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)Nc2cccc(C)c2)cc1	ZINC000000809003	551543704	/nfs/dbraw/zinc/54/37/04/551543704.db2.gz	GQEAHPHHXYVRJG-HZHRSRAPSA-N	-1	1	525.428	5.277	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCCOc1cc(C)ccc1C(C)C	ZINC000001864666	551717738	/nfs/dbraw/zinc/71/77/38/551717738.db2.gz	XDEPVAOETWTVQQ-UDWIEESQSA-N	-1	1	569.486	6.090	50	10		KKCAMM
O=C(CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccccc1)c1ccc([O-])c(O)c1	ZINC000003043345	552274684	/nfs/dbraw/zinc/27/46/84/552274684.db2.gz	OYJVOMPDMMHGDK-UHFFFAOYSA-N	-1	1	523.617	5.006	50	10		KKCAMM
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1[N+](=O)[O-]	ZINC000006142799	552544314	/nfs/dbraw/zinc/54/43/14/552544314.db2.gz	VEHSTCDTCDBZBS-UHFFFAOYSA-N	-1	1	539.616	6.024	50	10		KKCAMM
Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000008744562	553134137	/nfs/dbraw/zinc/13/41/37/553134137.db2.gz	POCHQNFMLVVXIY-UHFFFAOYSA-N	-1	1	510.413	5.190	50	10		KKCAMM
Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000008744562	553134139	/nfs/dbraw/zinc/13/41/39/553134139.db2.gz	POCHQNFMLVVXIY-UHFFFAOYSA-N	-1	1	510.413	5.190	50	10		KKCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000008744562	553134141	/nfs/dbraw/zinc/13/41/41/553134141.db2.gz	POCHQNFMLVVXIY-UHFFFAOYSA-N	-1	1	510.413	5.190	50	10		KKCAMM
COc1cc(C=O)ccc1OCc1ccc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1	ZINC000009296549	553235812	/nfs/dbraw/zinc/23/58/12/553235812.db2.gz	UOHBZAZOGNKXJS-DHRITJCHSA-N	-1	1	521.616	5.163	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000096221527	553730717	/nfs/dbraw/zinc/73/07/17/553730717.db2.gz	JYRXBRKGUJGYPK-GFCCVEGCSA-N	-1	1	501.274	5.030	50	10	biogenic	KKCAMM
CCc1ccc(N2C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)NC2=S)cc1	ZINC000097960868	553874001	/nfs/dbraw/zinc/87/40/01/553874001.db2.gz	HRRLHZQPGNQJLF-JAIQZWGSSA-N	-1	1	555.439	6.505	50	10		KKCAMM
CC(C)c1ccc(COc2ccccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000097972040	553965423	/nfs/dbraw/zinc/96/54/23/553965423.db2.gz	IOTXKPBEVUCBFN-HSZRJFAPSA-N	-1	1	564.590	6.720	50	10	biogenic	KKCAMM
COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000097972090	553966070	/nfs/dbraw/zinc/96/60/70/553966070.db2.gz	VRLHVIVWHPGRFY-QFIPXVFZSA-N	-1	1	596.588	5.657	50	10	biogenic	KKCAMM
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[N-]c1ccc(-c2ccc(NS(=O)(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc2)cc1	ZINC000097985263	554022147	/nfs/dbraw/zinc/02/21/47/554022147.db2.gz	VNEZTZCARNSPCO-UHFFFAOYSA-N	-1	1	724.772	6.506	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCCOc1cc(C)ccc1C(C)C	ZINC000100269636	554268481	/nfs/dbraw/zinc/26/84/81/554268481.db2.gz	XDEPVAOETWTVQQ-NDENLUEZSA-N	-1	1	569.486	5.678	50	10		KKCAMM
C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(I)c2[O-])N3)C1	ZINC000101897057	554847179	/nfs/dbraw/zinc/84/71/79/554847179.db2.gz	VUTCNCGEGZKXFZ-ZIDLFYJRSA-N	-1	1	566.202	5.217	50	10		KKCAMM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(I)c2[O-])N3)C1	ZINC000102089240	554877260	/nfs/dbraw/zinc/87/72/60/554877260.db2.gz	DEUWUEUQPDGAIZ-MGNBDDOMSA-N	-1	1	575.310	6.791	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000104169250	571375918	/nfs/dbraw/zinc/37/59/18/571375918.db2.gz	RBNNCUPYEPLFCE-ZEQKJWHPSA-N	-1	1	540.244	7.857	50	10		KKCAMM
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	571423725	/nfs/dbraw/zinc/42/37/25/571423725.db2.gz	RNTHWKDVGSXQJI-GOSISDBHSA-N	-1	1	542.496	5.230	50	10	biogenic	KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccccc1OCCc1ccccc1)CC(=O)O2	ZINC000108449076	571424498	/nfs/dbraw/zinc/42/44/98/571424498.db2.gz	KIRMHYWZANMALI-FQEVSTJZSA-N	-1	1	552.535	5.345	50	10	biogenic	KKCAMM
CC(C)(C)c1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc(C(C)(C)C)c1O	ZINC000108450535	571425366	/nfs/dbraw/zinc/42/53/66/571425366.db2.gz	SLUFWZNJHDLUDB-MRXNPFEDSA-N	-1	1	560.599	6.024	50	10	biogenic	KKCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000108451300	571425627	/nfs/dbraw/zinc/42/56/27/571425627.db2.gz	XLRHKPTXMXNAGC-NRFANRHFSA-N	-1	1	624.598	5.288	50	10	biogenic	KKCAMM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(O)c([O-])c(Br)c2Br)c(=O)n(-c2ccccc2)n1C	ZINC000150360209	571463759	/nfs/dbraw/zinc/46/37/59/571463759.db2.gz	SHKWUNWKXWYREK-UHFFFAOYSA-N	-1	1	654.359	5.399	50	10		KKCAMM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1	ZINC000150381573	571467074	/nfs/dbraw/zinc/46/70/74/571467074.db2.gz	GMRHQJDLUYXJRT-YBFXNURJSA-N	-1	1	616.287	5.320	50	10		KKCAMM
COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c([N-]S(=O)(=O)c4ccc(Br)cc4)c3)CC2)cc1	ZINC000150412594	571484362	/nfs/dbraw/zinc/48/43/62/571484362.db2.gz	QALXKHDVESPPKC-RSXGOPAZSA-N	-1	1	718.674	5.006	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Br)ccc2[O-])cc1	ZINC000248252525	572257297	/nfs/dbraw/zinc/25/72/97/572257297.db2.gz	QMCKHKLFKLWQPV-OFNKIYASSA-N	-1	1	520.210	6.712	50	10		KKCAMM
COC(=O)Cc1c(-c2ccc(OC)c(OC)c2)oc2c1c1oc(-c3ccccc3)cc([O-])c-1c(=O)c2O	ZINC000604404924	1071271287	/nfs/dbraw/zinc/27/12/87/1071271287.db2.gz	MAJSXAYRVKKFJI-UHFFFAOYSA-N	-1	1	502.475	5.017	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccc(OCCc3ccc4c(c3)CCO4)cc1)CC(=O)O2	ZINC000217786803	1071292731	/nfs/dbraw/zinc/29/27/31/1071292731.db2.gz	LBMMFSKGSSXHGA-JOCHJYFZSA-N	-1	1	594.572	5.280	50	10	biogenic	KKCAMM
CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000097983978	1072840079	/nfs/dbraw/zinc/84/00/79/1072840079.db2.gz	QVTDIRLIHNBIHW-XHJOFVNMSA-N	-1	1	668.263	7.710	50	10		KKCAMM
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3ccc(O)c(Sc4nc5ccccc5s4)c3)ccc21	ZINC000006142769	552544117	/nfs/dbraw/zinc/54/41/17/552544117.db2.gz	ROUBYEIPEZUFPS-UHFFFAOYSA-N	-1	1	544.635	5.729	50	10		KKCAMM
CC(C)(C)Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[n-]3)c2)c(CC(C)(C)C)c1	ZINC000008397708	552997444	/nfs/dbraw/zinc/99/74/44/552997444.db2.gz	BQMOFRZYZMLMKZ-UHFFFAOYSA-N	-1	1	672.053	8.322	50	10		KKCAMM
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)c(Br)c(Br)c1[O-]	ZINC000008431844	553024244	/nfs/dbraw/zinc/02/42/44/553024244.db2.gz	RTTGBVGQWAHSFU-VGOFMYFVSA-N	-1	1	548.153	6.141	50	10		KKCAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccccc2F)[n-]c1=O	ZINC000008723396	553130131	/nfs/dbraw/zinc/13/01/31/553130131.db2.gz	VHNQPPHXEWQBAK-QNGOZBTKSA-N	-1	1	512.570	5.394	50	10		KKCAMM
Cc1ccc2nc(-c3ccc(N=Cc4c(=O)n(-c5nc6ccccc6s5)[n-]c4-c4ccccc4)cc3)sc2c1	ZINC000008750134	553135233	/nfs/dbraw/zinc/13/52/33/553135233.db2.gz	PTVDCOUIIYOEFV-NKFKGCMQSA-N	-1	1	543.677	7.628	50	10		KKCAMM
COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC	ZINC000022079073	553725706	/nfs/dbraw/zinc/72/57/06/553725706.db2.gz	TUBMCWFINYNDCB-AIAVXMCLSA-N	-1	1	501.629	5.980	50	10		KKCAMM
COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1	ZINC000097944551	553770162	/nfs/dbraw/zinc/77/01/62/553770162.db2.gz	CGMGFLADZMFIHC-VXLYETTFSA-N	-1	1	539.997	5.135	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21	ZINC000025869115	553814556	/nfs/dbraw/zinc/81/45/56/553814556.db2.gz	BYZQZFFMAVDJLT-JXFKEZNVSA-N	-1	1	506.219	6.221	50	10		KKCAMM
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000029492518	553845677	/nfs/dbraw/zinc/84/56/77/553845677.db2.gz	QVTDIRLIHNBIHW-CGFAQTSMSA-N	-1	1	668.263	7.710	50	10		KKCAMM
[O-]c1c(I)cc(I)cc1C1Nc2cccc3cccc(c32)N1	ZINC000033358657	553957334	/nfs/dbraw/zinc/95/73/34/553957334.db2.gz	CENSGFOSSOUSPR-UHFFFAOYSA-N	-1	1	514.104	5.291	50	10		KKCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000097971946	553964204	/nfs/dbraw/zinc/96/42/04/553964204.db2.gz	ABESYBAHLMTJFN-JOCHJYFZSA-N	-1	1	608.599	5.583	50	10	biogenic	KKCAMM
CC(=Nc1ccc(Cl)cc1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000100094991	554215416	/nfs/dbraw/zinc/21/54/16/554215416.db2.gz	KXQYKGMSCUROHY-HZHRSRAPSA-N	-1	1	525.486	7.484	50	10		KKCAMM
CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)NC2=S)cc1	ZINC000100159971	554234460	/nfs/dbraw/zinc/23/44/60/554234460.db2.gz	HRRLHZQPGNQJLF-RGVLZGJSSA-N	-1	1	555.439	5.664	50	10		KKCAMM
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(Br)c(Br)c1[O-]	ZINC000101091695	554582892	/nfs/dbraw/zinc/58/28/92/554582892.db2.gz	KAELIHGBYPXIBY-NTEUORMPSA-N	-1	1	529.275	5.717	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23	ZINC000101149213	554657068	/nfs/dbraw/zinc/65/70/68/554657068.db2.gz	VRYGKKZEVFACFM-VFCFBJKWSA-N	-1	1	605.723	8.078	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21	ZINC000104139337	571374709	/nfs/dbraw/zinc/37/47/09/571374709.db2.gz	WAUXDRMTPJUKAE-SIKLNZKXSA-N	-1	1	534.635	6.813	50	10		KKCAMM
COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000108448361	571424235	/nfs/dbraw/zinc/42/42/35/571424235.db2.gz	STZBCCKTMKALQZ-QFIPXVFZSA-N	-1	1	566.562	5.648	50	10	biogenic	KKCAMM
COc1ccc(CCOc2cccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c2)cc1	ZINC000108450857	571425420	/nfs/dbraw/zinc/42/54/20/571425420.db2.gz	POLDDKJVOSBXRU-JOCHJYFZSA-N	-1	1	582.561	5.354	50	10	biogenic	KKCAMM
COc1ccc(N2CCN(C(=O)c3ccc(NCCc4ccc(OC)c(OC)c4)c(S(=O)(=O)[N-]c4cccc(OC)c4)c3)CC2)cc1	ZINC000150397133	571476825	/nfs/dbraw/zinc/47/68/25/571476825.db2.gz	FIQXKZYKAJYHDQ-UHFFFAOYSA-N	-1	1	660.793	5.139	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000248133283	572254767	/nfs/dbraw/zinc/25/47/67/572254767.db2.gz	LRVFUUCGUNDMII-CYFREDJKSA-N	-1	1	560.242	6.177	50	10		KKCAMM
