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(=O)n(CCc3cccc4ccccc43)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F	ZINC000001538432	561676859	/nfs/dbraw/zinc/67/68/59/561676859.db2.gz	WFLDOEIMRXIWPT-OAQYLSRUSA-N	0	0	542.514	2.520	1	0		KFAFRN
CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCc1cccnc1	ZINC000001538487	561676937	/nfs/dbraw/zinc/67/69/37/561676937.db2.gz	ICYVDMBWMGFEMP-RPWUZVMVSA-N	0	0	502.571	2.995	1	0		KFAFRN
C[C@@H](O)CNc1nc(NCc2ccc3c(c2)OCO3)c2nc(NC[C@@H](C)O)nc(NCc3ccc4c(c3)OCO4)c2n1	ZINC000001549371	561677393	/nfs/dbraw/zinc/67/73/93/561677393.db2.gz	FZDLWKRPNJZIIA-HZPDHXFCSA-N	0	0	576.614	2.687	1	0		KFAFRN
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(-c3cccc(NC(N)=[NH2+])c3)s2)C(=O)[O-])c(C)c1	ZINC000001549904	561677434	/nfs/dbraw/zinc/67/74/34/561677434.db2.gz	UQEWVVUNGPKKKR-SFHVURJKSA-N	0	0	529.644	2.807	1	0		KFAFRN
COc1ccc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2C=CC3[C@@H]3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1OC	ZINC000001872668	551720095	/nfs/dbraw/zinc/72/00/95/551720095.db2.gz	UGZMPGJVXRAOPR-YRXCIXIPSA-N	0	0	574.630	2.524	1	0		KFAFRN
COC(=O)c1ccc2oc(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cn3c(-c4cccc(N)c4)ncc(N)c3=O)nc2c1	ZINC000002002841	561680421	/nfs/dbraw/zinc/68/04/21/561680421.db2.gz	KCPCIJRBSCGYDV-HSZRJFAPSA-N	0	0	566.574	2.613	1	0		KFAFRN
COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)C[C@H](S(=O)(=O)c3ccccc3)[C@H]2C1	ZINC000003596993	561682069	/nfs/dbraw/zinc/68/20/69/561682069.db2.gz	NPVGPFUNYZWENR-ICSRJNTNSA-N	0	0	504.582	2.703	1	0		KFAFRN
O=C(Nc1nncs1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21	ZINC000003640141	561682276	/nfs/dbraw/zinc/68/22/76/561682276.db2.gz	YICRGOSXJZBRNF-UHFFFAOYSA-N	0	0	506.519	2.578	1	0		KFAFRN
CCC[C@H]([NH3+])C(=O)N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)[C@H]1C	ZINC000003784965	561682347	/nfs/dbraw/zinc/68/23/47/561682347.db2.gz	HHAFPIFDYIOWKH-YXKWSERDSA-N	0	0	502.493	2.927	1	0		KFAFRN
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O	ZINC000003814037	561682698	/nfs/dbraw/zinc/68/26/98/561682698.db2.gz	VFOBRZBTHIRLJE-UHFFFAOYSA-N	0	0	561.060	2.583	1	0		KFAFRN
NC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4c[nH]c5ccccc45)CC3)c(F)c2)C(=O)O1	ZINC000003818211	561683146	/nfs/dbraw/zinc/68/31/46/561683146.db2.gz	XLFBWHBAIJVPOE-MEQKGCOVSA-N	0	0	522.606	2.827	1	0		KFAFRN
Cc1cc2nnc(C(=O)N[C@@H]3N=C(c4ccccc4)c4cc(N5CCCC5)cc5c4N(CC5)C3=O)c(C)n2n1	ZINC000003827882	561683389	/nfs/dbraw/zinc/68/33/89/561683389.db2.gz	SMOBFXSXJCNBMQ-MHZLTWQESA-N	0	0	520.597	2.838	1	0		KFAFRN
CCCCc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000003842621	561683948	/nfs/dbraw/zinc/68/39/48/561683948.db2.gz	ZAGKVAUELHCUBW-VWLOTQADSA-N	0	0	554.655	2.809	1	0		KFAFRN
COC(=O)/C(=C/[C@H](C)NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccccc1)COC(C)=O	ZINC000003842771	561683945	/nfs/dbraw/zinc/68/39/45/561683945.db2.gz	DGGOUXDLXNNULW-WQZUMXOESA-N	0	0	562.579	2.826	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C	ZINC000003914581	561684530	/nfs/dbraw/zinc/68/45/30/561684530.db2.gz	LAQXJGUAIIHFMN-AELUVZMJSA-N	0	0	649.789	2.541	1	0		KFAFRN
COC(=O)N(C(=O)OC)N1C(=O)C[C@@]2(C1=O)c1ccccc1C(=O)N(Cc1ccc(Br)cc1F)C2=O	ZINC000003915157	561684669	/nfs/dbraw/zinc/68/46/69/561684669.db2.gz	MOVXQVNNHAJGBM-HSZRJFAPSA-N	0	0	562.304	2.517	1	0		KFAFRN
CN(C)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C	ZINC000003915328	561684658	/nfs/dbraw/zinc/68/46/58/561684658.db2.gz	VQSZYMQVBWDSJN-MVTRJSSCSA-N	0	0	593.856	2.972	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2n1)NS(C)(=O)=O	ZINC000003915845	561684937	/nfs/dbraw/zinc/68/49/37/561684937.db2.gz	SPOXOUDHHVDZNM-FRXPANAUSA-N	0	0	680.849	2.786	1	0		KFAFRN
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)P1(=O)OCCCO1	ZINC000003917620	561685177	/nfs/dbraw/zinc/68/51/77/561685177.db2.gz	HRNBOFCWYIICIY-VZTVMPNDSA-N	0	0	654.767	2.891	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C	ZINC000003922674	561686018	/nfs/dbraw/zinc/68/60/18/561686018.db2.gz	XQAMVCHQGHAELT-FKBYEOEOSA-N	0	0	632.627	2.812	1	0	in-vitro	KFAFRN
CC(=O)NN1C(=O)C[C@]2(C1=O)c1ccccc1C(=O)N(Cc1nc3cc(C(F)(F)F)ccc3s1)C2=O	ZINC000003922997	561686024	/nfs/dbraw/zinc/68/60/24/561686024.db2.gz	ZFNHTOOHTMJAJI-QFIPXVFZSA-N	0	0	516.457	2.546	1	0		KFAFRN
CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5ccc[n+]([O-])c5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O	ZINC000003929393	561687070	/nfs/dbraw/zinc/68/70/70/561687070.db2.gz	LVPMMILGFCTZBA-RVTXXDJVSA-N	0	0	599.633	2.994	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1OC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000003930091	561687239	/nfs/dbraw/zinc/68/72/39/561687239.db2.gz	ROZCHGABHNQZLU-YTCPBCGMSA-N	0	0	625.726	2.904	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1	ZINC000003930367	561687253	/nfs/dbraw/zinc/68/72/53/561687253.db2.gz	UPYUBPUDWRHOBW-FBQZJRKBSA-N	0	0	563.761	2.667	1	0		KFAFRN
O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)N4CCN(c5nc6ccccc6s5)CC4)cc3cc-2[nH]1	ZINC000003930880	561687406	/nfs/dbraw/zinc/68/74/06/561687406.db2.gz	QWVXVPSSURNIAY-UHFFFAOYSA-N	0	0	524.628	2.935	1	0		KFAFRN
CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CC[NH2+]CC3)sc2s1)C(=O)[O-]	ZINC000003932407	561687768	/nfs/dbraw/zinc/68/77/68/561687768.db2.gz	SRLJDTUHNPUPHU-KRWDZBQOSA-N	0	0	501.696	2.798	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000003934226	561688199	/nfs/dbraw/zinc/68/81/99/561688199.db2.gz	VBPPNJCVXGAZDD-PMACEKPBSA-N	0	0	526.615	2.511	1	0	in-vivo	KFAFRN
CCCCN(C(=O)CC(=O)[O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1	ZINC000003934239	561688210	/nfs/dbraw/zinc/68/82/10/561688210.db2.gz	LQEINRGWYJSJRV-VWLOTQADSA-N	0	0	562.689	2.664	1	0		KFAFRN
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C	ZINC000003935183	561688372	/nfs/dbraw/zinc/68/83/72/561688372.db2.gz	UXNIFTCWMPGHCU-GKORLBRISA-N	0	0	640.778	2.625	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000003935926	561688425	/nfs/dbraw/zinc/68/84/25/561688425.db2.gz	HNEIRZJZTYYDES-VPZBFSRCSA-N	0	0	576.668	2.522	1	0	in-vitro	KFAFRN
Cc1nccn1CCCCc1ccc([C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1	ZINC000003937082	561688629	/nfs/dbraw/zinc/68/86/29/561688629.db2.gz	DHKCVIJISBXPOV-XTPLGNKUSA-N	0	0	654.853	2.949	1	0		KFAFRN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1	ZINC000003937152	561688634	/nfs/dbraw/zinc/68/86/34/561688634.db2.gz	MOZRNOTXRYBDCM-ZTTXAYQISA-N	0	0	668.880	2.780	1	0		KFAFRN
O=C([O-])C1=C(C[n+]2cccc3nc[nH]c32)CS[C@@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000003937153	561688657	/nfs/dbraw/zinc/68/86/57/561688657.db2.gz	CYOIYCYFWVPTQI-DYESRHJHSA-O	0	0	551.457	2.688	1	0		KFAFRN
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CS(C)(=O)=O)o4)c(C(C)C)c23)c(F)cc1F	ZINC000003938412	561688930	/nfs/dbraw/zinc/68/89/30/561688930.db2.gz	PLKAJXMYXBXIGX-UHFFFAOYSA-N	0	0	521.506	2.760	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC[C@H]2CCC[NH2+]C2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2ccccc2)CC1	ZINC000003948737	561690091	/nfs/dbraw/zinc/69/00/91/561690091.db2.gz	XVYFBYVSZOCXRJ-OYRHQHFDSA-N	0	0	512.651	2.745	1	0		KFAFRN
Cc1cc(N)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C	ZINC000003950938	561690464	/nfs/dbraw/zinc/69/04/64/561690464.db2.gz	NUMGQIGLELBRJO-LLZJGCNPSA-N	0	0	570.756	2.948	1	0		KFAFRN
COC(=O)[C@H]1O[C@@H](Oc2ccc([C@@H]3[C@@H](CCCc4ccccc4)C(=O)N3c3ccc(OC)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000003951787	561690537	/nfs/dbraw/zinc/69/05/37/561690537.db2.gz	FIZSHOMKWAAVGK-BIPQFDCDSA-N	0	0	577.630	2.782	1	0		KFAFRN
COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1	ZINC000003951788	561690606	/nfs/dbraw/zinc/69/06/06/561690606.db2.gz	BCUCERZWEJYOQF-JUMNCLDQSA-N	0	0	549.620	2.601	1	0		KFAFRN
NC(=O)COc1cccc2c[n+](CC3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)CSc5cc(Cl)ccc5Cl)[C@H]4SC3)ccc21	ZINC000003959237	561690947	/nfs/dbraw/zinc/69/09/47/561690947.db2.gz	ANHUHBWCPSXVAG-ZEQKJWHPSA-O	0	0	634.543	2.829	1	0		KFAFRN
Nc1cccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)OC2CCCC2)c1	ZINC000003962660	561691127	/nfs/dbraw/zinc/69/11/27/561691127.db2.gz	QENNGCUCJBLCNI-UIPNDDLNSA-N	0	0	575.684	2.594	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)OCc1ccccc1	ZINC000003964776	561691470	/nfs/dbraw/zinc/69/14/70/561691470.db2.gz	MXLMCJDWRDDYKD-UWEBUPBHSA-N	0	0	718.848	2.776	1	0		KFAFRN
CCCC[C@@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1	ZINC000003966122	561691718	/nfs/dbraw/zinc/69/17/18/561691718.db2.gz	HIAOHWNJALUKDL-VQQCUIBGSA-N	0	0	726.916	2.715	1	0		KFAFRN
Cc1cc(C(=O)Nc2cccn([C@@H](Cc3ccc(F)c(F)c3)C(=O)N[C@H](/C=C/C(=O)OC(C)C)C[C@@H]3CCNC3=O)c2=O)no1	ZINC000003972131	561691679	/nfs/dbraw/zinc/69/16/79/561691679.db2.gz	IDEQIHVMYCERBI-QNSPMPMTSA-N	0	0	625.629	2.978	1	0		KFAFRN
COc1cc2c(cc1OC)C(c1ccnc(-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c1)=N[C@H](CO)C2	ZINC000003973874	561691768	/nfs/dbraw/zinc/69/17/68/561691768.db2.gz	FWWXAPNNHWGQDC-QHCPKHFHSA-N	0	0	570.646	2.868	1	0		KFAFRN
OCCO[C@H]1C[C@@H](n2nnc3c2nc(SCCC(F)(F)F)nc3N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H](O)[C@@H]1O	ZINC000003976245	561691970	/nfs/dbraw/zinc/69/19/70/561691970.db2.gz	DABLIZSFXIIDKD-SUWDMQDDSA-N	0	0	576.548	2.556	1	0		KFAFRN
Cc1noc(C)c1CNC(=O)[C@H]1N(C(=O)[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)CSC1(C)C	ZINC000003976384	561691917	/nfs/dbraw/zinc/69/19/17/561691917.db2.gz	OIGRVBGGQVHPRF-SBZNDKMQSA-N	0	0	636.771	2.808	1	0		KFAFRN
O[C@H]1[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)O[C@H](c2ccon2)[C@H]1O	ZINC000003978874	561692161	/nfs/dbraw/zinc/69/21/61/561692161.db2.gz	BBYMTSRJCMVUJS-LUXYFRNMSA-N	0	0	554.732	2.676	1	0		KFAFRN
CC[C@@H](NC(=O)c1ccc(C(=[NH2+])N2CCC(O)CC2)cc1F)C(C)(C)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC000003979012	561692169	/nfs/dbraw/zinc/69/21/69/561692169.db2.gz	WTKHGEHXMDZWIS-JOCHJYFZSA-N	0	0	518.630	2.856	1	0		KFAFRN
CCCCCC[N@H+](C)CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000003979930	561692345	/nfs/dbraw/zinc/69/23/45/561692345.db2.gz	XIMITGPWYYFUQF-CTNGQTDRSA-N	0	0	575.711	2.836	1	0	in-vitro	KFAFRN
CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)cc4)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003984002	561692739	/nfs/dbraw/zinc/69/27/39/561692739.db2.gz	PLEXAABBVJNISH-STWUNAAISA-N	0	0	684.603	2.773	1	0		KFAFRN
CCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1	ZINC000003985869	561692747	/nfs/dbraw/zinc/69/27/47/561692747.db2.gz	VSAJEECGHQJYJT-UHFFFAOYSA-N	0	0	536.672	2.905	1	0		KFAFRN
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	ZINC000003989600	561693355	/nfs/dbraw/zinc/69/33/55/561693355.db2.gz	GIZJWWQFOGQPRY-GCXHJFECSA-N	0	0	577.685	2.655	1	0	in-vivo	KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](N(C)C)Cc2cc(ccc2OC)/C=C\NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000004098495	560195782	/nfs/dbraw/zinc/19/57/82/560195782.db2.gz	ZGVZGFFCCVLGFC-BTIMGDGLSA-N	0	0	506.647	2.527	1	0	biogenic,in-vitro	KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000004392029	561694760	/nfs/dbraw/zinc/69/47/60/561694760.db2.gz	QUOPHBHKAHCCNJ-QSUCZNBGSA-N	0	0	659.825	2.664	1	0		KFAFRN
COC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	ZINC000004392030	561694750	/nfs/dbraw/zinc/69/47/50/561694750.db2.gz	ROHPEUZIBLJFFF-MUCOCAKHSA-N	0	0	679.815	2.675	1	0		KFAFRN
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C	ZINC000004392456	561694765	/nfs/dbraw/zinc/69/47/65/561694765.db2.gz	BAEPUUWETTZONO-FIXSFTCYSA-N	0	0	527.687	2.587	1	0		KFAFRN
O=C(N[C@@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3NC2CCCC2)O[C@@H]1CO)c1ccc(Cl)c(Cl)c1	ZINC000004393623	561694751	/nfs/dbraw/zinc/69/47/51/561694751.db2.gz	QTHDSVPPKWKZNF-UNMKOGDSSA-N	0	0	507.378	2.537	1	0		KFAFRN
COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC	ZINC000004475249	561694987	/nfs/dbraw/zinc/69/49/87/561694987.db2.gz	CGWOIDCAGBKOQL-HXUWFJFHSA-N	0	0	522.606	2.971	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000004653182	561695152	/nfs/dbraw/zinc/69/51/52/561695152.db2.gz	VBPPNJCVXGAZDD-UXHICEINSA-N	0	0	526.615	2.511	1	0		KFAFRN
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1	ZINC000004772279	561695295	/nfs/dbraw/zinc/69/52/95/561695295.db2.gz	PPVHSXJZSPOWMU-IBGZPJMESA-N	0	0	566.663	2.783	1	0		KFAFRN
CCCCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCCCC	ZINC000005386246	561695762	/nfs/dbraw/zinc/69/57/62/561695762.db2.gz	SPTBIJLJJBZGDY-NRFANRHFSA-N	0	0	566.663	2.786	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCc3ccc4c([nH+]3)NCCC4)cc1)C(=O)[O-])C(=O)C2	ZINC000005493775	561696035	/nfs/dbraw/zinc/69/60/35/561696035.db2.gz	UHBUZZJODALKHF-ROZHPIASSA-N	0	0	582.723	2.723	1	0		KFAFRN
COC(=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC)CCN2CC[C@H]1[C@H](S(=O)(=O)c1ccccc1)C2=O	ZINC000005542027	561696228	/nfs/dbraw/zinc/69/62/28/561696228.db2.gz	XZRCRLOBUFMTEI-NWSQWKLXSA-N	0	0	510.568	2.760	1	0		KFAFRN
COC(=O)[C@H]1c2c(c3ccccc3n2C(=O)OC)CCN2CC[C@H]1[C@H](S(=O)(=O)c1ccccc1)C2=O	ZINC000005542028	561696234	/nfs/dbraw/zinc/69/62/34/561696234.db2.gz	XZRCRLOBUFMTEI-LSWJPFSZSA-N	0	0	510.568	2.760	1	0		KFAFRN
CCOC(=O)c1c(O)c(C(c2ccco2)c2c(=O)[nH]c(N3CCCC3)c(C(=O)OCC)c2O)c(=O)[nH]c1N1CCCC1	ZINC000005544082	561696491	/nfs/dbraw/zinc/69/64/91/561696491.db2.gz	HRHXYRQXAVXSOM-UHFFFAOYSA-N	0	0	582.610	2.801	1	0		KFAFRN
CCOC(=O)c1c(O)c(C(c2c(O)c(C(=O)OCC)c(N3CCCC3)[nH]c2=O)C(C)C)c(=O)[nH]c1N1CCCC1	ZINC000005544251	561696458	/nfs/dbraw/zinc/69/64/58/561696458.db2.gz	ADWLYBAMUNKNKO-UHFFFAOYSA-N	0	0	558.632	2.816	1	0		KFAFRN
COC(=O)[C@H](Cc1c2ccccc2[nH]c1[C@@H]1Nc2ccccc2[C@H]1C[C@H](NC(C)=O)C(=O)OC)NC(C)=O	ZINC000005581760	561697042	/nfs/dbraw/zinc/69/70/42/561697042.db2.gz	RBUVMSBPJUMUHG-LJYZBVLISA-N	0	0	520.586	2.706	1	0		KFAFRN
O=C(COc1ccc(OCC(=O)N2C(=O)CN(c3ccccc3)C2=S)cc1)N1C(=O)CN(c2ccccc2)C1=S	ZINC000005582362	561697199	/nfs/dbraw/zinc/69/71/99/561697199.db2.gz	KSSYNKBGUWBGIV-UHFFFAOYSA-N	0	0	574.640	2.765	1	0		KFAFRN
CC(=O)O[C@@H]1CO[C@H](n2c3ccccc3c(=O)n(-c3ccccc3)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005732274	561697734	/nfs/dbraw/zinc/69/77/34/561697734.db2.gz	QMXBXQXGFBBBFL-AZKZNFPZSA-N	0	0	512.540	2.846	1	0		KFAFRN
Cc1nc2sccn2c1C(=O)OCCOCCOCCOCCOC(=O)c1c(C)nc2sccn21	ZINC000005800949	561698301	/nfs/dbraw/zinc/69/83/01/561698301.db2.gz	PRQRDHSPTLBFBW-UHFFFAOYSA-N	0	0	522.605	2.785	1	0		KFAFRN
COc1cc(/C=C2\NC(=O)[C@@H](Cc3cc(OC)c(OC)c(C)c3OC)N(C(C)=O)C2=O)c(OC)c(C)c1OC	ZINC000005811222	561698486	/nfs/dbraw/zinc/69/84/86/561698486.db2.gz	QVHCDQLNIRHUJF-KJAJEWJFSA-N	0	0	542.585	2.812	1	0		KFAFRN
COc1cc(/C=C2\NC(=O)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)N(C(C)=O)C2=O)c(OC)c(C)c1OC	ZINC000005811223	561698507	/nfs/dbraw/zinc/69/85/07/561698507.db2.gz	QVHCDQLNIRHUJF-SOFZFKJRSA-N	0	0	542.585	2.812	1	0		KFAFRN
C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(I)c2)N(C)C(=O)CNC(=O)[C@H](C)C1	ZINC000005822646	561698783	/nfs/dbraw/zinc/69/87/83/561698783.db2.gz	OXZSDRMSCOSPIT-RXVRGPCASA-N	0	0	627.520	2.931	1	0		KFAFRN
CC1(C)CNC[C@@](C)(OCc2ccccc2)C(=O)NC(C)(C)CNC[C@@](C)(OCc2ccccc2)C(=O)N1	ZINC000005835773	561699075	/nfs/dbraw/zinc/69/90/75/561699075.db2.gz	JSBUWPSHJRQPDC-LOYHVIPDSA-N	0	0	524.706	2.920	1	0		KFAFRN
CC1(C)CNC[C@](C)(OCc2ccccc2)C(=O)NC(C)(C)CNC[C@@](C)(OCc2ccccc2)C(=O)N1	ZINC000005835775	561699048	/nfs/dbraw/zinc/69/90/48/561699048.db2.gz	JSBUWPSHJRQPDC-RNPORBBMSA-N	0	0	524.706	2.920	1	0		KFAFRN
CC1(C)CNC[C@](C)(OCc2ccccc2)C(=O)NC(C)(C)CNC[C@](C)(OCc2ccccc2)C(=O)N1	ZINC000005835785	561699057	/nfs/dbraw/zinc/69/90/57/561699057.db2.gz	JSBUWPSHJRQPDC-KYJUHHDHSA-N	0	0	524.706	2.920	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1	ZINC000005838849	561699129	/nfs/dbraw/zinc/69/91/29/561699129.db2.gz	SAGBWAVFZFVBBQ-GWNOIRNCSA-N	0	0	506.507	2.856	1	0	biogenic,in-vitro	KFAFRN
COC(=O)[C@H](Cc1c2ccccc2[nH]c1-c1[nH]c2ccccc2c1C[C@H](NC(C)=O)C(=O)OC)NC(C)=O	ZINC000005848047	561699481	/nfs/dbraw/zinc/69/94/81/561699481.db2.gz	VUINVNYAWNOGJG-ZEQRLZLVSA-N	0	0	518.570	2.757	1	0		KFAFRN
COC(=O)[C@@H](Cc1c2ccccc2[nH]c1-c1[nH]c2ccccc2c1C[C@H](NC(C)=O)C(=O)OC)NC(C)=O	ZINC000005848053	561699511	/nfs/dbraw/zinc/69/95/11/561699511.db2.gz	VUINVNYAWNOGJG-PSWAGMNNSA-N	0	0	518.570	2.757	1	0		KFAFRN
COC(=O)[C@@H](Cc1c2ccccc2[nH]c1-c1[nH]c2ccccc2c1C[C@@H](NC(C)=O)C(=O)OC)NC(C)=O	ZINC000005848062	561699509	/nfs/dbraw/zinc/69/95/09/561699509.db2.gz	VUINVNYAWNOGJG-DNQXCXABSA-N	0	0	518.570	2.757	1	0		KFAFRN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2-c2[nH]c3ccccc3c2C[C@@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N1	ZINC000005848075	561699496	/nfs/dbraw/zinc/69/94/96/561699496.db2.gz	LSKBQKYNXKBBGA-DSITVLBTSA-N	0	0	541.608	2.568	1	0		KFAFRN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2-c2[nH]c3ccccc3c2C[C@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N1	ZINC000005848083	561699487	/nfs/dbraw/zinc/69/94/87/561699487.db2.gz	LSKBQKYNXKBBGA-SDHOMARFSA-N	0	0	541.608	2.568	1	0		KFAFRN
O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O	ZINC000005851042	561699640	/nfs/dbraw/zinc/69/96/40/561699640.db2.gz	PAUMLIPRWJWMSM-UHFFFAOYSA-N	0	0	542.436	2.775	1	0		KFAFRN
