smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](NC(=O)Cn1ccc2c([n-]c(=O)n(CCc3cccc4ccccc43)c2=O)c1=O)C(=O)C(F)(F)F	ZINC000001538432	561676860	/nfs/dbraw/zinc/67/68/60/561676860.db2.gz	WFLDOEIMRXIWPT-OAQYLSRUSA-N	-1	1	542.514	2.520	1	0		KFAFMM
COc1ccccc1NS(=O)(=O)c1ccc2ncn([N-]S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1	ZINC000001651083	561678523	/nfs/dbraw/zinc/67/85/23/561678523.db2.gz	IJSFZGGBGILMRR-UHFFFAOYSA-N	-1	1	520.976	2.792	1	0		KFAFMM
CC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(C)n([N-]S(=O)(=O)c3ccccc3C(C)=O)c(=O)c2c1	ZINC000001651090	561678526	/nfs/dbraw/zinc/67/85/26/561678526.db2.gz	UDRKDFAGYMXHFV-UHFFFAOYSA-N	-1	1	554.606	2.843	1	0		KFAFMM
CO[C@H]1CC[C@H](O)c2c(=O)c3c(oc21)c(O)c1c2c3OCO[C@@H]2Cc2cc3cc(C)n(N)c([O-])c-3c(=O)c2-1	ZINC000002007947	560185445	/nfs/dbraw/zinc/18/54/45/560185445.db2.gz	LYKFTVCDYGGLGW-MELADBBJSA-N	-1	1	520.494	2.687	1	0	in-vitro	KFAFMM
CCOC(=O)c1c([O-])c(C(c2c(Cl)cccc2Cl)c2c(=O)[nH]c(N3CCOCC3)c(C(=O)OCC)c2O)c(=O)[nH]c1N1CCOCC1	ZINC000003925778	561686686	/nfs/dbraw/zinc/68/66/86/561686686.db2.gz	LBDZWXLNLOAFEA-UHFFFAOYSA-N	-1	1	693.537	2.988	1	0		KFAFMM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)P(=O)([O-])[O-]	ZINC000003930584	561687368	/nfs/dbraw/zinc/68/73/68/561687368.db2.gz	KUVXVNIOOYCQJJ-GSDHBNRESA-N	-1	1	608.632	2.808	1	0		KFAFMM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)[P@](=O)([O-])O	ZINC000003930584	561687366	/nfs/dbraw/zinc/68/73/66/561687366.db2.gz	KUVXVNIOOYCQJJ-GSDHBNRESA-N	-1	1	608.632	2.808	1	0		KFAFMM
O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)N4CCN(c5nc6ccccc6s5)CC4)cc3cc-2[n-]1	ZINC000003930880	561687408	/nfs/dbraw/zinc/68/74/08/561687408.db2.gz	QWVXVPSSURNIAY-UHFFFAOYSA-N	-1	1	524.628	2.935	1	0		KFAFMM
CCCCN(C(=O)CC(=O)[O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(O)c([N-]S(C)(=O)=O)c3)CC2)cc1	ZINC000003934239	561688212	/nfs/dbraw/zinc/68/82/12/561688212.db2.gz	LQEINRGWYJSJRV-VWLOTQADSA-N	-1	1	562.689	2.664	1	0		KFAFMM
CCCCCCN(C)CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000003979930	561692347	/nfs/dbraw/zinc/69/23/47/561692347.db2.gz	XIMITGPWYYFUQF-CTNGQTDRSA-N	-1	1	575.711	2.836	1	0	in-vitro	KFAFMM
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCc3ccc4c(n3)NCCC4)cc1)C(=O)[O-])C(=O)C2	ZINC000005493775	561696036	/nfs/dbraw/zinc/69/60/36/561696036.db2.gz	UHBUZZJODALKHF-ROZHPIASSA-N	-1	1	582.723	2.723	1	0		KFAFMM
CCOC(=O)c1c([O-])c(C(c2ccco2)c2c(=O)[nH]c(N3CCCC3)c(C(=O)OCC)c2O)c(=O)[nH]c1N1CCCC1	ZINC000005544082	561696492	/nfs/dbraw/zinc/69/64/92/561696492.db2.gz	HRHXYRQXAVXSOM-UHFFFAOYSA-N	-1	1	582.610	2.801	1	0		KFAFMM
C[C@H](CCC(=O)NCC[P@](=O)([O-])O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000008220023	560207402	/nfs/dbraw/zinc/20/74/02/560207402.db2.gz	BGUPNWPPECTFDP-FREJXKSPSA-N	-1	1	515.628	2.658	1	0	in-vitro	KFAFMM
CCOC(=O)C1=C(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[N-]c2ccccc2N=C1CC	ZINC000013138239	561711527	/nfs/dbraw/zinc/71/15/27/561711527.db2.gz	LLNIOKRKZFYEDZ-UHFFFAOYSA-N	-1	1	512.588	2.820	1	0		KFAFMM
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCCCC4)c3)c(Cl)c2)c(=O)[n-]1	ZINC000013487250	561715160	/nfs/dbraw/zinc/71/51/60/561715160.db2.gz	PPCQNFDLMDWTFL-UHFFFAOYSA-N	-1	1	513.359	2.900	1	0		KFAFMM
O=C(NCCN1CCOCC1)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccccc1)C[P@@](=O)([O-])O	ZINC000013558491	561719289	/nfs/dbraw/zinc/71/92/89/561719289.db2.gz	PENUYKDCGZXPRG-RPBOFIJWSA-N	-1	1	537.638	2.707	1	0		KFAFMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1	ZINC000013561060	561719817	/nfs/dbraw/zinc/71/98/17/561719817.db2.gz	KSLIFUYWHHVFOE-UHFFFAOYSA-N	-1	1	503.455	2.944	1	0		KFAFMM
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NCCO)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)[O-]	ZINC000013583022	561720166	/nfs/dbraw/zinc/72/01/66/561720166.db2.gz	DKKUNNWNELXAKC-DPULPPKLSA-N	-1	1	503.684	2.960	1	0		KFAFMM
CCCCCCN(C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000014164650	561737220	/nfs/dbraw/zinc/73/72/20/561737220.db2.gz	XIMITGPWYYFUQF-FPOVZHCZSA-N	-1	1	575.711	2.836	1	0	in-vitro	KFAFMM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)P(=O)([O-])[O-]	ZINC000014276166	561738863	/nfs/dbraw/zinc/73/88/63/561738863.db2.gz	KUVXVNIOOYCQJJ-KKUQBAQOSA-N	-1	1	608.632	2.808	1	0		KFAFMM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)[P@](=O)([O-])O	ZINC000014276166	561738861	/nfs/dbraw/zinc/73/88/61/561738861.db2.gz	KUVXVNIOOYCQJJ-KKUQBAQOSA-N	-1	1	608.632	2.808	1	0		KFAFMM
CC(C)[C@H](NC(=O)Cn1ccc2c([n-]c(=O)n(CCc3cccc4ccccc43)c2=O)c1=O)C(=O)C(F)(F)F	ZINC000014278044	561739067	/nfs/dbraw/zinc/73/90/67/561739067.db2.gz	WFLDOEIMRXIWPT-NRFANRHFSA-N	-1	1	542.514	2.520	1	0		KFAFMM
C[C@H](Cc1ccc(OC[P@](=O)([O-])c2ccccc2)cc1)[NH2+]C[C@H](O)COc1ccc(O)c([N-]S(C)(=O)=O)c1	ZINC000014300113	561739540	/nfs/dbraw/zinc/73/95/40/561739540.db2.gz	OMJGVUMTYYCOBO-CTNGQTDRSA-N	-1	1	564.597	2.656	1	0		KFAFMM
O=C([O-])c1cccc(O)c1Cc1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944128	561742181	/nfs/dbraw/zinc/74/21/81/561742181.db2.gz	JKBLKEZCQDCPCX-PXDATVDWSA-N	-1	1	536.537	2.505	1	0		KFAFMM
CCCCCCN(C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000014947378	561744686	/nfs/dbraw/zinc/74/46/86/561744686.db2.gz	XIMITGPWYYFUQF-PZJWPPBQSA-N	-1	1	575.711	2.836	1	0	in-vitro	KFAFMM
O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCN2CCOCC2)ccc2c1CCCC2	ZINC000014964709	561749416	/nfs/dbraw/zinc/74/94/16/561749416.db2.gz	VCEPPNSBQSPVQM-UHFFFAOYSA-N	-1	1	502.593	2.518	1	0		KFAFMM
O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCCN2CCOCC2)ccc2c1CCCC2	ZINC000014964713	561749438	/nfs/dbraw/zinc/74/94/38/561749438.db2.gz	IVSHHGXLATWYOM-UHFFFAOYSA-N	-1	1	516.620	2.908	1	0		KFAFMM
CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1	ZINC000014974813	561752143	/nfs/dbraw/zinc/75/21/43/561752143.db2.gz	TYBUCKMEAMKGDB-UHFFFAOYSA-N	-1	1	504.996	2.788	1	0		KFAFMM
CC(C)C[C@H](NC(=O)c1ccc(N2CCC(C[NH2+]C[C@H](O)c3ccc(O)c([N-]S(C)(=O)=O)c3)CC2)cc1)C(=O)[O-]	ZINC000025419160	561762811	/nfs/dbraw/zinc/76/28/11/561762811.db2.gz	GNYDCKQBXGHOOR-AHWVRZQESA-N	-1	1	576.716	2.532	1	0		KFAFMM
