz	FDHULDKYQKRREM-KZSQTELISA-N	-2	3	579.875	7.084	50	10		KKCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000100148906	554230961	/nfs/dbraw/zinc/23/09/61/554230961.db2.gz	BWOWWNUNCWWQPW-HYARGMPZSA-N	-2	3	545.846	5.622	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c([O-])c3ccccc23)cc1C	ZINC000100821949	554481217	/nfs/dbraw/zinc/48/12/17/554481217.db2.gz	YMSBSKQQGHVULD-QFIPXVFZSA-N	-3	3	537.556	5.438	50	10		KKCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)cc1C	ZINC000100821949	554481219	/nfs/dbraw/zinc/48/12/19/554481219.db2.gz	YMSBSKQQGHVULD-QFIPXVFZSA-N	-2	3	537.556	5.438	50	10		KKCAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C3=C([O-])CC(C)(C)CC3=O)c2)cc1	ZINC000103116985	555288687	/nfs/dbraw/zinc/28/86/87/555288687.db2.gz	PNSXPCLNQOAZKS-UHFFFAOYSA-N	-3	3	638.852	6.925	50	10		KKCAHL
COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448502	571424300	/nfs/dbraw/zinc/42/43/00/571424300.db2.gz	FYYULDKXGGMKEA-IBGZPJMESA-N	-2	3	560.643	6.572	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cccc(OC)c1OCCc1ccccc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448724	571424367	/nfs/dbraw/zinc/42/43/67/571424367.db2.gz	HAHCOVJCZSVKSS-QHCPKHFHSA-N	-2	3	582.605	5.902	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccccc1OCCc1ccc(OC)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449027	571424557	/nfs/dbraw/zinc/42/45/57/571424557.db2.gz	PYSHFRONZRCDKZ-DEOSSOPVSA-N	-2	3	582.605	5.902	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108451608	571425866	/nfs/dbraw/zinc/42/58/66/571425866.db2.gz	FFLGINURRIUQFE-SFHVURJKSA-N	-3	3	542.496	5.230	50	10	biogenic	KKCAHL
CCCCCOc1ccc(Cl)cc1C(=O)[N-]c1cc2c(cc1[N-]C(=O)c1cc(Cl)ccc1OCCCCC)[n+]([O-])c1ccccc1[n+]2[O-]	ZINC000248258762	572257385	/nfs/dbraw/zinc/25/73/85/572257385.db2.gz	LQKNHVHDPYMYPG-UHFFFAOYSA-N	-2	3	691.612	8.209	50	10		KKCAHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)ccc1Cl	ZINC000011024940	553338681	/nfs/dbraw/zinc/33/86/81/553338681.db2.gz	LABHJEJRIVODBQ-UHFFFAOYSA-N	-2	3	544.035	6.669	50	10		KKCAHL
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O	ZINC000017950993	553600688	/nfs/dbraw/zinc/60/06/88/553600688.db2.gz	ZHQVHQXBDKSYIG-JLPGSUDCSA-N	-2	3	504.612	5.140	50	10		KKCAHL
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C([O-])=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1[O-]	ZINC000072099655	553640015	/nfs/dbraw/zinc/64/00/15/553640015.db2.gz	VRBLWSNMXXFIDO-YGCIHOFZSA-N	-4	3	612.598	6.004	50	10		KKCAHL
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NN=C4C=CC(=O)C(O)=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1[O-]	ZINC000072099655	553640019	/nfs/dbraw/zinc/64/00/19/553640019.db2.gz	VRBLWSNMXXFIDO-YGCIHOFZSA-N	-3	3	612.598	6.004	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000033354881	553931877	/nfs/dbraw/zinc/93/18/77/553931877.db2.gz	APDUWRZTGRHJQP-YBOYZMIGSA-N	-3	3	561.429	6.136	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000033354881	553931879	/nfs/dbraw/zinc/93/18/79/553931879.db2.gz	APDUWRZTGRHJQP-YBOYZMIGSA-N	-2	3	561.429	6.136	50	10		KKCAHL