CCOC(=O)[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@@]12c1ccccc1N(C(C)=O)[C@@H]2C(/C=C/C(=O)OC)=C/C(=O)OC	ZINC000005884050	561699932	/nfs/dbraw/zinc/69/99/32/561699932.db2.gz	WBODFZWALHWKTH-YCEDDETDSA-N	0	0	610.685	2.823	1	0		KFAFRN
CCOC(=O)[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@]12c1ccccc1N(C(C)=O)[C@@H]2C(/C=C/C(=O)OC)=C/C(=O)OC	ZINC000005884063	561699962	/nfs/dbraw/zinc/69/99/62/561699962.db2.gz	WBODFZWALHWKTH-KSJIFVDSSA-N	0	0	610.685	2.823	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccccc4C(=O)[O-])cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C	ZINC000005922298	561700084	/nfs/dbraw/zinc/70/00/84/561700084.db2.gz	HXDVAKMECZKKPA-UHFFFAOYSA-N	0	0	616.679	2.839	1	0		KFAFRN
C[C@@H]1OC(=O)/C(=C\N(C)C)[C@H]2CC(=O)N(CCc3cn(S(=O)(=O)C(F)(F)F)c4ccccc34)C[C@H]12	ZINC000005923650	561700280	/nfs/dbraw/zinc/70/02/80/561700280.db2.gz	DEWFJUMRJTWDMV-HIBXVJLUSA-N	0	0	513.538	2.737	1	0		KFAFRN
CC(=O)Oc1ccc(/C=C/C(=O)NCCOC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O	ZINC000005939669	561700521	/nfs/dbraw/zinc/70/05/21/561700521.db2.gz	AAOUHTYFBALOPI-MKICQXMISA-N	0	0	553.520	2.774	1	0		KFAFRN
CO[C@H]([C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](O)COC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O	ZINC000006001685	561700704	/nfs/dbraw/zinc/70/07/04/561700704.db2.gz	RXVDFCFZTKNZRJ-WLBXEJSFSA-N	0	0	602.596	2.659	1	0		KFAFRN
CO[C@@H]([C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](O)COC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O	ZINC000006001687	561700707	/nfs/dbraw/zinc/70/07/07/561700707.db2.gz	RXVDFCFZTKNZRJ-RVUATISTSA-N	0	0	602.596	2.659	1	0		KFAFRN
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](Nc2ncc(-c3ccc(C)cc3)s2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000006001744	561700727	/nfs/dbraw/zinc/70/07/27/561700727.db2.gz	BPFBUDWVWDTPFY-QZUCXDRTSA-N	0	0	520.560	2.614	1	0		KFAFRN
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](Nc2ncc(-c3ccc(C)cc3)s2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000006001749	561700724	/nfs/dbraw/zinc/70/07/24/561700724.db2.gz	BPFBUDWVWDTPFY-VFMKGFAKSA-N	0	0	520.560	2.614	1	0		KFAFRN
COC(=O)[C@H](COC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1	ZINC000006004025	561701128	/nfs/dbraw/zinc/70/11/28/561701128.db2.gz	FIXAUSHLUBEOCJ-IMKUFCKBSA-N	0	0	612.540	2.742	1	0		KFAFRN
COC(=O)[C@@H](COC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1	ZINC000006004027	561701195	/nfs/dbraw/zinc/70/11/95/561701195.db2.gz	FIXAUSHLUBEOCJ-DRTYOXFSSA-N	0	0	612.540	2.742	1	0		KFAFRN
C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000006004140	561701122	/nfs/dbraw/zinc/70/11/22/561701122.db2.gz	CDNASUWNAKBKCH-DNFKTOMUSA-N	0	0	609.053	2.881	1	0		KFAFRN
C[C@H](OC(C)(C)C)[C@H](NC(=O)[C@H]([NH3+])CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000006005159	561701384	/nfs/dbraw/zinc/70/13/84/561701384.db2.gz	FGYNNLAYZOIOEC-FKVLARQCSA-N	0	0	550.697	2.509	1	0		KFAFRN
O=C(/C=C1\C[C@H]2C=Nc3ccccc3C(=O)N2C1)NCCCNC(=O)/C=C1\C[C@H]2C=Nc3ccccc3C(=O)N2C1	ZINC000006018186	561701906	/nfs/dbraw/zinc/70/19/06/561701906.db2.gz	DYQBGQKTFQZNGR-KXSHQAFDSA-N	0	0	550.619	2.723	1	0		KFAFRN
COc1ccc(C=C2C(=N)Nc3ccccc3N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)cc1	ZINC000006019624	561702029	/nfs/dbraw/zinc/70/20/29/561702029.db2.gz	DGRVFHVUVWKEBH-RYZYQGMVSA-N	0	0	623.615	2.598	1	0		KFAFRN
COc1ccc(C(S[C@@H]2[C@H](O)[C@H](CO)O[C@@H]2n2ccc(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000006040206	561702065	/nfs/dbraw/zinc/70/20/65/561702065.db2.gz	BXSAVHWCMLTUKC-VWEWBFCZSA-N	0	0	562.644	2.898	1	0		KFAFRN
COc1cccc(/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]2C(=O)NC(=O)[C@H]2C)C(C)C)c2ccccc2)c1	ZINC000006718444	561703106	/nfs/dbraw/zinc/70/31/06/561703106.db2.gz	RPLVWKCKJDGYEW-ILDLSZFKSA-N	0	0	519.598	2.575	1	0		KFAFRN
CCOC(=O)c1sc([N-]c2nc3c(c(N4CC[NH2+]CC4)n2)OCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000006733305	561703247	/nfs/dbraw/zinc/70/32/47/561703247.db2.gz	YHHHXYFWLHDBNL-UHFFFAOYSA-N	0	0	585.687	2.996	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@](O)(C(=O)OC)C(=O)N2[C@H]1c1ccccc1	ZINC000008017769	561703489	/nfs/dbraw/zinc/70/34/89/561703489.db2.gz	XFDIELKKPAVQHU-SBCJZHDBSA-N	0	0	607.619	2.838	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@](O)(C(=O)OC)C(=O)N2[C@@H]1c1ccccc1	ZINC000008017778	561703469	/nfs/dbraw/zinc/70/34/69/561703469.db2.gz	XFDIELKKPAVQHU-MZXMJASYSA-N	0	0	607.619	2.838	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@](O)(C(=O)OC)C(=O)N2[C@H]1c1ccccc1	ZINC000008017781	561703491	/nfs/dbraw/zinc/70/34/91/561703491.db2.gz	XFDIELKKPAVQHU-XIZGUHLZSA-N	0	0	607.619	2.838	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@](O)(C(=O)OC)C(=O)N2[C@@H]1c1ccccc1	ZINC000008017788	561703506	/nfs/dbraw/zinc/70/35/06/561703506.db2.gz	XFDIELKKPAVQHU-NCXXJVAISA-N	0	0	607.619	2.838	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)c1c(O)n(-c2ccccc2)c(O)c13	ZINC000008018037	561703438	/nfs/dbraw/zinc/70/34/38/561703438.db2.gz	PIEHJPMGQNQUGU-LQEIXIIRSA-N	0	0	607.619	2.934	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)c1c(O)n(-c2ccccc2)c(O)c13	ZINC000008018050	561703462	/nfs/dbraw/zinc/70/34/62/561703462.db2.gz	PIEHJPMGQNQUGU-OAKZTHQSSA-N	0	0	607.619	2.934	1	0		KFAFRN
COc1ccc(-c2coc3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc3c2=O)cc1	ZINC000008035492	561704424	/nfs/dbraw/zinc/70/44/24/561704424.db2.gz	BMFOZSVMUKDKPN-WLASGYBUSA-N	0	0	598.557	2.931	1	0		KFAFRN
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008035504	561704431	/nfs/dbraw/zinc/70/44/31/561704431.db2.gz	JDAPIOVVXOAJOM-ALERHIRMSA-N	0	0	742.639	2.698	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]2C)cc1	ZINC000008035545	561704464	/nfs/dbraw/zinc/70/44/64/561704464.db2.gz	DWYKDQZHOOPEGH-DTTBIUFHSA-N	0	0	542.654	2.688	1	0		KFAFRN
CSCC[C@H]1NC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC1=O	ZINC000008035581	561704469	/nfs/dbraw/zinc/70/44/69/561704469.db2.gz	FVHUOHJFRQCFMX-LPCPZKKJSA-N	0	0	514.710	2.727	1	0		KFAFRN
CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C	ZINC000008035586	561704471	/nfs/dbraw/zinc/70/44/71/561704471.db2.gz	NDMZHZXJCWIFEN-LLGMXVFDSA-N	0	0	558.672	2.513	1	0		KFAFRN
CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)C(=O)N(CC(=O)OC)C(=O)N2C1=O	ZINC000008679977	561706899	/nfs/dbraw/zinc/70/68/99/561706899.db2.gz	YISUNNISSHNLTM-USFMNVFSSA-N	0	0	555.587	2.868	1	0		KFAFRN
O=C(NC1CCCC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1	ZINC000009616843	561709170	/nfs/dbraw/zinc/70/91/70/561709170.db2.gz	QEKROOJLYWQYEV-UHFFFAOYSA-N	0	0	521.577	2.940	1	0		KFAFRN
C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1N=NC(=S)S1	ZINC000010450460	561709462	/nfs/dbraw/zinc/70/94/62/561709462.db2.gz	OMBKWZNZMXWHMG-LRDDRELGSA-N	0	0	559.617	2.879	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1	ZINC000010743191	561709434	/nfs/dbraw/zinc/70/94/34/561709434.db2.gz	LFKITAOQQDIAJF-KNOXWWKRSA-N	0	0	546.709	2.672	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1	ZINC000010743192	561709483	/nfs/dbraw/zinc/70/94/83/561709483.db2.gz	LFKITAOQQDIAJF-RTOMLYRKSA-N	0	0	546.709	2.672	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(N)=O	ZINC000010743297	561709514	/nfs/dbraw/zinc/70/95/14/561709514.db2.gz	HFNOJRNMQBCLBR-OBDYRVMHSA-N	0	0	568.715	2.687	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(N)=O	ZINC000010743298	561709547	/nfs/dbraw/zinc/70/95/47/561709547.db2.gz	HFNOJRNMQBCLBR-KLJDGLGGSA-N	0	0	568.715	2.687	1	0		KFAFRN
CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H]2CN(c3ccc(N4CCS(=O)CC4)c(F)c3)C(=O)O2)cc1	ZINC000011524814	561709712	/nfs/dbraw/zinc/70/97/12/561709712.db2.gz	INUSKWDPIJOLOA-ZSIUJALASA-N	0	0	514.579	2.508	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O	ZINC000011726236	561709869	/nfs/dbraw/zinc/70/98/69/561709869.db2.gz	BWYBBMQLUKXECQ-NRSPTQNISA-N	0	0	540.642	2.899	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)[C@H](O)[C@@H]1O	ZINC000012405738	561710645	/nfs/dbraw/zinc/71/06/45/561710645.db2.gz	BJMVUAWWHANVSA-VBHAUSMQSA-N	0	0	535.004	2.749	1	0		KFAFRN
Cc1ccc(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)cc1	ZINC000012405743	561710767	/nfs/dbraw/zinc/71/07/67/561710767.db2.gz	LSAKNJKESGUSBE-OVDFTCDZSA-N	0	0	567.650	2.690	1	0		KFAFRN
Cc1ccc(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)cc1C	ZINC000012405744	561710751	/nfs/dbraw/zinc/71/07/51/561710751.db2.gz	PAMVRGDIJNOLHC-CKXMCULTSA-N	0	0	581.677	2.999	1	0		KFAFRN
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)c1	ZINC000012405745	561710757	/nfs/dbraw/zinc/71/07/57/561710757.db2.gz	QUEYDCNEMRTJRL-CKXMCULTSA-N	0	0	581.677	2.999	1	0		KFAFRN
COCCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)[C@H](O)[C@@H]1O	ZINC000012405754	561710739	/nfs/dbraw/zinc/71/07/39/561710739.db2.gz	QYTGLQSFFRCELA-YRIIQKNPSA-N	0	0	606.083	2.519	1	0		KFAFRN
Cc1c(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc2n1C1CCCC1	ZINC000012405756	561710756	/nfs/dbraw/zinc/71/07/56/561710756.db2.gz	ROTMVPWGOLVDJW-APSVEGKFSA-N	0	0	545.644	2.757	1	0		KFAFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2cn(Cc3cc(C)ccc3C)c3ccccc23)[C@H](O)[C@@H]1O	ZINC000012405763	561710738	/nfs/dbraw/zinc/71/07/38/561710738.db2.gz	FCHGFGHOISOOIF-OVDFTCDZSA-N	0	0	569.666	2.856	1	0		KFAFRN
CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)O1	ZINC000012405878	561710764	/nfs/dbraw/zinc/71/07/64/561710764.db2.gz	HKUMPRPHQWARCG-IQUTYRLHSA-N	0	0	570.775	2.662	1	0		KFAFRN
CCOC(=O)C1=C(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)Nc2ccccc2N=C1CC	ZINC000013138239	561711523	/nfs/dbraw/zinc/71/15/23/561711523.db2.gz	LLNIOKRKZFYEDZ-UHFFFAOYSA-N	0	0	512.588	2.820	1	0		KFAFRN
CN(CCn1cnc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21)S(C)(=O)=O	ZINC000013441695	561712756	/nfs/dbraw/zinc/71/27/56/561712756.db2.gz	QFEZHIKPNZNJSX-UHFFFAOYSA-N	0	0	511.604	2.689	1	0		KFAFRN
CC(=O)NCC(=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1	ZINC000013441712	561712708	/nfs/dbraw/zinc/71/27/08/561712708.db2.gz	OZHDGCVFOGHNHP-UHFFFAOYSA-N	0	0	504.543	2.947	1	0		KFAFRN
CCCCOc1ccc(-c2ccc(S(=O)(=O)C[C@@H](CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1	ZINC000013471914	561714029	/nfs/dbraw/zinc/71/40/29/561714029.db2.gz	NATAXQWJZDVABL-HXUWFJFHSA-N	0	0	517.604	2.853	1	0		KFAFRN
CCCCOc1ccc(-c2ccc(S(=O)(=O)C[C@H](CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1	ZINC000013471915	561714038	/nfs/dbraw/zinc/71/40/38/561714038.db2.gz	NATAXQWJZDVABL-FQEVSTJZSA-N	0	0	517.604	2.853	1	0		KFAFRN
CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N(O)C=O)C1=O	ZINC000013471916	561714034	/nfs/dbraw/zinc/71/40/34/561714034.db2.gz	BYBOLCACCXBYNF-KRWDZBQOSA-N	0	0	513.494	2.693	1	0		KFAFRN
CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N(O)C=O)C1=O	ZINC000013471917	561714074	/nfs/dbraw/zinc/71/40/74/561714074.db2.gz	BYBOLCACCXBYNF-QGZVFWFLSA-N	0	0	513.494	2.693	1	0		KFAFRN
CN1C(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C	ZINC000013471930	561714136	/nfs/dbraw/zinc/71/41/36/561714136.db2.gz	SBVGWUXDJBPGDG-INIZCTEOSA-N	0	0	509.968	2.795	1	0		KFAFRN
CN1C(=O)N(C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C	ZINC000013471931	561714093	/nfs/dbraw/zinc/71/40/93/561714093.db2.gz	SBVGWUXDJBPGDG-MRXNPFEDSA-N	0	0	509.968	2.795	1	0		KFAFRN
CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)nc2c1=O	ZINC000013473009	561714342	/nfs/dbraw/zinc/71/43/42/561714342.db2.gz	QTBMOCRVBFJFDG-UHFFFAOYSA-N	0	0	502.575	2.608	1	0		KFAFRN
CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O	ZINC000013473010	561714390	/nfs/dbraw/zinc/71/43/90/561714390.db2.gz	AARZBDDJPFYPSG-UHFFFAOYSA-N	0	0	516.602	2.603	1	0		KFAFRN
O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(-c2[nH][nH]c(=O)c3cccc(=O)c2-3)c(O)c1)c1ccc(O)cc1	ZINC000013474187	561714463	/nfs/dbraw/zinc/71/44/63/561714463.db2.gz	NMEBHVJGDHILBV-DYESRHJHSA-N	0	0	517.494	2.920	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@@H](NC(=O)O[C@@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000013475088	561714581	/nfs/dbraw/zinc/71/45/81/561714581.db2.gz	UQLIOXPUOMTMBL-PTUXOGIPSA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)CN(C[C@H](O)[C@@H](NC(=O)O[C@@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000013475089	561714609	/nfs/dbraw/zinc/71/46/09/561714609.db2.gz	UQLIOXPUOMTMBL-OIBXWCBGSA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@@H](NC(=O)O[C@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000013475090	561714620	/nfs/dbraw/zinc/71/46/20/561714620.db2.gz	UQLIOXPUOMTMBL-PMOQBDJRSA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)CN(C[C@H](O)[C@@H](NC(=O)O[C@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000013475091	561714597	/nfs/dbraw/zinc/71/45/97/561714597.db2.gz	UQLIOXPUOMTMBL-VJBMBRPKSA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)CN(C[C@H](O)[C@H](NC(=O)O[C@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000013475092	561714613	/nfs/dbraw/zinc/71/46/13/561714613.db2.gz	UQLIOXPUOMTMBL-AJSBUHFISA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](NC(=O)O[C@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000013475093	561714627	/nfs/dbraw/zinc/71/46/27/561714627.db2.gz	UQLIOXPUOMTMBL-WWPVKYPJSA-N	0	0	523.677	2.910	1	0		KFAFRN
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O	ZINC000013486975	561714978	/nfs/dbraw/zinc/71/49/78/561714978.db2.gz	VQXMYKHZVHNFTJ-UHFFFAOYSA-N	0	0	512.010	2.691	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OC(F)F	ZINC000013489018	561715609	/nfs/dbraw/zinc/71/56/09/561715609.db2.gz	MIKVZEXDFZNDDM-UHFFFAOYSA-N	0	0	515.851	2.652	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(OC(F)F)c1	ZINC000013489023	561715631	/nfs/dbraw/zinc/71/56/31/561715631.db2.gz	CGCNPQQYXKAMLY-UHFFFAOYSA-N	0	0	515.851	2.652	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1F	ZINC000013489026	561715560	/nfs/dbraw/zinc/71/55/60/561715560.db2.gz	CDSAOICWRXPMSB-UHFFFAOYSA-N	0	0	502.280	2.843	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccc(F)c(Cl)c1	ZINC000013489027	561715627	/nfs/dbraw/zinc/71/56/27/561715627.db2.gz	PDHPCIZPISXVIY-UHFFFAOYSA-N	0	0	502.280	2.843	1	0		KFAFRN
CCN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O	ZINC000013492503	561716283	/nfs/dbraw/zinc/71/62/83/561716283.db2.gz	QHBIEGLEVDVROO-XDZXDJIYSA-N	0	0	512.628	2.686	1	0		KFAFRN
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1coc(C(=N)N)c1)C(c1ccccc1)c1ccccc1	ZINC000013525360	561717261	/nfs/dbraw/zinc/71/72/61/561717261.db2.gz	ZHPJCKOOPCPAMK-XUZZJYLKSA-N	0	0	517.586	2.728	1	0		KFAFRN
Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3nc(N)nc(N)c3c2)n1	ZINC000013527777	561717395	/nfs/dbraw/zinc/71/73/95/561717395.db2.gz	GJSOSYVBARIGQO-UHFFFAOYSA-N	0	0	514.571	2.855	1	0		KFAFRN
CSCC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)N2CCCC2)c1)C(=O)N1CCCC1	ZINC000013528047	561717427	/nfs/dbraw/zinc/71/74/27/561717427.db2.gz	YICBXTOOMGLABY-VXKWHMMOSA-N	0	0	534.748	2.634	1	0		KFAFRN
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1	ZINC000013528054	561717402	/nfs/dbraw/zinc/71/74/02/561717402.db2.gz	JVQRQKBQQFXKAW-DQEYMECFSA-N	0	0	502.615	2.835	1	0		KFAFRN
COCCOc1cc2c(cc1OC)ncnc2N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1	ZINC000013528703	561717530	/nfs/dbraw/zinc/71/75/30/561717530.db2.gz	WRJXGKRIXJFQMA-UHFFFAOYSA-N	0	0	511.604	2.589	1	0		KFAFRN
COCCOc1cc2ncnc(N3CCN(C(=S)NCc4ccc5c(c4)OCO5)CC3)c2cc1OC	ZINC000013528744	561717511	/nfs/dbraw/zinc/71/75/11/561717511.db2.gz	YHCWONKAWXFXDC-UHFFFAOYSA-N	0	0	511.604	2.589	1	0		KFAFRN
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O	ZINC000013532844	561717777	/nfs/dbraw/zinc/71/77/77/561717777.db2.gz	FZADIGASTHDCEN-FQEVSTJZSA-N	0	0	512.501	2.778	1	0		KFAFRN
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)c2nc3ncccc3o2)c1=O	ZINC000013532847	561717754	/nfs/dbraw/zinc/71/77/54/561717754.db2.gz	FZADIGASTHDCEN-HXUWFJFHSA-N	0	0	512.501	2.778	1	0		KFAFRN
O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2CCCCC2)NC(=O)CCCCN1	ZINC000013537330	561717997	/nfs/dbraw/zinc/71/79/97/561717997.db2.gz	SDVDEFWBLCBKCC-SQJMNOBHSA-N	0	0	533.069	2.691	1	0		KFAFRN
O=C(c1ccco1)N1CCN(c2ccc(=O)n(CCCN3CCN(c4ccccc4Cl)CC3)n2)CC1	ZINC000013558462	561719351	/nfs/dbraw/zinc/71/93/51/561719351.db2.gz	XUTIANNRFQLLOU-UHFFFAOYSA-N	0	0	511.026	2.664	1	0		KFAFRN
CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21	ZINC000013559666	561719606	/nfs/dbraw/zinc/71/96/06/561719606.db2.gz	IIYLHXDBXNFGRZ-UHFFFAOYSA-N	0	0	522.556	2.889	1	0		KFAFRN
COc1ccc([O-])c(C(=O)c2ccc(C(=O)O[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1F	ZINC000013559688	561719556	/nfs/dbraw/zinc/71/95/56/561719556.db2.gz	VYPRIFLEMOQRJK-TZIWHRDSSA-N	0	0	507.518	2.873	1	0	in-vitro	KFAFRN
CC(C)Cn1c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)nc2c(=O)n(CC(C)C)c1=O	ZINC000013559757	561719554	/nfs/dbraw/zinc/71/95/54/561719554.db2.gz	ZASWTQRANFXXQJ-UHFFFAOYSA-N	0	0	511.558	2.755	1	0		KFAFRN
CC(C)Cn1c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)nc2c(=O)n(CC(C)C)c1=O	ZINC000013559759	561719610	/nfs/dbraw/zinc/71/96/10/561719610.db2.gz	HJKKLUSNLZNJEQ-UHFFFAOYSA-N	0	0	511.558	2.755	1	0		KFAFRN
Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1	ZINC000013560664	561719722	/nfs/dbraw/zinc/71/97/22/561719722.db2.gz	UQVQBJWQKAPUBT-UHFFFAOYSA-N	0	0	502.623	2.547	1	0		KFAFRN
Cc1cc(-c2ccccc2)c(C)c(C)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1	ZINC000013560666	561719702	/nfs/dbraw/zinc/71/97/02/561719702.db2.gz	BVCVYTLOMICPJW-UHFFFAOYSA-N	0	0	516.650	2.855	1	0		KFAFRN
CCCCS(=O)(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3	ZINC000013560678	561719870	/nfs/dbraw/zinc/71/98/70/561719870.db2.gz	KUAPWIOTBSKUCY-AZIXLERZSA-N	0	0	519.572	2.833	1	0		KFAFRN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1	ZINC000013561060	561719814	/nfs/dbraw/zinc/71/98/14/561719814.db2.gz	KSLIFUYWHHVFOE-UHFFFAOYSA-N	0	0	503.455	2.944	1	0		KFAFRN
Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1O)OC2	ZINC000013561136	561719854	/nfs/dbraw/zinc/71/98/54/561719854.db2.gz	NHJYARJSYQQDFV-HYIUAGOWSA-N	0	0	515.253	2.593	1	0		KFAFRN
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH2+]CCO)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)[O-]	ZINC000013583022	561720164	/nfs/dbraw/zinc/72/01/64/561720164.db2.gz	DKKUNNWNELXAKC-DPULPPKLSA-N	0	0	503.684	2.960	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)[O-])cc1	ZINC000013587699	561720855	/nfs/dbraw/zinc/72/08/55/561720855.db2.gz	DCNBOHVQLTUPPO-ZEQRLZLVSA-N	0	0	503.665	2.951	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCO)CC2)cc1	ZINC000013588302	561721000	/nfs/dbraw/zinc/72/10/00/561721000.db2.gz	NWFJDVCPFVFLHP-ZEQKJWHPSA-N	0	0	516.683	2.559	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCO)CC2)c(F)c1	ZINC000013588303	561720944	/nfs/dbraw/zinc/72/09/44/561720944.db2.gz	POIOHFUNIKZZMK-ATIYNZHBSA-N	0	0	534.673	2.698	1	0		KFAFRN
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)N1CCN(C)CC1)CCCC3)C(=O)N2	ZINC000013588484	561720965	/nfs/dbraw/zinc/72/09/65/561720965.db2.gz	YLYMUMKORCFVNX-XLNRJJMWSA-N	0	0	510.660	2.886	1	0		KFAFRN
CN1c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2O[C@H](OCc2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000013643190	561722164	/nfs/dbraw/zinc/72/21/64/561722164.db2.gz	YNSWFYMVCYAQAR-DCFHFQCYSA-N	0	0	502.527	2.815	1	0		KFAFRN
CN1c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2O[C@@H](OCc2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000013643192	561722114	/nfs/dbraw/zinc/72/21/14/561722114.db2.gz	YNSWFYMVCYAQAR-CCLHPLFOSA-N	0	0	502.527	2.815	1	0		KFAFRN
Cc1cccc(CCNS(=O)(=O)c2ccc(N(C)C(=O)/C=C/c3ccc(S(C)(=O)=O)cc3)cc2)n1	ZINC000013650015	561722784	/nfs/dbraw/zinc/72/27/84/561722784.db2.gz	VFCPOHXCFCBCSV-CXUHLZMHSA-N	0	0	513.641	2.991	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1	ZINC000013674891	561724084	/nfs/dbraw/zinc/72/40/84/561724084.db2.gz	PSTYCKJZBHYGPY-UBFVSLLYSA-N	0	0	504.631	2.508	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(C(N)=O)cc1	ZINC000013674906	561724082	/nfs/dbraw/zinc/72/40/82/561724082.db2.gz	PSTYCKJZBHYGPY-SDHSZQHLSA-N	0	0	504.631	2.508	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c2ccc(OC)cc2)cc1	ZINC000013677339	561724292	/nfs/dbraw/zinc/72/42/92/561724292.db2.gz	KBCWEFINRBPCKH-RUZDIDTESA-N	0	0	523.611	2.728	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2ccc(OC)cc2)cc1	ZINC000013677341	561724331	/nfs/dbraw/zinc/72/43/31/561724331.db2.gz	KBCWEFINRBPCKH-VWLOTQADSA-N	0	0	523.611	2.728	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3[C@@H]2C(N)=O)c2ccc(OC)cc2)cc1	ZINC000013677343	561724318	/nfs/dbraw/zinc/72/43/18/561724318.db2.gz	JLUOCMJZZOWQOH-RUZDIDTESA-N	0	0	509.584	2.858	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N(CC(=O)N2Cc3ccccc3[C@H]2C(N)=O)c2ccc(OC)cc2)cc1	ZINC000013677345	561724316	/nfs/dbraw/zinc/72/43/16/561724316.db2.gz	JLUOCMJZZOWQOH-VWLOTQADSA-N	0	0	509.584	2.858	1	0		KFAFRN
CCCn1c2cc(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)[nH]c2c(=O)n(CCC)c1=O	ZINC000013678904	561724525	/nfs/dbraw/zinc/72/45/25/561724525.db2.gz	GPFAWXMAIJMLRE-UHFFFAOYSA-N	0	0	522.562	2.803	1	0		KFAFRN
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@@H]21)N3S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1	ZINC000013681487	561724621	/nfs/dbraw/zinc/72/46/21/561724621.db2.gz	JSSIHCODECAEKT-MIZPHKNDSA-N	0	0	517.604	2.740	1	0		KFAFRN
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1	ZINC000013681489	561724655	/nfs/dbraw/zinc/72/46/55/561724655.db2.gz	JSSIHCODECAEKT-MZKRTTBSSA-N	0	0	517.604	2.740	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C	ZINC000013739991	561725962	/nfs/dbraw/zinc/72/59/62/561725962.db2.gz	MNQAOIWUQNYQED-BPUTZDHNSA-N	0	0	509.472	2.933	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nccn1C	ZINC000013740115	561725948	/nfs/dbraw/zinc/72/59/48/561725948.db2.gz	RMTNLSUJPMQRAE-FKBYEOEOSA-N	0	0	511.623	2.686	1	0		KFAFRN
COc1cc2c(c(C(C)C)c1)C(=O)N(COc1nc3ccccn3c(=O)c1Br)S2(=O)=O	ZINC000013744357	561726620	/nfs/dbraw/zinc/72/66/20/561726620.db2.gz	NJDFQRWPQDFKNR-UHFFFAOYSA-N	0	0	508.350	2.770	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(OC)cc1	ZINC000013759548	561727532	/nfs/dbraw/zinc/72/75/32/561727532.db2.gz	VPRUMEOQBRFKRM-KMDXXIMOSA-N	0	0	527.618	2.650	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(OC)cc1	ZINC000013759550	561727525	/nfs/dbraw/zinc/72/75/25/561727525.db2.gz	VPRUMEOQBRFKRM-HJOGWXRNSA-N	0	0	527.618	2.650	1	0		KFAFRN
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(C)C)C(=O)C(F)(F)F	ZINC000013762526	561728124	/nfs/dbraw/zinc/72/81/24/561728124.db2.gz	JFQJERYZFGMYNP-ZCNNSNEGSA-N	0	0	512.573	2.770	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C	ZINC000013762529	561728131	/nfs/dbraw/zinc/72/81/31/561728131.db2.gz	JFQJERYZFGMYNP-UFYCRDLUSA-N	0	0	512.573	2.770	1	0		KFAFRN
COc1cccc(OC)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C	ZINC000013762569	561728265	/nfs/dbraw/zinc/72/82/65/561728265.db2.gz	UCLPVAZOHLFRPO-YSSFQJQWSA-N	0	0	529.556	2.721	1	0		KFAFRN
COc1cccc(OC)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C	ZINC000013762571	561728256	/nfs/dbraw/zinc/72/82/56/561728256.db2.gz	UCLPVAZOHLFRPO-BEVDRBHNSA-N	0	0	529.556	2.721	1	0		KFAFRN
COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1OC	ZINC000013762599	561728321	/nfs/dbraw/zinc/72/83/21/561728321.db2.gz	RSVOYEVOHLPJFX-VDGAXYAQSA-N	0	0	529.556	2.721	1	0		KFAFRN
COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1OC	ZINC000013762601	561728303	/nfs/dbraw/zinc/72/83/03/561728303.db2.gz	RSVOYEVOHLPJFX-DBVUQKKJSA-N	0	0	529.556	2.721	1	0		KFAFRN
CCCCN(Cc1ccccc1)C(=O)[C@H](CC(=O)[O-])NC(=O)C[C@@H]1CC(c2ccc(C(N)=[NH2+])cc2)=NO1	ZINC000013763243	561728268	/nfs/dbraw/zinc/72/82/68/561728268.db2.gz	NFBCCYQAXXOSIB-GMAHTHKFSA-N	0	0	507.591	2.642	1	0		KFAFRN
CCCCN(Cc1ccccc1)C(=O)[C@H](CC(=O)[O-])NC(=O)C[C@H]1CC(c2ccc(C(N)=[NH2+])cc2)=NO1	ZINC000013763245	561728243	/nfs/dbraw/zinc/72/82/43/561728243.db2.gz	NFBCCYQAXXOSIB-GGAORHGYSA-N	0	0	507.591	2.642	1	0		KFAFRN
NC(=[NH2+])c1ccc(C2=NO[C@@H](CC(=O)NC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C(=O)[O-])C2)cc1	ZINC000013763315	561728311	/nfs/dbraw/zinc/72/83/11/561728311.db2.gz	QSCIPTKWRWYSEY-VWNXMTODSA-N	0	0	513.554	2.520	1	0		KFAFRN
NC(=[NH2+])c1ccc(C2=NO[C@H](CC(=O)NC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C(=O)[O-])C2)cc1	ZINC000013763318	561728263	/nfs/dbraw/zinc/72/82/63/561728263.db2.gz	QSCIPTKWRWYSEY-UPVQGACJSA-N	0	0	513.554	2.520	1	0		KFAFRN
CCCS(=O)(=O)N(C)CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000013765583	561728374	/nfs/dbraw/zinc/72/83/74/561728374.db2.gz	NGNWEUHXBRIURS-HUVFLSCGSA-N	0	0	504.605	2.937	1	0		KFAFRN
COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1ccc2c(c1)OCO2	ZINC000013796704	561730120	/nfs/dbraw/zinc/73/01/20/561730120.db2.gz	IMFCNBJRTYHSIN-UHFFFAOYSA-N	0	0	522.554	2.789	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C	ZINC000013797470	561730095	/nfs/dbraw/zinc/73/00/95/561730095.db2.gz	CGFVYUGIPISJQG-ACIOBRDBSA-N	0	0	527.687	2.997	1	0	in-vitro	KFAFRN
CCCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C	ZINC000013797482	561730118	/nfs/dbraw/zinc/73/01/18/561730118.db2.gz	PECWBSURELSITO-FIXSFTCYSA-N	0	0	527.687	2.863	1	0		KFAFRN
CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CC[NH2+]CC3)cc2s1)C(=O)[O-]	ZINC000013798428	561730155	/nfs/dbraw/zinc/73/01/55/561730155.db2.gz	KFNHSIQLBWLFMH-INIZCTEOSA-N	0	0	501.696	2.798	1	0		KFAFRN
Nc1cccc(-c2cncc([C@@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)c1	ZINC000013803165	561730952	/nfs/dbraw/zinc/73/09/52/561730952.db2.gz	GHKOZFUXJGLMAL-PXDATVDWSA-N	0	0	507.635	2.981	1	0		KFAFRN
Nc1cccc(-c2cncc([C@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)c1	ZINC000013803168	561730953	/nfs/dbraw/zinc/73/09/53/561730953.db2.gz	GHKOZFUXJGLMAL-BWKNWUBXSA-N	0	0	507.635	2.981	1	0		KFAFRN
Nc1cccc(-c2cncc([C@@H](CC(=O)[O-])NC(=O)[C@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)c1	ZINC000013803170	561730971	/nfs/dbraw/zinc/73/09/71/561730971.db2.gz	GHKOZFUXJGLMAL-SQJMNOBHSA-N	0	0	507.635	2.981	1	0		KFAFRN
Nc1cccc(-c2cncc([C@H](CC(=O)[O-])NC(=O)[C@H]3CCCN(C(=O)CCC4CC[NH2+]CC4)C3)c2)c1	ZINC000013803172	561730945	/nfs/dbraw/zinc/73/09/45/561730945.db2.gz	GHKOZFUXJGLMAL-OFVILXPXSA-N	0	0	507.635	2.981	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NC)cc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000013806295	561731501	/nfs/dbraw/zinc/73/15/01/561731501.db2.gz	GRETWLGUICNQCQ-UHFFFAOYSA-N	0	0	518.574	2.750	1	0		KFAFRN
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1CNC(=O)c1ccccc1	ZINC000013813397	561731865	/nfs/dbraw/zinc/73/18/65/561731865.db2.gz	TYIREKPLERMDCV-FQEVSTJZSA-N	0	0	518.437	2.753	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc2cc(Br)ccc21)C(=O)N[C@H]1CC(=O)O[C@@H]1O	ZINC000013819087	561732514	/nfs/dbraw/zinc/73/25/14/561732514.db2.gz	HFRMGMUQOMNLHR-OFBGFOQGSA-N	0	0	507.381	2.651	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc2cc(Br)ccc21)C(=O)N[C@H]1CC(=O)O[C@@H]1O	ZINC000013819090	561732501	/nfs/dbraw/zinc/73/25/01/561732501.db2.gz	HFRMGMUQOMNLHR-LRHBPRNXSA-N	0	0	507.381	2.651	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc2cc(Br)ccc21)C(=O)N[C@H]1CC(=O)O[C@H]1O	ZINC000013819093	561732478	/nfs/dbraw/zinc/73/24/78/561732478.db2.gz	HFRMGMUQOMNLHR-STHPHPIISA-N	0	0	507.381	2.651	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc2cc(Br)ccc21)C(=O)N[C@H]1CC(=O)O[C@H]1O	ZINC000013819095	561732442	/nfs/dbraw/zinc/73/24/42/561732442.db2.gz	HFRMGMUQOMNLHR-WYIWGDKMSA-N	0	0	507.381	2.651	1	0		KFAFRN
Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)C(C)C)o2)c1	ZINC000013835713	561734314	/nfs/dbraw/zinc/73/43/14/561734314.db2.gz	OURIYGWWUSWKFS-QHCPKHFHSA-N	0	0	518.549	2.938	1	0		KFAFRN
O=C(/C=C/C(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(F)c(Cl)c1)NCCCN1CCOCC1	ZINC000013861833	561734740	/nfs/dbraw/zinc/73/47/40/561734740.db2.gz	KNXXEFGLJICDBL-SNAWJCMRSA-N	0	0	513.961	2.894	1	0		KFAFRN
COc1ccc(-c2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)C(C)C)o2)cc1	ZINC000013862571	561734885	/nfs/dbraw/zinc/73/48/85/561734885.db2.gz	SJUJFSKKKYJEMF-NRFANRHFSA-N	0	0	520.521	2.714	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(Cc2ccccc2)o1	ZINC000013862573	561734858	/nfs/dbraw/zinc/73/48/58/561734858.db2.gz	BLMZZFJXBMPCNS-QFIPXVFZSA-N	0	0	504.522	2.629	1	0		KFAFRN
CC(C)(C)OC(=O)CN1c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc2C(=O)C1=O	ZINC000013863065	561734980	/nfs/dbraw/zinc/73/49/80/561734980.db2.gz	ICYOAHGNCPYQFG-KRWDZBQOSA-N	0	0	500.573	2.790	1	0		KFAFRN
CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)OCc3cc4c(cc3Cl)OCO4)CC2)C1=O	ZINC000013864305	561735273	/nfs/dbraw/zinc/73/52/73/561735273.db2.gz	MGQWBNMDNGXQQY-UHFFFAOYSA-N	0	0	514.966	2.592	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC[C@@H]2CCC[NH2+]C2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2ccccc2)CC1	ZINC000013976076	561735848	/nfs/dbraw/zinc/73/58/48/561735848.db2.gz	XVYFBYVSZOCXRJ-ARNLJNQMSA-N	0	0	512.651	2.745	1	0		KFAFRN
COC(=O)c1ccc2oc(C(=O)[C@H](Cc3ccccc3)NC(=O)Cn3c(-c4cccc(N)c4)ncc(N)c3=O)nc2c1	ZINC000014096505	561736578	/nfs/dbraw/zinc/73/65/78/561736578.db2.gz	KCPCIJRBSCGYDV-QHCPKHFHSA-N	0	0	566.574	2.613	1	0		KFAFRN
C[C@@H](O)CNc1nc(NCc2ccc3c(c2)OCO3)c2nc(NC[C@H](C)O)nc(NCc3ccc4c(c3)OCO4)c2n1	ZINC000014128364	561736958	/nfs/dbraw/zinc/73/69/58/561736958.db2.gz	FZDLWKRPNJZIIA-IYBDPMFKSA-N	0	0	576.614	2.687	1	0		KFAFRN
C[C@H](O)CNc1nc(NCc2ccc3c(c2)OCO3)c2nc(NC[C@H](C)O)nc(NCc3ccc4c(c3)OCO4)c2n1	ZINC000014128365	561736952	/nfs/dbraw/zinc/73/69/52/561736952.db2.gz	FZDLWKRPNJZIIA-HOTGVXAUSA-N	0	0	576.614	2.687	1	0		KFAFRN
CCCCCC[N@H+](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000014164650	561737216	/nfs/dbraw/zinc/73/72/16/561737216.db2.gz	XIMITGPWYYFUQF-FPOVZHCZSA-N	0	0	575.711	2.836	1	0	in-vitro	KFAFRN
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	ZINC000014165884	561737153	/nfs/dbraw/zinc/73/71/53/561737153.db2.gz	GIZJWWQFOGQPRY-RRGQHJHPSA-N	0	0	577.685	2.655	1	0	in-vivo	KFAFRN
O=C(OCOP(=O)(CCN1CCCNc2c(=O)c(=O)c21)OCOC(=O)c1ccccc1)c1ccccc1	ZINC000014210436	561737798	/nfs/dbraw/zinc/73/77/98/561737798.db2.gz	FBWMBPJYJJNSMN-UHFFFAOYSA-N	0	0	528.454	2.760	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O	ZINC000014210459	561737790	/nfs/dbraw/zinc/73/77/90/561737790.db2.gz	BNIYEGMNETZYGX-ZRRKCSAHSA-N	0	0	552.716	2.763	1	0		KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000014210918	561737979	/nfs/dbraw/zinc/73/79/79/561737979.db2.gz	CUZHVTKMXOGVKA-OALUTQOASA-N	0	0	532.981	2.715	1	0	in-vitro	KFAFRN
COC(=O)N(C(=O)OC)N1C(=O)C[C@]2(C1=O)c1ccccc1C(=O)N(Cc1ccc(Br)cc1F)C2=O	ZINC000014261583	561738588	/nfs/dbraw/zinc/73/85/88/561738588.db2.gz	MOVXQVNNHAJGBM-QHCPKHFHSA-N	0	0	562.304	2.517	1	0		KFAFRN
CC(=O)NN1C(=O)C[C@@]2(C1=O)c1ccccc1C(=O)N(Cc1nc3cc(C(F)(F)F)ccc3s1)C2=O	ZINC000014263391	561738737	/nfs/dbraw/zinc/73/87/37/561738737.db2.gz	ZFNHTOOHTMJAJI-JOCHJYFZSA-N	0	0	516.457	2.546	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cn1ccc2c(=O)n(CCc3cccc4ccccc43)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F	ZINC000014278044	561739065	/nfs/dbraw/zinc/73/90/65/561739065.db2.gz	WFLDOEIMRXIWPT-NRFANRHFSA-N	0	0	542.514	2.520	1	0		KFAFRN
CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(-c4ccc[n+]([O-])c4)oc(=O)c3[C@H](O)[C@H]21	ZINC000014299896	561739596	/nfs/dbraw/zinc/73/95/96/561739596.db2.gz	LVPMMILGFCTZBA-IYADOWIDSA-N	0	0	599.633	2.994	1	0		KFAFRN
CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5ccc[n+]([O-])c5)oc(=O)c4[C@H](O)[C@H]3[C@@]2(C)CC[C@@H]1OC(C)=O	ZINC000014299897	561739548	/nfs/dbraw/zinc/73/95/48/561739548.db2.gz	LVPMMILGFCTZBA-ONIPYSJISA-N	0	0	599.633	2.994	1	0		KFAFRN
CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]3[C@@H](O)c4c(=O)oc(-c5ccc[n+]([O-])c5)cc4O[C@]3(C)[C@@H](OC(C)=O)C[C@H]12	ZINC000014299898	561739564	/nfs/dbraw/zinc/73/95/64/561739564.db2.gz	LVPMMILGFCTZBA-UQJNCNCCSA-N	0	0	599.633	2.994	1	0		KFAFRN
C[C@H](Cc1ccc(OC[P@](=O)([O-])c2ccccc2)cc1)[NH2+]C[C@H](O)COc1ccc(O)c(NS(C)(=O)=O)c1	ZINC000014300113	561739538	/nfs/dbraw/zinc/73/95/38/561739538.db2.gz	OMJGVUMTYYCOBO-CTNGQTDRSA-N	0	0	564.597	2.656	1	0		KFAFRN
CC(=O)O[C@H](c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)[C@H](C)N[C@H]12)C(C)C	ZINC000014615597	561739663	/nfs/dbraw/zinc/73/96/63/561739663.db2.gz	UQWRSTHNSHDTCA-RPNIZAGGSA-N	0	0	516.554	2.705	1	0		KFAFRN
CSCC[C@@H]1NC(=O)c2csc(n2)CNC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc1n2	ZINC000014615673	561739649	/nfs/dbraw/zinc/73/96/49/561739649.db2.gz	DMFUPHMBLSJHNR-ONGXEEELSA-N	0	0	506.635	2.855	1	0	in-vitro	KFAFRN
CSCC[C@H]1NC(=O)c2csc(n2)CNC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc1n2	ZINC000014615674	560223211	/nfs/dbraw/zinc/22/32/11/560223211.db2.gz	DMFUPHMBLSJHNR-GXSJLCMTSA-N	0	0	506.635	2.855	1	0	in-vitro	KFAFRN
COC(=O)[C@@H]1[C@@H](O)[C@@]2(O)c3c(cc4c(c3OC)OCO4)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000014636967	561739724	/nfs/dbraw/zinc/73/97/24/561739724.db2.gz	WMHYJLIVXJIYCQ-YXBVTMOWSA-N	0	0	506.507	2.856	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc4c(c3OC)OCO4)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000014636969	561739860	/nfs/dbraw/zinc/73/98/60/561739860.db2.gz	WMHYJLIVXJIYCQ-IKLPSFCOSA-N	0	0	506.507	2.856	1	0		KFAFRN
COC(=O)[C@H]1[C@H](O)[C@@]2(O)c3c(cc4c(c3OC)OCO4)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000014636972	291762856	/nfs/dbraw/zinc/76/28/56/291762856.db2.gz	WMHYJLIVXJIYCQ-YQJDVQQWSA-N	0	0	506.507	2.856	1	0	biogenic,in-vitro	KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc(OC)c(O)c2)[C@@H]1c1ccccc1	ZINC000014687595	560224442	/nfs/dbraw/zinc/22/44/42/560224442.db2.gz	MKTMWKCGQTXSNC-GWNOIRNCSA-N	0	0	508.523	2.841	1	0	biogenic,in-vitro	KFAFRN
COC(=O)[C@@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1	ZINC000014687632	561739832	/nfs/dbraw/zinc/73/98/32/561739832.db2.gz	SAGBWAVFZFVBBQ-DRJLMSAQSA-N	0	0	506.507	2.856	1	0		KFAFRN
Cc1oc2nc1C(=O)N[C@H]([C@@H](C)O)c1nc(cs1)C(=O)N[C@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C	ZINC000014827956	561739943	/nfs/dbraw/zinc/73/99/43/561739943.db2.gz	BJJVHBJYOXGRRO-XEQNPHJVSA-N	0	0	518.621	2.679	1	0	in-vitro	KFAFRN