CCCOc1ccc(S(=O)(=O)N2CCC(C[P@](=O)([O-])O)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1	ZINC000026186921	561772774	/nfs/dbraw/zinc/77/27/74/561772774.db2.gz	LIZYBSSXAONWEJ-UHFFFAOYSA-N	-1	1	567.605	2.643	1	0		KFAFMM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000026396490	561787157	/nfs/dbraw/zinc/78/71/57/561787157.db2.gz	DMUAWZXRYTUAPH-PARVHPLESA-N	-1	1	591.713	2.790	1	0		KFAFMM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000026396494	561787171	/nfs/dbraw/zinc/78/71/71/561787171.db2.gz	DMUAWZXRYTUAPH-CTHUERKZSA-N	-1	1	591.713	2.790	1	0		KFAFMM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000026396499	561787167	/nfs/dbraw/zinc/78/71/67/561787167.db2.gz	DMUAWZXRYTUAPH-DTJIFZNFSA-N	-1	1	591.713	2.790	1	0		KFAFMM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000026396505	561787129	/nfs/dbraw/zinc/78/71/29/561787129.db2.gz	DMUAWZXRYTUAPH-MGMJNFTGSA-N	-1	1	591.713	2.790	1	0		KFAFMM
CCOC(=O)C[P@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C	ZINC000026490045	561793159	/nfs/dbraw/zinc/79/31/59/561793159.db2.gz	GSDBAIBPJKAZKN-FCEUIQTBSA-N	-1	1	519.620	2.636	1	0		KFAFMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000026501843	561795654	/nfs/dbraw/zinc/79/56/54/561795654.db2.gz	QHWVLGPERLBSIQ-KCHLEUMXSA-N	-1	1	583.645	2.787	1	0		KFAFMM
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(C[P@](=O)([O-])O)cc2)/C=C/C[C@@H](CC2=c3ccccc3=CCC2)CNC1=O	ZINC000026569854	561797917	/nfs/dbraw/zinc/79/79/17/561797917.db2.gz	BTUVYXNBILEQJL-GZNVFMSSSA-N	-1	1	690.778	2.525	1	0		KFAFMM
O=C([O-])c1cccc(O)c1Cc1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026577881	561802461	/nfs/dbraw/zinc/80/24/61/561802461.db2.gz	JKBLKEZCQDCPCX-SQJMNOBHSA-N	-1	1	536.537	2.505	1	0		KFAFMM
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(C[P@](=O)([O-])O)cc2)NC(=O)C[C@@H](Cc2cccc3ccccc32)CNC1=O	ZINC000026638459	561806191	/nfs/dbraw/zinc/80/61/91/561806191.db2.gz	VVFFVOVDUTZPET-FRDKBHKLSA-N	-1	1	705.749	2.623	1	0		KFAFMM
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])cc3)CC2)ccc1O	ZINC000026738723	561817737	/nfs/dbraw/zinc/81/77/37/561817737.db2.gz	BNCCDXYOEGWOOI-YTMVLYRLSA-N	-1	1	610.733	2.729	1	0		KFAFMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NCc1ccc(O)cc1)C(C)C)C(=O)[O-]	ZINC000026829489	561822627	/nfs/dbraw/zinc/82/26/27/561822627.db2.gz	UQRQADCFPLBNTG-VABKMULXSA-N	-1	1	501.649	2.556	1	0		KFAFMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NCc1cccc(O)c1)C(C)C)C(=O)[O-]	ZINC000026832821	561823338	/nfs/dbraw/zinc/82/33/38/561823338.db2.gz	HSNJAPHNUSYJGH-VABKMULXSA-N	-1	1	501.649	2.556	1	0		KFAFMM
O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3cc-2[n-]1	ZINC000026958248	561829339	/nfs/dbraw/zinc/82/93/39/561829339.db2.gz	YSTKKUGEIQTKPZ-UHFFFAOYSA-N	-1	1	516.023	2.974	1	0		KFAFMM
COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000027108400	561840710	/nfs/dbraw/zinc/84/07/10/561840710.db2.gz	BYFWUSSAVWEOTB-OZXSUGGESA-N	-1	1	543.598	2.648	1	0		KFAFMM
CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@](=O)([O-])O)cc1	ZINC000027327407	561853890	/nfs/dbraw/zinc/85/38/90/561853890.db2.gz	PYYFASWNOTXKCA-UHFFFAOYSA-N	-1	1	701.802	2.917	1	0		KFAFMM
CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@](=O)([O-])O)cc1	ZINC000027328817	561854301	/nfs/dbraw/zinc/85/43/01/561854301.db2.gz	HOOZDGBBITXVTG-UHFFFAOYSA-N	-1	1	667.785	2.576	1	0		KFAFMM
CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC)CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@](=O)([O-])O)cc1	ZINC000027329021	561854417	/nfs/dbraw/zinc/85/44/17/561854417.db2.gz	VEZNCBHCOQYDNK-UHFFFAOYSA-N	-1	1	667.785	2.576	1	0		KFAFMM
CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(C[P@](=O)([O-])O)cc1	ZINC000027329060	561854436	/nfs/dbraw/zinc/85/44/36/561854436.db2.gz	XSIHRSDNQZYJHO-UHFFFAOYSA-N	-1	1	701.802	2.917	1	0		KFAFMM
CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(C[P@](=O)([O-])O)cc1	ZINC000027329676	561854528	/nfs/dbraw/zinc/85/45/28/561854528.db2.gz	BEYIGOWWCIPASX-UHFFFAOYSA-N	-1	1	701.802	2.917	1	0		KFAFMM
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)[O-]	ZINC000027632011	561874009	/nfs/dbraw/zinc/87/40/09/561874009.db2.gz	JXFPKICARFQMQZ-YGPDHOBYSA-N	-1	1	555.635	2.521	1	0		KFAFMM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(=O)[O-]	ZINC000027740902	561882512	/nfs/dbraw/zinc/88/25/12/561882512.db2.gz	RMLJJALZEPRGDU-PVHODMMVSA-N	-1	1	546.668	2.891	1	0		KFAFMM
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(=O)[O-]	ZINC000027985080	561892220	/nfs/dbraw/zinc/89/22/20/561892220.db2.gz	RVMCEJFTWDWACY-IGKIAQTJSA-N	-1	1	555.635	2.583	1	0		KFAFMM
CCCCCCN(C)CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028136084	561906608	/nfs/dbraw/zinc/90/66/08/561906608.db2.gz	XIMITGPWYYFUQF-TZIWHRDSSA-N	-1	1	575.711	2.836	1	0	in-vitro	KFAFMM
COc1ccc2c(cccc2CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(NC(=O)[C@H](Cc3ccc(C[P@](=O)([O-])O)cc3)NC(C)=O)CCCCC2)c1	ZINC000028224533	561907778	/nfs/dbraw/zinc/90/77/78/561907778.db2.gz	KROYSCLPCFKFPY-ACHIHNKUSA-N	-1	1	737.791	2.502	1	0		KFAFMM
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3O)[nH]c2c1	ZINC000028571118	561939314	/nfs/dbraw/zinc/93/93/14/561939314.db2.gz	JHBQOFJNFFBKHW-CYBMUJFWSA-N	-1	1	518.486	2.726	1	0		KFAFMM
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3O)[nH]c2c1	ZINC000028571119	561939212	/nfs/dbraw/zinc/93/92/12/561939212.db2.gz	JHBQOFJNFFBKHW-ZDUSSCGKSA-N	-1	1	518.486	2.726	1	0		KFAFMM
CSCC[C@H](NC(=O)CN1C(=O)N(Cc2cnc[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-]	ZINC000028571120	561939231	/nfs/dbraw/zinc/93/92/31/561939231.db2.gz	IJXSXCBEAJLFHS-NBGIEHNGSA-N	-1	1	509.588	2.565	1	0		KFAFMM
CSCC[C@H](NC(=O)CN1C(=O)N(Cc2cnc[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-]	ZINC000028571121	561939244	/nfs/dbraw/zinc/93/92/44/561939244.db2.gz	IJXSXCBEAJLFHS-CPJSRVTESA-N	-1	1	509.588	2.565	1	0		KFAFMM
CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2[O-])[C@@H](C)OC(=O)[C@H](C(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000028701654	561946940	/nfs/dbraw/zinc/94/69/40/561946940.db2.gz	NBVBHNUFSYRTEN-OHALGSNASA-N	-1	1	733.812	2.588	1	0		KFAFMM
CC[C@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2[O-])[C@@H](C)OC(=O)[C@H](C(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000028701656	561946923	/nfs/dbraw/zinc/94/69/23/561946923.db2.gz	NBVBHNUFSYRTEN-YUZPYZPWSA-N	-1	1	733.812	2.588	1	0	in-vitro	KFAFMM
COc1ccnc(NC[C@@H]2C[C@@H](OCC(=O)NC[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])CN2C(=O)OCc2ccccc2)c1	ZINC000028710167	561950993	/nfs/dbraw/zinc/95/09/93/561950993.db2.gz	CGSLGBRMSMBNMX-ITHJLQSDSA-N	-1	1	683.784	2.772	1	0		KFAFMM
COc1ccnc(NC[C@@H]2C[C@@H](OCC(=O)NC[C@H](NC(=O)c3c(C)cc(C)cc3C)C(=O)[O-])CN2C(=O)CC(C)(C)C)c1	ZINC000028710178	561951101	/nfs/dbraw/zinc/95/11/01/561951101.db2.gz	ZWFUXTUZVCZUMC-CAOCKLPOSA-N	-1	1	611.740	2.849	1	0		KFAFMM