CN(C)c1cccc2c([C@@H]([N-]S(=O)(=O)c3ccc(Cl)cc3)C(Cl)(Cl)Cl)ccc(N(C)C)c21	ZINC000002058471	551740687	/nfs/dbraw/zinc/74/06/87/551740687.db2.gz	HKYMMZCXSJOGMF-OAQYLSRUSA-N	-1	1	535.324	6.015	50	10		KKCAMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000002805993	552195698	/nfs/dbraw/zinc/19/56/98/552195698.db2.gz	STAVGTNYBDZTRS-VXLYETTFSA-N	-1	1	558.841	5.040	50	10		KKCAMM
CN(C)c1cccc2c([C@@H]([N-]S(=O)(=O)c3ccccc3)C(Cl)(Cl)Cl)ccc(N(C)C)c21	ZINC000002896982	552212326	/nfs/dbraw/zinc/21/23/26/552212326.db2.gz	DSQFHNSHJHQCOV-OAQYLSRUSA-N	-1	1	500.879	5.362	50	10		KKCAMM
COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc(C(C)C)c2[O-])cc1	ZINC000003620743	552393494	/nfs/dbraw/zinc/39/34/94/552393494.db2.gz	KSTGXHRTRYQNAK-UHFFFAOYSA-N	-1	1	510.033	5.120	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1cc(C)ccc1C(C)C	ZINC000008984898	553196462	/nfs/dbraw/zinc/19/64/62/553196462.db2.gz	YWSZJSYNWLLRDV-NDENLUEZSA-N	-1	1	522.486	5.836	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1c(C)cccc1C	ZINC000009553967	553278737	/nfs/dbraw/zinc/27/87/37/553278737.db2.gz	NNUONIOVAFJJJC-LDADJPATSA-N	-1	1	508.459	5.411	50	10		KKCAMM
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000020417678	553647692	/nfs/dbraw/zinc/64/76/92/553647692.db2.gz	UKGCIIPCEOXMPX-JAIQZWGSSA-N	-1	1	507.999	5.734	50	10		KKCAMM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl	ZINC000084688816	553678046	/nfs/dbraw/zinc/67/80/46/553678046.db2.gz	YAMRNIPNQLBZFA-YBEGLDIGSA-N	-1	1	531.771	5.732	50	10		KKCAMM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000095471458	553701397	/nfs/dbraw/zinc/70/13/97/553701397.db2.gz	JQORBDNHQARLDY-UQQQWYQISA-N	-1	1	517.010	6.013	50	10		KKCAMM
CN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21	ZINC000095670565	553707055	/nfs/dbraw/zinc/70/70/55/553707055.db2.gz	GALWGXXDZJDEHQ-UHFFFAOYSA-N	-1	1	534.328	6.704	50	10		KKCAMM
COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC	ZINC000022079070	553725700	/nfs/dbraw/zinc/72/57/00/553725700.db2.gz	TUBMCWFINYNDCB-JCHYSQADSA-N	-1	1	501.629	5.980	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025577227	553810894	/nfs/dbraw/zinc/81/08/94/553810894.db2.gz	RSTZNEDDIWXIKK-BVAGGSTKSA-N	-1	1	505.799	7.204	50	10		KKCAMM
[O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025576994	553810929	/nfs/dbraw/zinc/81/09/29/553810929.db2.gz	UBLCMNDKWHWZGA-ZEQKJWHPSA-N	-1	1	505.799	7.204	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1ccccc1OCCc1ccccc1)CC(=O)O2	ZINC000097971868	553963696	/nfs/dbraw/zinc/96/36/96/553963696.db2.gz	LIWGSLKTKCARAY-OAQYLSRUSA-N	-1	1	536.536	5.639	50	10	biogenic	KKCAMM
CC(C)c1ccc(COc2ccccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000097972039	553965329	/nfs/dbraw/zinc/96/53/29/553965329.db2.gz	IOTXKPBEVUCBFN-QHCPKHFHSA-N	-1	1	564.590	6.720	50	10	biogenic	KKCAMM
O=C1[N-]C(=S)S/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	ZINC000100055383	554196220	/nfs/dbraw/zinc/19/62/20/554196220.db2.gz	HEZULKXHAHZRSM-KQWNVCNZSA-N	-1	1	517.473	7.063	50	10		KKCAMM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000100235808	554258300	/nfs/dbraw/zinc/25/83/00/554258300.db2.gz	HJMCLJICFDZMLM-LPYMAVHISA-N	-1	1	579.472	5.681	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000101128301	554646333	/nfs/dbraw/zinc/64/63/33/554646333.db2.gz	KITYCEFPRPAOIQ-HYARGMPZSA-N	-1	1	559.873	5.930	50	10		KKCAMM
CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc([O-])c(O)cc23)/C(=C\c2ccc3c(c2)OCO3)C1	ZINC000103079322	555257929	/nfs/dbraw/zinc/25/79/29/555257929.db2.gz	UWVGAGGHBUNQKK-HSELDNCXSA-N	-1	1	605.643	6.987	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2	ZINC000108449958	571424984	/nfs/dbraw/zinc/42/49/84/571424984.db2.gz	AVQVTLYSNYITLX-OAQYLSRUSA-N	-1	1	594.572	5.280	50	10	biogenic	KKCAMM
COC(=O)Cc1c(-c2ccc(C)cc2C)oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000604404691	1071270611	/nfs/dbraw/zinc/27/06/11/1071270611.db2.gz	JDURLIJYQJMBOO-UHFFFAOYSA-N	-1	1	502.475	5.028	50	10		KKCAMM
COC(=O)Cc1c(-c2ccc(Br)cc2)oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000604404817	1071271139	/nfs/dbraw/zinc/27/11/39/1071271139.db2.gz	GRTYAPBXLWVCON-UHFFFAOYSA-N	-1	1	553.317	5.174	50	10		KKCAMM
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)cc4C)c3=O)cc2)cc1	ZINC000000809212	551543691	/nfs/dbraw/zinc/54/36/91/551543691.db2.gz	LFWXRJWOZBWRMK-KOEQRZSOSA-N	-1	1	504.612	5.221	50	10		KKCAMM
CN(C)c1cccc2c([C@H]([N-]S(=O)(=O)c3ccc(Cl)cc3)C(Cl)(Cl)Cl)ccc(N(C)C)c21	ZINC000002058470	551740678	/nfs/dbraw/zinc/74/06/78/551740678.db2.gz	HKYMMZCXSJOGMF-NRFANRHFSA-N	-1	1	535.324	6.015	50	10		KKCAMM
Cc1cc(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)n1-c1ccc(C)c(C)c1	ZINC000002617395	552137294	/nfs/dbraw/zinc/13/72/94/552137294.db2.gz	UUBSRFFHBJIVNW-UHFFFAOYSA-N	-1	1	544.673	6.168	50	10		KKCAMM
Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)n1-c1ccc(Cl)cc1	ZINC000006144748	552547273	/nfs/dbraw/zinc/54/72/73/552547273.db2.gz	NFJKTLNRUORUFJ-NRFANRHFSA-N	-1	1	551.064	6.285	50	10		KKCAMM
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)n1-c1ccc(Cl)cc1	ZINC000006144782	552547297	/nfs/dbraw/zinc/54/72/97/552547297.db2.gz	ZKYAQQFIIVVJKJ-HXUWFJFHSA-N	-1	1	595.073	5.748	50	10		KKCAMM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br	ZINC000008437852	553032209	/nfs/dbraw/zinc/03/22/09/553032209.db2.gz	WXJNWSARURZBQW-HAHDFKILSA-N	-1	1	597.395	8.015	50	10		KKCAMM
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1	ZINC000008744302	553134208	/nfs/dbraw/zinc/13/42/08/553134208.db2.gz	MVCKGRQDLJSBCU-UHFFFAOYSA-N	-1	1	507.571	5.353	50	10		KKCAMM
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1	ZINC000008744302	553134210	/nfs/dbraw/zinc/13/42/10/553134210.db2.gz	MVCKGRQDLJSBCU-UHFFFAOYSA-N	-1	1	507.571	5.353	50	10		KKCAMM
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=S)NC3=O)c2-c2ccccc2)cc1	ZINC000008744302	553134211	/nfs/dbraw/zinc/13/42/11/553134211.db2.gz	MVCKGRQDLJSBCU-UHFFFAOYSA-N	-1	1	507.571	5.353	50	10		KKCAMM
CC(=Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000008749743	553135248	/nfs/dbraw/zinc/13/52/48/553135248.db2.gz	NUFQOQRFMHCBKK-UCQKPKSFSA-N	-1	1	593.483	8.503	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000009035536	553202096	/nfs/dbraw/zinc/20/20/96/553202096.db2.gz	OIGHBIWWOOXXGQ-SIKLNZKXSA-N	-1	1	500.190	6.160	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1	ZINC000009296551	553235835	/nfs/dbraw/zinc/23/58/35/553235835.db2.gz	SIPKTDCVQBOGEY-CPNJWEJPSA-N	-1	1	522.486	5.702	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1cccc2ccccc21	ZINC000015746023	553536077	/nfs/dbraw/zinc/53/60/77/553536077.db2.gz	UFUPCXIFCXCVHA-NDENLUEZSA-N	-1	1	500.439	6.069	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1O	ZINC000016292697	553559253	/nfs/dbraw/zinc/55/92/53/553559253.db2.gz	PKGCHEPSVUZENS-ZZZAPRPPSA-N	-1	1	520.593	5.446	50	10		KKCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCC(C)C	ZINC000096114269	553724957	/nfs/dbraw/zinc/72/49/57/553724957.db2.gz	IYEIYIFAPQWLCP-KRWDZBQOSA-N	-1	1	518.518	5.061	50	10	biogenic	KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000096221525	553730544	/nfs/dbraw/zinc/73/05/44/553730544.db2.gz	JYRXBRKGUJGYPK-LBPRGKRZSA-N	-1	1	501.274	5.030	50	10	biogenic	KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21	ZINC000025869120	553814325	/nfs/dbraw/zinc/81/43/25/553814325.db2.gz	BYZQZFFMAVDJLT-OXJNMPFZSA-N	-1	1	506.219	6.221	50	10		KKCAMM
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000097971218	553961592	/nfs/dbraw/zinc/96/15/92/553961592.db2.gz	QVTDIRLIHNBIHW-RIZLRKHKSA-N	-1	1	668.263	7.710	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2	ZINC000097972015	553964925	/nfs/dbraw/zinc/96/49/25/553964925.db2.gz	WMDPLOVVUAEOTM-JOCHJYFZSA-N	-1	1	578.573	5.574	50	10	biogenic	KKCAMM
COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCCc1ccccc1	ZINC000097972097	553966009	/nfs/dbraw/zinc/96/60/09/553966009.db2.gz	GEKYQPFKUJTVFM-OAQYLSRUSA-N	-1	1	566.562	5.648	50	10	biogenic	KKCAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccccc2F)[n-]c1=O	ZINC000100148585	554231006	/nfs/dbraw/zinc/23/10/06/554231006.db2.gz	VHNQPPHXEWQBAK-RCCKNPSSSA-N	-1	1	512.570	5.394	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000101123760	554644110	/nfs/dbraw/zinc/64/41/10/554644110.db2.gz	IESGWERIZSQOMO-PPOKSSTKSA-N	-1	1	588.796	7.572	50	10		KKCAMM
COc1ccc(N2CCN(C(=O)c3ccc(NCc4ccccc4OC)c(S(=O)(=O)[N-]c4cccc(OC)c4)c3)CC2)cc1	ZINC000102729437	555023321	/nfs/dbraw/zinc/02/33/21/555023321.db2.gz	UJSZJMTWCJRECK-UHFFFAOYSA-N	-1	1	616.740	5.088	50	10		KKCAMM
O=C(CSc1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])c(O)cc12)Nc1cc(Cl)cc(Cl)c1	ZINC000103128306	555296294	/nfs/dbraw/zinc/29/62/94/555296294.db2.gz	QKYLIYVSRYQQCK-UHFFFAOYSA-N	-1	1	546.384	5.599	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000104169242	571375928	/nfs/dbraw/zinc/37/59/28/571375928.db2.gz	RBNNCUPYEPLFCE-JYFHCDHNSA-N	-1	1	540.244	7.857	50	10		KKCAMM
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	571423800	/nfs/dbraw/zinc/42/38/00/571423800.db2.gz	RNTHWKDVGSXQJI-SFHVURJKSA-N	-1	1	542.496	5.230	50	10	biogenic	KKCAMM
COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1	ZINC000108448395	571424222	/nfs/dbraw/zinc/42/42/22/571424222.db2.gz	UEKYBLGEGGFLEF-HSZRJFAPSA-N	-1	1	550.563	5.942	50	10	biogenic	KKCAMM
COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000108448465	571424273	/nfs/dbraw/zinc/42/42/73/571424273.db2.gz	KSRNRYFDTQTVSN-SFHVURJKSA-N	-1	1	542.496	5.230	50	10	biogenic	KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2	ZINC000108449956	571425025	/nfs/dbraw/zinc/42/50/25/571425025.db2.gz	AVQVTLYSNYITLX-NRFANRHFSA-N	-1	1	594.572	5.280	50	10	biogenic	KKCAMM
COc1ccc(CCOc2cccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c2)cc1	ZINC000108450853	571425488	/nfs/dbraw/zinc/42/54/88/571425488.db2.gz	POLDDKJVOSBXRU-QFIPXVFZSA-N	-1	1	582.561	5.354	50	10	biogenic	KKCAMM
COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000217602139	571601735	/nfs/dbraw/zinc/60/17/35/571601735.db2.gz	HHJWNBIIERKBMK-OAQYLSRUSA-N	-1	1	582.561	5.354	50	10	biogenic	KKCAMM
O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000001882553	1069731359	/nfs/dbraw/zinc/73/13/59/1069731359.db2.gz	VBWDLZBXJCOFMX-UHFFFAOYSA-N	-1	1	591.751	5.196	50	10		KKCAMM
COC(=O)Cc1c(-c2ccc3ccccc3c2)oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000604404132	1071269253	/nfs/dbraw/zinc/26/92/53/1071269253.db2.gz	KBZWFIRGCWMBNV-UHFFFAOYSA-N	-1	1	524.481	5.564	50	10		KKCAMM
COC(=O)Cc1c(-c2ccc3cc(OC)ccc3c2)oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000604405652	1071272535	/nfs/dbraw/zinc/27/25/35/1071272535.db2.gz	UCAWZOVCQIVRDZ-UHFFFAOYSA-N	-1	1	554.507	5.573	50	10		KKCAMM
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)cc2)cc1	ZINC000001421583	551668612	/nfs/dbraw/zinc/66/86/12/551668612.db2.gz	LMPUWTMQDCNGOQ-LFVJCYFKSA-N	-1	1	511.003	5.258	50	10		KKCAMM
CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc([O-])c(O)c2)sc2c3CCCC2)cc1	ZINC000002396953	552110476	/nfs/dbraw/zinc/11/04/76/552110476.db2.gz	HKSKEEFREXVRRK-UHFFFAOYSA-N	-1	1	508.621	5.111	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000002671378	552152710	/nfs/dbraw/zinc/15/27/10/552152710.db2.gz	GYBLTWPQKRDEHR-UCQKPKSFSA-N	-1	1	504.036	6.261	50	10		KKCAMM
Cn1c(SCC(=O)NCc2cc(C(=O)c3ccccc3)ccc2[O-])nnc1-c1ccc(Cl)cc1Cl	ZINC000002839852	552198485	/nfs/dbraw/zinc/19/84/85/552198485.db2.gz	KTFJZDOTNMALKY-UHFFFAOYSA-N	-1	1	527.433	5.134	50	10		KKCAMM
Cc1ccccc1-n1c2nc(SCC(=O)c3ccc([O-])c(O)c3)n(-c3ccccc3)c(=O)c2sc1=S	ZINC000003043151	552274116	/nfs/dbraw/zinc/27/41/16/552274116.db2.gz	NNBIAQJRLOHMHP-UHFFFAOYSA-N	-1	1	533.656	5.662	50	10		KKCAMM
COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc(Br)c1[O-]	ZINC000003302250	552346711	/nfs/dbraw/zinc/34/67/11/552346711.db2.gz	APQHTTJKFIQOEQ-UHFFFAOYSA-N	-1	1	526.305	5.629	50	10		KKCAMM
Cc1cc(C(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)n1-c1ccc(C)cc1	ZINC000003377028	552376561	/nfs/dbraw/zinc/37/65/61/552376561.db2.gz	CWCABXNXIGCHEF-UHFFFAOYSA-N	-1	1	530.646	5.860	50	10		KKCAMM
O=C1c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc21	ZINC000004517648	552462210	/nfs/dbraw/zinc/46/22/10/552462210.db2.gz	IBWRFYXHBPFPRT-UHFFFAOYSA-N	-1	1	676.364	5.589	50	10		KKCAMM
Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000006152686	552551739	/nfs/dbraw/zinc/55/17/39/552551739.db2.gz	SULXPXFPYGHOHB-NRFANRHFSA-N	-1	1	582.625	6.233	50	10		KKCAMM
CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=S)N(Cc4ccco4)C3=O)c1C)CCCC2	ZINC000097944932	553770322	/nfs/dbraw/zinc/77/03/22/553770322.db2.gz	ZLVMLYPLHSNPKH-MOSHPQCFSA-N	-1	1	537.663	5.471	50	10		KKCAMM
[O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025576988	553810652	/nfs/dbraw/zinc/81/06/52/553810652.db2.gz	UBLCMNDKWHWZGA-BVAGGSTKSA-N	-1	1	505.799	7.204	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1ccccc1OCCc1ccccc1)CC(=O)O2	ZINC000097971867	553963633	/nfs/dbraw/zinc/96/36/33/553963633.db2.gz	LIWGSLKTKCARAY-NRFANRHFSA-N	-1	1	536.536	5.639	50	10	biogenic	KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1ccc(OCCc3ccc4c(c3)CCO4)cc1)CC(=O)O2	ZINC000097972032	553965346	/nfs/dbraw/zinc/96/53/46/553965346.db2.gz	NQIOGLIHERFQSB-HSZRJFAPSA-N	-1	1	578.573	5.574	50	10	biogenic	KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1cccc2ccccc21	ZINC000100228210	554253991	/nfs/dbraw/zinc/25/39/91/554253991.db2.gz	IBVAGMXGZJWMAK-NDENLUEZSA-N	-1	1	547.439	5.911	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCCOc1ccc(C(C)(C)C)cc1	ZINC000100269654	554268903	/nfs/dbraw/zinc/26/89/03/554268903.db2.gz	RIIBIVRAOWMEKS-UYRXBGFRSA-N	-1	1	569.486	5.544	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21	ZINC000100703082	554452478	/nfs/dbraw/zinc/45/24/78/554452478.db2.gz	WAUXDRMTPJUKAE-KNQAVFIVSA-N	-1	1	534.635	6.813	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1	ZINC000100727451	554457764	/nfs/dbraw/zinc/45/77/64/554457764.db2.gz	BAPQQOQUFUHILI-NZQKXSOJSA-N	-1	1	530.216	6.168	50	10		KKCAMM
COc1cc(Br)c(Br)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O	ZINC000102096635	554879458	/nfs/dbraw/zinc/87/94/58/554879458.db2.gz	NRTXPMMMZHNIJA-QGZVFWFLSA-N	-1	1	531.270	5.183	50	10		KKCAMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000103700855	555463960	/nfs/dbraw/zinc/46/39/60/555463960.db2.gz	YWEYATXLFZGAGS-GRSHGNNSSA-N	-1	1	572.868	5.348	50	10		KKCAMM
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	571425798	/nfs/dbraw/zinc/42/57/98/571425798.db2.gz	FFLGINURRIUQFE-GOSISDBHSA-N	-1	1	542.496	5.230	50	10	biogenic	KKCAMM
O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000150391316	571473668	/nfs/dbraw/zinc/47/36/68/571473668.db2.gz	LQGXYXOXHNLXPU-NDENLUEZSA-N	-1	1	619.312	6.139	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000239432911	572195569	/nfs/dbraw/zinc/19/55/69/572195569.db2.gz	WWHNLQSYMLAGRU-CYFREDJKSA-N	-1	1	515.791	6.068	50	10		KKCAMM
O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000832305	551546324	/nfs/dbraw/zinc/54/63/24/551546324.db2.gz	JCVNVGPDVLJQPA-UHFFFAOYSA-N	-1	1	546.754	5.288	50	10		KKCAMM
CN(C)c1cccc2c([C@H]([N-]S(=O)(=O)c3ccccc3)C(Cl)(Cl)Cl)ccc(N(C)C)c21	ZINC000002896981	552212311	/nfs/dbraw/zinc/21/23/11/552212311.db2.gz	DSQFHNSHJHQCOV-NRFANRHFSA-N	-1	1	500.879	5.362	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000004389222	552458519	/nfs/dbraw/zinc/45/85/19/552458519.db2.gz	KITYCEFPRPAOIQ-HMAPJEAMSA-N	-1	1	559.873	5.930	50	10		KKCAMM
Cc1ccc(S(=O)(=O)[N-]c2c3ccccc3c(NS(=O)(=O)c3ccc(C)cc3)cc2[C@H]2CCC(=O)C2)cc1	ZINC000004647593	552470660	/nfs/dbraw/zinc/47/06/60/552470660.db2.gz	YDOSWXQZRWUXSD-NRFANRHFSA-N	-1	1	548.686	5.895	50	10		KKCAMM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Br)c(O)c([O-])c2Br)c(=O)n(-c2ccccc2)n1C	ZINC000008427637	553020267	/nfs/dbraw/zinc/02/02/67/553020267.db2.gz	JUWYAKUQSHLCGD-UHFFFAOYSA-N	-1	1	654.359	5.399	50	10		KKCAMM
Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Br)c([O-])c(O)c2Br)c(=O)n(-c2ccccc2)n1C	ZINC000008427637	553020269	/nfs/dbraw/zinc/02/02/69/553020269.db2.gz	JUWYAKUQSHLCGD-UHFFFAOYSA-N	-1	1	654.359	5.399	50	10		KKCAMM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1[O-]	ZINC000008442911	553044806	/nfs/dbraw/zinc/04/48/06/553044806.db2.gz	CSFKWVYTOSXQPC-WGARJPEWSA-N	-1	1	550.659	5.122	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1	ZINC000009296647	553236005	/nfs/dbraw/zinc/23/60/05/553236005.db2.gz	AGAQEIYXUJVRAU-XDHOZWIPSA-N	-1	1	508.459	5.411	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccc([C@H](C)CC)cc1	ZINC000009510897	553276211	/nfs/dbraw/zinc/27/62/11/553276211.db2.gz	FVUSCVWWWSVNFF-QFNCUCFLSA-N	-1	1	506.089	6.589	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21	ZINC000017445227	553596566	/nfs/dbraw/zinc/59/65/66/553596566.db2.gz	OIGHBIWWOOXXGQ-KNQAVFIVSA-N	-1	1	500.190	6.160	50	10		KKCAMM
COc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OCC(C)C	ZINC000096116255	553726830	/nfs/dbraw/zinc/72/68/30/553726830.db2.gz	PTXNBJSMSWJGIO-GOSISDBHSA-N	-1	1	502.519	5.356	50	10	biogenic	KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025577217	553810948	/nfs/dbraw/zinc/81/09/48/553810948.db2.gz	RSTZNEDDIWXIKK-OZXSUGGESA-N	-1	1	505.799	7.204	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000025579013	553811514	/nfs/dbraw/zinc/81/15/14/553811514.db2.gz	WWHNLQSYMLAGRU-NTKDMRAZSA-N	-1	1	515.791	6.068	50	10		KKCAMM
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000097971219	553961645	/nfs/dbraw/zinc/96/16/45/553961645.db2.gz	QVTDIRLIHNBIHW-MCMSANRSSA-N	-1	1	668.263	7.710	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21	ZINC000100703078	554452503	/nfs/dbraw/zinc/45/25/03/554452503.db2.gz	WAUXDRMTPJUKAE-UGKGYDQZSA-N	-1	1	534.635	6.813	50	10		KKCAMM
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-]	ZINC000101104196	554639727	/nfs/dbraw/zinc/63/97/27/554639727.db2.gz	GLVWMTDFJICHRP-UHFFFAOYSA-N	-1	1	602.304	6.064	50	10		KKCAMM
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000101114159	554642635	/nfs/dbraw/zinc/64/26/35/554642635.db2.gz	UFTUCAPRSXSHQT-XNTDXEJSSA-N	-1	1	542.857	5.623	50	10		KKCAMM
C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(I)c2[O-])N3)C1	ZINC000101897068	554847135	/nfs/dbraw/zinc/84/71/35/554847135.db2.gz	VUTCNCGEGZKXFZ-NZFNHWASSA-N	-1	1	566.202	5.217	50	10		KKCAMM