CC(C)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C	ZINC000014880315	561740039	/nfs/dbraw/zinc/74/00/39/561740039.db2.gz	XQAMVCHQGHAELT-FDFHNCONSA-N	0	0	632.627	2.812	1	0		KFAFRN
CNC(=O)NCCCCCN1C(=O)N(CCCCCNC(=O)NC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1	ZINC000014908003	561740206	/nfs/dbraw/zinc/74/02/06/561740206.db2.gz	OYNFRQIQIBKTHH-XAZDILKDSA-N	0	0	610.800	2.867	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1	ZINC000014942843	561740310	/nfs/dbraw/zinc/74/03/10/561740310.db2.gz	DMVZKUWZKVVEEN-YNFNHKPXSA-N	0	0	599.841	2.532	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1	ZINC000014942845	561740257	/nfs/dbraw/zinc/74/02/57/561740257.db2.gz	DMVZKUWZKVVEEN-HTECONTDSA-N	0	0	599.841	2.532	1	0		KFAFRN
C[C@@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000014942850	561740336	/nfs/dbraw/zinc/74/03/36/561740336.db2.gz	SSAWLODCPROYGG-JJEHWUSNSA-N	0	0	613.868	2.921	1	0		KFAFRN
C[C@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000014942852	561740271	/nfs/dbraw/zinc/74/02/71/561740271.db2.gz	SSAWLODCPROYGG-PFDRMGOISA-N	0	0	613.868	2.921	1	0		KFAFRN
C[C@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000014942854	561740326	/nfs/dbraw/zinc/74/03/26/561740326.db2.gz	SSAWLODCPROYGG-VUCAYNMSSA-N	0	0	613.868	2.921	1	0		KFAFRN
C[C@@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000014942856	561740316	/nfs/dbraw/zinc/74/03/16/561740316.db2.gz	SSAWLODCPROYGG-GSFGBMHFSA-N	0	0	613.868	2.921	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1	ZINC000014942873	561740294	/nfs/dbraw/zinc/74/02/94/561740294.db2.gz	UPYUBPUDWRHOBW-GKLJYDMOSA-N	0	0	563.761	2.667	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCS(C)(=O)=O	ZINC000014942875	561740454	/nfs/dbraw/zinc/74/04/54/561740454.db2.gz	XWDWUINGEMTUCN-VMAPGKTHSA-N	0	0	551.750	2.525	1	0		KFAFRN
CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000014943006	561740475	/nfs/dbraw/zinc/74/04/75/561740475.db2.gz	XNLZVXPTFMKQCK-GMQQYTKMSA-N	0	0	583.730	2.713	1	0		KFAFRN
CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000014943007	561740440	/nfs/dbraw/zinc/74/04/40/561740440.db2.gz	CVKKUZMEEKVVIR-YTCPBCGMSA-N	0	0	604.752	2.765	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C	ZINC000014943011	561740458	/nfs/dbraw/zinc/74/04/58/561740458.db2.gz	RLEOZZSYFKNBQU-KKUQBAQOSA-N	0	0	583.730	2.711	1	0		KFAFRN
CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C	ZINC000014943012	561740425	/nfs/dbraw/zinc/74/04/25/561740425.db2.gz	RLEOZZSYFKNBQU-GSDHBNRESA-N	0	0	583.730	2.711	1	0		KFAFRN
CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C	ZINC000014943013	561740457	/nfs/dbraw/zinc/74/04/57/561740457.db2.gz	ZILOOGIOHVCEKS-KCHLEUMXSA-N	0	0	604.752	2.763	1	0		KFAFRN
CC(C)(C)NC(=O)N(Cc1ccncc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000014943022	561740583	/nfs/dbraw/zinc/74/05/83/561740583.db2.gz	YKTNGJFMMFMSNS-HZFUHODCSA-N	0	0	618.735	2.651	1	0		KFAFRN
CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000014943026	561740634	/nfs/dbraw/zinc/74/06/34/561740634.db2.gz	XNLZVXPTFMKQCK-QKDODKLFSA-N	0	0	583.730	2.713	1	0		KFAFRN
C[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000014943043	561740625	/nfs/dbraw/zinc/74/06/25/561740625.db2.gz	CHZGNAXNHGNYFW-ASMLMKMTSA-N	0	0	563.761	2.666	1	0		KFAFRN
C[C@H]1CS(=O)(=O)C[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000014943044	561740613	/nfs/dbraw/zinc/74/06/13/561740613.db2.gz	JGNJWIIHVZPCLO-ITASEOMLSA-N	0	0	577.788	2.913	1	0		KFAFRN
C[C@@H]1CS(=O)(=O)C[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000014943045	561740545	/nfs/dbraw/zinc/74/05/45/561740545.db2.gz	JGNJWIIHVZPCLO-JPNSLTJHSA-N	0	0	577.788	2.913	1	0		KFAFRN
COC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000014943072	561740748	/nfs/dbraw/zinc/74/07/48/561740748.db2.gz	GOUHZFOYJFSEKP-PMJXQHFJSA-N	0	0	607.814	2.682	1	0		KFAFRN
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	ZINC000014943089	561740763	/nfs/dbraw/zinc/74/07/63/561740763.db2.gz	USQYZVYUUXQZHL-CRNZTWHPSA-N	0	0	574.747	2.560	1	0		KFAFRN
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](CO)CCc1ccccc1	ZINC000014943090	561740779	/nfs/dbraw/zinc/74/07/79/561740779.db2.gz	XYMBMWROXCSVHN-MDBSOONOSA-N	0	0	588.774	2.950	1	0		KFAFRN
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@@H](CO)CCc1ccccc1	ZINC000014943091	561740703	/nfs/dbraw/zinc/74/07/03/561740703.db2.gz	XYMBMWROXCSVHN-NFFKMHHLSA-N	0	0	588.774	2.950	1	0		KFAFRN
CCCC[C@@H](CO)NC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C	ZINC000014943094	561740709	/nfs/dbraw/zinc/74/07/09/561740709.db2.gz	JRGKTJWRQVHKOO-DWIHMJRXSA-N	0	0	540.730	2.507	1	0		KFAFRN
CCCC[C@H](CO)NC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C	ZINC000014943095	561740791	/nfs/dbraw/zinc/74/07/91/561740791.db2.gz	JRGKTJWRQVHKOO-KEHCTXMOSA-N	0	0	540.730	2.507	1	0		KFAFRN
CCc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C	ZINC000014943118	561740861	/nfs/dbraw/zinc/74/08/61/561740861.db2.gz	OLOASAZQPBKSCT-LSQMVHIFSA-N	0	0	541.714	2.841	1	0		KFAFRN
Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C	ZINC000014943123	561740879	/nfs/dbraw/zinc/74/08/79/561740879.db2.gz	MMCLAFJWSPFWJN-KLJDGLGGSA-N	0	0	547.677	2.929	1	0		KFAFRN
CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CO	ZINC000014943163	561741034	/nfs/dbraw/zinc/74/10/34/561741034.db2.gz	CNNKZGRBCPFNKW-NTVBGXBNSA-N	0	0	599.769	2.733	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CO	ZINC000014943164	561741029	/nfs/dbraw/zinc/74/10/29/561741029.db2.gz	CNNKZGRBCPFNKW-MRHUJCAJSA-N	0	0	599.769	2.733	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CO	ZINC000014943165	561741051	/nfs/dbraw/zinc/74/10/51/561741051.db2.gz	CNNKZGRBCPFNKW-OFQDDPNGSA-N	0	0	599.769	2.733	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000014943364	561741489	/nfs/dbraw/zinc/74/14/89/561741489.db2.gz	VNLINLIDWTTYAX-JWXZHISWSA-N	0	0	605.732	2.787	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)CCC(=O)NC(C)(C)C	ZINC000014943375	561741618	/nfs/dbraw/zinc/74/16/18/561741618.db2.gz	XIVGMNMHSPSAPS-OARDWFSCSA-N	0	0	568.715	2.837	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ncc[nH]1)C(N)=O	ZINC000014943391	561741639	/nfs/dbraw/zinc/74/16/39/561741639.db2.gz	RZVKOIRYWQKWJR-ROHNOIKCSA-N	0	0	549.672	2.668	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCO	ZINC000014943396	561741605	/nfs/dbraw/zinc/74/16/05/561741605.db2.gz	XSTOMTIANVBPAN-WKAQUBQDSA-N	0	0	555.716	2.982	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CO	ZINC000014943397	561741589	/nfs/dbraw/zinc/74/15/89/561741589.db2.gz	CNNKZGRBCPFNKW-SXGTYXBCSA-N	0	0	599.769	2.733	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CO	ZINC000014943398	561741612	/nfs/dbraw/zinc/74/16/12/561741612.db2.gz	CNNKZGRBCPFNKW-NRYOYCCCSA-N	0	0	599.769	2.733	1	0		KFAFRN
O=C([O-])[C@H]1CCCC[C@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944110	561742104	/nfs/dbraw/zinc/74/21/04/561742104.db2.gz	VQRRRZBHTMCDDO-VLVHOKLOSA-N	0	0	540.569	2.585	1	0		KFAFRN
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944112	561742145	/nfs/dbraw/zinc/74/21/45/561742145.db2.gz	VQRRRZBHTMCDDO-GLHSZLCASA-N	0	0	540.569	2.585	1	0		KFAFRN
COc1cccc(OC)c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944116	561742155	/nfs/dbraw/zinc/74/21/55/561742155.db2.gz	JZNYVCGRZGCBKY-DENIHFKCSA-N	0	0	550.564	2.759	1	0		KFAFRN
COc1cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc(OC)c1C(=O)c1c([O-])cccc1O	ZINC000014944121	561742171	/nfs/dbraw/zinc/74/21/71/561742171.db2.gz	IXQASSOIGZLBSC-DENIHFKCSA-N	0	0	550.564	2.759	1	0		KFAFRN
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	561742179	/nfs/dbraw/zinc/74/21/79/561742179.db2.gz	JKBLKEZCQDCPCX-PXDATVDWSA-N	0	0	536.537	2.505	1	0		KFAFRN
O=C(/C=C/C(=O)Nc1cc2c(cn1)ncnc2Nc1cccc(Br)c1)NCCCN1CCOCC1	ZINC000014944690	561742522	/nfs/dbraw/zinc/74/25/22/561742522.db2.gz	JPHMUYSWHKPNKF-AATRIKPKSA-N	0	0	540.422	2.864	1	0		KFAFRN
CN(c1ccc(NC(=O)NCCN2CCOCC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1	ZINC000014945166	561742811	/nfs/dbraw/zinc/74/28/11/561742811.db2.gz	UHEFETJAUKNRQO-UHFFFAOYSA-N	0	0	539.662	2.986	1	0		KFAFRN
O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccncc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccncc2)N1Cc1ccc(CO)cc1	ZINC000014945774	561743245	/nfs/dbraw/zinc/74/32/45/561743245.db2.gz	NDDPZDNJJKSILL-ZRTHHSRSSA-N	0	0	568.674	2.843	1	0		KFAFRN
COCCOCCOCCOCCNS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c32)cc1	ZINC000014945909	561743369	/nfs/dbraw/zinc/74/33/69/561743369.db2.gz	OEHDHLJQYLJHHS-SILNSSARSA-N	0	0	562.670	2.676	1	0		KFAFRN
CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C	ZINC000014945929	561743353	/nfs/dbraw/zinc/74/33/53/561743353.db2.gz	LYOALEBGXHPTDB-LSQMVHIFSA-N	0	0	577.520	2.967	1	0		KFAFRN
CC(C)CCS(=O)(=O)[C@@H](C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)CCS(C)(=O)=O	ZINC000014945969	561743474	/nfs/dbraw/zinc/74/34/74/561743474.db2.gz	DJJYLFLWPPDFRQ-FFZOFVMBSA-N	0	0	540.542	2.512	1	0		KFAFRN
Nc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)OC2CCCC2)cc1	ZINC000014946339	561743575	/nfs/dbraw/zinc/74/35/75/561743575.db2.gz	KALBMBJPMINLKP-UIPNDDLNSA-N	0	0	575.684	2.594	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(O)cc1)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946340	561743614	/nfs/dbraw/zinc/74/36/14/561743614.db2.gz	ITMAELNBSPGPRZ-UIPNDDLNSA-N	0	0	576.668	2.717	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc2c(c1)OCO2)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946341	561743605	/nfs/dbraw/zinc/74/36/05/561743605.db2.gz	POOYFSKIKCCODJ-JOQJHHFZSA-N	0	0	604.678	2.740	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946342	561743620	/nfs/dbraw/zinc/74/36/20/561743620.db2.gz	JUQPIABICJKAQY-KTJDEMTHSA-N	0	0	618.705	2.783	1	0		KFAFRN
Nc1cccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)OC2CCCCC2)c1	ZINC000014946344	561743568	/nfs/dbraw/zinc/74/35/68/561743568.db2.gz	PGARSBKYUGXTLH-AJIIGFCHSA-N	0	0	589.711	2.984	1	0		KFAFRN
Nc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)OC2CCCCC2)cc1	ZINC000014946345	561743558	/nfs/dbraw/zinc/74/35/58/561743558.db2.gz	ROVMHUDIATYNMU-AJIIGFCHSA-N	0	0	589.711	2.984	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)S(=O)(=O)c1ccc(N)cc1	ZINC000014946402	561743683	/nfs/dbraw/zinc/74/36/83/561743683.db2.gz	POZMOLJVHGBVQU-FICKONGGSA-N	0	0	595.784	2.826	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)cc1	ZINC000014946403	561743692	/nfs/dbraw/zinc/74/36/92/561743692.db2.gz	ZQCWCMLUKDMZGT-ZKMPZPQNSA-N	0	0	520.648	2.829	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946420	561743834	/nfs/dbraw/zinc/74/38/34/561743834.db2.gz	SFWDZUDCHHDDNN-BSFSEUAMSA-N	0	0	519.598	2.556	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946421	561743880	/nfs/dbraw/zinc/74/38/80/561743880.db2.gz	SFWDZUDCHHDDNN-MBCHCOBRSA-N	0	0	519.598	2.556	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946422	561743808	/nfs/dbraw/zinc/74/38/08/561743808.db2.gz	NJQZGKXPQSYAMD-BSFSEUAMSA-N	0	0	521.614	2.780	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946423	561743816	/nfs/dbraw/zinc/74/38/16/561743816.db2.gz	NJQZGKXPQSYAMD-MBCHCOBRSA-N	0	0	521.614	2.780	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CCC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946426	561743797	/nfs/dbraw/zinc/74/37/97/561743797.db2.gz	QKSUKTASTXUREP-RKXIUHAJSA-N	0	0	533.625	2.946	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CCC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000014946427	561743870	/nfs/dbraw/zinc/74/38/70/561743870.db2.gz	QKSUKTASTXUREP-BQHYLKNRSA-N	0	0	533.625	2.946	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NS(C)(=O)=O	ZINC000014946645	561743934	/nfs/dbraw/zinc/74/39/34/561743934.db2.gz	QIYCAHAECWJXLG-ZGIBFIJWSA-N	0	0	623.772	2.897	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NCc1ccccc1	ZINC000014946706	561744142	/nfs/dbraw/zinc/74/41/42/561744142.db2.gz	DXBIMOUGPNBXPJ-OBDYRVMHSA-N	0	0	627.783	2.738	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NCc1ccccc1	ZINC000014946707	561744157	/nfs/dbraw/zinc/74/41/57/561744157.db2.gz	DXBIMOUGPNBXPJ-KLJDGLGGSA-N	0	0	627.783	2.738	1	0		KFAFRN
CC(=O)OCCN1C(=O)c2c(c3cc(S(=O)(=O)N4CCOCC4)ccc3nc2Nc2ccc(F)c(Cl)c2)C1=O	ZINC000014947187	561744530	/nfs/dbraw/zinc/74/45/30/561744530.db2.gz	BPUFWEZRHBODTM-UHFFFAOYSA-N	0	0	576.990	2.951	1	0		KFAFRN
CC(=O)OCCN1C(=O)c2c(c(-c3ccc(F)c(Cl)c3)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1=O	ZINC000014947192	561744546	/nfs/dbraw/zinc/74/45/46/561744546.db2.gz	MWKDEUQMSMMSHK-UHFFFAOYSA-N	0	0	561.975	2.874	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3c(c2c1)C(=O)N(c1c(C)nn(C)c1C)C3=O	ZINC000014947215	561744532	/nfs/dbraw/zinc/74/45/32/561744532.db2.gz	GKYSJQPOFCDKBA-QFIPXVFZSA-N	0	0	561.620	2.757	1	0		KFAFRN
CCCCCC[N@H+](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000014947378	561744683	/nfs/dbraw/zinc/74/46/83/561744683.db2.gz	XIMITGPWYYFUQF-PZJWPPBQSA-N	0	0	575.711	2.836	1	0	in-vitro	KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	ZINC000014947855	561744914	/nfs/dbraw/zinc/74/49/14/561744914.db2.gz	MQOSRSSZYUXZNH-XFFCECHOSA-N	0	0	606.720	2.795	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	ZINC000014947858	561744823	/nfs/dbraw/zinc/74/48/23/561744823.db2.gz	WDMSWWUPIMEGNZ-SGFFKCJDSA-N	0	0	572.703	2.599	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccccc1	ZINC000014947885	561744868	/nfs/dbraw/zinc/74/48/68/561744868.db2.gz	DHTSLDPANDNYNQ-SJNZOZTPSA-N	0	0	580.682	2.686	1	0		KFAFRN
C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1N=NC(=S)S1	ZINC000014948640	561744830	/nfs/dbraw/zinc/74/48/30/561744830.db2.gz	BXPQIAVWFZXLFI-LRDDRELGSA-N	0	0	526.065	2.513	1	0		KFAFRN
C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1N=NC(=S)S1	ZINC000014948653	561745007	/nfs/dbraw/zinc/74/50/07/561745007.db2.gz	NQPVYHWCSWOQOG-LRDDRELGSA-N	0	0	570.516	2.622	1	0		KFAFRN
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NC2N=NC(=S)S2)c(C)c1	ZINC000014948762	561745015	/nfs/dbraw/zinc/74/50/15/561745015.db2.gz	OLEDPIQVUZOZBZ-WMZOPIPTSA-N	0	0	533.701	2.785	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O	ZINC000014949565	561745091	/nfs/dbraw/zinc/74/50/91/561745091.db2.gz	BKFUQKRRUFYLMR-SSTJLMRISA-N	0	0	534.698	2.528	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O	ZINC000014949568	561745093	/nfs/dbraw/zinc/74/50/93/561745093.db2.gz	BKFUQKRRUFYLMR-SXYSDOLCSA-N	0	0	534.698	2.528	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1	ZINC000014949578	561745100	/nfs/dbraw/zinc/74/51/00/561745100.db2.gz	LFKITAOQQDIAJF-YFNVTMOMSA-N	0	0	546.709	2.672	1	0	in-vitro	KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1	ZINC000014949581	561745065	/nfs/dbraw/zinc/74/50/65/561745065.db2.gz	LFKITAOQQDIAJF-WIYBCGNWSA-N	0	0	546.709	2.672	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1	ZINC000014949650	561745071	/nfs/dbraw/zinc/74/50/71/561745071.db2.gz	MXCUGCXBYZLOQM-KEOOTSPTSA-N	0	0	580.726	2.507	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1	ZINC000014949653	561745076	/nfs/dbraw/zinc/74/50/76/561745076.db2.gz	MXCUGCXBYZLOQM-YCXOGWGTSA-N	0	0	580.726	2.507	1	0		KFAFRN
COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccncc2)nc1	ZINC000014949913	561745287	/nfs/dbraw/zinc/74/52/87/561745287.db2.gz	SQNAFOVAPUKUKT-UHFFFAOYSA-N	0	0	516.562	2.920	1	0		KFAFRN
COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(-c3ccccc3S(N)(=O)=O)cc1)c2=O	ZINC000014950479	561745539	/nfs/dbraw/zinc/74/55/39/561745539.db2.gz	UQOVWSRVOBGIEJ-UHFFFAOYSA-N	0	0	531.550	2.681	1	0		KFAFRN
COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(-c3ccccc3S(N)(=O)=O)cc1F)c2=O	ZINC000014950485	561745559	/nfs/dbraw/zinc/74/55/59/561745559.db2.gz	GVTXDWZDPBSUCW-UHFFFAOYSA-N	0	0	549.540	2.820	1	0		KFAFRN
COc1cccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@H]2CCCO2)c1	ZINC000014951431	561746161	/nfs/dbraw/zinc/74/61/61/561746161.db2.gz	BKVPEHBIRUOJPV-SFGWMHHMSA-N	0	0	623.728	2.979	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)COC[C@@H]2Cc2ccccc2)CC2CCCC2)cc1	ZINC000014953627	561746730	/nfs/dbraw/zinc/74/67/30/561746730.db2.gz	IOCNYGPHBFUDJN-BJKOFHAPSA-N	0	0	516.660	2.707	1	0		KFAFRN
COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(F)(F)F)cc1)NC(C)=O	ZINC000014954180	561746887	/nfs/dbraw/zinc/74/68/87/561746887.db2.gz	WFOPILBHPHNXJW-SFHVURJKSA-N	0	0	539.507	2.702	1	0		KFAFRN
CC(C)[C@H](NC(=O)CC[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1	ZINC000014959570	561748182	/nfs/dbraw/zinc/74/81/82/561748182.db2.gz	KIWFHZCVNIKJRF-FVCDFAAQSA-N	0	0	631.815	2.822	1	0		KFAFRN
CCCCNC(=O)[C@@H]1CCC[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000014960477	561748358	/nfs/dbraw/zinc/74/83/58/561748358.db2.gz	JBJCTWNYERPXPJ-TXEXXNSLSA-N	0	0	570.841	3.000	1	0		KFAFRN
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1	ZINC000014960494	561748365	/nfs/dbraw/zinc/74/83/65/561748365.db2.gz	QIZVESZBDMJHKA-FXTUREPZSA-N	0	0	590.853	2.823	1	0		KFAFRN
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2nnn[n-]2)C(C)C)C(C)C)ccc1OC	ZINC000014967742	561750268	/nfs/dbraw/zinc/75/02/68/561750268.db2.gz	ODRDGPIRXCMQSU-ZJZGAYNASA-N	0	0	548.729	2.538	1	0		KFAFRN