COc1ccnc(NC[C@@H]2C[C@@H](OCC(=O)NC[C@H](NC(=O)C3(C)CCCCC3)C(=O)[O-])CN2C(=O)OCc2ccccc2)c1	ZINC000028710182	561951147	/nfs/dbraw/zinc/95/11/47/561951147.db2.gz	IPSRDFZOWABPRU-DMDYGQEQSA-N	-1	1	625.723	2.954	1	0		KFAFMM
COc1ccnc(NC[C@@H]2C[C@@H](OCC(=O)NC[C@H](NC(=O)C3(C)CCCCC3)C(=O)[O-])CN2C(=O)CC(C)(C)C)c1	ZINC000028710183	561951157	/nfs/dbraw/zinc/95/11/57/561951157.db2.gz	LTEAZKWKEALJQD-WWNPGLIZSA-N	-1	1	589.734	2.580	1	0		KFAFMM
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](COc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977639	561987327	/nfs/dbraw/zinc/98/73/27/561987327.db2.gz	DIOXTSKLKSLESP-KWTBFXGESA-N	-1	1	678.786	2.608	1	0		KFAFMM
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](COc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977652	561987275	/nfs/dbraw/zinc/98/72/75/561987275.db2.gz	DIOXTSKLKSLESP-GCCWUPBUSA-N	-1	1	678.786	2.608	1	0		KFAFMM
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](COc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977658	561987295	/nfs/dbraw/zinc/98/72/95/561987295.db2.gz	DIOXTSKLKSLESP-NJTBCWBZSA-N	-1	1	678.786	2.608	1	0		KFAFMM
CC(C)(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1=O	ZINC000029038374	561988804	/nfs/dbraw/zinc/98/88/04/561988804.db2.gz	KOVJEUIMUQYCPY-UHFFFAOYSA-N	-1	1	531.616	2.539	1	0		KFAFMM
CCC(C)(C)Cn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1=O	ZINC000029038384	561988786	/nfs/dbraw/zinc/98/87/86/561988786.db2.gz	CKWYKIMITHNOQG-UHFFFAOYSA-N	-1	1	531.616	2.539	1	0		KFAFMM
CC[C@@H](C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1=O	ZINC000029038389	561988857	/nfs/dbraw/zinc/98/88/57/561988857.db2.gz	BWXVWSIVWWPGKL-CYBMUJFWSA-N	-1	1	531.616	2.539	1	0		KFAFMM
CC[C@H](C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c1=O	ZINC000029038391	561988822	/nfs/dbraw/zinc/98/88/22/561988822.db2.gz	BWXVWSIVWWPGKL-ZDUSSCGKSA-N	-1	1	531.616	2.539	1	0		KFAFMM
NC(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CC3CCCCC3)c1=O)N2	ZINC000029038403	561988792	/nfs/dbraw/zinc/98/87/92/561988792.db2.gz	LVQQCLMPJSUOEH-UHFFFAOYSA-N	-1	1	543.627	2.683	1	0		KFAFMM
Cc1ccc(-c2nn(CCC(C)(C)C)c(=O)c(C3=NS(=O)(=O)c4cc(OCC(N)=O)ccc4N3)c2[O-])s1	ZINC000029038428	561988960	/nfs/dbraw/zinc/98/89/60/561988960.db2.gz	CQZMTBCBUSLROY-UHFFFAOYSA-N	-1	1	545.643	2.847	1	0		KFAFMM
CC(C)(C)CCn1nc(C2=CCCC2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029042870	561991637	/nfs/dbraw/zinc/99/16/37/561991637.db2.gz	RWNCIIKAMWVKLG-UHFFFAOYSA-N	-1	1	535.648	2.885	1	0		KFAFMM
CC(C)CCn1nc(CC2CCCC2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029042949	561991807	/nfs/dbraw/zinc/99/18/07/561991807.db2.gz	AZMJERYDFSFNSJ-UHFFFAOYSA-N	-1	1	537.664	2.660	1	0		KFAFMM
CC(C)(C)CCn1nc(CC(C)(C)C)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029042953	561991801	/nfs/dbraw/zinc/99/18/01/561991801.db2.gz	CRDSEKPXMWCCTN-UHFFFAOYSA-N	-1	1	539.680	2.906	1	0		KFAFMM
CC(C)(C)CCn1nc(CC(C)(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029042953	561991800	/nfs/dbraw/zinc/99/18/00/561991800.db2.gz	CRDSEKPXMWCCTN-UHFFFAOYSA-N	-1	1	539.680	2.906	1	0		KFAFMM
CC(C)CCn1nc(CC(C)(C)C)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029043037	561991780	/nfs/dbraw/zinc/99/17/80/561991780.db2.gz	PEBFIVIHOBYECP-UHFFFAOYSA-N	-1	1	525.653	2.516	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(N(C)S(C)(=O)=O)ccc3N2)c1=O	ZINC000029043127	561991951	/nfs/dbraw/zinc/99/19/51/561991951.db2.gz	ZYZXNEQQUVOTPI-UHFFFAOYSA-N	-1	1	551.672	2.680	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029043133	561991957	/nfs/dbraw/zinc/99/19/57/561991957.db2.gz	UNKTYNIAIAATDF-UHFFFAOYSA-N	-1	1	537.645	2.656	1	0	in-vitro	KFAFMM
COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(N2C=C(C(=O)NC3CC3)NN2)c1	ZINC000029044357	561992276	/nfs/dbraw/zinc/99/22/76/561992276.db2.gz	CNIYPPQEAOKUCO-UHFFFAOYSA-N	-1	1	542.662	2.874	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(S(=O)(=O)N(C)C)ccc3N2)c1=O	ZINC000029046171	561992845	/nfs/dbraw/zinc/99/28/45/561992845.db2.gz	MPBFILOXUKLJLC-UHFFFAOYSA-N	-1	1	551.672	2.535	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(Cc3ccsc3)c1=O)N2	ZINC000029046322	561992822	/nfs/dbraw/zinc/99/28/22/561992822.db2.gz	KEDAXDZKUGISOU-UHFFFAOYSA-N	-1	1	563.664	2.720	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3N2)c1=O	ZINC000029046324	561992852	/nfs/dbraw/zinc/99/28/52/561992852.db2.gz	FDZYGDHUNQLBNP-UHFFFAOYSA-N	-1	1	522.630	2.688	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(Cc3ccc(F)cc3)c1=O)N2	ZINC000029046327	561992875	/nfs/dbraw/zinc/99/28/75/561992875.db2.gz	SIRVFLHRTOQLKW-UHFFFAOYSA-N	-1	1	575.625	2.797	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(CS(C)(=O)=O)ccc3N2)c1=O	ZINC000029046335	561992826	/nfs/dbraw/zinc/99/28/26/561992826.db2.gz	RIXWFJXKXDQNRQ-UHFFFAOYSA-N	-1	1	536.657	2.829	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(N4CCCS4(=O)=O)ccc3N2)c1=O	ZINC000029046455	561992890	/nfs/dbraw/zinc/99/28/90/561992890.db2.gz	QIJJBUOXNZDPGW-UHFFFAOYSA-N	-1	1	563.683	2.824	1	0		KFAFMM
COCN(c1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CCC(C)C)c1=O)N2)S(C)(=O)=O	ZINC000029046464	561993028	/nfs/dbraw/zinc/99/30/28/561993028.db2.gz	KPCLGLHETGDCKN-UHFFFAOYSA-N	-1	1	581.698	2.654	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(Cc3ccccc3)c1=O)N2	ZINC000029046573	561993047	/nfs/dbraw/zinc/99/30/47/561993047.db2.gz	LWEULLDEVBUDBA-UHFFFAOYSA-N	-1	1	557.635	2.658	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CCC3CCC3)c1=O)N2	ZINC000029046703	561992956	/nfs/dbraw/zinc/99/29/56/561992956.db2.gz	NGRZKFSNLAEIDT-UHFFFAOYSA-N	-1	1	549.656	2.800	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CC3(C(F)(F)F)CC3)c1=O)N2	ZINC000029046709	561992977	/nfs/dbraw/zinc/99/29/77/561992977.db2.gz	OWHFDRSVDOOTEO-UHFFFAOYSA-N	-1	1	589.599	2.952	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CC3CCCC3)c1=O)N2	ZINC000029046834	561993076	/nfs/dbraw/zinc/99/30/76/561993076.db2.gz	ASNLTOZCFAXTIF-UHFFFAOYSA-N	-1	1	549.656	2.800	1	0		KFAFMM
CC(C)(C)Cn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029046842	561993037	/nfs/dbraw/zinc/99/30/37/561993037.db2.gz	SEEAVMVHPRFALM-UHFFFAOYSA-N	-1	1	537.645	2.656	1	0		KFAFMM
CC[C@@H](C)n1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029046994	561993194	/nfs/dbraw/zinc/99/31/94/561993194.db2.gz	AJHJVPVCTKBBDI-LLVKDONJSA-N	-1	1	523.618	2.581	1	0		KFAFMM