COC(=O)c1c(C)sc(C(C(=O)c2ccc(C(F)(F)F)cc2)c2sc(C)c(C(=O)OC)c2[O-])c1[O-]	ZINC000098048353	554161226	/nfs/dbraw/zinc/16/12/26/554161226.db2.gz	PACORKIILVQPLD-UHFFFAOYSA-N	-2	3	528.526	5.444	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000100041056	554192261	/nfs/dbraw/zinc/19/22/61/554192261.db2.gz	FDHULDKYQKRREM-YBOYZMIGSA-N	-2	3	579.875	7.084	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148774	554231027	/nfs/dbraw/zinc/23/10/27/554231027.db2.gz	UTZQTXAHXSALFA-YBOYZMIGSA-N	-3	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148774	554231031	/nfs/dbraw/zinc/23/10/31/554231031.db2.gz	UTZQTXAHXSALFA-YBOYZMIGSA-N	-2	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148788	554231051	/nfs/dbraw/zinc/23/10/51/554231051.db2.gz	UTZQTXAHXSALFA-OZEVPFDHSA-N	-3	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148788	554231054	/nfs/dbraw/zinc/23/10/54/554231054.db2.gz	UTZQTXAHXSALFA-OZEVPFDHSA-N	-2	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000100930997	554527244	/nfs/dbraw/zinc/52/72/44/554527244.db2.gz	XIZREEIIWSMVHW-HYARGMPZSA-N	-2	3	501.395	5.513	50	10		KKCAHL
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O	ZINC000101125138	554644799	/nfs/dbraw/zinc/64/47/99/554644799.db2.gz	BYEPXFRHFNGSFT-PXLXIMEGSA-N	-2	3	511.003	5.176	50	10		KKCAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4)c3=O)cc2)cc1	ZINC000103864696	571367980	/nfs/dbraw/zinc/36/79/80/571367980.db2.gz	CGBQGMVSWKARQA-JLPGSUDCSA-N	-2	3	555.454	5.367	50	10		KKCAHL
COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c([O-])c(O)c([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000108447459	571423783	/nfs/dbraw/zinc/42/37/83/571423783.db2.gz	FFSANPLSDXKSJI-HXUWFJFHSA-N	-2	3	555.583	5.243	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cc2cc(OC)ccc2n(CC(C)C)c1=O)c1c([O-])c(O)c([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000108448239	571424129	/nfs/dbraw/zinc/42/41/29/571424129.db2.gz	ZDBBZBGFSGBOEC-NRFANRHFSA-N	-2	3	585.609	5.251	50	10	biogenic	KKCAHL
COc1ccc(CCOc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c([O-])c(-c6ccc(O)c(O)c6)oc-5c43)ccc2OC)cc1	ZINC000108448402	571424271	/nfs/dbraw/zinc/42/42/71/571424271.db2.gz	NXJLRTWACLZUAZ-OAQYLSRUSA-N	-2	3	612.587	5.362	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccc(OCCc2ccc(OC)cc2)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449766	571424807	/nfs/dbraw/zinc/42/48/07/571424807.db2.gz	LGBNHYANENALML-RUZDIDTESA-N	-2	3	582.605	5.902	50	10	biogenic	KKCAHL