CS(=O)(=O)c1ccccc1N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1=O	ZINC000014969544	561750681	/nfs/dbraw/zinc/75/06/81/561750681.db2.gz	PCXZXBSEQRZTCV-CYBMUJFWSA-N	0	0	562.530	2.943	1	0		KFAFRN
CS(=O)(=O)c1ccccc1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1=O	ZINC000014969548	561750739	/nfs/dbraw/zinc/75/07/39/561750739.db2.gz	PCXZXBSEQRZTCV-ZDUSSCGKSA-N	0	0	562.530	2.943	1	0		KFAFRN
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4CN(C)C(C)=O)CC2)CC3)cc1	ZINC000014969596	561750793	/nfs/dbraw/zinc/75/07/93/561750793.db2.gz	UVYVJQFOXZDFLB-UHFFFAOYSA-N	0	0	530.629	2.625	1	0		KFAFRN
C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000014972012	561751402	/nfs/dbraw/zinc/75/14/02/561751402.db2.gz	LIOLGHUQUQDMDF-AVRDEDQJSA-N	0	0	572.606	2.527	1	0	in-vitro	KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C	ZINC000014972208	561751416	/nfs/dbraw/zinc/75/14/16/561751416.db2.gz	LMZYZVWKTJFLSL-KHOMTPLRSA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@H]1C	ZINC000014972213	561751430	/nfs/dbraw/zinc/75/14/30/561751430.db2.gz	LMZYZVWKTJFLSL-AOUJKTHWSA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C	ZINC000014972219	561751425	/nfs/dbraw/zinc/75/14/25/561751425.db2.gz	LMZYZVWKTJFLSL-JVFUWBCBSA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@H]1C	ZINC000014972225	561751423	/nfs/dbraw/zinc/75/14/23/561751423.db2.gz	LMZYZVWKTJFLSL-KNOQFWTLSA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000014972229	561751463	/nfs/dbraw/zinc/75/14/63/561751463.db2.gz	MCKCVIDASJTQSU-GIVPXCGWSA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000014972238	561751501	/nfs/dbraw/zinc/75/15/01/561751501.db2.gz	MCKCVIDASJTQSU-NRSPTQNISA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000014972242	561751474	/nfs/dbraw/zinc/75/14/74/561751474.db2.gz	MCKCVIDASJTQSU-TYPHKJRUSA-N	0	0	540.642	2.757	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O	ZINC000014972246	561751476	/nfs/dbraw/zinc/75/14/76/561751476.db2.gz	BWYBBMQLUKXECQ-JBACZVJFSA-N	0	0	540.642	2.899	1	0		KFAFRN
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1	ZINC000014974813	561752142	/nfs/dbraw/zinc/75/21/42/561752142.db2.gz	TYBUCKMEAMKGDB-UHFFFAOYSA-N	0	0	504.996	2.788	1	0		KFAFRN
CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O	ZINC000014977608	561752320	/nfs/dbraw/zinc/75/23/20/561752320.db2.gz	OZYYOJGDGOAPBJ-QGZVFWFLSA-N	0	0	510.591	2.903	1	0		KFAFRN
CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O	ZINC000014977613	561752373	/nfs/dbraw/zinc/75/23/73/561752373.db2.gz	LWUQARMOMBUJSG-UHFFFAOYSA-N	0	0	529.562	2.780	1	0		KFAFRN
CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O	ZINC000014977628	561752484	/nfs/dbraw/zinc/75/24/84/561752484.db2.gz	GOSZMIDOMHVHDD-AWEZNQCLSA-N	0	0	511.522	2.776	1	0		KFAFRN
CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S(=O)(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O	ZINC000014977683	561752485	/nfs/dbraw/zinc/75/24/85/561752485.db2.gz	QFJAWVIERUMTED-OAHLLOKOSA-N	0	0	545.605	2.783	1	0		KFAFRN
COc1ccc([O-])c(C(=O)c2ccc(C(=O)O[C@@H]3CCC[NH2+]C[C@@H]3NC(=O)c3ccncc3)cc2)c1F	ZINC000016052895	561754004	/nfs/dbraw/zinc/75/40/04/561754004.db2.gz	VYPRIFLEMOQRJK-PZJWPPBQSA-N	0	0	507.518	2.873	1	0		KFAFRN
CC(=O)O[C@@H]1CO[C@H](n2c3ccccc3c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000017210283	561754271	/nfs/dbraw/zinc/75/42/71/561754271.db2.gz	QMXBXQXGFBBBFL-SVPADUAOSA-N	0	0	512.540	2.846	1	0		KFAFRN
Nc1nc2c(ncn2[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1	ZINC000017654019	553599003	/nfs/dbraw/zinc/59/90/03/553599003.db2.gz	WZRBAVDJTYIQBI-DQHZSEARSA-N	0	0	595.568	2.907	1	0		KFAFRN
Nc1nc2c(ncn2[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1	ZINC000017654022	553599023	/nfs/dbraw/zinc/59/90/23/553599023.db2.gz	WZRBAVDJTYIQBI-LLUKFRMWSA-N	0	0	595.568	2.907	1	0		KFAFRN
CCCCS(=O)(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(Cc4ccccc4)c4ccccc4[C@]23C[C@H]1C(=O)OC	ZINC000017654373	561757411	/nfs/dbraw/zinc/75/74/11/561757411.db2.gz	FNURQJINYGDFCP-ZSHJDDHQSA-N	0	0	595.674	2.703	1	0		KFAFRN
CN(C(=O)[C@H](Cc1ccc([C@@H](N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1	ZINC000019172663	561758286	/nfs/dbraw/zinc/75/82/86/561758286.db2.gz	NLMUXOPHOVYUHL-UIOOFZCWSA-N	0	0	509.676	2.941	1	0		KFAFRN
CN(C(=O)[C@H](Cc1ccc([C@H](N)NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1	ZINC000019172666	561758396	/nfs/dbraw/zinc/75/83/96/561758396.db2.gz	NLMUXOPHOVYUHL-IZZNHLLZSA-N	0	0	509.676	2.941	1	0		KFAFRN
CN(C(=O)[C@H](Cc1ccc([C@@H](N)NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1	ZINC000019172682	561758281	/nfs/dbraw/zinc/75/82/81/561758281.db2.gz	AXMQONLDXIGLCG-UIOOFZCWSA-N	0	0	513.708	2.667	1	0		KFAFRN
CN(C(=O)[C@H](Cc1ccc([C@H](N)NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1	ZINC000019172685	561758267	/nfs/dbraw/zinc/75/82/67/561758267.db2.gz	AXMQONLDXIGLCG-IZZNHLLZSA-N	0	0	513.708	2.667	1	0		KFAFRN
Nc1cc2cccc3c2c(c1)C(=O)N(CCN1CCN(CCN2C(=O)c4cccc5cc(N)cc(c54)C2=O)CC1)C3=O	ZINC000022863260	561759603	/nfs/dbraw/zinc/75/96/03/561759603.db2.gz	VGLPNKLNRWHDQR-UHFFFAOYSA-N	0	0	562.630	2.667	1	0		KFAFRN
O=C(CN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc21	ZINC000022940185	561760818	/nfs/dbraw/zinc/76/08/18/561760818.db2.gz	WXPFXWDGDBXSEQ-UHFFFAOYSA-N	0	0	524.581	2.616	1	0		KFAFRN
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CC[NH+](CC(=O)[O-])CC1)CCCC3)C(=O)N2	ZINC000023310413	561761563	/nfs/dbraw/zinc/76/15/63/561761563.db2.gz	USKFMBYPIMKTAD-QJOMJCCJSA-N	0	0	540.686	2.815	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000024636424	561762263	/nfs/dbraw/zinc/76/22/63/561762263.db2.gz	WWTORRPIIMGMSP-LIRVCHIBSA-N	0	0	687.838	2.695	1	0		KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000024691913	561762333	/nfs/dbraw/zinc/76/23/33/561762333.db2.gz	YVNITSOLRPDTNX-JQFCFGFHSA-N	0	0	724.704	2.984	1	0	in-vitro	KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000024691918	561762258	/nfs/dbraw/zinc/76/22/58/561762258.db2.gz	FSNSRNCFARXZOP-JQFCFGFHSA-N	0	0	688.724	2.706	1	0	in-vitro	KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000024691948	561762308	/nfs/dbraw/zinc/76/23/08/561762308.db2.gz	FJIRQAXCBOCEQN-QHNIKEGDSA-N	0	0	724.704	2.984	1	0	in-vitro	KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000024692160	561762317	/nfs/dbraw/zinc/76/23/17/561762317.db2.gz	MHRYDJWKKUNWJY-JQFCFGFHSA-N	0	0	724.704	2.984	1	0	in-vitro	KFAFRN
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@@H]2NC(C)(C)N(C)C2=O)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1	ZINC000024819433	561762488	/nfs/dbraw/zinc/76/24/88/561762488.db2.gz	YNXGIROKYOHHJW-UFAZYNLISA-N	0	0	653.777	2.581	1	0	in-vitro	KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)Cc2ccc(cc2)OCCCNC1=O	ZINC000024967212	561762567	/nfs/dbraw/zinc/76/25/67/561762567.db2.gz	LMXVYRBJYYRIPR-JNGVDVETSA-N	0	0	677.843	2.575	1	0	in-vitro	KFAFRN
CC(C)C[C@H](NC(=O)c1ccc(N2CCC(C[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)[O-]	ZINC000025419160	561762808	/nfs/dbraw/zinc/76/28/08/561762808.db2.gz	GNYDCKQBXGHOOR-AHWVRZQESA-N	0	0	576.716	2.532	1	0		KFAFRN
COC(=O)/C=C/C(=O)Nc1ccc(CCCCC(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)cc1	ZINC000025963798	561763027	/nfs/dbraw/zinc/76/30/27/561763027.db2.gz	RZYZZMZIPSVZRD-OUKQBFOZSA-N	0	0	576.654	2.959	1	0		KFAFRN
O=C1NC(=O)C(c2cn(CCOCCOCCOCCO)c3ccccc23)=C1c1c[nH]c2ccccc21	ZINC000025974178	561763366	/nfs/dbraw/zinc/76/33/66/561763366.db2.gz	ZJUAEYDIRIGIGK-UHFFFAOYSA-N	0	0	503.555	2.732	1	0		KFAFRN
Nc1cc(C2=NO[C@@](CNS(=O)(=O)c3cccnc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl	ZINC000025977172	561763706	/nfs/dbraw/zinc/76/37/06/561763706.db2.gz	LCTMKAMVDAFBTQ-MHZLTWQESA-N	0	0	642.119	2.507	1	0		KFAFRN
Nc1cc(C2=NO[C@](CNS(=O)(=O)c3cccnc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl	ZINC000025977181	561763658	/nfs/dbraw/zinc/76/36/58/561763658.db2.gz	LCTMKAMVDAFBTQ-HHHXNRCGSA-N	0	0	642.119	2.507	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000025988411	561764505	/nfs/dbraw/zinc/76/45/05/561764505.db2.gz	HOJSZRFPBXUEAY-OBXVVNIGSA-N	0	0	732.920	2.579	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(F)cc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000025993990	561765006	/nfs/dbraw/zinc/76/50/06/561765006.db2.gz	OLDYSSBZSJDXSY-UHFFFAOYSA-N	0	0	581.674	2.994	1	0		KFAFRN
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccc([C@@H](N)NN)cc1)C(=O)N(C)C1CCCC1	ZINC000025998320	561765209	/nfs/dbraw/zinc/76/52/09/561765209.db2.gz	LZIUPSRPZFFNPG-IGKIAQTJSA-N	0	0	538.718	2.617	1	0		KFAFRN
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccc([C@H](N)NN)cc1)C(=O)N(C)C1CCCC1	ZINC000025998327	561765206	/nfs/dbraw/zinc/76/52/06/561765206.db2.gz	LZIUPSRPZFFNPG-RPLLCQBOSA-N	0	0	538.718	2.617	1	0		KFAFRN
COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1NS(C)(=O)=O)CCCN2	ZINC000025999970	561765268	/nfs/dbraw/zinc/76/52/68/561765268.db2.gz	BPFSDEAWEWNYMO-NRFANRHFSA-N	0	0	533.651	2.690	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4ccc(OC)cc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000026000139	561765270	/nfs/dbraw/zinc/76/52/70/561765270.db2.gz	IGTGFTAHCWYXQW-UHFFFAOYSA-N	0	0	593.710	2.864	1	0		KFAFRN
CC(=O)N[C@@H](CS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C	ZINC000026014573	561766165	/nfs/dbraw/zinc/76/61/65/561766165.db2.gz	KDCKXABKLLTWRC-YTCPBCGMSA-N	0	0	593.746	2.824	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@@](=O)c1ccccc1)NS(C)(=O)=O	ZINC000026015518	561766203	/nfs/dbraw/zinc/76/62/03/561766203.db2.gz	VMWKIDHYEPOBNA-BJNKPIQASA-N	0	0	613.802	2.571	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@](=O)c1ccccc1)NS(C)(=O)=O	ZINC000026015524	561766241	/nfs/dbraw/zinc/76/62/41/561766241.db2.gz	VMWKIDHYEPOBNA-RICIVNOFSA-N	0	0	613.802	2.571	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(=O)(=O)c1ccc2ccccc2n1)NS(C)(=O)=O	ZINC000026016398	561766349	/nfs/dbraw/zinc/76/63/49/561766349.db2.gz	SPOXOUDHHVDZNM-OIFRRMEBSA-N	0	0	680.849	2.786	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@@](=O)c1ccc(F)cc1)NS(C)(=O)=O	ZINC000026017392	561766432	/nfs/dbraw/zinc/76/64/32/561766432.db2.gz	FMYRCIGLIZSSOW-AXJAEZIJSA-N	0	0	631.792	2.711	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@](=O)c1ccc(F)cc1)NS(C)(=O)=O	ZINC000026017399	561766455	/nfs/dbraw/zinc/76/64/55/561766455.db2.gz	FMYRCIGLIZSSOW-IAWPXOGVSA-N	0	0	631.792	2.711	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccccn1)NS(C)(=O)=O	ZINC000026018206	561766530	/nfs/dbraw/zinc/76/65/30/561766530.db2.gz	PYGQGWQNWPDXOO-KKUQBAQOSA-N	0	0	598.791	2.951	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(=O)(=O)c1ccc(Cl)cc1)NS(C)(=O)=O	ZINC000026019322	561766611	/nfs/dbraw/zinc/76/66/11/561766611.db2.gz	DXCSFZCMVRDPHH-HZFUHODCSA-N	0	0	664.246	2.891	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1	ZINC000026149650	561767546	/nfs/dbraw/zinc/76/75/46/561767546.db2.gz	YWPBUQKRMLRKEH-HFASVGIHSA-N	0	0	649.745	2.750	1	0		KFAFRN
COP(=O)(OC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026153759	561767905	/nfs/dbraw/zinc/76/79/05/561767905.db2.gz	RQAGKXXVQNGWPF-WKUVLXMOSA-N	0	0	676.752	2.740	1	0		KFAFRN
COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026153766	561767959	/nfs/dbraw/zinc/76/79/59/561767959.db2.gz	RQAGKXXVQNGWPF-KFZSMJGVSA-N	0	0	676.752	2.740	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000026153831	561767938	/nfs/dbraw/zinc/76/79/38/561767938.db2.gz	BINXAIIXOUQUKC-SHZNSVIDSA-N	0	0	562.685	2.802	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000026153839	561767968	/nfs/dbraw/zinc/76/79/68/561767968.db2.gz	BINXAIIXOUQUKC-PWTLFHGOSA-N	0	0	562.685	2.802	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026157256	561768268	/nfs/dbraw/zinc/76/82/68/561768268.db2.gz	VHMOHBHADBLFMA-GXMUZMQRSA-N	0	0	594.709	2.925	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026157266	561768312	/nfs/dbraw/zinc/76/83/12/561768312.db2.gz	VHMOHBHADBLFMA-MQYZGGMBSA-N	0	0	594.709	2.925	1	0		KFAFRN
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)c2c1	ZINC000026158222	561768341	/nfs/dbraw/zinc/76/83/41/561768341.db2.gz	KBYZLJRFLMBQNT-XMXZMMKCSA-N	0	0	505.911	2.879	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1	ZINC000026163259	561768772	/nfs/dbraw/zinc/76/87/72/561768772.db2.gz	DVRJBCMEQVQAKX-REUBFRLUSA-N	0	0	647.729	2.600	1	0		KFAFRN
CC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C	ZINC000026165022	561768923	/nfs/dbraw/zinc/76/89/23/561768923.db2.gz	NILHIHZZUYRAJS-VJGNERBWSA-N	0	0	649.745	2.545	1	0		KFAFRN
COc1cc2c(cc1Br)[C@]1(CC(=O)NC1=O)C(=O)N(Cc1ccc(Br)cc1F)C2=O	ZINC000026165290	561769099	/nfs/dbraw/zinc/76/90/99/561769099.db2.gz	SZJJYLIWPWTFLA-FQEVSTJZSA-N	0	0	540.139	2.826	1	0		KFAFRN
COc1cc2c(cc1Br)[C@@]1(CC(=O)NC1=O)C(=O)N(Cc1ccc(Br)cc1F)C2=O	ZINC000026165294	561769089	/nfs/dbraw/zinc/76/90/89/561769089.db2.gz	SZJJYLIWPWTFLA-HXUWFJFHSA-N	0	0	540.139	2.826	1	0		KFAFRN
Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4ccccn4)cn3C)cc2)cc1C(=O)NCCN1CCOCC1	ZINC000026169205	561769585	/nfs/dbraw/zinc/76/95/85/561769585.db2.gz	CJIVBSXKOYYOHV-UHFFFAOYSA-N	0	0	598.664	2.578	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000026169304	561769703	/nfs/dbraw/zinc/76/97/03/561769703.db2.gz	VNLINLIDWTTYAX-SIMGMAISSA-N	0	0	605.732	2.787	1	0		KFAFRN
CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(=O)[O-])cc1	ZINC000026169950	561769805	/nfs/dbraw/zinc/76/98/05/561769805.db2.gz	VSOQUGPDPQENAD-FQEVSTJZSA-N	0	0	544.033	2.503	1	0		KFAFRN
CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(=O)[O-])cc1	ZINC000026169954	561769756	/nfs/dbraw/zinc/76/97/56/561769756.db2.gz	VSOQUGPDPQENAD-HXUWFJFHSA-N	0	0	544.033	2.503	1	0		KFAFRN
Cn1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000026172053	561770126	/nfs/dbraw/zinc/77/01/26/561770126.db2.gz	XCHBUNKLGYBTMD-UHFFFAOYSA-N	0	0	642.142	2.631	1	0		KFAFRN
CSCC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	ZINC000026173055	561770384	/nfs/dbraw/zinc/77/03/84/561770384.db2.gz	XEKVJPXLYZOATO-GVAUOCQISA-N	0	0	614.765	2.854	1	0		KFAFRN
COP(=O)(OC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026173074	561770414	/nfs/dbraw/zinc/77/04/14/561770414.db2.gz	IYYCAMPSYKFZDJ-HQQJGFCBSA-N	0	0	642.756	2.747	1	0		KFAFRN
COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026173075	561770382	/nfs/dbraw/zinc/77/03/82/561770382.db2.gz	IYYCAMPSYKFZDJ-MGDCHWCSSA-N	0	0	642.756	2.747	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)nn2C)cc1C(=O)NCCN1CCOCC1	ZINC000026174953	561770700	/nfs/dbraw/zinc/77/07/00/561770700.db2.gz	BXPNNOQWTKNDJM-UHFFFAOYSA-N	0	0	642.142	2.631	1	0		KFAFRN
CC(=O)Oc1ccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)cc1	ZINC000026175577	561770718	/nfs/dbraw/zinc/77/07/18/561770718.db2.gz	JKYCSULEMBGUBG-JVUUKAHWSA-N	0	0	568.590	2.566	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3ccc(OC)c4ccccc34)O[C@H](CO)[C@H]2O)c1	ZINC000026176332	561770931	/nfs/dbraw/zinc/77/09/31/561770931.db2.gz	GVQPSKMFKFQAJB-JVUUKAHWSA-N	0	0	570.606	2.658	1	0		KFAFRN
COc1ccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)cc1	ZINC000026176546	561770890	/nfs/dbraw/zinc/77/08/90/561770890.db2.gz	GEDNGTPARWDMQV-BYHVZLFPSA-N	0	0	540.580	2.649	1	0		KFAFRN
Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCN3CCOCC3)n(C)n2)n(C)c1	ZINC000026176750	561770953	/nfs/dbraw/zinc/77/09/53/561770953.db2.gz	GECNOZHZSFCKSQ-UHFFFAOYSA-N	0	0	642.142	2.631	1	0		KFAFRN
CCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000026177303	561771072	/nfs/dbraw/zinc/77/10/72/561771072.db2.gz	YDQBBEVGBOZATK-FVGSUHECSA-N	0	0	507.480	2.824	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(NS(C)(=O)=O)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12	ZINC000026177620	561771041	/nfs/dbraw/zinc/77/10/41/561771041.db2.gz	ORVVGMWWQBVVHF-CZMKHNCBSA-N	0	0	631.755	2.511	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(NS(C)(=O)=O)cc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12	ZINC000026177626	561771112	/nfs/dbraw/zinc/77/11/12/561771112.db2.gz	ORVVGMWWQBVVHF-WWKQIGMOSA-N	0	0	631.755	2.511	1	0		KFAFRN
CCCOc1ccc(S(=O)(=O)N2CC[NH+](CC[P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1	ZINC000026177916	561771156	/nfs/dbraw/zinc/77/11/56/561771156.db2.gz	GFRPMVCPCQENNX-UHFFFAOYSA-N	0	0	610.674	2.593	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@@H]2Cn2cnc3c2ncnc3NC(c2ccccc2)c2ccccc2)c1	ZINC000026178398	561771186	/nfs/dbraw/zinc/77/11/86/561771186.db2.gz	ZAIHEDOXKISERL-IVOMZWEHSA-N	0	0	610.671	2.964	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@H]2Cn2cnc3c2ncnc3NC(c2ccccc2)c2ccccc2)c1	ZINC000026178405	561771163	/nfs/dbraw/zinc/77/11/63/561771163.db2.gz	ZAIHEDOXKISERL-UAUQNLOISA-N	0	0	610.671	2.964	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@@H]2Cn2cnc3c2ncnc3NC(c2ccccc2)c2ccccc2)c1	ZINC000026178412	561771173	/nfs/dbraw/zinc/77/11/73/561771173.db2.gz	ZAIHEDOXKISERL-RCOPJXKKSA-N	0	0	610.671	2.964	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2Cn2cnc3c2ncnc3NC(c2ccccc2)c2ccccc2)c1	ZINC000026178419	561771206	/nfs/dbraw/zinc/77/12/06/561771206.db2.gz	ZAIHEDOXKISERL-LLYIKPLPSA-N	0	0	610.671	2.964	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)nn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000026178507	561771145	/nfs/dbraw/zinc/77/11/45/561771145.db2.gz	BFWUIJSCRILVPD-UHFFFAOYSA-N	0	0	642.142	2.631	1	0		KFAFRN
Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2cn(C)c(C(=O)NCCN3CCOCC3)n2)n(C)c1	ZINC000026178918	561771340	/nfs/dbraw/zinc/77/13/40/561771340.db2.gz	MCUJNYWHFVFUGB-UHFFFAOYSA-N	0	0	642.142	2.631	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)OC	ZINC000026179601	561771388	/nfs/dbraw/zinc/77/13/88/561771388.db2.gz	BZPZKKSYPNZRTG-IWMXCVPLSA-N	0	0	705.841	2.620	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)c1OC(C)=O	ZINC000026179858	561771476	/nfs/dbraw/zinc/77/14/76/561771476.db2.gz	NWKZCTDUMDRPLX-JCAGLCPKSA-N	0	0	598.616	2.575	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000026180131	561771515	/nfs/dbraw/zinc/77/15/15/561771515.db2.gz	BWFCCDKJQPXGEV-UHFFFAOYSA-N	0	0	642.142	2.631	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1n[nH]c2ccccc21	ZINC000026180346	561771628	/nfs/dbraw/zinc/77/16/28/561771628.db2.gz	GESFNPXBWQVSPL-RCXJIHSJSA-N	0	0	525.609	2.524	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1n[nH]c2ccccc21	ZINC000026180353	561771621	/nfs/dbraw/zinc/77/16/21/561771621.db2.gz	GESFNPXBWQVSPL-DNRSQYFGSA-N	0	0	525.609	2.524	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)on3)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000026180495	561771582	/nfs/dbraw/zinc/77/15/82/561771582.db2.gz	PDEQHLOINZQVST-UHFFFAOYSA-N	0	0	639.673	2.719	1	0		KFAFRN
CN(C)c1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026180986	561771767	/nfs/dbraw/zinc/77/17/67/561771767.db2.gz	REEROQVXIRGGSO-JVUUKAHWSA-N	0	0	553.623	2.707	1	0		KFAFRN
C[C@@H]1C[C@H]2O[C@]1(O)C(=O)C[C@@H]1C[C@H](O)[C@@H](C)[C@H](CC(=O)O[C@H](/C=C/I)C2(C)C)O1	ZINC000026181390	561771799	/nfs/dbraw/zinc/77/17/99/561771799.db2.gz	DFCFBFKGDMVRQE-TXCGNEFDSA-N	0	0	522.376	2.504	1	0		KFAFRN
COc1ccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)cc1OC(C)=O	ZINC000026182675	561772035	/nfs/dbraw/zinc/77/20/35/561772035.db2.gz	QVZKJJHQQKNKBS-VLVHCFGSSA-N	0	0	598.616	2.575	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@@H]2Cn2cnc3c2ncnc3Nc2ccc3ccccc3c2)c1	ZINC000026182715	561772029	/nfs/dbraw/zinc/77/20/29/561772029.db2.gz	FYIXVULHYZSWQO-RAKSCHNQSA-N	0	0	570.606	2.660	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@H]2Cn2cnc3c2ncnc3Nc2ccc3ccccc3c2)c1	ZINC000026182723	561772025	/nfs/dbraw/zinc/77/20/25/561772025.db2.gz	FYIXVULHYZSWQO-CLPFNFTISA-N	0	0	570.606	2.660	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@@H]2Cn2cnc3c2ncnc3Nc2ccc3ccccc3c2)c1	ZINC000026182728	561772031	/nfs/dbraw/zinc/77/20/31/561772031.db2.gz	FYIXVULHYZSWQO-BGBNXGLDSA-N	0	0	570.606	2.660	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2Cn2cnc3c2ncnc3Nc2ccc3ccccc3c2)c1	ZINC000026182733	561772009	/nfs/dbraw/zinc/77/20/09/561772009.db2.gz	FYIXVULHYZSWQO-FCRYVSRXSA-N	0	0	570.606	2.660	1	0		KFAFRN
COC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC	ZINC000026183029	561772073	/nfs/dbraw/zinc/77/20/73/561772073.db2.gz	QZVHONMQJVPMEM-FGZHOGPDSA-N	0	0	638.537	2.705	1	0		KFAFRN
COC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC	ZINC000026183033	561772045	/nfs/dbraw/zinc/77/20/45/561772045.db2.gz	QZVHONMQJVPMEM-YADHBBJMSA-N	0	0	638.537	2.705	1	0		KFAFRN
COC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC	ZINC000026183038	561772065	/nfs/dbraw/zinc/77/20/65/561772065.db2.gz	QZVHONMQJVPMEM-FCHUYYIVSA-N	0	0	638.537	2.705	1	0		KFAFRN
COC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC	ZINC000026183043	561772050	/nfs/dbraw/zinc/77/20/50/561772050.db2.gz	QZVHONMQJVPMEM-VXKWHMMOSA-N	0	0	638.537	2.705	1	0		KFAFRN
COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCN3CCN(c4ccccc4Cl)CC3)n2)CC1	ZINC000026183900	561772288	/nfs/dbraw/zinc/77/22/88/561772288.db2.gz	OHUWKOQXGAVKIV-UHFFFAOYSA-N	0	0	553.107	2.929	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cc(OC)cc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026184617	561772426	/nfs/dbraw/zinc/77/24/26/561772426.db2.gz	ZBOPYJAIRJVQBA-JVUUKAHWSA-N	0	0	570.606	2.658	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3c(OC)ccc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026184622	561772401	/nfs/dbraw/zinc/77/24/01/561772401.db2.gz	STNFOIMVZVKSKU-JVUUKAHWSA-N	0	0	570.606	2.658	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cc(OC)cc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026185015	561772424	/nfs/dbraw/zinc/77/24/24/561772424.db2.gz	DIZLBTSEQRWCAD-VLVHCFGSSA-N	0	0	600.632	2.667	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1c[nH]c2ccccc12	ZINC000026185032	561772379	/nfs/dbraw/zinc/77/23/79/561772379.db2.gz	KLRWSWANHXZVMX-CLJLJLNGSA-N	0	0	525.609	2.528	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1c[nH]c2ccccc12	ZINC000026185037	561772398	/nfs/dbraw/zinc/77/23/98/561772398.db2.gz	KLRWSWANHXZVMX-IZZNHLLZSA-N	0	0	525.609	2.528	1	0		KFAFRN
CCOC(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000026185509	561772528	/nfs/dbraw/zinc/77/25/28/561772528.db2.gz	VYPMLUUVIPUWEX-DZUOILHNSA-N	0	0	741.916	2.731	1	0		KFAFRN
O=C(N[C@H]1[C@H](n2cnc3c2ncnc3NCc2cc(O)cc3ccccc32)O[C@H](CO)[C@H]1O)c1cccc(Cl)c1	ZINC000026186189	561772639	/nfs/dbraw/zinc/77/26/39/561772639.db2.gz	QYCNTPNUGACGBP-XABBOIKWSA-N	0	0	560.998	3.000	1	0		KFAFRN
COc1cc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)ccc1OC(C)=O	ZINC000026186492	561772793	/nfs/dbraw/zinc/77/27/93/561772793.db2.gz	WIQGZGGSYUNHFW-VLVHCFGSSA-N	0	0	598.616	2.575	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186759	561772782	/nfs/dbraw/zinc/77/27/82/561772782.db2.gz	PHBUAOMRKKWEIS-ASUDMDKOSA-N	0	0	584.633	2.528	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186766	561772738	/nfs/dbraw/zinc/77/27/38/561772738.db2.gz	PHBUAOMRKKWEIS-NAVOWQOKSA-N	0	0	584.633	2.528	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186773	561772754	/nfs/dbraw/zinc/77/27/54/561772754.db2.gz	PHBUAOMRKKWEIS-LHWXFDGDSA-N	0	0	584.633	2.528	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186779	561772749	/nfs/dbraw/zinc/77/27/49/561772749.db2.gz	PHBUAOMRKKWEIS-NLFSJDMNSA-N	0	0	584.633	2.528	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186784	561772715	/nfs/dbraw/zinc/77/27/15/561772715.db2.gz	YAVYSJYLRJLWJO-RAKSCHNQSA-N	0	0	554.607	2.519	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@H](CO)O[C@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186789	561772745	/nfs/dbraw/zinc/77/27/45/561772745.db2.gz	YAVYSJYLRJLWJO-CLPFNFTISA-N	0	0	554.607	2.519	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186795	561772759	/nfs/dbraw/zinc/77/27/59/561772759.db2.gz	YAVYSJYLRJLWJO-BGBNXGLDSA-N	0	0	554.607	2.519	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2Cn2cnc3c2ncnc3NCc2ccc3ccccc3c2)c1	ZINC000026186800	561772780	/nfs/dbraw/zinc/77/27/80/561772780.db2.gz	YAVYSJYLRJLWJO-FCRYVSRXSA-N	0	0	554.607	2.519	1	0		KFAFRN
CC(=O)Oc1ccccc1C(=O)N[C@H]1[C@H](n2cnc3c2ncnc3NCc2cccc3ccccc32)O[C@H](CO)[C@H]1O	ZINC000026186869	561772777	/nfs/dbraw/zinc/77/27/77/561772777.db2.gz	KXHWAYUDCMTIKZ-JVUUKAHWSA-N	0	0	568.590	2.566	1	0		KFAFRN
COc1ccccc1C(=O)N[C@H]1[C@H](n2cnc3c2ncnc3NCc2cccc3ccccc32)O[C@H](CO)[C@H]1O	ZINC000026186915	561772751	/nfs/dbraw/zinc/77/27/51/561772751.db2.gz	XMTMEMBBPCNHSB-BYHVZLFPSA-N	0	0	540.580	2.649	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12	ZINC000026187769	561772959	/nfs/dbraw/zinc/77/29/59/561772959.db2.gz	MNIPECDHAJEOJA-VQFWCGETSA-N	0	0	554.647	2.845	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12	ZINC000026187774	561773021	/nfs/dbraw/zinc/77/30/21/561773021.db2.gz	MNIPECDHAJEOJA-WOEHHYBBSA-N	0	0	554.647	2.845	1	0		KFAFRN
COc1ccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)cc1OC	ZINC000026188314	561773056	/nfs/dbraw/zinc/77/30/56/561773056.db2.gz	VYHODKZCPLXEDM-JVUUKAHWSA-N	0	0	570.606	2.658	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1ccccc1	ZINC000026188321	561773066	/nfs/dbraw/zinc/77/30/66/561773066.db2.gz	IJCMRRKSDBIBHZ-FCEKVYKBSA-N	0	0	513.638	2.967	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCc1ccccc1	ZINC000026188327	561773058	/nfs/dbraw/zinc/77/30/58/561773058.db2.gz	IJCMRRKSDBIBHZ-JCYYIGJDSA-N	0	0	513.638	2.967	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2c(c1)OCCO2)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12	ZINC000026189075	561773201	/nfs/dbraw/zinc/77/32/01/561773201.db2.gz	RBCOFEQCLSHPAH-VQFWCGETSA-N	0	0	596.684	2.911	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2c(c1)OCCO2)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12	ZINC000026189079	561773217	/nfs/dbraw/zinc/77/32/17/561773217.db2.gz	RBCOFEQCLSHPAH-WOEHHYBBSA-N	0	0	596.684	2.911	1	0		KFAFRN
COc1cc(OC)cc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026189382	561773325	/nfs/dbraw/zinc/77/33/25/561773325.db2.gz	OARVXDFNTLYMCJ-JVUUKAHWSA-N	0	0	570.606	2.658	1	0	in-vivo	KFAFRN
COc1ccccc1OCCN1CCN(c2cnn(CCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1	ZINC000026189952	561773428	/nfs/dbraw/zinc/77/34/28/561773428.db2.gz	ADAQXRMJVXJFFJ-UHFFFAOYSA-N	0	0	583.133	2.937	1	0		KFAFRN
Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000026248338	561773569	/nfs/dbraw/zinc/77/35/69/561773569.db2.gz	ZEBZSKDNYBGBLN-FWEHEUNISA-N	0	0	669.853	2.705	1	0		KFAFRN
CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1	ZINC000026249925	561773897	/nfs/dbraw/zinc/77/38/97/561773897.db2.gz	ISHCZZSJERQWIU-UYVIBWFJSA-N	0	0	677.865	2.796	1	0		KFAFRN
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(CN5CC[NH2+]CC5)cc4)CC3)c(F)cc2c1=O	ZINC000026254137	561774561	/nfs/dbraw/zinc/77/45/61/561774561.db2.gz	HFPVYECPJUAGMF-UHFFFAOYSA-N	0	0	519.621	2.901	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=O)N3CCCC3)C2)cc(OC)c1OC	ZINC000026254673	561774674	/nfs/dbraw/zinc/77/46/74/561774674.db2.gz	SRKIMYCJKPFSOC-OAQYLSRUSA-N	0	0	601.653	2.937	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](COC(=O)N3CCCC3)C2)cc(OC)c1OC	ZINC000026254680	561774780	/nfs/dbraw/zinc/77/47/80/561774780.db2.gz	SRKIMYCJKPFSOC-NRFANRHFSA-N	0	0	601.653	2.937	1	0		KFAFRN
CC(=O)Oc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026255199	561774735	/nfs/dbraw/zinc/77/47/35/561774735.db2.gz	WHZZRMUCUYFXLS-JVUUKAHWSA-N	0	0	568.590	2.566	1	0		KFAFRN
O=C(c1ccco1)N1CCN(c2cnn(CCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1	ZINC000026263329	561775952	/nfs/dbraw/zinc/77/59/52/561775952.db2.gz	LCRBRIXRBALAPX-UHFFFAOYSA-N	0	0	531.444	2.928	1	0		KFAFRN
CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C	ZINC000026264163	561776055	/nfs/dbraw/zinc/77/60/55/561776055.db2.gz	IPFUGNDHFBFCLN-GFOCBTRVSA-N	0	0	674.843	2.770	1	0		KFAFRN
COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCOCC1)CC2=O	ZINC000026267262	561776505	/nfs/dbraw/zinc/77/65/05/561776505.db2.gz	BHQDVFKHMDJFCL-WDJPJFJCSA-N	0	0	515.651	2.676	1	0		KFAFRN
COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1CCOCC1)CC2=O	ZINC000026267270	561776578	/nfs/dbraw/zinc/77/65/78/561776578.db2.gz	BHQDVFKHMDJFCL-VEXUSMLFSA-N	0	0	515.651	2.676	1	0		KFAFRN
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1	ZINC000026267921	561776669	/nfs/dbraw/zinc/77/66/69/561776669.db2.gz	CCJMGYBFMJJAIY-DEOSSOPVSA-N	0	0	558.635	2.893	1	0		KFAFRN
CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1	ZINC000026267929	561776630	/nfs/dbraw/zinc/77/66/30/561776630.db2.gz	CCJMGYBFMJJAIY-XMMPIXPASA-N	0	0	558.635	2.893	1	0		KFAFRN
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000026268335	561776619	/nfs/dbraw/zinc/77/66/19/561776619.db2.gz	XRKQTAWDNZKAGQ-FWEHEUNISA-N	0	0	625.829	2.629	1	0		KFAFRN
CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C	ZINC000026269007	561776809	/nfs/dbraw/zinc/77/68/09/561776809.db2.gz	DLCNQKKUXRFUON-XFTNXAEASA-N	0	0	653.821	2.719	1	0		KFAFRN
CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1	ZINC000026269026	561776816	/nfs/dbraw/zinc/77/68/16/561776816.db2.gz	RHILFWFBQHFQIB-QHCPKHFHSA-N	0	0	546.599	2.938	1	0		KFAFRN
CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1	ZINC000026269033	561776857	/nfs/dbraw/zinc/77/68/57/561776857.db2.gz	RHILFWFBQHFQIB-HSZRJFAPSA-N	0	0	546.599	2.938	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](CNC(=O)C(C)(C)C)C2)cc(OC)c1OC	ZINC000026269466	561776962	/nfs/dbraw/zinc/77/69/62/561776962.db2.gz	VCHGNWYUIYSETO-FQEVSTJZSA-N	0	0	587.670	2.867	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](CNC(=O)C(C)(C)C)C2)cc(OC)c1OC	ZINC000026269473	561776967	/nfs/dbraw/zinc/77/69/67/561776967.db2.gz	VCHGNWYUIYSETO-HXUWFJFHSA-N	0	0	587.670	2.867	1	0		KFAFRN
CCNC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000026270255	561777156	/nfs/dbraw/zinc/77/71/56/561777156.db2.gz	JVFVDIBUGJFPNY-RUZDIDTESA-N	0	0	521.639	2.673	1	0		KFAFRN
CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000026270263	561777141	/nfs/dbraw/zinc/77/71/41/561777141.db2.gz	JVFVDIBUGJFPNY-VWLOTQADSA-N	0	0	521.639	2.673	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](CC(C)C)NC(=O)c1cc(C)on1	ZINC000026272561	561777449	/nfs/dbraw/zinc/77/74/49/561777449.db2.gz	MGLHEPMYZIOKRX-DZCIMAGMSA-N	0	0	641.741	2.857	1	0		KFAFRN
O=C(NCCCN1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1	ZINC000026273634	561777769	/nfs/dbraw/zinc/77/77/69/561777769.db2.gz	XCUWJUVRTCFEJC-PMERELPUSA-N	0	0	584.717	2.827	1	0		KFAFRN
O=C(NCCCN1CCOCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1	ZINC000026273643	561777774	/nfs/dbraw/zinc/77/77/74/561777774.db2.gz	XCUWJUVRTCFEJC-SSEXGKCCSA-N	0	0	584.717	2.827	1	0		KFAFRN
CC(C)CCn1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN2CCOCC2)n(C)c1	ZINC000026273988	561777745	/nfs/dbraw/zinc/77/77/45/561777745.db2.gz	CXAJGUKZQUMOIW-UHFFFAOYSA-N	0	0	594.717	2.736	1	0		KFAFRN
CC(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1	ZINC000026274958	561778052	/nfs/dbraw/zinc/77/80/52/561778052.db2.gz	WKQCQHXLFWUDFJ-ZZDWIIDQSA-N	0	0	675.893	2.822	1	0		KFAFRN
NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1	ZINC000026277439	561778433	/nfs/dbraw/zinc/77/84/33/561778433.db2.gz	DVCSIGFDXNVOOF-JZWVFAODSA-N	0	0	512.557	2.764	1	0		KFAFRN
NC(=O)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1	ZINC000026277443	561778488	/nfs/dbraw/zinc/77/84/88/561778488.db2.gz	DVCSIGFDXNVOOF-HARLFGEKSA-N	0	0	512.557	2.764	1	0		KFAFRN
O=C(C1CCN(c2ncncc2Br)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000026277625	561778597	/nfs/dbraw/zinc/77/85/97/561778597.db2.gz	HLOHTBDHYRORIS-UHFFFAOYSA-N	0	0	573.311	2.751	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1	ZINC000026278546	561778705	/nfs/dbraw/zinc/77/87/05/561778705.db2.gz	WCKATHKWRMKNPK-QFIPXVFZSA-N	0	0	532.572	2.548	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1	ZINC000026278553	561778709	/nfs/dbraw/zinc/77/87/09/561778709.db2.gz	WCKATHKWRMKNPK-JOCHJYFZSA-N	0	0	532.572	2.548	1	0		KFAFRN
C/C=C/C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C	ZINC000026281407	561779020	/nfs/dbraw/zinc/77/90/20/561779020.db2.gz	FYXMWNWJYIAQFT-DMKROCQFSA-N	0	0	654.709	2.780	1	0		KFAFRN
COc1cccc(C(=O)N[C@@H]2[C@@H](O)[C@@H](CO)O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1	ZINC000026282845	561779250	/nfs/dbraw/zinc/77/92/50/561779250.db2.gz	UMWAFTCCAGNLMN-DASJEBLGSA-N	0	0	540.580	2.649	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2n2cnc3c2ncnc3NCc2cccc3ccccc32)c1	ZINC000026282851	561779278	/nfs/dbraw/zinc/77/92/78/561779278.db2.gz	UMWAFTCCAGNLMN-RMBNGAEESA-N	0	0	540.580	2.649	1	0		KFAFRN
COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026282858	561779267	/nfs/dbraw/zinc/77/92/67/561779267.db2.gz	UMWAFTCCAGNLMN-BYHVZLFPSA-N	0	0	540.580	2.649	1	0		KFAFRN
COc1cccc(C(=O)N[C@@H]2[C@H](n3cnc4c3ncnc4NCc3cccc4ccccc43)O[C@H](CO)[C@H]2O)c1	ZINC000026282866	561779270	/nfs/dbraw/zinc/77/92/70/561779270.db2.gz	UMWAFTCCAGNLMN-WJCHFDDQSA-N	0	0	540.580	2.649	1	0		KFAFRN
CC(C)(C)NC(=O)N(Cc1ccncc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000026283325	561779422	/nfs/dbraw/zinc/77/94/22/561779422.db2.gz	IQYYZQHLJFWTTR-OIFRRMEBSA-N	0	0	639.757	2.702	1	0		KFAFRN
CC(C)(C)NC(=O)N(Cc1ccncc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000026283330	561779470	/nfs/dbraw/zinc/77/94/70/561779470.db2.gz	IQYYZQHLJFWTTR-DTXPUJKBSA-N	0	0	639.757	2.702	1	0		KFAFRN
CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)[C@H](C)O)C(C)(C)C	ZINC000026283981	561779581	/nfs/dbraw/zinc/77/95/81/561779581.db2.gz	SOFAAHKTTVKGDZ-GEBCXBKHSA-N	0	0	662.832	2.671	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1	ZINC000026285490	561779781	/nfs/dbraw/zinc/77/97/81/561779781.db2.gz	FHSYWSNXYHJDBM-RSXGOPAZSA-N	0	0	520.630	2.728	1	0		KFAFRN
O=C(C1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000026285778	561779731	/nfs/dbraw/zinc/77/97/31/561779731.db2.gz	GJJQQXOCONOIOC-UHFFFAOYSA-N	0	0	500.518	2.989	1	0		KFAFRN
CCC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C	ZINC000026286484	561779873	/nfs/dbraw/zinc/77/98/73/561779873.db2.gz	CGPUOHKMSZWUKH-YZEIMFKGSA-N	0	0	642.698	2.614	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1	ZINC000026287672	561780083	/nfs/dbraw/zinc/78/00/83/561780083.db2.gz	AUYOZPJOPWTGLF-RPWUZVMVSA-N	0	0	520.586	2.658	1	0		KFAFRN
CC(C)(C)NC(=O)N(Cc1ccncc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000026288441	561780178	/nfs/dbraw/zinc/78/01/78/561780178.db2.gz	YKTNGJFMMFMSNS-KCHLEUMXSA-N	0	0	618.735	2.651	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1	ZINC000026288446	561780140	/nfs/dbraw/zinc/78/01/40/561780140.db2.gz	SCZIZXMZPZUEBS-VWNXMTODSA-N	0	0	520.586	2.658	1	0		KFAFRN