CC[C@H](C)n1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029046997	561993111	/nfs/dbraw/zinc/99/31/11/561993111.db2.gz	AJHJVPVCTKBBDI-NSHDSACASA-N	-1	1	523.618	2.581	1	0		KFAFMM
CCC[C@@H](C)n1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029047144	561993106	/nfs/dbraw/zinc/99/31/06/561993106.db2.gz	UZHDKFPKWCGTQM-GFCCVEGCSA-N	-1	1	537.645	2.971	1	0		KFAFMM
CCC[C@H](C)n1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029047147	561993129	/nfs/dbraw/zinc/99/31/29/561993129.db2.gz	UZHDKFPKWCGTQM-LBPRGKRZSA-N	-1	1	537.645	2.971	1	0		KFAFMM
CCC(C)(C)c1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047545	561993328	/nfs/dbraw/zinc/99/33/28/561993328.db2.gz	YDPIHNUXRQOIJM-UHFFFAOYSA-N	-1	1	525.653	2.615	1	0		KFAFMM
CC(C)CCc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047548	561993285	/nfs/dbraw/zinc/99/32/85/561993285.db2.gz	OZBDIWCFKMFKFC-UHFFFAOYSA-N	-1	1	525.653	2.516	1	0		KFAFMM
CC(=Cc1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-])C(F)(F)F	ZINC000029047694	561993304	/nfs/dbraw/zinc/99/33/04/561993304.db2.gz	SBZFOUCYBBGDBW-FMIVXFBMSA-N	-1	1	563.580	2.893	1	0		KFAFMM
CC(C)CCn1nc(CC2=CCCC2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029047827	561993335	/nfs/dbraw/zinc/99/33/35/561993335.db2.gz	ZYVFNRJFFHIOAQ-UHFFFAOYSA-N	-1	1	535.648	2.580	1	0		KFAFMM
CC(C)CCn1nc(C2CCCC2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029047945	561993291	/nfs/dbraw/zinc/99/32/91/561993291.db2.gz	BCYSEISPSXCDAH-UHFFFAOYSA-N	-1	1	523.637	2.585	1	0		KFAFMM
CC(C)CCn1nc(-c2ccccc2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029048047	561993476	/nfs/dbraw/zinc/99/34/76/561993476.db2.gz	IONQWEVUSNASRV-UHFFFAOYSA-N	-1	1	531.616	2.595	1	0		KFAFMM
CC(C)CCn1nc(-c2ccccc2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029048047	561993475	/nfs/dbraw/zinc/99/34/75/561993475.db2.gz	IONQWEVUSNASRV-UHFFFAOYSA-N	-1	1	531.616	2.595	1	0		KFAFMM
CC(C)CCn1nc(C2CCCCC2)c([O-])c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029048050	561993513	/nfs/dbraw/zinc/99/35/13/561993513.db2.gz	MCCDRQLGNMTBSH-UHFFFAOYSA-N	-1	1	537.664	2.975	1	0		KFAFMM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)c2nn[n-]n2)cc1	ZINC000029127822	562000322	/nfs/dbraw/zinc/00/03/22/562000322.db2.gz	FOUDHXTZQKEKBC-INIZCTEOSA-N	-1	1	500.346	2.990	1	0		KFAFMM
CC[C@@H](Oc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CCC(C)C)c1=O)N2)C(N)=O	ZINC000029128460	562000896	/nfs/dbraw/zinc/00/08/96/562000896.db2.gz	DDKWEVPYJSKSCI-MRXNPFEDSA-N	-1	1	545.643	2.927	1	0		KFAFMM
CC[C@H](Oc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c(-c3cccs3)nn(CCC(C)C)c1=O)N2)C(N)=O	ZINC000029128461	562000866	/nfs/dbraw/zinc/00/08/66/562000866.db2.gz	DDKWEVPYJSKSCI-INIZCTEOSA-N	-1	1	545.643	2.927	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(OC(C)(C)C(N)=O)ccc3N2)c1=O	ZINC000029128463	562000802	/nfs/dbraw/zinc/00/08/02/562000802.db2.gz	YKGKSPOZZNTTRL-UHFFFAOYSA-N	-1	1	545.643	2.927	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(O[C@@H](C)C(N)=O)ccc3N2)c1=O	ZINC000029128515	562001006	/nfs/dbraw/zinc/00/10/06/562001006.db2.gz	BPHLZVCJUQBQLM-ZDUSSCGKSA-N	-1	1	531.616	2.537	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(O[C@H](C)C(N)=O)ccc3N2)c1=O	ZINC000029128516	562000938	/nfs/dbraw/zinc/00/09/38/562000938.db2.gz	BPHLZVCJUQBQLM-CYBMUJFWSA-N	-1	1	531.616	2.537	1	0	in-vitro	KFAFMM
CN1CCN(CCN(c2cccn([O-])c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1	ZINC000029128718	562001183	/nfs/dbraw/zinc/00/11/83/562001183.db2.gz	JGESVFFMSKZGDK-UHFFFAOYSA-N	-1	1	519.023	2.974	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(C=CC(N)=O)ccc3N2)c1=O	ZINC000029128974	562001420	/nfs/dbraw/zinc/00/14/20/562001420.db2.gz	RGCHCVGSLKVFLI-VURMDHGXSA-N	-1	1	513.601	2.783	1	0		KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(CCC(N)=O)ccc3N2)c1=O	ZINC000029129012	562001610	/nfs/dbraw/zinc/00/16/10/562001610.db2.gz	FAAJUDKQXJTOOD-UHFFFAOYSA-N	-1	1	515.617	2.702	1	0		KFAFMM
COc1cc(CN(CC[N@@H+](CC(=O)[O-])Cc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc(OC)c1OC	ZINC000029212754	562005997	/nfs/dbraw/zinc/00/59/97/562005997.db2.gz	ZSWDVPLSRYBEAB-UHFFFAOYSA-N	-1	1	522.551	2.805	1	0		KFAFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029319837	562012865	/nfs/dbraw/zinc/01/28/65/562012865.db2.gz	XREIFIISJJEDKU-URORMMCBSA-N	-1	1	510.594	2.803	1	0		KFAFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000029320420	562013031	/nfs/dbraw/zinc/01/30/31/562013031.db2.gz	FLFUWPSHMZLVFK-URORMMCBSA-N	-1	1	526.593	2.509	1	0		KFAFMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@](=O)([O-])O	ZINC000029403267	562020168	/nfs/dbraw/zinc/02/01/68/562020168.db2.gz	GVAHUOPZUZXLJB-FKWFRFQNSA-N	-1	1	682.715	2.632	1	0		KFAFMM
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@](=O)([O-])O	ZINC000029403272	562020162	/nfs/dbraw/zinc/02/01/62/562020162.db2.gz	GVAHUOPZUZXLJB-QUAHOIDUSA-N	-1	1	682.715	2.632	1	0		KFAFMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-]	ZINC000029403276	562020127	/nfs/dbraw/zinc/02/01/27/562020127.db2.gz	RGBKGYRQVGEQJB-FKWFRFQNSA-N	-1	1	666.716	2.921	1	0		KFAFMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-]	ZINC000029403276	562020126	/nfs/dbraw/zinc/02/01/26/562020126.db2.gz	RGBKGYRQVGEQJB-FKWFRFQNSA-N	-1	1	666.716	2.921	1	0		KFAFMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-]	ZINC000029403276	562020123	/nfs/dbraw/zinc/02/01/23/562020123.db2.gz	RGBKGYRQVGEQJB-FKWFRFQNSA-N	-1	1	666.716	2.921	1	0		KFAFMM
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-]	ZINC000029403281	562020148	/nfs/dbraw/zinc/02/01/48/562020148.db2.gz	RGBKGYRQVGEQJB-QUAHOIDUSA-N	-1	1	666.716	2.921	1	0		KFAFMM
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-]	ZINC000029403281	562020147	/nfs/dbraw/zinc/02/01/47/562020147.db2.gz	RGBKGYRQVGEQJB-QUAHOIDUSA-N	-1	1	666.716	2.921	1	0		KFAFMM
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-]	ZINC000029403281	562020145	/nfs/dbraw/zinc/02/01/45/562020145.db2.gz	RGBKGYRQVGEQJB-QUAHOIDUSA-N	-1	1	666.716	2.921	1	0		KFAFMM
CCCCCNC(=O)[C@H](Cc1ccc(OCc2nn[nH]n2)c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000029474936	562026303	/nfs/dbraw/zinc/02/63/03/562026303.db2.gz	OQLPCYRDICMSFP-ZEQRLZLVSA-N	-1	1	623.711	2.947	1	0		KFAFMM
CC(C)C[C@H](NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029486197	562028364	/nfs/dbraw/zinc/02/83/64/562028364.db2.gz	LMSKYJYEGZTINB-JSRHHAARSA-N	-1	1	664.804	2.780	1	0		KFAFMM