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCc1ccc(C(C)C)cc1	ZINC000108449611	571424872	/nfs/dbraw/zinc/42/48/72/571424872.db2.gz	FRKHYDRDRJDJCM-QFIPXVFZSA-N	-2	3	610.615	6.434	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(OCc2ccc(C(C)C)cc2)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108450322	571425116	/nfs/dbraw/zinc/42/51/16/571425116.db2.gz	OGSJKSMGCHIGDW-SANMLTNESA-N	-2	3	580.633	6.974	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccc(OCc2ccc(C(C)C)cc2)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108450319	571425190	/nfs/dbraw/zinc/42/51/90/571425190.db2.gz	OGSJKSMGCHIGDW-AREMUKBSSA-N	-2	3	580.633	6.974	50	10	biogenic	KKCAHL
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCc1ccccc1	ZINC000108451554	571425788	/nfs/dbraw/zinc/42/57/88/571425788.db2.gz	HOVSAMZKDZJTSH-IBGZPJMESA-N	-2	3	568.534	5.311	50	10	biogenic	KKCAHL
O=C([O-])c1cc(-c2ccc(C=C3SC(=S)N(N=C([O-])NC4CCCCC4)C3=O)o2)ccc1Cl	ZINC000111848626	571433578	/nfs/dbraw/zinc/43/35/78/571433578.db2.gz	TUQSNDRJDBGDFS-WQRHYEAKSA-N	-2	3	506.005	5.046	50	10		KKCAHL
O=C([O-])c1cc(-c2ccc(C=C3SC(=S)N([N-]C(=O)NC4CCCCC4)C3=O)o2)ccc1Cl	ZINC000111848626	571433579	/nfs/dbraw/zinc/43/35/79/571433579.db2.gz	TUQSNDRJDBGDFS-WQRHYEAKSA-N	-2	3	506.005	5.046	50	10		KKCAHL
O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000137910229	571450918	/nfs/dbraw/zinc/45/09/18/571450918.db2.gz	HLDCJIGZVGRJGB-JBRSBNLGSA-N	-2	3	505.357	5.903	50	10		KKCAHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1	ZINC000000828924	551545775	/nfs/dbraw/zinc/54/57/75/551545775.db2.gz	XNUCDMDHVWJDIP-UHFFFAOYSA-N	-2	3	507.420	5.748	50	10		KKCAHL
COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2[O-])c2ccccc2C(F)(F)F)c1[O-]	ZINC000012372142	553360615	/nfs/dbraw/zinc/36/06/15/553360615.db2.gz	HXEMWASJMNQBTO-UHFFFAOYSA-N	-2	3	500.516	5.610	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000012447761	553366804	/nfs/dbraw/zinc/36/68/04/553366804.db2.gz	HMTBNJNBWGIYML-RPCRKUJJSA-N	-2	3	504.594	5.740	50	10		KKCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)cc2)cc1	ZINC000033354234	553929000	/nfs/dbraw/zinc/92/90/00/553929000.db2.gz	WBJLLEFIVRCZOU-CDSIFPFTSA-N	-2	3	653.595	8.582	50	10		KKCAHL
O=S(=O)([N-]c1ccc([O-])c(Sc2nc3ccccc3s2)c1)c1ccc(Br)c2ccccc21	ZINC000098045669	554133212	/nfs/dbraw/zinc/13/32/12/554133212.db2.gz	OFBADCXKYILITL-UHFFFAOYSA-N	-2	3	543.489	6.870	50	10		KKCAHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1[O-]	ZINC000038169133	554273890	/nfs/dbraw/zinc/27/38/90/554273890.db2.gz	WUOONKIYORZYRB-WZUFQYTHSA-N	-2	3	500.132	5.367	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)cc1	ZINC000103872902	571368353	/nfs/dbraw/zinc/36/83/53/571368353.db2.gz	KFEBYXJXGYSAOF-RWRHWQIFSA-N	-2	3	584.705	7.275	50	10		KKCAHL