COc1ccc(N2CCN(C(=O)c3ccc(NCc4ccc(F)cc4)c(S(=O)(=O)[N-]c4cccc(OC)c4)c3)CC2)cc1	ZINC000102729770	555023265	/nfs/dbraw/zinc/02/32/65/555023265.db2.gz	GYJSLIXEWGYBEE-UHFFFAOYSA-N	-1	1	604.704	5.218	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000103924752	571369982	/nfs/dbraw/zinc/36/99/82/571369982.db2.gz	CNNUDQWMUBHBKD-ZEQKJWHPSA-N	-1	1	550.250	7.313	50	10		KKCAMM
CC(C)(C)c1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc(C(C)(C)C)c1O	ZINC000108450533	571425379	/nfs/dbraw/zinc/42/53/79/571425379.db2.gz	SLUFWZNJHDLUDB-INIZCTEOSA-N	-1	1	560.599	6.024	50	10	biogenic	KKCAMM
COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OCCc1ccc2c(c1)CCO2	ZINC000108451044	571425473	/nfs/dbraw/zinc/42/54/73/571425473.db2.gz	COMWOMMKCWRXQY-QHCPKHFHSA-N	-1	1	592.600	5.877	50	10	biogenic	KKCAMM
O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	ZINC000136846716	571449819	/nfs/dbraw/zinc/44/98/19/571449819.db2.gz	VJSJGWNLOXSABK-UHFFFAOYSA-N	-1	1	570.647	6.686	50	10		KKCAMM
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000150386551	571469417	/nfs/dbraw/zinc/46/94/17/571469417.db2.gz	ZVLGTZGWDIDDCR-VXLYETTFSA-N	-1	1	630.314	5.629	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000248144249	572255530	/nfs/dbraw/zinc/25/55/30/572255530.db2.gz	VFEIETOQNYMHJI-CYFREDJKSA-N	-1	1	550.236	6.721	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1	ZINC000248177484	572256254	/nfs/dbraw/zinc/25/62/54/572256254.db2.gz	BAPQQOQUFUHILI-OFNKIYASSA-N	-1	1	530.216	6.168	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Br)ccc2[O-])cc1	ZINC000248252526	572257224	/nfs/dbraw/zinc/25/72/24/572257224.db2.gz	QMCKHKLFKLWQPV-REWPJTCUSA-N	-1	1	520.210	6.712	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccc(OCCc3ccc4c(c3)CCO4)cc1)CC(=O)O2	ZINC000217786739	1071292673	/nfs/dbraw/zinc/29/26/73/1071292673.db2.gz	LBMMFSKGSSXHGA-QFIPXVFZSA-N	-1	1	594.572	5.280	50	10	biogenic	KKCAMM
O=C(CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccccc1Cl)c1ccc([O-])c(O)c1	ZINC000002962243	552234300	/nfs/dbraw/zinc/23/43/00/552234300.db2.gz	BGTDUIOTCYNODR-UHFFFAOYSA-N	-1	1	509.008	5.699	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000006065431	552521348	/nfs/dbraw/zinc/52/13/48/552521348.db2.gz	ARVKCAANECQVGA-HZHRSRAPSA-N	-1	1	539.455	5.585	50	10		KKCAMM
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4)c3=O)cc2)cc1	ZINC000006065423	552521374	/nfs/dbraw/zinc/52/13/74/552521374.db2.gz	CGBQGMVSWKARQA-LFVJCYFKSA-N	-1	1	555.454	5.367	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1	ZINC000016700241	553574420	/nfs/dbraw/zinc/57/44/20/553574420.db2.gz	LHSXGBJAPZNKKA-UCQKPKSFSA-N	-1	1	504.036	6.261	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21	ZINC000017445224	553596539	/nfs/dbraw/zinc/59/65/39/553596539.db2.gz	OIGHBIWWOOXXGQ-UGKGYDQZSA-N	-1	1	500.190	6.160	50	10		KKCAMM
[O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	ZINC000019910574	553633203	/nfs/dbraw/zinc/63/32/03/553633203.db2.gz	JVWTZGXMKBGVSH-RUZDIDTESA-N	-1	1	516.831	6.951	50	10		KKCAMM
COc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OCC(C)C	ZINC000096116254	553726884	/nfs/dbraw/zinc/72/68/84/553726884.db2.gz	PTXNBJSMSWJGIO-SFHVURJKSA-N	-1	1	502.519	5.356	50	10	biogenic	KKCAMM
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2I)cc1	ZINC000097944427	553769640	/nfs/dbraw/zinc/76/96/40/553769640.db2.gz	ABFWUOUESRVHCP-ODLFYWEKSA-N	-1	1	602.381	5.379	50	10		KKCAMM
[O-]c1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025576976	553810682	/nfs/dbraw/zinc/81/06/82/553810682.db2.gz	UBLCMNDKWHWZGA-OZXSUGGESA-N	-1	1	505.799	7.204	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025577221	553810918	/nfs/dbraw/zinc/81/09/18/553810918.db2.gz	RSTZNEDDIWXIKK-JYFHCDHNSA-N	-1	1	505.799	7.204	50	10		KKCAMM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1	ZINC000097960621	553873040	/nfs/dbraw/zinc/87/30/40/553873040.db2.gz	PNSZPAVXPNVVQK-NYYWCZLTSA-N	-1	1	591.981	5.029	50	10		KKCAMM
CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c1C)CCCC2	ZINC000097960824	553873635	/nfs/dbraw/zinc/87/36/35/553873635.db2.gz	MCBILDNDXFFOAZ-KGENOOAVSA-N	-1	1	577.684	5.581	50	10		KKCAMM
CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)NC2=S)cc1	ZINC000097960869	553874026	/nfs/dbraw/zinc/87/40/26/553874026.db2.gz	IFNFFDUHTJRVGS-JAIQZWGSSA-N	-1	1	571.438	6.341	50	10		KKCAMM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000100031455	554185925	/nfs/dbraw/zinc/18/59/25/554185925.db2.gz	YZHFWQYHQJBERD-HYARGMPZSA-N	-1	1	545.846	5.622	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCCOc1ccc(C2CCCCC2)cc1	ZINC000100269660	554268736	/nfs/dbraw/zinc/26/87/36/554268736.db2.gz	SVEQHSSLQYRNOK-JCMHNJIXSA-N	-1	1	595.524	6.294	50	10		KKCAMM
COc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)cc2)cc1	ZINC000100364361	554349378	/nfs/dbraw/zinc/34/93/78/554349378.db2.gz	GDIISXSXYAHLHX-DEDYPNTBSA-N	-1	1	565.866	6.175	50	10		KKCAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccccc2Cl)[n-]c1=O	ZINC000100792007	554473340	/nfs/dbraw/zinc/47/33/40/554473340.db2.gz	NAXKKYJILXKMAI-RCCKNPSSSA-N	-1	1	529.025	5.908	50	10		KKCAMM
COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1	ZINC000101917268	554850579	/nfs/dbraw/zinc/85/05/79/554850579.db2.gz	GAQNBIKSXRAQSO-UHFFFAOYSA-N	-1	1	552.587	5.320	50	10		KKCAMM
COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3cc(-c4cccs4)on3)CC2)cc1	ZINC000101917265	554850670	/nfs/dbraw/zinc/85/06/70/554850670.db2.gz	ZLRBZHGYTBDJQW-UHFFFAOYSA-N	-1	1	528.590	5.373	50	10		KKCAMM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(I)c2[O-])N3)C1	ZINC000102089254	554877276	/nfs/dbraw/zinc/87/72/76/554877276.db2.gz	DEUWUEUQPDGAIZ-XTZNXHDOSA-N	-1	1	575.310	6.791	50	10		KKCAMM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(I)c2[O-])N3)C1	ZINC000102089246	554877297	/nfs/dbraw/zinc/87/72/97/554877297.db2.gz	DEUWUEUQPDGAIZ-YPMLDQLKSA-N	-1	1	575.310	6.791	50	10		KKCAMM
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	571424793	/nfs/dbraw/zinc/42/47/93/571424793.db2.gz	FRKHYDRDRJDJCM-JOCHJYFZSA-N	-1	1	610.615	6.434	50	10	biogenic	KKCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000108451304	571425604	/nfs/dbraw/zinc/42/56/04/571425604.db2.gz	XLRHKPTXMXNAGC-OAQYLSRUSA-N	-1	1	624.598	5.288	50	10	biogenic	KKCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCc1ccccc1	ZINC000108451557	571425750	/nfs/dbraw/zinc/42/57/50/571425750.db2.gz	HOVSAMZKDZJTSH-LJQANCHMSA-N	-1	1	568.534	5.311	50	10	biogenic	KKCAMM
COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000108451538	571425850	/nfs/dbraw/zinc/42/58/50/571425850.db2.gz	IBIZKNUAUUSVCQ-OAQYLSRUSA-N	-1	1	612.587	5.362	50	10	biogenic	KKCAMM
COC(=O)Cc1c(-c2ccc(-c3ccccc3)cc2)oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000604405264	1071272654	/nfs/dbraw/zinc/27/26/54/1071272654.db2.gz	QCNBRHYNYBAUNU-UHFFFAOYSA-N	-1	1	550.519	6.078	50	10		KKCAMM
COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[n-]3)c2)c1	ZINC000000725078	551538010	/nfs/dbraw/zinc/53/80/10/551538010.db2.gz	QYKHZPPRXAHXSA-UHFFFAOYSA-N	-1	1	531.783	5.388	50	10		KKCAMM
COc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)cc2)cc1	ZINC000006028170	552520590	/nfs/dbraw/zinc/52/05/90/552520590.db2.gz	GDIISXSXYAHLHX-MOSHPQCFSA-N	-1	1	565.866	6.175	50	10		KKCAMM
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000006152688	552551798	/nfs/dbraw/zinc/55/17/98/552551798.db2.gz	SULXPXFPYGHOHB-OAQYLSRUSA-N	-1	1	582.625	6.233	50	10		KKCAMM
CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000006266901	552575519	/nfs/dbraw/zinc/57/55/19/552575519.db2.gz	YFFGETRTCCAJLJ-MUUNZHRXSA-N	-1	1	594.711	5.294	50	10		KKCAMM
CCCCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C(=O)NC2=S)cc1	ZINC000009088393	553208886	/nfs/dbraw/zinc/20/88/86/553208886.db2.gz	JUXOEWUQPKOOTE-LFVJCYFKSA-N	-1	1	501.608	5.378	50	10		KKCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000009311654	553239716	/nfs/dbraw/zinc/23/97/16/553239716.db2.gz	SLNUFYKLIHTWJD-SRZZPIQSSA-N	-1	1	514.434	5.236	50	10		KKCAMM
O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl	ZINC000009459527	553266709	/nfs/dbraw/zinc/26/67/09/553266709.db2.gz	WZPBBRNJWLJDMV-HAVVHWLPSA-N	-1	1	506.071	5.420	50	10		KKCAMM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc5ccccc5c4)C3=O)o2)cc1Cl	ZINC000013635220	553478800	/nfs/dbraw/zinc/47/88/00/553478800.db2.gz	QCYPXGCEWPQWCQ-DEDYPNTBSA-N	-1	1	502.935	5.283	50	10		KKCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)N(C3CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000016993892	553586042	/nfs/dbraw/zinc/58/60/42/553586042.db2.gz	GFMSNAOJHMXHON-HZHRSRAPSA-N	-1	1	507.612	5.032	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21	ZINC000025869125	553814401	/nfs/dbraw/zinc/81/44/01/553814401.db2.gz	BYZQZFFMAVDJLT-UZLBHIALSA-N	-1	1	506.219	6.221	50	10		KKCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000097966795	553910306	/nfs/dbraw/zinc/91/03/06/553910306.db2.gz	WDMMSDIQTOZBAZ-UQQQWYQISA-N	-1	1	533.650	5.590	50	10		KKCAMM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C(=O)NC2=S)cc1	ZINC000033334424	553921532	/nfs/dbraw/zinc/92/15/32/553921532.db2.gz	TZANZGBCGDHSJH-MTJSOVHGSA-N	-1	1	507.999	5.680	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2	ZINC000097972014	553964907	/nfs/dbraw/zinc/96/49/07/553964907.db2.gz	WMDPLOVVUAEOTM-QFIPXVFZSA-N	-1	1	578.573	5.574	50	10	biogenic	KKCAMM
COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000097972091	553966050	/nfs/dbraw/zinc/96/60/50/553966050.db2.gz	VRLHVIVWHPGRFY-JOCHJYFZSA-N	-1	1	596.588	5.657	50	10	biogenic	KKCAMM
CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)NC2=S)cc1	ZINC000100241480	554260536	/nfs/dbraw/zinc/26/05/36/554260536.db2.gz	IFNFFDUHTJRVGS-RGVLZGJSSA-N	-1	1	571.438	5.501	50	10		KKCAMM
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	ZINC000100444620	554393988	/nfs/dbraw/zinc/39/39/88/554393988.db2.gz	HYQRICGMHBKGGR-VCHYOVAHSA-N	-1	1	527.385	5.102	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2[O-])cc1	ZINC000100727473	554457846	/nfs/dbraw/zinc/45/78/46/554457846.db2.gz	QMCKHKLFKLWQPV-NFBKMPQASA-N	-1	1	520.210	6.712	50	10		KKCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23	ZINC000100927570	554524656	/nfs/dbraw/zinc/52/46/56/554524656.db2.gz	FGNZEHJDFVKBHN-LGUFXXKBSA-N	-1	1	612.114	8.115	50	10		KKCAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Sc2nc3ccccc3s2)cc1	ZINC000107274750	571420035	/nfs/dbraw/zinc/42/00/35/571420035.db2.gz	CSLJPFGYIUDWCN-UHFFFAOYSA-N	-1	1	581.766	6.666	50	10		KKCAMM
CCC(C)(C)c1ccc(O[C@@H](C(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4ccccc4)[n-]3)c2)C(C)C)cc1	ZINC000002053606	551739208	/nfs/dbraw/zinc/73/92/08/551739208.db2.gz	YEUGARSUAWTKEX-GDLZYMKVSA-N	-1	1	540.664	5.897	50	10		KKCAMM
[O-]c1c([C@H](c2ccc(Br)cc2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	ZINC000002708281	552160381	/nfs/dbraw/zinc/16/03/81/552160381.db2.gz	OVRNJCKOYMHPSR-VWLOTQADSA-N	-1	1	526.837	6.407	50	10		KKCAMM
Cc1ccc(S(=O)(=O)[N-]c2c3ccccc3c(NS(=O)(=O)c3ccc(C)cc3)cc2[C@@H]2CCC(=O)C2)cc1	ZINC000004647592	552470735	/nfs/dbraw/zinc/47/07/35/552470735.db2.gz	YDOSWXQZRWUXSD-OAQYLSRUSA-N	-1	1	548.686	5.895	50	10		KKCAMM
CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc2oc1-c1ccccc1	ZINC000006142782	552544229	/nfs/dbraw/zinc/54/42/29/552544229.db2.gz	GGOTXCLJXSPTSW-UHFFFAOYSA-N	-1	1	551.576	5.853	50	10		KKCAMM
CCOC(=O)c1c(CN2CCCCC2)n(-c2ccccc2)c2cc(Br)c([O-])c(CN3CCOCC3)c21	ZINC000008426277	553018140	/nfs/dbraw/zinc/01/81/40/553018140.db2.gz	HEUKVKZGBUVIBD-UHFFFAOYSA-N	-1	1	556.501	5.093	50	10		KKCAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccc(C)cc2)[n-]c1=O	ZINC000008723354	553130234	/nfs/dbraw/zinc/13/02/34/553130234.db2.gz	PDEURXIGWKVYAW-KQWNVCNZSA-N	-1	1	508.607	5.563	50	10		KKCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1-c1nnc(SCc2ccc(C)cc2)[n-]c1=O	ZINC000008723354	553130237	/nfs/dbraw/zinc/13/02/37/553130237.db2.gz	PDEURXIGWKVYAW-KQWNVCNZSA-N	-1	1	508.607	5.563	50	10		KKCAMM
Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	ZINC000008738808	553131026	/nfs/dbraw/zinc/13/10/26/553131026.db2.gz	GOFKIAKJRNOLJL-UHFFFAOYSA-N	-1	1	504.637	5.041	50	10		KKCAMM
Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	ZINC000008738808	553131028	/nfs/dbraw/zinc/13/10/28/553131028.db2.gz	GOFKIAKJRNOLJL-UHFFFAOYSA-N	-1	1	504.637	5.041	50	10		KKCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	ZINC000008738808	553131031	/nfs/dbraw/zinc/13/10/31/553131031.db2.gz	GOFKIAKJRNOLJL-UHFFFAOYSA-N	-1	1	504.637	5.041	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21	ZINC000009035538	553202125	/nfs/dbraw/zinc/20/21/25/553202125.db2.gz	OIGHBIWWOOXXGQ-DENIHFKCSA-N	-1	1	500.190	6.160	50	10		KKCAMM
O=C(CSc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1)c1ccc([O-])c(O)c1	ZINC000020530589	553669941	/nfs/dbraw/zinc/66/99/41/553669941.db2.gz	ZJAXXPZDSPKARB-UHFFFAOYSA-N	-1	1	515.635	6.280	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025577231	553810901	/nfs/dbraw/zinc/81/09/01/553810901.db2.gz	RSTZNEDDIWXIKK-ZEQKJWHPSA-N	-1	1	505.799	7.204	50	10		KKCAMM
O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc5ccccc5c4)C3=O)o2)ccc1Cl	ZINC000027527968	553830979	/nfs/dbraw/zinc/83/09/79/553830979.db2.gz	TVQRFFWRYUSPQL-DEDYPNTBSA-N	-1	1	502.935	6.123	50	10		KKCAMM
CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000097961400	553877684	/nfs/dbraw/zinc/87/76/84/553877684.db2.gz	JAIXEKBMBNKYLT-UHFFFAOYSA-N	-1	1	624.737	5.268	50	10		KKCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-]	ZINC000100031715	554186142	/nfs/dbraw/zinc/18/61/42/554186142.db2.gz	KSEGFFDUTODYKR-KHFFFTKUSA-N	-1	1	521.537	5.032	50	10		KKCAMM
CN(Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21	ZINC000054209006	554349046	/nfs/dbraw/zinc/34/90/46/554349046.db2.gz	YOHVQBHYPXMBRM-UHFFFAOYSA-N	-1	1	505.492	7.095	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000059796643	554430567	/nfs/dbraw/zinc/43/05/67/554430567.db2.gz	WOQHZYYVDXERQM-BUVRLJJBSA-N	-1	1	539.455	5.585	50	10		KKCAMM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1[O-]	ZINC000103694020	555463590	/nfs/dbraw/zinc/46/35/90/555463590.db2.gz	CSFKWVYTOSXQPC-VULFUBBASA-N	-1	1	550.659	5.122	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21	ZINC000104139342	571374711	/nfs/dbraw/zinc/37/47/11/571374711.db2.gz	WAUXDRMTPJUKAE-DENIHFKCSA-N	-1	1	534.635	6.813	50	10		KKCAMM
COc1ccc(CCOc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)ccc2OC)cc1	ZINC000108448399	571424255	/nfs/dbraw/zinc/42/42/55/571424255.db2.gz	NXJLRTWACLZUAZ-NRFANRHFSA-N	-1	1	612.587	5.362	50	10	biogenic	KKCAMM
COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000217602062	571601806	/nfs/dbraw/zinc/60/18/06/571601806.db2.gz	HHJWNBIIERKBMK-NRFANRHFSA-N	-1	1	582.561	5.354	50	10	biogenic	KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000239432912	572195619	/nfs/dbraw/zinc/19/56/19/572195619.db2.gz	WWHNLQSYMLAGRU-DVECYGJZSA-N	-1	1	515.791	6.068	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000248133284	572254765	/nfs/dbraw/zinc/25/47/65/572254765.db2.gz	LRVFUUCGUNDMII-DVECYGJZSA-N	-1	1	560.242	6.177	50	10		KKCAMM
CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-]	ZINC000251619849	572259528	/nfs/dbraw/zinc/25/95/28/572259528.db2.gz	DYXAVASMACJLPD-DHIUTWEWSA-N	-1	1	504.671	6.400	50	10		KKCAMM
CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-]	ZINC000251619849	572259529	/nfs/dbraw/zinc/25/95/29/572259529.db2.gz	DYXAVASMACJLPD-DHIUTWEWSA-N	-1	1	504.671	6.400	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cccc(OCCc3ccc4c(c3)CCO4)c1)CC(=O)O2	ZINC000217677132	1071291931	/nfs/dbraw/zinc/29/19/31/1071291931.db2.gz	ILOOSMBALVTUAC-JOCHJYFZSA-N	-1	1	594.572	5.280	50	10	biogenic	KKCAMM
CCCCCCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)[N-]C1=S	ZINC000002590867	552132634	/nfs/dbraw/zinc/13/26/34/552132634.db2.gz	QQSZBJRJTSFJIJ-XQNSMLJCSA-N	-1	1	509.628	5.280	50	10		KKCAMM
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[n-]3)c2)c(C(C)(C)CC)c1	ZINC000004583550	552468895	/nfs/dbraw/zinc/46/88/95/552468895.db2.gz	QDIMMGOJTIUSOA-UHFFFAOYSA-N	-1	1	672.053	8.520	50	10		KKCAMM
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)n1-c1ccc(Cl)cc1	ZINC000006144783	552547304	/nfs/dbraw/zinc/54/73/04/552547304.db2.gz	ZKYAQQFIIVVJKJ-FQEVSTJZSA-N	-1	1	595.073	5.748	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1	ZINC000009957662	553320423	/nfs/dbraw/zinc/32/04/23/553320423.db2.gz	HSRPAKUFSAQFOE-BWAHOGKJSA-N	-1	1	505.661	5.968	50	10		KKCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000016694241	553573911	/nfs/dbraw/zinc/57/39/11/553573911.db2.gz	AEJIITNPNUARQU-UQQQWYQISA-N	-1	1	517.010	6.013	50	10		KKCAMM
[O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	ZINC000019910571	553633187	/nfs/dbraw/zinc/63/31/87/553633187.db2.gz	JVWTZGXMKBGVSH-VWLOTQADSA-N	-1	1	516.831	6.951	50	10		KKCAMM
CCCCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)NC2=S)cc1	ZINC000020011029	553656507	/nfs/dbraw/zinc/65/65/07/553656507.db2.gz	NJWOLONOGCZQOL-LFVJCYFKSA-N	-1	1	501.608	5.807	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000025579007	553811464	/nfs/dbraw/zinc/81/14/64/553811464.db2.gz	WWHNLQSYMLAGRU-YADARESESA-N	-1	1	515.791	6.068	50	10		KKCAMM
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1	ZINC000033358375	553955144	/nfs/dbraw/zinc/95/51/44/553955144.db2.gz	XAMYTXFLSRGFJX-YBFXNURJSA-N	-1	1	571.836	6.051	50	10		KKCAMM
CCC(=Nc1cccc(Cl)c1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000097971285	553962361	/nfs/dbraw/zinc/96/23/61/553962361.db2.gz	GVKLZPXPLCKHKC-GFMRDNFCSA-N	-1	1	539.513	7.874	50	10		KKCAMM
COc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OCc1ccc(C(C)C)cc1	ZINC000097971960	553964579	/nfs/dbraw/zinc/96/45/79/553964579.db2.gz	NLVPZYHNNHBKTN-XMMPIXPASA-N	-1	1	578.617	7.023	50	10	biogenic	KKCAMM
COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCc1ccc(C(C)C)cc1	ZINC000097972083	553965696	/nfs/dbraw/zinc/96/56/96/553965696.db2.gz	BBUXXPRTIXHYTG-HSZRJFAPSA-N	-1	1	594.616	6.729	50	10	biogenic	KKCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000100148906	554230955	/nfs/dbraw/zinc/23/09/55/554230955.db2.gz	BWOWWNUNCWWQPW-HYARGMPZSA-N	-1	1	545.846	5.622	50	10		KKCAMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000100249233	554261926	/nfs/dbraw/zinc/26/19/26/554261926.db2.gz	STAVGTNYBDZTRS-GRSHGNNSSA-N	-1	1	558.841	5.040	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000100727334	554457718	/nfs/dbraw/zinc/45/77/18/554457718.db2.gz	CNNUDQWMUBHBKD-BVAGGSTKSA-N	-1	1	550.250	7.313	50	10		KKCAMM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(I)c2[O-])N3)C1	ZINC000101897053	554847168	/nfs/dbraw/zinc/84/71/68/554847168.db2.gz	VUTCNCGEGZKXFZ-MLXNANBUSA-N	-1	1	566.202	5.217	50	10		KKCAMM
COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)cc1	ZINC000101917258	554850640	/nfs/dbraw/zinc/85/06/40/554850640.db2.gz	NWKSPKQFVXFMIW-UHFFFAOYSA-N	-1	1	540.551	5.450	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000103924744	571369940	/nfs/dbraw/zinc/36/99/40/571369940.db2.gz	CNNUDQWMUBHBKD-JYFHCDHNSA-N	-1	1	550.250	7.313	50	10		KKCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23	ZINC000104444578	571381002	/nfs/dbraw/zinc/38/10/02/571381002.db2.gz	FGNZEHJDFVKBHN-XHPQRKPJSA-N	-1	1	612.114	8.115	50	10		KKCAMM
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	571425865	/nfs/dbraw/zinc/42/58/65/571425865.db2.gz	FFLGINURRIUQFE-SFHVURJKSA-N	-1	1	542.496	5.230	50	10	biogenic	KKCAMM
O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1	ZINC000150381578	571466984	/nfs/dbraw/zinc/46/69/84/571466984.db2.gz	WGYQALRTJMTXAR-VCHYOVAHSA-N	-1	1	616.287	5.320	50	10		KKCAMM
CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000150403057	571478530	/nfs/dbraw/zinc/47/85/30/571478530.db2.gz	LWSIVCKEMLPVTA-RGVLZGJSSA-N	-1	1	660.340	5.719	50	10		KKCAMM
CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc([O-])c(O)cc23)/C(=C/c2ccc3c(c2)OCO3)C1	ZINC000097979861	1072838352	/nfs/dbraw/zinc/83/83/52/1072838352.db2.gz	UWVGAGGHBUNQKK-BJJGPXNVSA-N	-1	1	605.643	6.987	50	10		KKCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	ZINC000002305731	552090314	/nfs/dbraw/zinc/09/03/14/552090314.db2.gz	RBPCSFZIXGCBEF-UHFFFAOYSA-N	-1	1	528.431	6.328	50	10		KKCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	ZINC000002305731	552090316	/nfs/dbraw/zinc/09/03/16/552090316.db2.gz	RBPCSFZIXGCBEF-UHFFFAOYSA-N	-1	1	528.431	6.328	50	10		KKCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	ZINC000002305731	552090318	/nfs/dbraw/zinc/09/03/18/552090318.db2.gz	RBPCSFZIXGCBEF-UHFFFAOYSA-N	-1	1	528.431	6.328	50	10		KKCAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc4ccc(Nc5ccc(C)cc5)c5c4c(n3)-c3ccccc3C5=O)cc2)cc1	ZINC000003144462	552296973	/nfs/dbraw/zinc/29/69/73/552296973.db2.gz	QCEBEBBMQAPQFS-UHFFFAOYSA-N	-1	1	582.685	7.669	50	10		KKCAMM
Cc1oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2c1C(=O)OCc1ccccc1	ZINC000006142783	552544157	/nfs/dbraw/zinc/54/41/57/552544157.db2.gz	NGXWCLMQEUMGQX-UHFFFAOYSA-N	-1	1	551.576	5.674	50	10		KKCAMM
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c(Br)c(Br)c1[O-]	ZINC000008430472	553021486	/nfs/dbraw/zinc/02/14/86/553021486.db2.gz	JNMSPKNQIRWHBH-VZUCSPMQSA-N	-1	1	535.019	6.039	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1ccc([C@@H](C)CC)cc1	ZINC000009510899	553276231	/nfs/dbraw/zinc/27/62/31/553276231.db2.gz	FVUSCVWWWSVNFF-PZBNQXIHSA-N	-1	1	506.089	6.589	50	10		KKCAMM
O=C([O-])c1cccc(COc2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2Cl)c1	ZINC000009907603	553316021	/nfs/dbraw/zinc/31/60/21/553316021.db2.gz	HWRKHSCARDCPNN-ODLFYWEKSA-N	-1	1	510.930	5.428	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	ZINC000013893754	553494419	/nfs/dbraw/zinc/49/44/19/553494419.db2.gz	BSIDTPKHFRRIQQ-JCMHNJIXSA-N	-1	1	504.073	6.343	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1	ZINC000013895145	553494542	/nfs/dbraw/zinc/49/45/42/553494542.db2.gz	KZRYXWLRAFFJMS-XDHOZWIPSA-N	-1	1	508.459	5.411	50	10		KKCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCC(C)C	ZINC000096114270	553724894	/nfs/dbraw/zinc/72/48/94/553724894.db2.gz	IYEIYIFAPQWLCP-QGZVFWFLSA-N	-1	1	518.518	5.061	50	10	biogenic	KKCAMM
CCOc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000097960861	553874112	/nfs/dbraw/zinc/87/41/12/553874112.db2.gz	IEPTXARKMWNQQL-BKUYFWCQSA-N	-1	1	581.444	5.797	50	10		KKCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1	ZINC000033353550	553925940	/nfs/dbraw/zinc/92/59/40/553925940.db2.gz	XHUKWSRZTVGIJD-UHFFFAOYSA-N	-1	1	529.456	5.709	50	10		KKCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1	ZINC000033353550	553925938	/nfs/dbraw/zinc/92/59/38/553925938.db2.gz	XHUKWSRZTVGIJD-UHFFFAOYSA-N	-1	1	529.456	5.709	50	10		KKCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1	ZINC000033353550	553925944	/nfs/dbraw/zinc/92/59/44/553925944.db2.gz	XHUKWSRZTVGIJD-UHFFFAOYSA-N	-1	1	529.456	5.709	50	10		KKCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033358389	553955085	/nfs/dbraw/zinc/95/50/85/553955085.db2.gz	GBKAAQLOEWRVLI-OEAKJJBVSA-N	-1	1	530.602	5.767	50	10		KKCAMM
COc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OCc1ccc(C(C)C)cc1	ZINC000097971959	553964671	/nfs/dbraw/zinc/96/46/71/553964671.db2.gz	NLVPZYHNNHBKTN-DEOSSOPVSA-N	-1	1	578.617	7.023	50	10	biogenic	KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1ccc(OCCc3ccc4c(c3)CCO4)cc1)CC(=O)O2	ZINC000097972031	553965393	/nfs/dbraw/zinc/96/53/93/553965393.db2.gz	NQIOGLIHERFQSB-QHCPKHFHSA-N	-1	1	578.573	5.574	50	10	biogenic	KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000097976820	553973044	/nfs/dbraw/zinc/97/30/44/553973044.db2.gz	VFEIETOQNYMHJI-NTKDMRAZSA-N	-1	1	550.236	6.721	50	10		KKCAMM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1O	ZINC000100148774	554231022	/nfs/dbraw/zinc/23/10/22/554231022.db2.gz	UTZQTXAHXSALFA-YBOYZMIGSA-N	-1	1	528.519	5.107	50	10		KKCAMM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1O	ZINC000100148788	554231044	/nfs/dbraw/zinc/23/10/44/554231044.db2.gz	UTZQTXAHXSALFA-OZEVPFDHSA-N	-1	1	528.519	5.107	50	10		KKCAMM
CCOc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)c(Br)c(Br)c1[O-]	ZINC000100229937	554255239	/nfs/dbraw/zinc/25/52/39/554255239.db2.gz	RTTGBVGQWAHSFU-AUWJEWJLSA-N	-1	1	548.153	6.141	50	10		KKCAMM
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c(Br)c(Br)c1[O-]	ZINC000100319795	554304523	/nfs/dbraw/zinc/30/45/23/554304523.db2.gz	JNMSPKNQIRWHBH-WZUFQYTHSA-N	-1	1	535.019	6.039	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2[O-])cc1	ZINC000100727472	554457732	/nfs/dbraw/zinc/45/77/32/554457732.db2.gz	QMCKHKLFKLWQPV-NZQKXSOJSA-N	-1	1	520.210	6.712	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000100727347	554457779	/nfs/dbraw/zinc/45/77/79/554457779.db2.gz	RBNNCUPYEPLFCE-OZXSUGGESA-N	-1	1	540.244	7.857	50	10		KKCAMM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000100930997	554527237	/nfs/dbraw/zinc/52/72/37/554527237.db2.gz	XIZREEIIWSMVHW-HYARGMPZSA-N	-1	1	501.395	5.513	50	10		KKCAMM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(I)c2[O-])N3)C1	ZINC000102089251	554877292	/nfs/dbraw/zinc/87/72/92/554877292.db2.gz	DEUWUEUQPDGAIZ-MLCYQJTMSA-N	-1	1	575.310	6.791	50	10		KKCAMM
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4)c3=O)cc2)cc1	ZINC000103864696	571367978	/nfs/dbraw/zinc/36/79/78/571367978.db2.gz	CGBQGMVSWKARQA-JLPGSUDCSA-N	-1	1	555.454	5.367	50	10		KKCAMM
COc1ccc(CCOc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)ccc2OC)cc1	ZINC000108448402	571424268	/nfs/dbraw/zinc/42/42/68/571424268.db2.gz	NXJLRTWACLZUAZ-OAQYLSRUSA-N	-1	1	612.587	5.362	50	10	biogenic	KKCAMM
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	571424869	/nfs/dbraw/zinc/42/48/69/571424869.db2.gz	FRKHYDRDRJDJCM-QFIPXVFZSA-N	-1	1	610.615	6.434	50	10	biogenic	KKCAMM
COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1	ZINC000108451194	571425610	/nfs/dbraw/zinc/42/56/10/571425610.db2.gz	MPOVSZKZJAHYCX-QHCPKHFHSA-N	-1	1	580.589	5.951	50	10	biogenic	KKCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCc1ccccc1	ZINC000108451554	571425784	/nfs/dbraw/zinc/42/57/84/571425784.db2.gz	HOVSAMZKDZJTSH-IBGZPJMESA-N	-1	1	568.534	5.311	50	10	biogenic	KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000248144250	572255475	/nfs/dbraw/zinc/25/54/75/572255475.db2.gz	VFEIETOQNYMHJI-DVECYGJZSA-N	-1	1	550.236	6.721	50	10		KKCAMM
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)c(C)n1-c1ccccc1	ZINC000006244406	193875730	/nfs/dbraw/zinc/87/57/30/193875730.db2.gz	SJNVINKGCJYQKB-VWLOTQADSA-N	-1	1	586.754	7.237	50	10		KKCAMM
COc1cc(CN2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2c2cc(Br)ccc2[O-])cc(OC)c1OC	ZINC000019329894	193881576	/nfs/dbraw/zinc/88/15/76/193881576.db2.gz	ZEBVTKWVIHUWHW-UHFFFAOYSA-N	-1	1	617.537	5.613	50	10		KKCAMM
CCC(C)(C)c1ccc(O[C@H](C(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4ccccc4)[n-]3)c2)C(C)C)cc1	ZINC000002049904	551738104	/nfs/dbraw/zinc/73/81/04/551738104.db2.gz	YEUGARSUAWTKEX-LJAQVGFWSA-N	-1	1	540.664	5.897	50	10		KKCAMM
[O-]c1c([C@@H](c2ccc(Br)cc2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	ZINC000002708276	552160491	/nfs/dbraw/zinc/16/04/91/552160491.db2.gz	OVRNJCKOYMHPSR-RUZDIDTESA-N	-1	1	526.837	6.407	50	10		KKCAMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000002783040	552188994	/nfs/dbraw/zinc/18/89/94/552188994.db2.gz	YLNBGSWHMHWHAM-VXLYETTFSA-N	-1	1	572.868	5.348	50	10		KKCAMM
Cc1cc(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003367562	552374125	/nfs/dbraw/zinc/37/41/25/552374125.db2.gz	RAPDBCGZPJSBTO-UHFFFAOYSA-N	-1	1	590.551	5.814	50	10		KKCAMM
COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000009296550	553235845	/nfs/dbraw/zinc/23/58/45/553235845.db2.gz	DNEZZJCGSKXMTP-DHRITJCHSA-N	-1	1	521.616	5.163	50	10		KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C(C)C	ZINC000009299680	553235973	/nfs/dbraw/zinc/23/59/73/553235973.db2.gz	WKIVLILQWMOAAT-HYARGMPZSA-N	-1	1	506.089	6.507	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1	ZINC000013514376	553468263	/nfs/dbraw/zinc/46/82/63/553468263.db2.gz	XISNPTZRKCCEDL-UCQKPKSFSA-N	-1	1	504.036	6.261	50	10		KKCAMM