O=C(OC[C@@H]1O[C@H](c2nn[n-]n2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000031871665	562036614	/nfs/dbraw/zinc/03/66/14/562036614.db2.gz	LYFJYZSVRFEBQB-BJESRGMDSA-N	-1	1	514.494	2.948	1	0		KFAFMM
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Br)c([O-])cc3O)CC2)cc1	ZINC000034717861	562040017	/nfs/dbraw/zinc/04/00/17/562040017.db2.gz	BUGJHCBGZXPGCA-UHFFFAOYSA-N	-1	1	507.410	2.976	1	0		KFAFMM
CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(=O)OCc3ccccc3)c(=O)[n-]c2c1=O)C(=O)C(F)(F)F	ZINC000036241786	562052033	/nfs/dbraw/zinc/05/20/33/562052033.db2.gz	DOAODSNRUDGXIN-DEOSSOPVSA-N	-1	1	612.561	2.534	1	0		KFAFMM
CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(=O)OCc3ccccc3)c(=O)[n-]c2c1=O)C(=O)C(F)(F)F	ZINC000036241788	562052009	/nfs/dbraw/zinc/05/20/09/562052009.db2.gz	DOAODSNRUDGXIN-XMMPIXPASA-N	-1	1	612.561	2.534	1	0		KFAFMM
COc1ccc(Cn2c(=O)[n-]c3c(cc(-c4ccccc4)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c3=O)c2=O)cc1	ZINC000036241811	562051992	/nfs/dbraw/zinc/05/19/92/562051992.db2.gz	HXJSJCIHKJGWCS-QHCPKHFHSA-N	-1	1	584.551	2.848	1	0		KFAFMM
COc1ccc(Cn2c(=O)[n-]c3c(cc(-c4ccccc4)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c3=O)c2=O)cc1	ZINC000036241813	562052046	/nfs/dbraw/zinc/05/20/46/562052046.db2.gz	HXJSJCIHKJGWCS-HSZRJFAPSA-N	-1	1	584.551	2.848	1	0		KFAFMM
O=C([O-])C[C@H](Cc1cc(OCCc2ccc3c([nH+]2)NCCC3)n(CC(=O)[O-])n1)c1ccc2c(c1)OCO2	ZINC000036269257	562052935	/nfs/dbraw/zinc/05/29/35/562052935.db2.gz	SHCPBSMGQZIVTA-SFHVURJKSA-N	-1	1	508.531	2.872	1	0		KFAFMM
O=C([O-])C[C@@H](Cc1cc(OCCc2ccc3c([nH+]2)NCCC3)n(CC(=O)[O-])n1)c1ccc2c(c1)OCO2	ZINC000036269261	562052927	/nfs/dbraw/zinc/05/29/27/562052927.db2.gz	SHCPBSMGQZIVTA-GOSISDBHSA-N	-1	1	508.531	2.872	1	0		KFAFMM
CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2cnc[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-]	ZINC000036330403	562055840	/nfs/dbraw/zinc/05/58/40/562055840.db2.gz	OEMBXAJIJLOISQ-CUNXSJBXSA-N	-1	1	537.642	2.998	1	0		KFAFMM
CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2cnc[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-]	ZINC000036330404	562055744	/nfs/dbraw/zinc/05/57/44/562055744.db2.gz	OEMBXAJIJLOISQ-WXVAWEFUSA-N	-1	1	537.642	2.998	1	0		KFAFMM
CSCC[C@H](NC(=O)CN1C(=O)N(CCc2cnc[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-]	ZINC000036330437	562055785	/nfs/dbraw/zinc/05/57/85/562055785.db2.gz	KAZRGJXVBVPWLA-LVXARBLLSA-N	-1	1	523.615	2.608	1	0		KFAFMM
CSCC[C@H](NC(=O)CN1C(=O)N(CCc2cnc[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-]	ZINC000036330438	562055820	/nfs/dbraw/zinc/05/58/20/562055820.db2.gz	KAZRGJXVBVPWLA-HFZDXXHNSA-N	-1	1	523.615	2.608	1	0		KFAFMM
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3C(=O)N3CCN(CC(=O)[O-])CC3)cc2o1	ZINC000040936148	562085104	/nfs/dbraw/zinc/08/51/04/562085104.db2.gz	GIGIMGKAFFGNRE-UGKGYDQZSA-N	-1	1	523.565	2.590	1	0		KFAFMM
Cn1c(=O)cc(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000043059333	562645112	/nfs/dbraw/zinc/64/51/12/562645112.db2.gz	UQAJLTTZWHXNJH-UHFFFAOYSA-N	-1	1	521.643	2.987	1	0		KFAFMM
CCCc1c(OC)cc(O)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[n-]c12	ZINC000043119156	562646028	/nfs/dbraw/zinc/64/60/28/562646028.db2.gz	DTEATUMPIBRIJJ-UHFFFAOYSA-N	-1	1	516.620	2.592	1	0		KFAFMM
CCCCc1c(OC)cc(O)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[n-]c12	ZINC000043119881	562646056	/nfs/dbraw/zinc/64/60/56/562646056.db2.gz	JFPKHKJAPVUEDY-UHFFFAOYSA-N	-1	1	530.647	2.982	1	0		KFAFMM
O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1)c1ccc2[nH]c([O-])cc(=O)c2c1	ZINC000043201618	562646899	/nfs/dbraw/zinc/64/68/99/562646899.db2.gz	JAUUPTJHJIUVMZ-QHCPKHFHSA-N	-1	1	557.998	2.563	1	0	in-vitro	KFAFMM
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CCCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)[C@H](C)CC)C(=O)[O-]	ZINC000044352103	562655019	/nfs/dbraw/zinc/65/50/19/562655019.db2.gz	WGYDJUMLABBZSI-VWIQTCEGSA-N	-1	1	641.810	2.981	1	0		KFAFMM
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@H](C)c3ccccn3)[n-]c(=O)c2nn1C	ZINC000044358832	562655388	/nfs/dbraw/zinc/65/53/88/562655388.db2.gz	FCMDGPPBCUEITO-QGZVFWFLSA-N	-1	1	552.661	2.555	1	0		KFAFMM
CCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[n-]1	ZINC000044358861	562655379	/nfs/dbraw/zinc/65/53/79/562655379.db2.gz	MXZLZRQRZAOIMU-UHFFFAOYSA-N	-1	1	566.688	2.715	1	0	in-vivo	KFAFMM
CCCCOC(=O)[C@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3nc(N)[nH]c(=O)c3c2)cc1	ZINC000045188153	562658270	/nfs/dbraw/zinc/65/82/70/562658270.db2.gz	LUNQRNLORPNNNO-FQEVSTJZSA-N	-1	1	515.592	2.548	1	0		KFAFMM
N[C@@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034847	562663531	/nfs/dbraw/zinc/66/35/31/562663531.db2.gz	HWMSFDDABVZFCQ-HWPZZCPQSA-N	-1	1	505.428	2.980	1	0		KFAFMM
N[C@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034849	562663537	/nfs/dbraw/zinc/66/35/37/562663537.db2.gz	HWMSFDDABVZFCQ-QLJPJBMISA-N	-1	1	505.428	2.980	1	0		KFAFMM
N[C@@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034851	562663540	/nfs/dbraw/zinc/66/35/40/562663540.db2.gz	HWMSFDDABVZFCQ-QFYYESIMSA-N	-1	1	505.428	2.980	1	0		KFAFMM
N[C@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034853	562663528	/nfs/dbraw/zinc/66/35/28/562663528.db2.gz	HWMSFDDABVZFCQ-MGPLVRAMSA-N	-1	1	505.428	2.980	1	0		KFAFMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000049695224	562670291	/nfs/dbraw/zinc/67/02/91/562670291.db2.gz	MFRBEEFZCWWEBB-SFTDATJTSA-N	-1	1	614.606	2.821	1	0		KFAFMM
Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000049722845	562672588	/nfs/dbraw/zinc/67/25/88/562672588.db2.gz	NMSIZUSNGCYUNV-BBACVFHCSA-N	-1	1	689.813	2.765	1	0		KFAFMM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049745843	562674119	/nfs/dbraw/zinc/67/41/19/562674119.db2.gz	NPYHYPXFIXQVKJ-NDEPHWFRSA-N	-1	1	652.793	2.951	1	0		KFAFMM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049746750	562674588	/nfs/dbraw/zinc/67/45/88/562674588.db2.gz	OTMHMOLFLJRVHH-SANMLTNESA-N	-1	1	608.740	2.935	1	0		KFAFMM
CCOC(=O)CC(=O)OC[C@H]1Oc2ccc([C@H]3Oc4cc([O-])cc(O)c4C(=O)[C@@H]3O)cc2O[C@H]1c1ccc(O)c(OC)c1	ZINC000049757047	562675485	/nfs/dbraw/zinc/67/54/85/562675485.db2.gz	RBLQKXJCWRMIHN-UJLGHMMASA-N	-1	1	596.541	2.867	1	0		KFAFMM
CCOC(=O)CC(=O)OC[C@@H]1Oc2ccc([C@H]3Oc4cc([O-])cc(O)c4C(=O)[C@@H]3O)cc2O[C@H]1c1ccc(O)c(OC)c1	ZINC000049757048	562675481	/nfs/dbraw/zinc/67/54/81/562675481.db2.gz	RBLQKXJCWRMIHN-WBWZXODPSA-N	-1	1	596.541	2.867	1	0		KFAFMM