COC(=O)C[C@H](c1cccc(OC)c1OCCc1ccc(OC)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108447935	571423878	/nfs/dbraw/zinc/42/38/78/571423878.db2.gz	DDXDSBSKVFQCGE-XMMPIXPASA-N	-2	3	612.631	5.911	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccccc1OCCc1ccc(OC)cc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449025	571424472	/nfs/dbraw/zinc/42/44/72/571424472.db2.gz	PYSHFRONZRCDKZ-XMMPIXPASA-N	-2	3	582.605	5.902	50	10	biogenic	KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100040818	1069816978	/nfs/dbraw/zinc/81/69/78/1069816978.db2.gz	WLCRZVDRPJDLCN-UKNVNEPJSA-N	-2	3	567.093	7.011	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c2ccccc2c1[O-]	ZINC000006142948	552544478	/nfs/dbraw/zinc/54/44/78/552544478.db2.gz	CSUAHYLSKRZQCU-QHCPKHFHSA-N	-3	3	586.544	5.232	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c2ccccc2c1O	ZINC000006142948	552544481	/nfs/dbraw/zinc/54/44/81/552544481.db2.gz	CSUAHYLSKRZQCU-QHCPKHFHSA-N	-2	3	586.544	5.232	50	10		KKCAHL
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O	ZINC000008440273	553036949	/nfs/dbraw/zinc/03/69/49/553036949.db2.gz	BYEPXFRHFNGSFT-JCMHNJIXSA-N	-2	3	511.003	5.176	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000095481268	553701835	/nfs/dbraw/zinc/70/18/35/553701835.db2.gz	HMTBNJNBWGIYML-MFYXSQMNSA-N	-2	3	504.594	5.740	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100041006	554192107	/nfs/dbraw/zinc/19/21/07/554192107.db2.gz	JUQOCXYFWBNACJ-KYGWZODQSA-N	-3	3	548.647	6.063	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1	ZINC000100041006	554192110	/nfs/dbraw/zinc/19/21/10/554192110.db2.gz	JUQOCXYFWBNACJ-KYGWZODQSA-N	-2	3	548.647	6.063	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000100041065	554192163	/nfs/dbraw/zinc/19/21/63/554192163.db2.gz	FDHULDKYQKRREM-OZEVPFDHSA-N	-2	3	579.875	7.084	50	10		KKCAHL
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c([O-])c(Br)c2[O-])N3)C1	ZINC000102088517	554876976	/nfs/dbraw/zinc/87/69/76/554876976.db2.gz	KSGJPHCSDGFVTG-NIVTXAMTSA-N	-2	3	544.309	6.654	50	10		KKCAHL
COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448463	571424253	/nfs/dbraw/zinc/42/42/53/571424253.db2.gz	KSRNRYFDTQTVSN-GOSISDBHSA-N	-3	3	542.496	5.230	50	10	biogenic	KKCAHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12)c1ccc2ccccc2c1	ZINC000109952054	571430338	/nfs/dbraw/zinc/43/03/38/571430338.db2.gz	QFZCFVICNZSHQJ-UHFFFAOYSA-N	-2	3	538.650	6.748	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)cc2)cc1	ZINC000150635630	571524332	/nfs/dbraw/zinc/52/43/32/571524332.db2.gz	PLUGFVXVQITWCK-QXLZFTBOSA-N	-2	3	653.595	8.582	50	10		KKCAHL
CCOC(=O)[C@@H](C(C)=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000006266919	552575460	/nfs/dbraw/zinc/57/54/60/552575460.db2.gz	YFFGETRTCCAJLJ-NDEPHWFRSA-N	-2	3	594.711	5.294	50	10		KKCAHL
CCCCCC1CCC(c2ccc(C(=O)Nc3ccc([O-])c4c3C(=O)c3c(NC(=O)c5ccc(CCCC)cc5)ccc([O-])c3C4=O)cc2)CC1	ZINC000029493261	553846254	/nfs/dbraw/zinc/84/62/54/553846254.db2.gz	LMXBRTSKBKBSSM-UHFFFAOYSA-N	-2	3	686.849	9.575	50	10		KKCAHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1[O-]	ZINC000097962645	553884915	/nfs/dbraw/zinc/88/49/15/553884915.db2.gz	OHODYMVJRHINFL-NTUHNPAUSA-N	-2	3	540.233	5.296	50	10		KKCAHL