O=C(N1CCN(c2ccncc2Cl)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000026291176	561780605	/nfs/dbraw/zinc/78/06/05/561780605.db2.gz	IQUUVFGAQRQZPD-UHFFFAOYSA-N	0	0	528.860	2.746	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1	ZINC000026291470	561780641	/nfs/dbraw/zinc/78/06/41/561780641.db2.gz	QVNABSFZNDQTGX-RSXGOPAZSA-N	0	0	534.613	2.587	1	0		KFAFRN
CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000026292593	561780735	/nfs/dbraw/zinc/78/07/35/561780735.db2.gz	CVKKUZMEEKVVIR-AWCRTANDSA-N	0	0	604.752	2.765	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2cccc(Oc3ccccc3)c2)CC1	ZINC000026294876	561781322	/nfs/dbraw/zinc/78/13/22/561781322.db2.gz	NEIDRYJCPUQFTK-RSXGOPAZSA-N	0	0	534.613	2.587	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1	ZINC000026295113	561781326	/nfs/dbraw/zinc/78/13/26/561781326.db2.gz	ICFXJAOTAGWUIY-RPWUZVMVSA-N	0	0	510.635	2.913	1	0		KFAFRN
Cc1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1	ZINC000026295588	561781526	/nfs/dbraw/zinc/78/15/26/561781526.db2.gz	SOOOSYDXKDTIDX-OXMBMXHISA-N	0	0	657.878	2.701	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1	ZINC000026296018	561781496	/nfs/dbraw/zinc/78/14/96/561781496.db2.gz	JVIDBUXMDULTFZ-RPWUZVMVSA-N	0	0	504.587	2.533	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1	ZINC000026296230	561781607	/nfs/dbraw/zinc/78/16/07/561781607.db2.gz	ITSMYKQDPHZPSC-RPWUZVMVSA-N	0	0	520.586	2.658	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1	ZINC000026375680	561781773	/nfs/dbraw/zinc/78/17/73/561781773.db2.gz	DUGSEPGMXTZBQB-FTJBHMTQSA-N	0	0	532.641	2.651	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(CCCc3ccccc3)cc2)CC1	ZINC000026376142	561782065	/nfs/dbraw/zinc/78/20/65/561782065.db2.gz	PZPGGBJAZPANHC-PXJZQJOASA-N	0	0	560.695	2.970	1	0		KFAFRN
CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000026377038	581094704	/nfs/dbraw/zinc/09/47/04/581094704.db2.gz	USQYZVYUUXQZHL-BJJDYEEQSA-N	0	0	574.747	2.560	1	0		KFAFRN
CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000026377040	581094706	/nfs/dbraw/zinc/09/47/06/581094706.db2.gz	USQYZVYUUXQZHL-JDCTXFJWSA-N	0	0	574.747	2.560	1	0		KFAFRN
CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000026377042	581094702	/nfs/dbraw/zinc/09/47/02/581094702.db2.gz	USQYZVYUUXQZHL-JBGDWIKQSA-N	0	0	574.747	2.560	1	0		KFAFRN
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000026377044	561782361	/nfs/dbraw/zinc/78/23/61/561782361.db2.gz	USQYZVYUUXQZHL-QWOIFIOOSA-N	0	0	574.747	2.560	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1	ZINC000026377204	561782367	/nfs/dbraw/zinc/78/23/67/561782367.db2.gz	PBNVQWGCOXPACH-LAJGZZDBSA-N	0	0	552.716	2.575	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1	ZINC000026377875	561782536	/nfs/dbraw/zinc/78/25/36/561782536.db2.gz	IHPYACRQPFUMAM-LJWNLINESA-N	0	0	596.725	2.711	1	0		KFAFRN
CCc1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1	ZINC000026378164	561782689	/nfs/dbraw/zinc/78/26/89/561782689.db2.gz	BRKFGSNMJMENFB-PCYHVKPNSA-N	0	0	671.905	2.955	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000026378393	561782873	/nfs/dbraw/zinc/78/28/73/561782873.db2.gz	ZPTYDNODWOJNDO-RPWUZVMVSA-N	0	0	504.587	2.533	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C)NC(=O)c1c[nH]c2ccccc12	ZINC000026378568	561782839	/nfs/dbraw/zinc/78/28/39/561782839.db2.gz	XGXTVVPEZKMMFG-DCMFLLSESA-N	0	0	709.848	2.708	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C)NC(=O)c1c[nH]c2ccccc12	ZINC000026378572	561782807	/nfs/dbraw/zinc/78/28/07/561782807.db2.gz	XGXTVVPEZKMMFG-OWHBQTKESA-N	0	0	709.848	2.708	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)N[C@H](CCC(N)=O)C(=O)NC(C)(C)C)NC(=O)c1c[nH]c2ccccc12	ZINC000026378574	561782866	/nfs/dbraw/zinc/78/28/66/561782866.db2.gz	XGXTVVPEZKMMFG-XWHIBYANSA-N	0	0	709.848	2.708	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N[C@H](CCC(N)=O)C(=O)NC(C)(C)C)NC(=O)c1c[nH]c2ccccc12	ZINC000026378577	561782796	/nfs/dbraw/zinc/78/27/96/561782796.db2.gz	XGXTVVPEZKMMFG-YKILCQELSA-N	0	0	709.848	2.708	1	0		KFAFRN
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCCc2ccccc2)CC1	ZINC000026379621	561783148	/nfs/dbraw/zinc/78/31/48/561783148.db2.gz	WURLDWQYIPYVLC-NOZRDPDXSA-N	0	0	512.651	2.745	1	0		KFAFRN
CC(=O)N[C@@H](C(=O)NCCCC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000026379750	561783100	/nfs/dbraw/zinc/78/31/00/561783100.db2.gz	WRBCANNMMFZPOQ-XTBGFMJUSA-N	0	0	682.822	2.824	1	0		KFAFRN
CC(=O)N[C@H](C(=O)NCCCC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000026379753	561783088	/nfs/dbraw/zinc/78/30/88/561783088.db2.gz	WRBCANNMMFZPOQ-UCLRMPJUSA-N	0	0	682.822	2.824	1	0		KFAFRN
CC(=O)N[C@@H](C(=O)NCCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000026379756	561783091	/nfs/dbraw/zinc/78/30/91/561783091.db2.gz	WRBCANNMMFZPOQ-SIKQJHEHSA-N	0	0	682.822	2.824	1	0		KFAFRN
CC(=O)N[C@H](C(=O)NCCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000026379759	561783150	/nfs/dbraw/zinc/78/31/50/561783150.db2.gz	WRBCANNMMFZPOQ-UQLAGNSVSA-N	0	0	682.822	2.824	1	0		KFAFRN
CC(=O)N[C@H](C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000026380280	561783188	/nfs/dbraw/zinc/78/31/88/561783188.db2.gz	QYVYYOAHLLBKSI-CDRFCRCCSA-N	0	0	682.822	2.824	1	0		KFAFRN
CS(=O)(=O)N1CCC[C@H]1[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O	ZINC000026383238	561783698	/nfs/dbraw/zinc/78/36/98/561783698.db2.gz	MTYCIOUNOCYLSE-VQTJNVASSA-N	0	0	552.549	2.791	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026383494	561783855	/nfs/dbraw/zinc/78/38/55/561783855.db2.gz	SZVGGXRNUYPZQE-QEUNAIBPSA-N	0	0	654.853	2.655	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCOCC1	ZINC000026383845	561783875	/nfs/dbraw/zinc/78/38/75/561783875.db2.gz	WGCPZAUVBBFSKE-QEUNAIBPSA-N	0	0	654.853	2.703	1	0		KFAFRN
CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cccc(O)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	ZINC000026384145	561784010	/nfs/dbraw/zinc/78/40/10/561784010.db2.gz	DMISINIQIKNYRB-OXMBMXHISA-N	0	0	658.862	2.703	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)C	ZINC000026384290	561783993	/nfs/dbraw/zinc/78/39/93/561783993.db2.gz	BUTLRPLOHRQFSC-MYHRABSESA-N	0	0	598.789	2.543	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1	ZINC000026384724	561784128	/nfs/dbraw/zinc/78/41/28/561784128.db2.gz	BZLKEVBCMKAFEF-QCZWDIFZSA-N	0	0	639.838	2.768	1	0		KFAFRN
CC1(C)C(=O)NC(=O)N1C[C@@H](CS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O	ZINC000026385209	561784126	/nfs/dbraw/zinc/78/41/26/561784126.db2.gz	JGARQZXVQXLEJV-INIZCTEOSA-N	0	0	529.493	2.573	1	0		KFAFRN
CC1(C)C(=O)NC(=O)N1C[C@H](CS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O	ZINC000026385212	561784112	/nfs/dbraw/zinc/78/41/12/561784112.db2.gz	JGARQZXVQXLEJV-MRXNPFEDSA-N	0	0	529.493	2.573	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(=Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026385389	561784244	/nfs/dbraw/zinc/78/42/44/561784244.db2.gz	YDWHNNCMHCFRIL-ZJZJZCOZSA-N	0	0	638.810	2.743	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(=Cc1ccccc1)CC(=O)N1CCOCC1	ZINC000026385393	561784231	/nfs/dbraw/zinc/78/42/31/561784231.db2.gz	YJRMSIGIZFUSEF-DIUKSWKISA-N	0	0	637.822	2.993	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1	ZINC000026388325	561785105	/nfs/dbraw/zinc/78/51/05/561785105.db2.gz	IHPYACRQPFUMAM-LAJGZZDBSA-N	0	0	596.725	2.711	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1	ZINC000026389016	561785196	/nfs/dbraw/zinc/78/51/96/561785196.db2.gz	JLXIREFYHQBCCG-STVCLKQXSA-N	0	0	641.810	2.740	1	0		KFAFRN
Cc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cn1	ZINC000026389767	561785462	/nfs/dbraw/zinc/78/54/62/561785462.db2.gz	DGGXBEKTNLTNMJ-OXMBMXHISA-N	0	0	657.878	2.701	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)c(F)c2)C(=O)O1	ZINC000026391976	561786033	/nfs/dbraw/zinc/78/60/33/561786033.db2.gz	LVRRABPNWUBMLO-SFHVURJKSA-N	0	0	555.426	2.560	1	0		KFAFRN
CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)C(C)C	ZINC000026392562	561786141	/nfs/dbraw/zinc/78/61/41/561786141.db2.gz	FRRUPPDKKTVORB-OASJLCFRSA-N	0	0	527.662	2.853	1	0	in-vivo	KFAFRN
CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)C(C)C	ZINC000026392566	561786140	/nfs/dbraw/zinc/78/61/40/561786140.db2.gz	FRRUPPDKKTVORB-DXBVXKBHSA-N	0	0	527.662	2.853	1	0	in-vivo	KFAFRN
CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)C(C)C	ZINC000026392570	561786133	/nfs/dbraw/zinc/78/61/33/561786133.db2.gz	FRRUPPDKKTVORB-XFAFFCHDSA-N	0	0	527.662	2.853	1	0	in-vivo	KFAFRN
CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)C(C)C	ZINC000026392574	561786143	/nfs/dbraw/zinc/78/61/43/561786143.db2.gz	FRRUPPDKKTVORB-DPZBCOQUSA-N	0	0	527.662	2.853	1	0	in-vivo	KFAFRN
CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O	ZINC000026393222	561786214	/nfs/dbraw/zinc/78/62/14/561786214.db2.gz	WCYAWVVNZFAEIQ-AWEZNQCLSA-N	0	0	545.492	2.698	1	0		KFAFRN
CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O	ZINC000026393226	561786307	/nfs/dbraw/zinc/78/63/07/561786307.db2.gz	WCYAWVVNZFAEIQ-CQSZACIVSA-N	0	0	545.492	2.698	1	0		KFAFRN
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1	ZINC000026393979	561786342	/nfs/dbraw/zinc/78/63/42/561786342.db2.gz	YRALXJNJWTYGEW-NRFANRHFSA-N	0	0	542.683	2.547	1	0		KFAFRN
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F	ZINC000026394534	561786564	/nfs/dbraw/zinc/78/65/64/561786564.db2.gz	XQAMVCHQGHAELT-BDTNDASRSA-N	0	0	632.627	2.812	1	0		KFAFRN
C[C@@H](NC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1)C(=O)N[C@H](C)C(=O)OC(C)(C)C	ZINC000026394755	561786568	/nfs/dbraw/zinc/78/65/68/561786568.db2.gz	KNWYXKACVOBABE-MHYRICRISA-N	0	0	547.586	2.666	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CON1C(=O)CCC1=O	ZINC000026395448	561786782	/nfs/dbraw/zinc/78/67/82/561786782.db2.gz	IKOBCBJOQCKOJC-XZOQPEGZSA-N	0	0	523.586	2.705	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CON1C(=O)CCC1=O	ZINC000026395451	561786775	/nfs/dbraw/zinc/78/67/75/561786775.db2.gz	IKOBCBJOQCKOJC-GOTSBHOMSA-N	0	0	523.586	2.705	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CON1C(=O)CCC1=O	ZINC000026395455	561786802	/nfs/dbraw/zinc/78/68/02/561786802.db2.gz	IKOBCBJOQCKOJC-DHIUTWEWSA-N	0	0	523.586	2.705	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CON1C(=O)CCC1=O	ZINC000026395459	561786793	/nfs/dbraw/zinc/78/67/93/561786793.db2.gz	IKOBCBJOQCKOJC-PKTZIBPZSA-N	0	0	523.586	2.705	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COn1nnc2cccnc21	ZINC000026397051	561787286	/nfs/dbraw/zinc/78/72/86/561787286.db2.gz	NVDXAFXCDYPNMW-LOSJGSFVSA-N	0	0	544.612	2.893	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COn1nnc2cccnc21	ZINC000026397055	561787314	/nfs/dbraw/zinc/78/73/14/561787314.db2.gz	NVDXAFXCDYPNMW-DQEYMECFSA-N	0	0	544.612	2.893	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COn1nnc2cccnc21	ZINC000026397060	561787340	/nfs/dbraw/zinc/78/73/40/561787340.db2.gz	NVDXAFXCDYPNMW-JWQCQUIFSA-N	0	0	544.612	2.893	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COn1nnc2cccnc21	ZINC000026397064	561787263	/nfs/dbraw/zinc/78/72/63/561787263.db2.gz	NVDXAFXCDYPNMW-RPBOFIJWSA-N	0	0	544.612	2.893	1	0		KFAFRN
CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O	ZINC000026400104	561788051	/nfs/dbraw/zinc/78/80/51/561788051.db2.gz	AZZIEIBZYVOPLB-MNTMQBIHSA-N	0	0	724.907	2.746	1	0		KFAFRN
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1	ZINC000026402723	561788761	/nfs/dbraw/zinc/78/87/61/561788761.db2.gz	WDPUKCRMRKFUHN-UHFFFAOYSA-N	0	0	517.482	2.621	1	0		KFAFRN
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1	ZINC000026403398	561789109	/nfs/dbraw/zinc/78/91/09/561789109.db2.gz	HFBOFILREKLDAP-UHFFFAOYSA-N	0	0	531.509	2.664	1	0		KFAFRN
O=C(NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026403499	561789038	/nfs/dbraw/zinc/78/90/38/561789038.db2.gz	KUHKUEPPTKJUMQ-QHCPKHFHSA-N	0	0	562.673	2.815	1	0		KFAFRN
CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1	ZINC000026404041	561789325	/nfs/dbraw/zinc/78/93/25/561789325.db2.gz	INZYKFRIVKGLKF-QFIPXVFZSA-N	0	0	556.710	2.937	1	0		KFAFRN
CO[C@@]1(NC(=O)Cc2ccc(O)cc2)C(=O)N2C(C(=O)OCc3cccc(C)c3)=C(CSc3nnc(C)s3)CO[C@@H]21	ZINC000026404287	561789331	/nfs/dbraw/zinc/78/93/31/561789331.db2.gz	GBQQHJACSVBXNY-IAPPQJPRSA-N	0	0	596.687	2.850	1	0		KFAFRN
COc1ccc(C(=O)N[C@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@@H]32)cc1	ZINC000026404681	561789742	/nfs/dbraw/zinc/78/97/42/561789742.db2.gz	YPODPHDYCRZTBR-BHYZAODMSA-N	0	0	642.694	2.869	1	0		KFAFRN
COc1ccc(CC(=O)N[C@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@@H]32)cc1	ZINC000026404688	561789656	/nfs/dbraw/zinc/78/96/56/561789656.db2.gz	RPPWRHYBDZCGQR-VTIYRKAUSA-N	0	0	656.721	2.798	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)c3sc(NC(C)=O)nc3C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000026404711	561789748	/nfs/dbraw/zinc/78/97/48/561789748.db2.gz	PBZOTUALKRQSTD-AZIXLERZSA-N	0	0	617.658	2.816	1	0		KFAFRN
CC(=O)N1CCN(Cc2ccc(S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)cc2)CC1	ZINC000026468415	561789960	/nfs/dbraw/zinc/78/99/60/561789960.db2.gz	YJGVAQDDIGMUQR-NDEPHWFRSA-N	0	0	688.634	2.662	1	0		KFAFRN
CC(=O)OC[C@H]1[C@H]2[C@H](O)[C@@H]3C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1OC(C)=O)C3(C)C	ZINC000026468521	565106480	/nfs/dbraw/zinc/10/64/80/565106480.db2.gz	LXSXHYVFNXASJF-PNQAOHGVSA-N	0	0	638.707	2.588	1	0	biogenic,in-vitro	KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)c3ccc(N)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000026469755	561790241	/nfs/dbraw/zinc/79/02/41/561790241.db2.gz	WYIKURWMTXWWHA-LVEBQJTPSA-N	0	0	554.577	2.675	1	0		KFAFRN
COC(=O)c1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	ZINC000026469825	561790280	/nfs/dbraw/zinc/79/02/80/561790280.db2.gz	VTPJTXUQWSUODD-VTIYRKAUSA-N	0	0	670.704	2.647	1	0		KFAFRN
COc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	ZINC000026470377	561790372	/nfs/dbraw/zinc/79/03/72/561790372.db2.gz	KDKQAXWXGRXWQJ-BHYZAODMSA-N	0	0	642.694	2.869	1	0		KFAFRN
COc1cccc(C(=O)N[C@]2(OC)C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4nnnn4C)CO[C@@H]32)c1	ZINC000026470384	561790409	/nfs/dbraw/zinc/79/04/09/561790409.db2.gz	GOUAHRMUKZHEPS-BHYZAODMSA-N	0	0	642.694	2.869	1	0		KFAFRN
CCCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C	ZINC000026471832	561790658	/nfs/dbraw/zinc/79/06/58/561790658.db2.gz	KUVJCFZJLDGYQR-LFBFJMOVSA-N	0	0	575.751	2.566	1	0		KFAFRN
CO[C@@]1(NC(=O)Cc2ccccc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	ZINC000026474965	561790964	/nfs/dbraw/zinc/79/09/64/561790964.db2.gz	DOYCKAHDSFTMRX-BHYZAODMSA-N	0	0	626.695	2.789	1	0		KFAFRN
CCOC(=O)CN1CCN(C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4cccc(C(F)(F)F)c4)cc3)C(=O)O2)CC1	ZINC000026475815	561791068	/nfs/dbraw/zinc/79/10/68/561791068.db2.gz	NCGBMINFKNKUPQ-JOCHJYFZSA-N	0	0	561.561	2.967	1	0		KFAFRN
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3[C@H](CO)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000026479685	291754134	/nfs/dbraw/zinc/75/41/34/291754134.db2.gz	NSFKWNXCHYPDIT-PNQAOHGVSA-N	0	0	638.707	2.588	1	0	biogenic,in-vitro	KFAFRN
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C	ZINC000026484313	561792240	/nfs/dbraw/zinc/79/22/40/561792240.db2.gz	LYIXMNCFLQPSMJ-JAYDILGYSA-N	0	0	682.863	2.761	1	0		KFAFRN
CO[C@@]1(NC(=O)Cc2ccc(N(C)C)cc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	ZINC000026485502	561792425	/nfs/dbraw/zinc/79/24/25/561792425.db2.gz	KSRYARXKFMIXFA-CWTKIQHKSA-N	0	0	669.764	2.855	1	0		KFAFRN
O=C([O-])[C@H](CNC(=O)c1cc2cc(CCCC3CC[NH2+]CC3)sc2s1)NS(=O)(=O)c1cccnc1	ZINC000026491578	561793372	/nfs/dbraw/zinc/79/33/72/561793372.db2.gz	PKYSZSSSDKLPDK-IBGZPJMESA-N	0	0	536.701	2.842	1	0		KFAFRN
CC(C)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(F)(F)C(F)(F)F)C(C)C	ZINC000026491681	561793378	/nfs/dbraw/zinc/79/33/78/561793378.db2.gz	XQAMVCHQGHAELT-BHDDXSALSA-N	0	0	632.627	2.812	1	0		KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NCC(F)(F)F	ZINC000026497695	561794674	/nfs/dbraw/zinc/79/46/74/561794674.db2.gz	QZFMDUIJQLWDSF-VGWIIAMSSA-N	0	0	639.719	2.631	1	0		KFAFRN
CC(C)[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F	ZINC000026500032	561795257	/nfs/dbraw/zinc/79/52/57/561795257.db2.gz	UOYRSBVRAZEBTA-HBMCJLEFSA-N	0	0	650.667	2.722	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C	ZINC000026500036	561795240	/nfs/dbraw/zinc/79/52/40/561795240.db2.gz	UOYRSBVRAZEBTA-ACRUOGEOSA-N	0	0	650.667	2.722	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCOCC1	ZINC000026500287	561795353	/nfs/dbraw/zinc/79/53/53/561795353.db2.gz	IAPSNUFKTLQEHJ-GOTSBHOMSA-N	0	0	545.583	2.728	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCOCC1	ZINC000026500290	561795340	/nfs/dbraw/zinc/79/53/40/561795340.db2.gz	IAPSNUFKTLQEHJ-PKTZIBPZSA-N	0	0	545.583	2.728	1	0		KFAFRN
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000026501388	561795569	/nfs/dbraw/zinc/79/55/69/561795569.db2.gz	VWBSXMCGLZGNHB-DTXPUJKBSA-N	0	0	621.698	2.669	1	0		KFAFRN