CCOC(=O)CC(=O)OC[C@H]1Oc2ccc([C@H]3Oc4cc([O-])cc(O)c4C(=O)[C@@H]3O)cc2O[C@@H]1c1ccc(O)c(OC)c1	ZINC000049757049	562675438	/nfs/dbraw/zinc/67/54/38/562675438.db2.gz	RBLQKXJCWRMIHN-OQTWNIQDSA-N	-1	1	596.541	2.867	1	0		KFAFMM
CCOC(=O)CC(=O)OC[C@@H]1Oc2ccc([C@H]3Oc4cc([O-])cc(O)c4C(=O)[C@@H]3O)cc2O[C@@H]1c1ccc(O)c(OC)c1	ZINC000049757050	562675483	/nfs/dbraw/zinc/67/54/83/562675483.db2.gz	RBLQKXJCWRMIHN-IUFAUYNMSA-N	-1	1	596.541	2.867	1	0		KFAFMM
CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000049780495	562681843	/nfs/dbraw/zinc/68/18/43/562681843.db2.gz	CPZRYRVSOCXUSE-ULNSLHSMSA-N	-1	1	613.671	2.835	1	0		KFAFMM
CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000049780995	562682529	/nfs/dbraw/zinc/68/25/29/562682529.db2.gz	SESRACCSDGDUPO-ULNSLHSMSA-N	-1	1	613.671	2.835	1	0		KFAFMM
CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2[O-])C(=O)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1	ZINC000049872278	562689892	/nfs/dbraw/zinc/68/98/92/562689892.db2.gz	GDMFHVAWBYMLCR-NIBHENIISA-N	-1	1	540.569	2.968	1	0		KFAFMM
COc1cc([O-])c2c(=O)cc(-c3ccccc3O[C@@H]3O[C@@H](CO)[C@@H](OC(=O)C=Cc4ccccc4)[C@H](O)[C@H]3O)oc2c1OC	ZINC000059761712	565116183	/nfs/dbraw/zinc/11/61/83/565116183.db2.gz	CJSBAQYZHSTGQK-DMICRVJYSA-N	-1	1	606.580	2.626	1	0	biogenic,in-vitro	KFAFMM
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(C=CC(N)=O)ccc3N2)c1=O	ZINC000062233614	562704391	/nfs/dbraw/zinc/70/43/91/562704391.db2.gz	RGCHCVGSLKVFLI-SOFGYWHQSA-N	-1	1	513.601	2.783	1	0		KFAFMM
COc1ccccc1C(=O)O[C@H]1[C@@H](O)[C@H](Oc2cc([O-])c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)O[C@@H](C)[C@@H]1O	ZINC000070450995	560048934	/nfs/dbraw/zinc/04/89/34/560048934.db2.gz	NEPVCTKYHYAHAZ-CLDZSJCVSA-N	-1	1	566.515	2.656	1	0	biogenic,in-vitro	KFAFMM
COc1ccccc1C(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1cc([O-])c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O	ZINC000070454088	560048775	/nfs/dbraw/zinc/04/87/75/560048775.db2.gz	LEIRBJWWXASKQN-SBCOBMDLSA-N	-1	1	566.515	2.656	1	0	biogenic,in-vitro	KFAFMM
COc1cc([O-])c2c(c1Br)C(=O)O[C@H](c1ccccc1)C(=O)NCC(=O)N[C@H](c1nc(C)no1)CSC2	ZINC000071296309	562717504	/nfs/dbraw/zinc/71/75/04/562717504.db2.gz	LJJLUWUXABCOOW-YCRPNKLZSA-N	-1	1	591.440	2.973	1	0		KFAFMM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4cc(C)nc(NCCCN5CCOCC5)n4)CC3)c(F)c21	ZINC000071318108	562718401	/nfs/dbraw/zinc/71/84/01/562718401.db2.gz	XUOPLHKJAZPELJ-UHFFFAOYSA-N	-1	1	571.629	2.557	1	0		KFAFMM
COc1cc([O-])c2c(c1Br)C(=O)OCC(=S)NCC(=S)N[C@H](c1nc(C)no1)CSC2	ZINC000071329482	562718861	/nfs/dbraw/zinc/71/88/61/562718861.db2.gz	DPCPRTNWMIWLET-JTQLQIEISA-N	-1	1	547.478	2.834	1	0		KFAFMM
COc1cc([O-])c2c(c1Br)C(=O)OCCN(C(=O)C(C)(C)C)CC(=O)N[C@H](c1nc(C)no1)CSC2	ZINC000071330358	562719139	/nfs/dbraw/zinc/71/91/39/562719139.db2.gz	ZZVFKXAYDYGUEI-AWEZNQCLSA-N	-1	1	585.477	2.991	1	0		KFAFMM
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000072105278	562720778	/nfs/dbraw/zinc/72/07/78/562720778.db2.gz	ZUSHHEHXQDVGJX-KCHLEUMXSA-N	-1	1	553.615	2.864	1	0		KFAFMM
N[C@@H](CO)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1	ZINC000072116719	562723207	/nfs/dbraw/zinc/72/32/07/562723207.db2.gz	GHZNIMNVSJZCGB-GMAHTHKFSA-N	-1	1	525.989	2.993	1	0		KFAFMM
C[C@@H](O)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1	ZINC000072116742	562723218	/nfs/dbraw/zinc/72/32/18/562723218.db2.gz	VXVBEBMHFTZKFR-DPQOWFAMSA-N	-1	1	505.571	2.728	1	0		KFAFMM
CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H](N)[C@@H](C)O	ZINC000072120367	562724052	/nfs/dbraw/zinc/72/40/52/562724052.db2.gz	VHCMRKUBQMGVBD-LAMXGVLKSA-N	-1	1	507.587	2.947	1	0		KFAFMM
O=C([O-])CC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000072131624	562726661	/nfs/dbraw/zinc/72/66/61/562726661.db2.gz	UKQIVPSRYGGWSX-ORYMTKCHSA-N	-1	1	678.746	2.553	1	0		KFAFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCc1ccccc1	ZINC000072175878	562731445	/nfs/dbraw/zinc/73/14/45/562731445.db2.gz	QGVKWBPYHATPQZ-FMYROPPKSA-N	-1	1	595.656	2.949	1	0		KFAFMM
CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[n-]1	ZINC000082149975	562739766	/nfs/dbraw/zinc/73/97/66/562739766.db2.gz	NIBCDDKWFDEBEP-UHFFFAOYSA-N	-1	1	565.700	2.907	1	0		KFAFMM
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(-c3ccccc3)nn(C)c2c(=O)[n-]1	ZINC000084632960	562745660	/nfs/dbraw/zinc/74/56/60/562745660.db2.gz	DSUJCFXCOOMLRE-UHFFFAOYSA-N	-1	1	508.604	2.738	1	0		KFAFMM
Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3c[n-]nc3S(=O)(=O)c3ccc(C)cc3)s2)cc1	ZINC000084655440	562747552	/nfs/dbraw/zinc/74/75/52/562747552.db2.gz	WOQQPTZKECWWOI-UHFFFAOYSA-N	-1	1	567.696	2.627	1	0		KFAFMM
O=S(=O)(Cc1nnc(CS(=O)(=O)c2c[n-]nc2S(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1	ZINC000084668572	562747646	/nfs/dbraw/zinc/74/76/46/562747646.db2.gz	JQJVPMAZLWIRPZ-UHFFFAOYSA-N	-1	1	592.464	2.848	1	0		KFAFMM
O=S(=O)(Cc1nnc(CS(=O)(=O)c2cn[n-]c2S(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1	ZINC000084668572	562747644	/nfs/dbraw/zinc/74/76/44/562747644.db2.gz	JQJVPMAZLWIRPZ-UHFFFAOYSA-N	-1	1	592.464	2.848	1	0		KFAFMM
N[C@@H](CO)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12	ZINC000084668760	562747744	/nfs/dbraw/zinc/74/77/44/562747744.db2.gz	TYNDXTGEBLAWAX-HOFKKMOUSA-N	-1	1	569.618	2.955	1	0		KFAFMM
CC(=O)OC[C@H]1O[C@H](Oc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)C=C[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095536728	562754073	/nfs/dbraw/zinc/75/40/73/562754073.db2.gz	WLYNDFORMMSZMF-JJSBKWSJSA-N	-1	1	770.693	2.563	1	0		KFAFMM
CC(=O)OC[C@H]1O[C@H](Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c2)C=C[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095536728	562754072	/nfs/dbraw/zinc/75/40/72/562754072.db2.gz	WLYNDFORMMSZMF-JJSBKWSJSA-N	-1	1	770.693	2.563	1	0		KFAFMM
CC(=O)OC[C@H]1O[C@H](OCCOc2cc([O-])c3c(c2)occ(-c2ccc(O)cc2)c3=O)C=C[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095546999	562758637	/nfs/dbraw/zinc/75/86/37/562758637.db2.gz	QMGLWOIADGLDIH-KZQTTYGISA-N	-1	1	814.746	2.579	1	0		KFAFMM
CC(=O)OC[C@H]1O[C@H](OCCOc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c2)C=C[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095546999	562758636	/nfs/dbraw/zinc/75/86/36/562758636.db2.gz	QMGLWOIADGLDIH-KZQTTYGISA-N	-1	1	814.746	2.579	1	0		KFAFMM
CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[N-]c2ccccc2N=C1CC	ZINC000095600234	562778771	/nfs/dbraw/zinc/77/87/71/562778771.db2.gz	JCKGIOBAOAZJMN-UHFFFAOYSA-N	-1	1	542.614	2.829	1	0		KFAFMM