O=S(=O)([N-]c1ccc([O-])c(C2=C(N3CCOCC3)/C(=C\c3ccc(Br)cc3)CC2)c1)c1ccccc1	ZINC000097983367	554008765	/nfs/dbraw/zinc/00/87/65/554008765.db2.gz	PSIZZZQDUCZNOI-UZYVYHOESA-N	-2	3	567.505	5.876	50	10		KKCAHL
COC(=O)c1c(C)sc(C(c2cc(Br)cs2)c2sc(C)c(C(=O)OC)c2[O-])c1[O-]	ZINC000098007344	554063544	/nfs/dbraw/zinc/06/35/44/554063544.db2.gz	HVJCMIHRPXKCFS-UHFFFAOYSA-N	-2	3	517.444	5.415	50	10		KKCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000100148902	554230994	/nfs/dbraw/zinc/23/09/94/554230994.db2.gz	BWOWWNUNCWWQPW-HMAPJEAMSA-N	-2	3	545.846	5.622	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O	ZINC000101150141	554657074	/nfs/dbraw/zinc/65/70/74/554657074.db2.gz	PIWKPWZRFNQODK-DFEHQXHXSA-N	-2	3	545.430	6.430	50	10		KKCAHL
COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448454	571424154	/nfs/dbraw/zinc/42/41/54/571424154.db2.gz	OMTYAVMNZCQKEU-IBGZPJMESA-N	-2	3	556.523	5.318	50	10	biogenic	KKCAHL
COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c([O-])c(-c6ccc(O)c(O)c6)oc-5c43)cc2OC)cc1	ZINC000108449172	571424764	/nfs/dbraw/zinc/42/47/64/571424764.db2.gz	NOAJETMPTNPIFW-NRFANRHFSA-N	-2	3	612.587	5.362	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108449936	571424989	/nfs/dbraw/zinc/42/49/89/571424989.db2.gz	OPLHFYPOJLOROJ-XMMPIXPASA-N	-2	3	594.616	5.828	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1cc2cc3ccccc3cc2[nH]c1=O)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108451528	571425794	/nfs/dbraw/zinc/42/57/94/571425794.db2.gz	HADQVKZVHDIADJ-FQEVSTJZSA-N	-2	3	549.535	5.267	50	10	biogenic	KKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nnc(-c4ccccc4)c(-c4ccccc4)n3)c([O-])c3ccccc23)cc1	ZINC000002878992	552208249	/nfs/dbraw/zinc/20/82/49/552208249.db2.gz	VJHAPDPWILUBIQ-UHFFFAOYSA-N	-2	3	576.703	7.325	50	10		KKCAHL
CCOc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)cc1	ZINC000008871918	553171852	/nfs/dbraw/zinc/17/18/52/553171852.db2.gz	FLXWCLSYBATPRM-UHFFFAOYSA-N	-2	3	508.646	6.506	50	10		KKCAHL
O=S(=O)([N-]c1cc(Sc2nc3ccccc3s2)c([O-])c2ccccc12)c1ccc2ccccc2c1	ZINC000008871917	553171929	/nfs/dbraw/zinc/17/19/29/553171929.db2.gz	ONSLXJVQDWNPQW-UHFFFAOYSA-N	-2	3	514.653	7.260	50	10		KKCAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)cc1	ZINC000008871921	553171940	/nfs/dbraw/zinc/17/19/40/553171940.db2.gz	FJUHBJSLPALLAR-UHFFFAOYSA-N	-2	3	520.701	7.405	50	10		KKCAHL
CCOC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OCC)c2[O-])c2ccc(O)c(OC)c2)c1[O-]	ZINC000012413786	553364711	/nfs/dbraw/zinc/36/47/11/553364711.db2.gz	PFDDTSYHOAQXRT-UHFFFAOYSA-N	-2	3	506.598	5.085	50	10		KKCAHL