[O-]c1c(Br)cc(Br)cc1CNc1ncc(Br)cc1Br	ZINC000097952050	553812754	/nfs/dbraw/zinc/81/27/54/553812754.db2.gz	VZOOGMPYLUXQQH-UHFFFAOYSA-N	-1	1	515.825	5.449	50	10		KKCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000097960963	553874757	/nfs/dbraw/zinc/87/47/57/553874757.db2.gz	FOOMFPXPNUUBPB-LPYMAVHISA-N	-1	1	524.440	5.532	50	10		KKCAMM
O=C1C[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1	ZINC000097971899	553963979	/nfs/dbraw/zinc/96/39/79/553963979.db2.gz	QIHQIQNXIQDOJJ-HSZRJFAPSA-N	-1	1	562.574	5.869	50	10	biogenic	KKCAMM
O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(Br)c2ccccc21	ZINC000098045669	554133209	/nfs/dbraw/zinc/13/32/09/554133209.db2.gz	OFBADCXKYILITL-UHFFFAOYSA-N	-1	1	543.489	6.870	50	10		KKCAMM
COc1ccc(N2CCN(c3ncc(Cl)c(C(=O)[N-]c4c5ccccc5oc4C(=O)c4ccccc4)n3)CC2)cc1	ZINC000098047877	554157096	/nfs/dbraw/zinc/15/70/96/554157096.db2.gz	HYQRVCMLGLBRFZ-UHFFFAOYSA-N	-1	1	568.033	5.695	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1	ZINC000100727452	554457757	/nfs/dbraw/zinc/45/77/57/554457757.db2.gz	BAPQQOQUFUHILI-NFBKMPQASA-N	-1	1	530.216	6.168	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000100730814	554459683	/nfs/dbraw/zinc/45/96/83/554459683.db2.gz	LRVFUUCGUNDMII-YADARESESA-N	-1	1	560.242	6.177	50	10		KKCAMM
COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000100730817	554459692	/nfs/dbraw/zinc/45/96/92/554459692.db2.gz	LRVFUUCGUNDMII-NTKDMRAZSA-N	-1	1	560.242	6.177	50	10		KKCAMM
O=C(COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O)c1ccc(Cl)cc1Cl	ZINC000102934053	555161308	/nfs/dbraw/zinc/16/13/08/555161308.db2.gz	QUVVICKNVXKKOU-UHFFFAOYSA-N	-1	1	559.767	5.101	50	10		KKCAMM
COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1	ZINC000108451196	571425600	/nfs/dbraw/zinc/42/56/00/571425600.db2.gz	MPOVSZKZJAHYCX-HSZRJFAPSA-N	-1	1	580.589	5.951	50	10	biogenic	KKCAMM
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc2)c(C)n1-c1ccccc1	ZINC000006244407	552573256	/nfs/dbraw/zinc/57/32/56/552573256.db2.gz	SJNVINKGCJYQKB-RUZDIDTESA-N	-1	1	586.754	7.237	50	10		KKCAMM
CC(=Nc1ccc(Cl)cc1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000008443922	553048341	/nfs/dbraw/zinc/04/83/41/553048341.db2.gz	KXQYKGMSCUROHY-HAHDFKILSA-N	-1	1	525.486	7.484	50	10		KKCAMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000009763791	553303506	/nfs/dbraw/zinc/30/35/06/553303506.db2.gz	YPQFNQBHZCQQJW-YDZHTSKRSA-N	-1	1	501.608	5.055	50	10		KKCAMM
COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC	ZINC000012436607	553366204	/nfs/dbraw/zinc/36/62/04/553366204.db2.gz	TUBMCWFINYNDCB-JIOFHBDDSA-N	-1	1	501.629	5.980	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1	ZINC000013895976	553494774	/nfs/dbraw/zinc/49/47/74/553494774.db2.gz	NSHWFVOKKUIMEM-JCMHNJIXSA-N	-1	1	518.498	6.443	50	10		KKCAMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	ZINC000015226165	553529288	/nfs/dbraw/zinc/52/92/88/553529288.db2.gz	LWEUAJYNHISJGU-WZOHSFFVSA-N	-1	1	511.441	6.085	50	10		KKCAMM
O=C([O-])COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1	ZINC000096116103	553726454	/nfs/dbraw/zinc/72/64/54/553726454.db2.gz	AKJRWBBQQJDKCB-UHFFFAOYSA-N	-1	1	503.511	5.061	50	10	biogenic	KKCAMM
CCCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl	ZINC000097944361	553769326	/nfs/dbraw/zinc/76/93/26/553769326.db2.gz	RHRWJIACOUZYBZ-WJDWOHSUSA-N	-1	1	515.224	6.976	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000097944955	553770334	/nfs/dbraw/zinc/77/03/34/553770334.db2.gz	IESGWERIZSQOMO-VQNDASPWSA-N	-1	1	588.796	7.572	50	10		KKCAMM
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c([O-])c(I)c1	ZINC000097961004	553874764	/nfs/dbraw/zinc/87/47/64/553874764.db2.gz	QDLMYCORFUDGDX-NYYWCZLTSA-N	-1	1	608.049	5.193	50	10		KKCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)cc1	ZINC000033353692	553926480	/nfs/dbraw/zinc/92/64/80/553926480.db2.gz	ISGHTMRAKOOFPC-USHMODERSA-N	-1	1	598.729	5.472	50	10		KKCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1	ZINC000033353692	553926478	/nfs/dbraw/zinc/92/64/78/553926478.db2.gz	ISGHTMRAKOOFPC-USHMODERSA-N	-1	1	598.729	5.472	50	10		KKCAMM
COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OCc1ccc(C(C)C)cc1	ZINC000097971920	553963839	/nfs/dbraw/zinc/96/38/39/553963839.db2.gz	PMNQBZKJUJGLDL-XMMPIXPASA-N	-1	1	578.617	7.023	50	10	biogenic	KKCAMM
COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OCc1ccc(C(C)C)cc1	ZINC000097971919	553963862	/nfs/dbraw/zinc/96/38/62/553963862.db2.gz	PMNQBZKJUJGLDL-DEOSSOPVSA-N	-1	1	578.617	7.023	50	10	biogenic	KKCAMM
O=C1C[C@@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1	ZINC000097971898	553963915	/nfs/dbraw/zinc/96/39/15/553963915.db2.gz	QIHQIQNXIQDOJJ-QHCPKHFHSA-N	-1	1	562.574	5.869	50	10	biogenic	KKCAMM
COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCCc1ccccc1	ZINC000097972096	553966095	/nfs/dbraw/zinc/96/60/95/553966095.db2.gz	GEKYQPFKUJTVFM-NRFANRHFSA-N	-1	1	566.562	5.648	50	10	biogenic	KKCAMM
O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(NS(=O)(=O)c4ccc5c6c(cccc64)C(=O)N5)c4ccccc34)c3cccc1c23	ZINC000097985271	554022196	/nfs/dbraw/zinc/02/21/96/554022196.db2.gz	KLYBOEGZDNSWFV-UHFFFAOYSA-N	-1	1	620.668	5.879	50	10		KKCAMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1O	ZINC000100041006	554192100	/nfs/dbraw/zinc/19/21/00/554192100.db2.gz	JUQOCXYFWBNACJ-KYGWZODQSA-N	-1	1	548.647	6.063	50	10		KKCAMM
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C(=O)NC2=S)cc1	ZINC000100215987	554250286	/nfs/dbraw/zinc/25/02/86/554250286.db2.gz	GWBVYJJWGLBMHH-VXLYETTFSA-N	-1	1	557.411	5.111	50	10		KKCAMM
COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000108448463	571424252	/nfs/dbraw/zinc/42/42/52/571424252.db2.gz	KSRNRYFDTQTVSN-GOSISDBHSA-N	-1	1	542.496	5.230	50	10	biogenic	KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccccc1OCCc1ccccc1)CC(=O)O2	ZINC000108449077	571424583	/nfs/dbraw/zinc/42/45/83/571424583.db2.gz	KIRMHYWZANMALI-HXUWFJFHSA-N	-1	1	552.535	5.345	50	10	biogenic	KKCAMM
COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)c1OCCc1ccc2c(c1)CCO2	ZINC000108451048	571425513	/nfs/dbraw/zinc/42/55/13/571425513.db2.gz	COMWOMMKCWRXQY-HSZRJFAPSA-N	-1	1	592.600	5.877	50	10	biogenic	KKCAMM
COC(=O)Cc1c(-c2ccc(Cl)cc2)oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000604405099	1071271888	/nfs/dbraw/zinc/27/18/88/1071271888.db2.gz	WJLMPCNIUOXGAS-UHFFFAOYSA-N	-1	1	508.866	5.065	50	10		KKCAMM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000002123412	551771313	/nfs/dbraw/zinc/77/13/13/551771313.db2.gz	KJEFMGQAVRDSDH-UHFFFAOYSA-N	-1	1	556.603	5.097	50	10		KKCAMM
CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1	ZINC000004016296	552427215	/nfs/dbraw/zinc/42/72/15/552427215.db2.gz	NMEKRRUJMQTWBS-GDLZYMKVSA-N	-1	1	596.772	7.338	50	10		KKCAMM
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)n1-c1ccc(Cl)cc1	ZINC000006144749	552547336	/nfs/dbraw/zinc/54/73/36/552547336.db2.gz	NFJKTLNRUORUFJ-OAQYLSRUSA-N	-1	1	551.064	6.285	50	10		KKCAMM
CCOC(=O)[C@@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000006266919	552575457	/nfs/dbraw/zinc/57/54/57/552575457.db2.gz	YFFGETRTCCAJLJ-NDEPHWFRSA-N	-1	1	594.711	5.294	50	10		KKCAMM
CCCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl	ZINC000008440476	553037735	/nfs/dbraw/zinc/03/77/35/553037735.db2.gz	RHRWJIACOUZYBZ-LFIBNONCSA-N	-1	1	515.224	6.976	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	ZINC000009434481	553263964	/nfs/dbraw/zinc/26/39/64/553263964.db2.gz	UTPMSLKJDPACQN-FYJGNVAPSA-N	-1	1	508.492	6.988	50	10		KKCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccc(Cl)c(C)c1	ZINC000009762286	553303090	/nfs/dbraw/zinc/30/30/90/553303090.db2.gz	YIUIVOXYUNYHDQ-LICLKQGHSA-N	-1	1	514.850	5.366	50	10		KKCAMM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	ZINC000013896103	553494762	/nfs/dbraw/zinc/49/47/62/553494762.db2.gz	MUKKUISAAMFJBW-CAPFRKAQSA-N	-1	1	509.660	7.380	50	10		KKCAMM
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000029492522	553845790	/nfs/dbraw/zinc/84/57/90/553845790.db2.gz	QVTDIRLIHNBIHW-QJNTYGNZSA-N	-1	1	668.263	7.710	50	10		KKCAMM
COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCc1ccc(C(C)C)cc1	ZINC000097972082	553965763	/nfs/dbraw/zinc/96/57/63/553965763.db2.gz	BBUXXPRTIXHYTG-QHCPKHFHSA-N	-1	1	594.616	6.729	50	10	biogenic	KKCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000100148902	554230989	/nfs/dbraw/zinc/23/09/89/554230989.db2.gz	BWOWWNUNCWWQPW-HMAPJEAMSA-N	-1	1	545.846	5.622	50	10		KKCAMM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000100159954	554234388	/nfs/dbraw/zinc/23/43/88/554234388.db2.gz	CUOVGYVLKQOVPT-FYJGNVAPSA-N	-1	1	565.445	5.120	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000100727351	554457772	/nfs/dbraw/zinc/45/77/72/554457772.db2.gz	RBNNCUPYEPLFCE-BVAGGSTKSA-N	-1	1	540.244	7.857	50	10		KKCAMM
Cc1ccc2nc(-c3ccc(N=Cc4c(=O)n(-c5nc6ccccc6s5)[n-]c4-c4ccccc4)cc3)sc2c1	ZINC000100974304	554546024	/nfs/dbraw/zinc/54/60/24/554546024.db2.gz	PTVDCOUIIYOEFV-PTGBLXJZSA-N	-1	1	543.677	7.628	50	10		KKCAMM
COc1ccccc1-n1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000103063468	555244198	/nfs/dbraw/zinc/24/41/98/555244198.db2.gz	ICBZHPOJSUIGEW-UHFFFAOYSA-N	-1	1	551.045	6.162	50	10		KKCAMM
CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc([O-])c(O)cc23)/C(=C\c2ccc3c(c2)OCO3)C1	ZINC000103079319	555257891	/nfs/dbraw/zinc/25/78/91/555257891.db2.gz	UWVGAGGHBUNQKK-OFHGOEMBSA-N	-1	1	605.643	6.987	50	10		KKCAMM
COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000108448364	571424247	/nfs/dbraw/zinc/42/42/47/571424247.db2.gz	STZBCCKTMKALQZ-JOCHJYFZSA-N	-1	1	566.562	5.648	50	10	biogenic	KKCAMM
COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)cc2OC)cc1	ZINC000108449172	571424761	/nfs/dbraw/zinc/42/47/61/571424761.db2.gz	NOAJETMPTNPIFW-NRFANRHFSA-N	-1	1	612.587	5.362	50	10	biogenic	KKCAMM
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1	ZINC000000665076	551516706	/nfs/dbraw/zinc/51/67/06/551516706.db2.gz	SQTIDZGKKIPQOI-VZUCSPMQSA-N	-1	1	561.049	5.351	50	10		KKCAMM
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1	ZINC000000852837	551549807	/nfs/dbraw/zinc/54/98/07/551549807.db2.gz	WRJCUIVJVIKXQY-NYYWCZLTSA-N	-1	1	561.049	5.351	50	10		KKCAMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000002156482	551779746	/nfs/dbraw/zinc/77/97/46/551779746.db2.gz	YWEYATXLFZGAGS-VXLYETTFSA-N	-1	1	572.868	5.348	50	10		KKCAMM
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nnc(-c4ccccc4)c(-c4ccccc4)n3)c(O)c3ccccc23)cc1	ZINC000002878992	552208245	/nfs/dbraw/zinc/20/82/45/552208245.db2.gz	VJHAPDPWILUBIQ-UHFFFAOYSA-N	-1	1	576.703	7.325	50	10		KKCAMM
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[n-]3)c2)cc1	ZINC000004016291	552427300	/nfs/dbraw/zinc/42/73/00/552427300.db2.gz	MSSXVLACVFMYGT-UHFFFAOYSA-N	-1	1	601.918	6.832	50	10		KKCAMM
CCCCC[C@@H](Oc1ccc(C(C)(C)CC)cc1)C(=O)Nc1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1	ZINC000004257966	552453635	/nfs/dbraw/zinc/45/36/35/552453635.db2.gz	BFVGNZRSOCGWNG-GDLZYMKVSA-N	-1	1	568.718	6.821	50	10		KKCAMM
O=S(=O)([N-]c1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccc2ccccc2c1	ZINC000008871917	553171925	/nfs/dbraw/zinc/17/19/25/553171925.db2.gz	ONSLXJVQDWNPQW-UHFFFAOYSA-N	-1	1	514.653	7.260	50	10		KKCAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1	ZINC000008871921	553171937	/nfs/dbraw/zinc/17/19/37/553171937.db2.gz	FJUHBJSLPALLAR-UHFFFAOYSA-N	-1	1	520.701	7.405	50	10		KKCAMM
CC(NCCCCCCCCCCCCNC(C)=C1SC(=S)NC1=O)=C1SC(=S)[N-]C1=O	ZINC000020032678	553666310	/nfs/dbraw/zinc/66/63/10/553666310.db2.gz	RQMOJENWGYSDDH-IQRFGFHNSA-N	-1	1	514.808	5.666	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21	ZINC000025869130	553814355	/nfs/dbraw/zinc/81/43/55/553814355.db2.gz	BYZQZFFMAVDJLT-OXQOHEQNSA-N	-1	1	506.219	6.221	50	10		KKCAMM
O=C([O-])c1ccc(COc2c(Br)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2Br)cc1	ZINC000033358376	553955101	/nfs/dbraw/zinc/95/51/01/553955101.db2.gz	RHGUMFWCGIBAII-GIJQJNRQSA-N	-1	1	634.277	6.300	50	10		KKCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000097971945	553964219	/nfs/dbraw/zinc/96/42/19/553964219.db2.gz	ABESYBAHLMTJFN-QFIPXVFZSA-N	-1	1	608.599	5.583	50	10	biogenic	KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Br)ccc2[O-])cc1OC	ZINC000097976819	553973084	/nfs/dbraw/zinc/97/30/84/553973084.db2.gz	VFEIETOQNYMHJI-YADARESESA-N	-1	1	550.236	6.721	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1	ZINC000100055381	554196268	/nfs/dbraw/zinc/19/62/68/554196268.db2.gz	HEZULKXHAHZRSM-XQNSMLJCSA-N	-1	1	517.473	7.063	50	10		KKCAMM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br	ZINC000101123089	554644148	/nfs/dbraw/zinc/64/41/48/554644148.db2.gz	WXJNWSARURZBQW-HZHRSRAPSA-N	-1	1	597.395	8.015	50	10		KKCAMM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(I)c2[O-])N3)C1	ZINC000101897062	554847211	/nfs/dbraw/zinc/84/72/11/554847211.db2.gz	VUTCNCGEGZKXFZ-KWKYVRJSSA-N	-1	1	566.202	5.217	50	10		KKCAMM
COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1	ZINC000108448393	571424295	/nfs/dbraw/zinc/42/42/95/571424295.db2.gz	UEKYBLGEGGFLEF-QHCPKHFHSA-N	-1	1	550.563	5.942	50	10	biogenic	KKCAMM
COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)cc2OC)cc1	ZINC000108449174	571424741	/nfs/dbraw/zinc/42/47/41/571424741.db2.gz	NOAJETMPTNPIFW-OAQYLSRUSA-N	-1	1	612.587	5.362	50	10	biogenic	KKCAMM
COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000108451534	571425807	/nfs/dbraw/zinc/42/58/07/571425807.db2.gz	IBIZKNUAUUSVCQ-NRFANRHFSA-N	-1	1	612.587	5.362	50	10	biogenic	KKCAMM
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000150343432	571459007	/nfs/dbraw/zinc/45/90/07/571459007.db2.gz	PBORYLQEQCIVON-VXLYETTFSA-N	-1	1	646.313	5.329	50	10		KKCAMM
CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000029492520	1071179565	/nfs/dbraw/zinc/17/95/65/1071179565.db2.gz	QVTDIRLIHNBIHW-BLYFRCJBSA-N	-1	1	668.263	7.710	50	10		KKCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cccc(OCCc3ccc4c(c3)CCO4)c1)CC(=O)O2	ZINC000217677059	1071292238	/nfs/dbraw/zinc/29/22/38/1071292238.db2.gz	ILOOSMBALVTUAC-QFIPXVFZSA-N	-1	1	594.572	5.280	50	10	biogenic	KKCAMM
CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCc2cc(=O)oc3cc([O-])c(O)cc23)/C(=C/c2ccc3c(c2)OCO3)C1	ZINC000097979860	1072838089	/nfs/dbraw/zinc/83/80/89/1072838089.db2.gz	UWVGAGGHBUNQKK-IOKRJLGCSA-N	-1	1	605.643	6.987	50	10		KKCAMM
CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1	ZINC000004016295	552427283	/nfs/dbraw/zinc/42/72/83/552427283.db2.gz	NMEKRRUJMQTWBS-LJAQVGFWSA-N	-1	1	596.772	7.338	50	10		KKCAMM
CCCCC[C@H](Oc1ccc(C(C)(C)CC)cc1)C(=O)Nc1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1	ZINC000004257965	552453663	/nfs/dbraw/zinc/45/36/63/552453663.db2.gz	BFVGNZRSOCGWNG-LJAQVGFWSA-N	-1	1	568.718	6.821	50	10		KKCAMM
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(I)c([O-])c(I)c1	ZINC000008441001	553039259	/nfs/dbraw/zinc/03/92/59/553039259.db2.gz	CCQAHFPZPIUJAL-NYYWCZLTSA-N	-1	1	655.049	5.036	50	10		KKCAMM
CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N(C)CC(=O)c1ccc([O-])c(O)c1	ZINC000008917888	553187293	/nfs/dbraw/zinc/18/72/93/553187293.db2.gz	WVKXNPYQOLWCSH-HKXNZMCVSA-N	-1	1	501.664	5.172	50	10	biogenic	KKCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCOc1ccc(C)cc1C	ZINC000009730560	553302118	/nfs/dbraw/zinc/30/21/18/553302118.db2.gz	RRAXQRLHLNJQPZ-XDHOZWIPSA-N	-1	1	508.459	5.411	50	10		KKCAMM
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000009908156	553316710	/nfs/dbraw/zinc/31/67/10/553316710.db2.gz	ZLWDVMXFYSHIMN-GDNBJRDFSA-N	-1	1	501.347	5.091	50	10		KKCAMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000016694237	553573878	/nfs/dbraw/zinc/57/38/78/553573878.db2.gz	URXGSABCTBZLLV-HMAPJEAMSA-N	-1	1	501.395	5.513	50	10		KKCAMM
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2)cc1	ZINC000095471573	553701427	/nfs/dbraw/zinc/70/14/27/553701427.db2.gz	DVNREPUMLSNZLI-ONUIUJJFSA-N	-1	1	504.612	5.221	50	10		KKCAMM
[O-]c1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000025576982	553810700	/nfs/dbraw/zinc/81/07/00/553810700.db2.gz	UBLCMNDKWHWZGA-JYFHCDHNSA-N	-1	1	505.799	7.204	50	10		KKCAMM
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000033335211	553921626	/nfs/dbraw/zinc/92/16/26/553921626.db2.gz	JAKCVDMHCQRPOK-JAIQZWGSSA-N	-1	1	507.999	5.734	50	10		KKCAMM
O=C([O-])c1ccc(COc2c(Cl)cc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1	ZINC000033358382	553955130	/nfs/dbraw/zinc/95/51/30/553955130.db2.gz	JGQFVHSJSXSYIB-GIJQJNRQSA-N	-1	1	545.375	6.081	50	10		KKCAMM
O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	ZINC000100056311	554196544	/nfs/dbraw/zinc/19/65/44/554196544.db2.gz	HLXMGNQYMLOBHG-AUWJEWJLSA-N	-1	1	564.118	6.042	50	10		KKCAMM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1O	ZINC000100148784	554230911	/nfs/dbraw/zinc/23/09/11/554230911.db2.gz	UTZQTXAHXSALFA-PMICNGQHSA-N	-1	1	528.519	5.107	50	10		KKCAMM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1O	ZINC000100148780	554230921	/nfs/dbraw/zinc/23/09/21/554230921.db2.gz	UTZQTXAHXSALFA-KZSQTELISA-N	-1	1	528.519	5.107	50	10		KKCAMM
[O-]c1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	ZINC000100727333	554457749	/nfs/dbraw/zinc/45/77/49/554457749.db2.gz	CNNUDQWMUBHBKD-OZXSUGGESA-N	-1	1	550.250	7.313	50	10		KKCAMM
COc1cc(Br)c(Br)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O	ZINC000102096639	554879382	/nfs/dbraw/zinc/87/93/82/554879382.db2.gz	NRTXPMMMZHNIJA-KRWDZBQOSA-N	-1	1	531.270	5.183	50	10		KKCAMM
COc1ccc(CNc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2S(=O)(=O)[N-]c2cccc(OC)c2)cc1	ZINC000102730831	555023498	/nfs/dbraw/zinc/02/34/98/555023498.db2.gz	RXDYWEDWEPNXAZ-UHFFFAOYSA-N	-1	1	616.740	5.088	50	10		KKCAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1-c1nnc(SCc2ccc(C)cc2)[n-]c1=O	ZINC000103713273	555464784	/nfs/dbraw/zinc/46/47/84/555464784.db2.gz	PDEURXIGWKVYAW-XQNSMLJCSA-N	-1	1	508.607	5.563	50	10		KKCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1-c1nnc(SCc2ccc(C)cc2)[n-]c1=O	ZINC000103713273	555464788	/nfs/dbraw/zinc/46/47/88/555464788.db2.gz	PDEURXIGWKVYAW-XQNSMLJCSA-N	-1	1	508.607	5.563	50	10		KKCAMM
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1	ZINC000150391875	571474174	/nfs/dbraw/zinc/47/41/74/571474174.db2.gz	JNHHKDJTPOGEBQ-RGVLZGJSSA-N	-1	1	644.341	5.883	50	10		KKCAMM
COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Br)ccc2[O-])cc1	ZINC000248177487	572256270	/nfs/dbraw/zinc/25/62/70/572256270.db2.gz	BAPQQOQUFUHILI-REWPJTCUSA-N	-1	1	530.216	6.168	50	10		KKCAMM