COc1cc2cccc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(NC(=O)[C@H](Cc4ccc(C[P@](=O)([O-])O)cc4)NC(C)=O)CCCCC3)c2cc1OC	ZINC000095606305	562782016	/nfs/dbraw/zinc/78/20/16/562782016.db2.gz	SLXHIXKJEPUSKD-CONSDPRKSA-N	-1	1	767.817	2.510	1	0		KFAFMM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](CC(C)C)C(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000095607836	562783163	/nfs/dbraw/zinc/78/31/63/562783163.db2.gz	RFUHKNDCMIJDQD-ZWHHYXARSA-N	-1	1	817.985	2.815	1	0		KFAFMM
CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2[O-])[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000095608068	562783335	/nfs/dbraw/zinc/78/33/35/562783335.db2.gz	HJNZTHHOZWMVPB-SQCJOUFOSA-N	-1	1	747.839	2.978	1	0	in-vitro	KFAFMM
CC[C@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2[O-])[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000095608069	562783326	/nfs/dbraw/zinc/78/33/26/562783326.db2.gz	HJNZTHHOZWMVPB-SAVHRECPSA-N	-1	1	747.839	2.978	1	0	in-vitro	KFAFMM
COc1ccc(-c2oc3c4c(cc([O-])c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(C)(C)C=C4)cc1	ZINC000095909321	553714713	/nfs/dbraw/zinc/71/47/13/553714713.db2.gz	HFACBAJBHOSYOZ-GULSFEPBSA-N	-1	1	512.511	2.565	1	0	biogenic,in-vitro	KFAFMM
COc1cc([O-])c2c(=O)cc(-c3ccccc3O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C=Cc3ccccc3)oc2c1OC	ZINC000095918686	565187958	/nfs/dbraw/zinc/18/79/58/565187958.db2.gz	FOWHMJBXCXWUGU-VKBVHMTRSA-N	-1	1	606.580	2.626	1	0	biogenic,in-vitro	KFAFMM
COc1cc([O-])c2c(=O)cc(-c3ccccc3O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](OC(=O)C=Cc4ccccc4)[C@H]3O)oc2c1OC	ZINC000095918687	565187981	/nfs/dbraw/zinc/18/79/81/565187981.db2.gz	KVSAMGNYVGLEFR-YPPXQPJLSA-N	-1	1	606.580	2.626	1	0	biogenic,in-vitro	KFAFMM
Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN(CCC(=O)[O-])CC6)nc5)n4)CCC3)cn2)cn1	ZINC000096175458	562791878	/nfs/dbraw/zinc/79/18/78/562791878.db2.gz	ZAZPAKSJQXFFNK-UHFFFAOYSA-N	-1	1	527.589	2.633	1	0		KFAFMM
CC(C)[C@@H]1OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2[O-])[C@H](C)OC(=O)[C@H](C(C)C)OC(=O)C(C)(C)[C@@H](O)[C@@H](Cc2ccccc2)OC1=O	ZINC000096921968	562801638	/nfs/dbraw/zinc/80/16/38/562801638.db2.gz	SVFSHXNTOKYNKD-NMSMKCJHSA-N	-1	1	684.739	2.681	1	0		KFAFMM
COc1cc([O-])c2c(ccn(-c3cccc(C(=O)N4CCCCC4)c3)c2=O)c1NC(=O)CCN1CCOCC1	ZINC000096938031	562804453	/nfs/dbraw/zinc/80/44/53/562804453.db2.gz	OQYTVYDTKWCIMC-UHFFFAOYSA-N	-1	1	534.613	2.992	1	0		KFAFMM
CC(C)(C)[C@H]1C([O-])=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cn1	ZINC000100095537	562806815	/nfs/dbraw/zinc/80/68/15/562806815.db2.gz	HEBOJYUZFDLSAA-OAQYLSRUSA-N	-1	1	536.607	2.902	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c(-c3cccs3)nn(CC3CC3)c1=O)N2	ZINC000100424900	562807010	/nfs/dbraw/zinc/80/70/10/562807010.db2.gz	DZNZSACVKRJKHT-UHFFFAOYSA-N	-1	1	520.614	2.657	1	0		KFAFMM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])n(CC3CC3)nc(-c3cccs3)c1=O)N2	ZINC000100424900	562807009	/nfs/dbraw/zinc/80/70/09/562807009.db2.gz	DZNZSACVKRJKHT-UHFFFAOYSA-N	-1	1	520.614	2.657	1	0		KFAFMM
O=C(CS(=O)(=O)[N-]c1nc2ccc(F)cc2s1)C1C(=O)N2c3ccc(F)cc3SC2=NS1(=O)=O	ZINC000100800466	562807999	/nfs/dbraw/zinc/80/79/99/562807999.db2.gz	SBCUWCKJQIWRTL-NTCAYCPXSA-N	-1	1	544.564	2.924	1	0		KFAFMM
CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cccc(S(N)(=O)=O)c3)cc2)CC(C)(C)N1O	ZINC000101135470	562809397	/nfs/dbraw/zinc/80/93/97/562809397.db2.gz	PXVRVFIJDZLVNX-UHFFFAOYSA-N	-1	1	540.713	2.788	1	0		KFAFMM
CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1O	ZINC000101497073	562811003	/nfs/dbraw/zinc/81/10/03/562811003.db2.gz	ZXDULVLLDKEKED-UHFFFAOYSA-N	-1	1	540.713	2.788	1	0		KFAFMM
O=c1c([O-])c(Nc2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCOCC4)c3)c(Cl)c2)c1=O	ZINC000101613886	562811402	/nfs/dbraw/zinc/81/14/02/562811402.db2.gz	FXGHZRYPPLLLLX-UHFFFAOYSA-N	-1	1	515.327	2.557	1	0		KFAFMM
CCOC(=O)C1=C(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[N-]c2ccccc2N=C1CC	ZINC000101760879	562812078	/nfs/dbraw/zinc/81/20/78/562812078.db2.gz	CERGFEQGIACFBW-UHFFFAOYSA-N	-1	1	512.588	2.820	1	0		KFAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2cccc(C(=O)c3ccc(C(F)(F)F)cc3)c2)[n-]c1=O	ZINC000102993873	562814009	/nfs/dbraw/zinc/81/40/09/562814009.db2.gz	OWROJOBYLXJBCN-FDYZEBBJSA-N	-1	1	508.500	2.991	1	0		KFAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2cccc(C(=O)c3ccc(Br)cc3)c2)[n-]c1=O	ZINC000102994223	562813983	/nfs/dbraw/zinc/81/39/83/562813983.db2.gz	CNOMYYLXXWXJHE-FDYZEBBJSA-N	-1	1	519.399	2.735	1	0		KFAFMM
O=C(COc1ccc(-c2cc([O-])c3c(=O)cc(OCC(=O)OCCCCO[N+](=O)[O-])cc-3o2)cc1)OCCCCO[N+](=O)[O-]	ZINC000103259855	562821135	/nfs/dbraw/zinc/82/11/35/562821135.db2.gz	MHUCUWNXWFJXAB-UHFFFAOYSA-N	-1	1	620.520	2.987	1	0		KFAFMM
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc(O)cc([O-])c34)nn2)CC1	ZINC000103297592	562824617	/nfs/dbraw/zinc/82/46/17/562824617.db2.gz	YGCGBZWVXWOBEC-UHFFFAOYSA-N	-1	1	533.632	2.915	1	0		KFAFMM
CC(C)(CCCOCn1ccc(=O)[nH]c1=O)[N-]S(=O)(=O)c1cc(Br)c(Br)s1	ZINC000116102461	562829273	/nfs/dbraw/zinc/82/92/73/562829273.db2.gz	KAFFUNHDAWVZMM-UHFFFAOYSA-N	-1	1	545.275	2.635	1	0		KFAFMM
O=C([O-])[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CCN1Cc1c[nH]nc1-c1ccc2c(c1)CNC(=O)O2	ZINC000143831512	562835338	/nfs/dbraw/zinc/83/53/38/562835338.db2.gz	RJIKKTBZWICVET-KRWDZBQOSA-N	-1	1	502.453	2.868	1	0		KFAFMM
CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCc3nn[n-]n3)ccc12	ZINC000143947737	562835445	/nfs/dbraw/zinc/83/54/45/562835445.db2.gz	GWOOAVRWPDGLTE-ZHRRBRCNSA-N	-1	1	571.972	2.984	1	0		KFAFMM
C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@H]5c5ccccc5)noc4c3F)CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000145726682	562837562	/nfs/dbraw/zinc/83/75/62/562837562.db2.gz	UXUNUTGBWKLKJK-JBVFKMRFSA-N	-1	1	549.515	2.556	1	0		KFAFMM
Cc1[nH]nc2c1[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N(C(=O)C=Cc1c(F)c(Cl)ccc1-n1cnnn1)CC2	ZINC000145842165	562837671	/nfs/dbraw/zinc/83/76/71/562837671.db2.gz	AYAKVDYEJGZWBH-MFJULSPGSA-N	-1	1	550.938	2.962	1	0		KFAFMM
Cc1[nH]nc2c1[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N(C(=O)C=Cc1c(F)c(Cl)ccc1-n1cnnn1)CC2	ZINC000145842363	562837635	/nfs/dbraw/zinc/83/76/35/562837635.db2.gz	AYAKVDYEJGZWBH-CJHOVAGGSA-N	-1	1	550.938	2.962	1	0		KFAFMM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C[NH2+]CCP(=O)([O-])[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000145917835	562837782	/nfs/dbraw/zinc/83/77/82/562837782.db2.gz	JACVRKLACWGKDH-KAYWLYCHSA-N	-1	1	581.672	2.884	1	0		KFAFMM