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000013804329	553491520	/nfs/dbraw/zinc/49/15/20/553491520.db2.gz	HLDCJIGZVGRJGB-GIFXNVAJSA-N	-2	3	505.357	5.903	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000015134079	553528206	/nfs/dbraw/zinc/52/82/06/553528206.db2.gz	HMTBNJNBWGIYML-WTHRLWDASA-N	-2	3	504.594	5.740	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000015930502	553542429	/nfs/dbraw/zinc/54/24/29/553542429.db2.gz	SLKLYWNMTSCPMF-YXHOTNNGSA-N	-2	3	512.520	5.402	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccccc3C)c2=O)c1	ZINC000095470884	553701357	/nfs/dbraw/zinc/70/13/57/553701357.db2.gz	XKZOFPHXEWXVTQ-WPHIWBHXSA-N	-3	3	520.593	5.446	50	10		KKCAHL
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccccc3C)c2=O)c1	ZINC000095470884	553701360	/nfs/dbraw/zinc/70/13/60/553701360.db2.gz	XKZOFPHXEWXVTQ-WPHIWBHXSA-N	-2	3	520.593	5.446	50	10		KKCAHL
COC(=O)C[C@H](c1cccc(OC)c1OC(C)C)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000096222062	553730992	/nfs/dbraw/zinc/73/09/92/553730992.db2.gz	APKTVAXJXJTEFF-GOSISDBHSA-N	-2	3	520.534	5.068	50	10	biogenic	KKCAHL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Cl)cc(Br)c1[O-]	ZINC000097968000	553926075	/nfs/dbraw/zinc/92/60/75/553926075.db2.gz	IQBCBPOXIHSKBC-LFYBBSHMSA-N	-2	3	516.598	5.242	50	10		KKCAHL
CCOC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OCC)c2[O-])c2ccc(C(F)(F)F)cc2)c1[O-]	ZINC000098008172	554066611	/nfs/dbraw/zinc/06/66/11/554066611.db2.gz	JBILIKNTMULOFV-UHFFFAOYSA-N	-2	3	528.570	6.390	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O	ZINC000100041131	554192296	/nfs/dbraw/zinc/19/22/96/554192296.db2.gz	DPSXIFOHJLSACJ-HJVIKEODSA-N	-2	3	532.648	6.357	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc2c1[O-]	ZINC000100739182	554462145	/nfs/dbraw/zinc/46/21/45/554462145.db2.gz	QISAGQRSEGILEA-QFIPXVFZSA-N	-3	3	537.556	5.636	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc2c1O	ZINC000100739182	554462148	/nfs/dbraw/zinc/46/21/48/554462148.db2.gz	QISAGQRSEGILEA-QFIPXVFZSA-N	-2	3	537.556	5.636	50	10		KKCAHL
COC(=O)C[C@@H](c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108447834	571423875	/nfs/dbraw/zinc/42/38/75/571423875.db2.gz	QJMYSYARRDTJSK-DEOSSOPVSA-N	-2	3	624.642	5.837	50	10	biogenic	KKCAHL
COC(=O)C[C@H](c1cccc(OC)c1OCCc1ccccc1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108448720	571424403	/nfs/dbraw/zinc/42/44/03/571424403.db2.gz	HAHCOVJCZSVKSS-HSZRJFAPSA-N	-2	3	582.605	5.902	50	10	biogenic	KKCAHL
COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c([O-])c(-c6ccc(O)c(O)c6)oc-5c43)cc2OC)cc1	ZINC000108449174	571424744	/nfs/dbraw/zinc/42/47/44/571424744.db2.gz	NOAJETMPTNPIFW-OAQYLSRUSA-N	-2	3	612.587	5.362	50	10	biogenic	KKCAHL
COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c([O-])c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000108451534	571425814	/nfs/dbraw/zinc/42/58/14/571425814.db2.gz	IBIZKNUAUUSVCQ-NRFANRHFSA-N	-2	3	612.587	5.362	50	10	biogenic	KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Sc2ccc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)cc2)cc1	ZINC000150635636	571524308	/nfs/dbraw/zinc/52/43/08/571524308.db2.gz	PLUGFVXVQITWCK-GKTLAHRSSA-N	-2	3	653.595	8.582	50	10		KKCAHL