C[C@@H]1CN2c3c(cc4c(N5C(=O)OC[C@@H]5c5ccccc5)noc4c3F)CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000145928762	562837757	/nfs/dbraw/zinc/83/77/57/562837757.db2.gz	UXUNUTGBWKLKJK-URCVVBJGSA-N	-1	1	549.515	2.556	1	0		KFAFMM
COc1ccc2ncc(F)c([C@@H](CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)C(=O)[O-])c2n1	ZINC000149105037	562842103	/nfs/dbraw/zinc/84/21/03/562842103.db2.gz	NLCSRLLEEMVJKP-MCHNJAHVSA-N	-1	1	537.548	2.933	1	0		KFAFMM
COc1ccc2ncc(F)c([C@H](CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)C(=O)[O-])c2n1	ZINC000149105271	562842118	/nfs/dbraw/zinc/84/21/18/562842118.db2.gz	NLCSRLLEEMVJKP-HYOVDPQQSA-N	-1	1	537.548	2.933	1	0		KFAFMM
O=C([O-])c1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149129915	562842172	/nfs/dbraw/zinc/84/21/72/562842172.db2.gz	HEPXUQJKKPZPPU-UHFFFAOYSA-N	-1	1	507.522	2.997	1	0		KFAFMM
O=C(NC1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)c(F)c2)C1)c1ccccn1	ZINC000169284191	562851721	/nfs/dbraw/zinc/85/17/21/562851721.db2.gz	MIWOZDQEFXGCTE-UHFFFAOYSA-N	-1	1	505.531	2.824	1	0		KFAFMM
CCCC[C@@H](CC)CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)[C@@H](C)CC)C(=O)[O-]	ZINC000169320084	562856375	/nfs/dbraw/zinc/85/63/75/562856375.db2.gz	SBHILCKXBLSAAM-DMCBNNEPSA-N	-1	1	684.724	2.993	1	0		KFAFMM
CCCC[C@H](CC)CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)[C@@H](C)CC)C(=O)[O-]	ZINC000169320086	562856349	/nfs/dbraw/zinc/85/63/49/562856349.db2.gz	SBHILCKXBLSAAM-UVCKQMRKSA-N	-1	1	684.724	2.993	1	0		KFAFMM
COc1ccc2nccc(C(=O)NCCC3CCN(S(=O)(=O)[N-]C(=O)NC4CCCCC4)CC3)c2c1	ZINC000169331499	562859034	/nfs/dbraw/zinc/85/90/34/562859034.db2.gz	UBEVKWFDEMGQIF-UHFFFAOYSA-N	-1	1	517.652	2.952	1	0		KFAFMM
Nc1nc(N)c2cc(Oc3ccc(CNc4ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc4)cc3)ccc2[nH+]1	ZINC000169333751	562859331	/nfs/dbraw/zinc/85/93/31/562859331.db2.gz	MVTHJNHILGJXTA-NRFANRHFSA-N	-1	1	516.514	2.856	1	0		KFAFMM
Nc1nc(N)c2cc(Oc3ccc(CNc4ccc(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc4)cc3)ccc2[nH+]1	ZINC000169333752	562859326	/nfs/dbraw/zinc/85/93/26/562859326.db2.gz	MVTHJNHILGJXTA-OAQYLSRUSA-N	-1	1	516.514	2.856	1	0		KFAFMM
CCCS(=O)(=O)[N-]c1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cnc1OC	ZINC000169338510	562860264	/nfs/dbraw/zinc/86/02/64/562860264.db2.gz	FILXTORXAZXJAM-VQHVLOKHSA-N	-1	1	500.595	2.853	1	0		KFAFMM
COc1ccc(Cl)cc1C(=O)NCCC1CCN(S(=O)(=O)[N-]C(=O)NN2CCCCCC2)CC1	ZINC000169340738	562860666	/nfs/dbraw/zinc/86/06/66/562860666.db2.gz	UBGXCJHTKFDQSP-UHFFFAOYSA-N	-1	1	516.064	2.516	1	0		KFAFMM
COc1ccc(CCOC(=O)[C@@H](N)C(C)C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC000169699237	562867540	/nfs/dbraw/zinc/86/75/40/562867540.db2.gz	SQWGXGDJFLQGJM-QHCPKHFHSA-N	-1	1	553.645	2.985	1	0		KFAFMM
Cc1nc(C(=O)NCCN(C)S(C)(=O)=O)c([O-])c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12	ZINC000169711016	562870763	/nfs/dbraw/zinc/87/07/63/562870763.db2.gz	FTMPDNSCMCEWOF-UHFFFAOYSA-N	-1	1	520.611	2.747	1	0		KFAFMM
O=C([O-])CCNC(=O)c1ncc2c(cc(-c3ccc(N4CCOCC4)cc3)c(=O)n2Cc2ccccc2)c1O	ZINC000169711032	562870779	/nfs/dbraw/zinc/87/07/79/562870779.db2.gz	OAMCVHBLLOGQKE-UHFFFAOYSA-N	-1	1	528.565	2.859	1	0		KFAFMM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CC(=O)c4cc5ccc(O)cc5oc4=O)CC3)c(F)cc2c1=O	ZINC000200161655	562873300	/nfs/dbraw/zinc/87/33/00/562873300.db2.gz	PAOSQTARRCRKPW-UHFFFAOYSA-N	-1	1	533.512	2.991	1	0		KFAFMM
CO[C@H]1CN(c2nc(-c3cncc(NCCN4CCN(C)CC4)n3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000299833917	562886300	/nfs/dbraw/zinc/88/63/00/562886300.db2.gz	OZKUQOZGHQRJHO-AEFFLSMTSA-N	-1	1	652.609	2.925	1	0		KFAFMM
O=C([O-])[C@H]1O[C@@H](OC(=O)CCc2cc(C(=O)c3ccc(OC4CCCC4)cc3O)ccc2OCc2ccc3c(=O)[nH]oc3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000299853362	562891134	/nfs/dbraw/zinc/89/11/34/562891134.db2.gz	JBCOXSKOZMNGLC-RSENBJTISA-N	-1	1	693.658	2.738	1	0		KFAFMM
COc1cc2nccc(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1C(=O)[O-]	ZINC000299867808	562894920	/nfs/dbraw/zinc/89/49/20/562894920.db2.gz	YUGWXMFOVWSSAF-UHFFFAOYSA-N	-1	1	519.558	2.867	1	0		KFAFMM
O=C([O-])COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000473109881	562898488	/nfs/dbraw/zinc/89/84/88/562898488.db2.gz	UCZLNKKAXJHWOE-UHFFFAOYSA-N	-1	1	537.548	2.762	1	0		KFAFMM
COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)sc3c2)cc1[N-]S(=O)(=O)C1CC1	ZINC000473113799	562898832	/nfs/dbraw/zinc/89/88/32/562898832.db2.gz	KMNHIBFNIBQIEX-UHFFFAOYSA-N	-1	1	532.648	2.725	1	0		KFAFMM
O=c1[n-]c(N2CCc3ccccc3C2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1	ZINC000473117213	562899155	/nfs/dbraw/zinc/89/91/55/562899155.db2.gz	XZRWYMNPQAKYJF-VZVVXEKASA-N	-1	1	505.600	2.536	1	0		KFAFMM
O=C([O-])c1ccc(NC(=O)[C@@H]2c3cccc(C(=O)N4CCNCC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1	ZINC000473220747	562904183	/nfs/dbraw/zinc/90/41/83/562904183.db2.gz	XKWZYAFKMNRDDU-IINUCZPTSA-N	-1	1	659.078	2.976	1	0		KFAFMM
O=C([O-])c1ccc(NC(=O)[C@H]2c3cccc(C(=O)N4CCNCC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1	ZINC000473220749	562904156	/nfs/dbraw/zinc/90/41/56/562904156.db2.gz	XKWZYAFKMNRDDU-RZFDLJBBSA-N	-1	1	659.078	2.976	1	0		KFAFMM
Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1[O-]	ZINC000653682127	562906351	/nfs/dbraw/zinc/90/63/51/562906351.db2.gz	CYNIOIPKRXVGHL-KRWDZBQOSA-N	-1	1	538.626	2.994	1	0		KFAFMM
CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2[O-])c(C)c1	ZINC000653682140	562906417	/nfs/dbraw/zinc/90/64/17/562906417.db2.gz	JGUPBZDFMCZRNA-KRWDZBQOSA-N	-1	1	538.626	2.864	1	0		KFAFMM
Nc1ccc2c(c1)c(C(=O)N1CCN(C(=O)C3=C([O-])c4ccccc4OC3)CC1)cn2-c1cccc(N)c1	ZINC000653787729	562912485	/nfs/dbraw/zinc/91/24/85/562912485.db2.gz	MCPRZFWCOJUNHZ-DEOSSOPVSA-N	-1	1	509.566	2.971	1	0		KFAFMM
Nc1ccc2c(c1)c(C(=O)N1CCN(C(=O)C3=C([O-])c4ccccc4OC3)CC1)cn2-c1cccc(N)c1	ZINC000653787730	562912461	/nfs/dbraw/zinc/91/24/61/562912461.db2.gz	MCPRZFWCOJUNHZ-XMMPIXPASA-N	-1	1	509.566	2.971	1	0		KFAFMM
CC(C)NC(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	ZINC000061947871	562704160	/nfs/dbraw/zinc/70/41/60/562704160.db2.gz	TZVATHBZTZBTQC-KHCICDEESA-N	-1	1	532.663	2.757	3	0		KFAFMM
CC(C)NC(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000061947920	562704133	/nfs/dbraw/zinc/70/41/33/562704133.db2.gz	TZVATHBZTZBTQC-XLNZFTOWSA-N	-1	1	532.663	2.757	3	0		KFAFMM
Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000064693601	562709044	/nfs/dbraw/zinc/70/90/44/562709044.db2.gz	OMHAOFHNWNAHIQ-YYULODDRSA-N	-1	1	606.723	2.633	3	0		KFAFMM