COc1cc(-c2ccc(NN=C3C(=O)c4c([O-])cc(S(=O)(=O)[O-])cc4C=C3S(=O)(=O)[O-])cc2)ccc1NN=C1C(=O)c2c([O-])cc(S(=O)(=O)[O-])cc2C=C1S(=O)(=O)[O-]	ZINC000169716132	571559233	/nfs/dbraw/zinc/55/92/33/571559233.db2.gz	UOZNTABONQLAPW-VHJMTFITSA-N	-6	3	876.834	6.309	50	10		KKCAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1	ZINC000001200064	551623358	/nfs/dbraw/zinc/62/33/58/551623358.db2.gz	GVQLOWNGYDYVQC-UHFFFAOYSA-N	-2	3	526.636	5.239	50	10		KKCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000016694237	553573883	/nfs/dbraw/zinc/57/38/83/553573883.db2.gz	URXGSABCTBZLLV-HMAPJEAMSA-N	-2	3	501.395	5.513	50	10		KKCAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2)cc1	ZINC000095471573	553701432	/nfs/dbraw/zinc/70/14/32/553701432.db2.gz	DVNREPUMLSNZLI-ONUIUJJFSA-N	-2	3	504.612	5.221	50	10		KKCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)c1	ZINC000097972350	553966900	/nfs/dbraw/zinc/96/69/00/553966900.db2.gz	UCZQPPYTYICFHG-YXHOTNNGSA-N	-2	3	545.430	6.430	50	10		KKCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c1	ZINC000100040903	554192241	/nfs/dbraw/zinc/19/22/41/554192241.db2.gz	AOYBTCLHWXRMGG-XUIWWLCJSA-N	-2	3	504.594	5.740	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148784	554230915	/nfs/dbraw/zinc/23/09/15/554230915.db2.gz	UTZQTXAHXSALFA-PMICNGQHSA-N	-3	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148784	554230917	/nfs/dbraw/zinc/23/09/17/554230917.db2.gz	UTZQTXAHXSALFA-PMICNGQHSA-N	-2	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([O-])c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148780	554230924	/nfs/dbraw/zinc/23/09/24/554230924.db2.gz	UTZQTXAHXSALFA-KZSQTELISA-N	-3	3	528.519	5.107	50	10		KKCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(O)c(N=Cc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1	ZINC000100148780	554230926	/nfs/dbraw/zinc/23/09/26/554230926.db2.gz	UTZQTXAHXSALFA-KZSQTELISA-N	-2	3	528.519	5.107	50	10		KKCAHL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1[O-]	ZINC000038185439	554274117	/nfs/dbraw/zinc/27/41/17/554274117.db2.gz	RQZDRTVZZYZJCP-WMZJFQQLSA-N	-2	3	502.173	5.142	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc2c1[O-]	ZINC000100739184	554462179	/nfs/dbraw/zinc/46/21/79/554462179.db2.gz	QISAGQRSEGILEA-JOCHJYFZSA-N	-3	3	537.556	5.636	50	10		KKCAHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc2c1O	ZINC000100739184	554462182	/nfs/dbraw/zinc/46/21/82/554462182.db2.gz	QISAGQRSEGILEA-JOCHJYFZSA-N	-2	3	537.556	5.636	50	10		KKCAHL
COC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108450663	571425257	/nfs/dbraw/zinc/42/52/57/571425257.db2.gz	KGMZHSSDEBMPHL-XMMPIXPASA-N	-2	3	624.642	5.837	50	10	biogenic	KKCAHL
COC(=O)C[C@@H](c1ccc(OCC(C)C)c(OC)c1)c1c(=O)c(O)c([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000108451061	571425495	/nfs/dbraw/zinc/42/54/95/571425495.db2.gz	YBZUIXSTXIPNBJ-IBGZPJMESA-N	-2	3	534.561	5.315	50	10	biogenic	KKCAHL