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000026501840	561795630	/nfs/dbraw/zinc/79/56/30/561795630.db2.gz	VQXIKQVYEMDLBG-AWCRTANDSA-N	0	0	597.672	2.875	1	0		KFAFRN
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000026504519	561796207	/nfs/dbraw/zinc/79/62/07/561796207.db2.gz	LAHLWYYVIVTLGE-DTXPUJKBSA-N	0	0	621.698	2.669	1	0		KFAFRN
COC(=O)CCc1ccc(O)c(Oc2ccc(CCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)cc2)c1	ZINC000026504533	561796202	/nfs/dbraw/zinc/79/62/02/561796202.db2.gz	NFOXSIOUIDUQRF-FQEVSTJZSA-N	0	0	529.590	2.718	1	0		KFAFRN
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000026566897	561797237	/nfs/dbraw/zinc/79/72/37/561797237.db2.gz	RKXHGESKEAOTMO-ZYADHFCISA-N	0	0	729.838	2.915	1	0		KFAFRN
CC(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C	ZINC000026569842	561797882	/nfs/dbraw/zinc/79/78/82/561797882.db2.gz	IIGPIJYBMWRUFJ-RLFQZUIESA-N	0	0	581.758	2.504	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000026570944	561798007	/nfs/dbraw/zinc/79/80/07/561798007.db2.gz	WFVJLROVGLXFHD-MUWYDATGSA-N	0	0	689.858	2.730	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000026570948	561798050	/nfs/dbraw/zinc/79/80/50/561798050.db2.gz	WFVJLROVGLXFHD-WFCHRNBFSA-N	0	0	689.858	2.730	1	0		KFAFRN
COC(=O)[C@H](N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1F)OCC(Cl)(Cl)Cl)C(C)C	ZINC000026571573	561798139	/nfs/dbraw/zinc/79/81/39/561798139.db2.gz	WUBZKMYXKOPVEY-LXZZPIMASA-N	0	0	568.750	2.769	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000026572598	561798238	/nfs/dbraw/zinc/79/82/38/561798238.db2.gz	FQUMZBUUCZYWIY-MUWYDATGSA-N	0	0	687.842	2.506	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000026572601	561798461	/nfs/dbraw/zinc/79/84/61/561798461.db2.gz	FQUMZBUUCZYWIY-WFCHRNBFSA-N	0	0	687.842	2.506	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000026572721	561798440	/nfs/dbraw/zinc/79/84/40/561798440.db2.gz	ZHCNNRQUQRISNY-GXSNQGPDSA-N	0	0	707.848	2.678	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000026572724	561798397	/nfs/dbraw/zinc/79/83/97/561798397.db2.gz	ZHCNNRQUQRISNY-LWFRIAQDSA-N	0	0	707.848	2.678	1	0		KFAFRN
COC(=O)[C@@H](N)CCCC/N=c1\ccc2c(cc1O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000026574180	561798719	/nfs/dbraw/zinc/79/87/19/561798719.db2.gz	FTLHCEAFWUCXSM-SFTDATJTSA-N	0	0	527.618	2.780	1	0		KFAFRN
COC(=O)[C@H](N)CCCC/N=c1\ccc2c(cc1O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000026574182	561798733	/nfs/dbraw/zinc/79/87/33/561798733.db2.gz	FTLHCEAFWUCXSM-RTWAWAEBSA-N	0	0	527.618	2.780	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@H](n2cnc3c2ncnc3N)O1)Oc1ccc(I)cc1	ZINC000026575519	561799268	/nfs/dbraw/zinc/79/92/68/561799268.db2.gz	TUMBBIMTFYKAJM-ORGHJSFTSA-N	0	0	600.310	2.822	1	0		KFAFRN
O=CNc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC=O	ZINC000026575550	561799278	/nfs/dbraw/zinc/79/92/78/561799278.db2.gz	IZXVZSSEDRZLCZ-RTNMLALUSA-N	0	0	594.668	2.927	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@H](n2cnc3c2ncnc3N)O1)Oc1ccc(Br)cc1	ZINC000026575820	561799515	/nfs/dbraw/zinc/79/95/15/561799515.db2.gz	GIYDIZHRJJOHLB-ORGHJSFTSA-N	0	0	553.310	2.979	1	0		KFAFRN
CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H]([C@H](C)O)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O	ZINC000026576356	561800122	/nfs/dbraw/zinc/80/01/22/561800122.db2.gz	ZRXTWANYUWDWGZ-MPPGMUGVSA-N	0	0	558.672	2.600	1	0		KFAFRN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C(=O)CCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1	ZINC000026576484	561800354	/nfs/dbraw/zinc/80/03/54/561800354.db2.gz	DMJAKJXRBBTEDQ-UHFFFAOYSA-N	0	0	618.156	2.820	1	0		KFAFRN
O=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1	ZINC000026576720	561800577	/nfs/dbraw/zinc/80/05/77/561800577.db2.gz	ZYXIJJRMVZTMOR-VWLOTQADSA-N	0	0	521.625	2.954	1	0		KFAFRN
O=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1	ZINC000026576721	561800584	/nfs/dbraw/zinc/80/05/84/561800584.db2.gz	ZYXIJJRMVZTMOR-RUZDIDTESA-N	0	0	521.625	2.954	1	0		KFAFRN
O=C([O-])[C@H](CCC(=O)N1CCN(c2cccc(NC3=[NH+]CCCCN3)c2)CC1)NC(=O)OCc1ccccc1	ZINC000026576777	561800586	/nfs/dbraw/zinc/80/05/86/561800586.db2.gz	JGRADSKQVRSSDT-DEOSSOPVSA-N	0	0	536.633	2.646	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1	ZINC000026577107	561800915	/nfs/dbraw/zinc/80/09/15/561800915.db2.gz	OPQKDEDGEANJNG-PJRHAEEISA-N	0	0	686.916	2.715	1	0		KFAFRN
Cc1nccn1CCCCc1ccc([C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1	ZINC000026577284	561801180	/nfs/dbraw/zinc/80/11/80/561801180.db2.gz	DHKCVIJISBXPOV-MOBIUZRASA-N	0	0	654.853	2.949	1	0		KFAFRN
C[NH+](C)CCSc1ccc(/C=c2\[n-]c(=O)/c(=C/c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2=O)s1	ZINC000026577467	561801582	/nfs/dbraw/zinc/80/15/82/561801582.db2.gz	GEAIAIPAHMQOLH-IDUDEYGOSA-N	0	0	518.664	2.688	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)C(=O)N[C@@H](C)c1ccccc1)C(C)(C)C	ZINC000026577822	561802332	/nfs/dbraw/zinc/80/23/32/561802332.db2.gz	VFWYFMOQNQFNHZ-GLDQWNPASA-N	0	0	725.838	2.976	1	0		KFAFRN
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	561802459	/nfs/dbraw/zinc/80/24/59/561802459.db2.gz	JKBLKEZCQDCPCX-SQJMNOBHSA-N	0	0	536.537	2.505	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1	ZINC000026578267	561802947	/nfs/dbraw/zinc/80/29/47/561802947.db2.gz	OVUWFJGETKMBNE-USXSPERKSA-N	0	0	675.831	2.882	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1	ZINC000026578268	561802942	/nfs/dbraw/zinc/80/29/42/561802942.db2.gz	OVUWFJGETKMBNE-GDEBMMAJSA-N	0	0	675.831	2.882	1	0		KFAFRN
COc1cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc(OC)c1C(=O)c1c([O-])cccc1O	ZINC000026578433	561803299	/nfs/dbraw/zinc/80/32/99/561803299.db2.gz	IXQASSOIGZLBSC-SIKLNZKXSA-N	0	0	550.564	2.759	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)C(=O)N[C@@H](C)c1ccccc1)C(C)C	ZINC000026578552	561803582	/nfs/dbraw/zinc/80/35/82/561803582.db2.gz	KUWUBXQLTZZSCW-YKICWSMBSA-N	0	0	711.811	2.585	1	0		KFAFRN
O=C(N[C@@H]1CCC[C@@H]1OC(=O)c1cc(O)c(-c2[nH][nH]c(=O)c3cccc(=O)c2-3)c(O)c1)c1ccc(O)cc1	ZINC000026579151	561804140	/nfs/dbraw/zinc/80/41/40/561804140.db2.gz	NMEBHVJGDHILBV-UTKZUKDTSA-N	0	0	517.494	2.920	1	0		KFAFRN
O=C(N[C@H]1CCC[C@@H]1OC(=O)c1cc(O)c(-c2[nH][nH]c(=O)c3cccc(=O)c2-3)c(O)c1)c1ccc(O)cc1	ZINC000026579152	561804148	/nfs/dbraw/zinc/80/41/48/561804148.db2.gz	NMEBHVJGDHILBV-UWJYYQICSA-N	0	0	517.494	2.920	1	0		KFAFRN
O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc(O)c(-c2[nH][nH]c(=O)c3cccc(=O)c2-3)c(O)c1)c1ccc(O)cc1	ZINC000026579153	561804212	/nfs/dbraw/zinc/80/42/12/561804212.db2.gz	NMEBHVJGDHILBV-LAUBAEHRSA-N	0	0	517.494	2.920	1	0		KFAFRN
O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCN(c4ncccn4)CC3)ccc1-2	ZINC000026579228	561804265	/nfs/dbraw/zinc/80/42/65/561804265.db2.gz	OOKBCIWBXSVSRE-UHFFFAOYSA-N	0	0	646.756	2.780	1	0		KFAFRN
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026579403	561804749	/nfs/dbraw/zinc/80/47/49/561804749.db2.gz	VQRRRZBHTMCDDO-FAKFISEUSA-N	0	0	540.569	2.585	1	0		KFAFRN
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026579404	561804707	/nfs/dbraw/zinc/80/47/07/561804707.db2.gz	VQRRRZBHTMCDDO-ISHFTEKXSA-N	0	0	540.569	2.585	1	0		KFAFRN
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026579405	561804654	/nfs/dbraw/zinc/80/46/54/561804654.db2.gz	VQRRRZBHTMCDDO-DZCCDHAISA-N	0	0	540.569	2.585	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1	ZINC000026579606	561805019	/nfs/dbraw/zinc/80/50/19/561805019.db2.gz	LIXBSOHVZDEEHF-WBCRQVGVSA-N	0	0	592.684	2.509	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1	ZINC000026579607	561804934	/nfs/dbraw/zinc/80/49/34/561804934.db2.gz	LIXBSOHVZDEEHF-FOZARLDVSA-N	0	0	592.684	2.509	1	0		KFAFRN
COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000026637286	561805934	/nfs/dbraw/zinc/80/59/34/561805934.db2.gz	BUAUHIXXHNVYEQ-UHFFFAOYSA-N	0	0	586.667	2.734	1	0		KFAFRN
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026637985	561806060	/nfs/dbraw/zinc/80/60/60/561806060.db2.gz	VQRRRZBHTMCDDO-IHFIDZABSA-N	0	0	540.569	2.585	1	0		KFAFRN
O=C([O-])[C@H]1CCCC[C@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026637991	561806073	/nfs/dbraw/zinc/80/60/73/561806073.db2.gz	VQRRRZBHTMCDDO-QTDGGUCWSA-N	0	0	540.569	2.585	1	0		KFAFRN
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026637996	561806030	/nfs/dbraw/zinc/80/60/30/561806030.db2.gz	VQRRRZBHTMCDDO-XFGYDDDFSA-N	0	0	540.569	2.585	1	0		KFAFRN
COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000026638400	561806167	/nfs/dbraw/zinc/80/61/67/561806167.db2.gz	ZWHWLZKIFKWGFS-UHFFFAOYSA-N	0	0	544.630	2.532	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(-c5cccs5)no4)CC3)c(F)c2)C(=O)O1	ZINC000026639349	561806380	/nfs/dbraw/zinc/80/63/80/561806380.db2.gz	RYWKKMYBMSIWCL-KRWDZBQOSA-N	0	0	513.551	2.966	1	0		KFAFRN
COc1cccc(OC)c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026640783	561806647	/nfs/dbraw/zinc/80/66/47/561806647.db2.gz	JZNYVCGRZGCBKY-SIKLNZKXSA-N	0	0	550.564	2.759	1	0		KFAFRN
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCNC(=O)C1=O	ZINC000026642443	561806845	/nfs/dbraw/zinc/80/68/45/561806845.db2.gz	ZCRLFINHXYZBOC-QUUJSONZSA-N	0	0	642.797	2.871	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC2(OCCO2)[C@H](O)[C@H](CC2CCCCC2)NC1=O	ZINC000026643632	561807097	/nfs/dbraw/zinc/80/70/97/561807097.db2.gz	WZKOVMBSHSOODL-PFWSVGDOSA-N	0	0	644.810	2.857	1	0		KFAFRN
CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)C[C@@H](O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C	ZINC000026643790	561807059	/nfs/dbraw/zinc/80/70/59/561807059.db2.gz	PNRVXOAJKBQGEC-JMMKUYMESA-N	0	0	639.879	2.522	1	0		KFAFRN
CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C	ZINC000026643796	561807116	/nfs/dbraw/zinc/80/71/16/561807116.db2.gz	PNRVXOAJKBQGEC-SKPBLIJTSA-N	0	0	639.879	2.522	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O	ZINC000026644147	561807201	/nfs/dbraw/zinc/80/72/01/561807201.db2.gz	DYNAXOPFOQSIRV-HQQJGFCBSA-N	0	0	600.757	2.683	1	0		KFAFRN
CC(C)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000026645077	561807428	/nfs/dbraw/zinc/80/74/28/561807428.db2.gz	YJAJNVDECBFWNJ-XARGGIHNSA-N	0	0	510.720	2.576	1	0		KFAFRN
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)CCCC[NH+]3CCC4(CC3)NC(=O)NC4=O)c(OC)cc2OC)cc1	ZINC000026646599	561807466	/nfs/dbraw/zinc/80/74/66/561807466.db2.gz	STMWPBLSVVYQOJ-UHFFFAOYSA-N	0	0	574.656	2.540	1	0		KFAFRN
COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000026648279	561807905	/nfs/dbraw/zinc/80/79/05/561807905.db2.gz	SCUZRKCVDYLNBJ-UHFFFAOYSA-N	0	0	558.657	2.840	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C	ZINC000026650798	561808332	/nfs/dbraw/zinc/80/83/32/561808332.db2.gz	LAQXJGUAIIHFMN-DPKNHNCWSA-N	0	0	649.789	2.541	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C	ZINC000026650804	561808316	/nfs/dbraw/zinc/80/83/16/561808316.db2.gz	LAQXJGUAIIHFMN-ALXSWLNFSA-N	0	0	649.789	2.541	1	0		KFAFRN
COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000026652708	561808775	/nfs/dbraw/zinc/80/87/75/561808775.db2.gz	GLBXGURUAAGNJO-UHFFFAOYSA-N	0	0	562.620	2.671	1	0		KFAFRN
CC(C)OC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21	ZINC000026655902	561809259	/nfs/dbraw/zinc/80/92/59/561809259.db2.gz	XYGPJCYTYWXAFA-BSRAHXRFSA-N	0	0	683.806	2.738	1	0		KFAFRN
CC(C)OC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21	ZINC000026655907	561809250	/nfs/dbraw/zinc/80/92/50/561809250.db2.gz	XYGPJCYTYWXAFA-IYGIBWMDSA-N	0	0	683.806	2.738	1	0		KFAFRN
CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cc2ccccc2)CSC1(C)C	ZINC000026657850	561809836	/nfs/dbraw/zinc/80/98/36/561809836.db2.gz	IIUYNOCBVMYAHS-OEMFJLHTSA-N	0	0	511.688	2.912	1	0		KFAFRN
CN1CCN(C(=O)CSC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1	ZINC000026660087	561810191	/nfs/dbraw/zinc/81/01/91/561810191.db2.gz	PGEVIHBMXCRGGJ-YDPTYEFTSA-N	0	0	727.973	2.896	1	0		KFAFRN
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NC(C)(C)C)cc1	ZINC000026660665	561810380	/nfs/dbraw/zinc/81/03/80/561810380.db2.gz	BGYMYZNZTXVIHI-RJGXRXQPSA-N	0	0	527.687	2.992	1	0		KFAFRN
C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2O[C@@H](O)[C@@]1(C)O	ZINC000026663515	561810743	/nfs/dbraw/zinc/81/07/43/561810743.db2.gz	SQVSFEYLFQAEOP-JXAAYRMRSA-N	0	0	624.724	2.940	1	0		KFAFRN
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(N)=O	ZINC000026665907	561811187	/nfs/dbraw/zinc/81/11/87/561811187.db2.gz	SGHUMLUGEKGUAB-GSDHBNRESA-N	0	0	639.775	2.945	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3cccnc32)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026666761	561811389	/nfs/dbraw/zinc/81/13/89/561811389.db2.gz	DYJSVMWNEYFCMD-OQOOGSQVSA-N	0	0	714.889	2.604	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCCC1=O)CCC(N)=O	ZINC000026667040	561811377	/nfs/dbraw/zinc/81/13/77/561811377.db2.gz	URXXZTHJCMIDIZ-CEVLXHJCSA-N	0	0	633.746	2.511	1	0		KFAFRN
CCCC[C@H](N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NC)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000026668265	561811622	/nfs/dbraw/zinc/81/16/22/561811622.db2.gz	UASBNVCJGQKXON-GSDHBNRESA-N	0	0	635.753	2.720	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3cccnc32)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026668969	561811909	/nfs/dbraw/zinc/81/19/09/561811909.db2.gz	AFVXCMZTRNKQLP-OQOOGSQVSA-N	0	0	714.889	2.604	1	0		KFAFRN
CC(=O)N1CC/C(=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O	ZINC000026671684	561812461	/nfs/dbraw/zinc/81/24/61/561812461.db2.gz	DHQJURIIOOBGLK-NYUCFNANSA-N	0	0	633.746	2.511	1	0		KFAFRN
COC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026671876	561812643	/nfs/dbraw/zinc/81/26/43/561812643.db2.gz	APVUQCOARNFBEK-JWBCENJPSA-N	0	0	580.682	2.535	1	0		KFAFRN
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1)N1CCOCC1	ZINC000026671902	561812674	/nfs/dbraw/zinc/81/26/74/561812674.db2.gz	ANIGPMUHHIUEKJ-DIIQFSBDSA-N	0	0	688.870	2.750	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026672218	561812784	/nfs/dbraw/zinc/81/27/84/561812784.db2.gz	QXTKBXXRNNCAPS-WGZZVLBSSA-N	0	0	624.735	2.933	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026672226	561812780	/nfs/dbraw/zinc/81/27/80/561812780.db2.gz	RGAWSWJGCZYEPY-XJKAXFCBSA-N	0	0	652.745	2.850	1	0		KFAFRN
COC(=O)/C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026672442	561812782	/nfs/dbraw/zinc/81/27/82/561812782.db2.gz	APVUQCOARNFBEK-BDYIZISRSA-N	0	0	580.682	2.535	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026673100	561812975	/nfs/dbraw/zinc/81/29/75/561812975.db2.gz	MRXUQNGNNWWMSK-NLFUWUDLSA-N	0	0	610.708	2.630	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	ZINC000026673104	561813001	/nfs/dbraw/zinc/81/30/01/561813001.db2.gz	FPZPTSVNMRDOBU-ZFRRLBKMSA-N	0	0	580.682	2.535	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026673147	561812960	/nfs/dbraw/zinc/81/29/60/561812960.db2.gz	MMJVDVQECXELPK-VEBVSIDSSA-N	0	0	594.709	2.795	1	0		KFAFRN
COC(=O)N1CC/C(=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O	ZINC000026673894	561813254	/nfs/dbraw/zinc/81/32/54/561813254.db2.gz	XQFYXWDFXMAVQP-YQXVJBJNSA-N	0	0	649.745	2.730	1	0		KFAFRN
CON1CC/C(=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O	ZINC000026673982	561813332	/nfs/dbraw/zinc/81/33/32/561813332.db2.gz	RQBGONXIVYDLMS-YQXVJBJNSA-N	0	0	621.735	2.525	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026674722	561813593	/nfs/dbraw/zinc/81/35/93/561813593.db2.gz	VCWCHBSHFBGVRP-SKAGEUDOSA-N	0	0	553.656	2.651	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000026675296	561813858	/nfs/dbraw/zinc/81/38/58/561813858.db2.gz	ZVGILEXTSAHKSA-KBIRPJCSSA-N	0	0	560.692	2.523	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](COC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026675553	561814092	/nfs/dbraw/zinc/81/40/92/561814092.db2.gz	NRMBHAVIUWKFDR-SKAGEUDOSA-N	0	0	596.681	2.754	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCOCC1	ZINC000026716152	561814242	/nfs/dbraw/zinc/81/42/42/561814242.db2.gz	BVKOLKJKMVRTSB-KQLGDFJMSA-N	0	0	654.849	2.682	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CN1CCOCC1	ZINC000026716156	561814171	/nfs/dbraw/zinc/81/41/71/561814171.db2.gz	BVKOLKJKMVRTSB-LIRVCHIBSA-N	0	0	654.849	2.682	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCCC1)CCC(N)=O	ZINC000026717141	561814290	/nfs/dbraw/zinc/81/42/90/561814290.db2.gz	LQFONWFDUFBGQT-JTZWRHFGSA-N	0	0	619.763	2.984	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N(C)Cc1ccccc1	ZINC000026717328	561814300	/nfs/dbraw/zinc/81/43/00/561814300.db2.gz	QWWZTBMHBSBGMQ-OEHSNOHSSA-N	0	0	607.752	2.840	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCCCO1)CCC(N)=O	ZINC000026717337	561814499	/nfs/dbraw/zinc/81/44/99/561814499.db2.gz	LTPQXDLMYSNFMX-JTZWRHFGSA-N	0	0	635.762	2.916	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCCO1)CCC(N)=O	ZINC000026717342	561814462	/nfs/dbraw/zinc/81/44/62/561814462.db2.gz	SCDSVMNJMUYJKQ-MZNYXOLUSA-N	0	0	621.735	2.525	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)O[C@@H]1CO[C@@H]2OCC[C@H]12	ZINC000026717416	561814468	/nfs/dbraw/zinc/81/44/68/561814468.db2.gz	OOHJDEZERJEPJL-IFBKBPKASA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)O[C@@H]1CO[C@H]2OCC[C@@H]21	ZINC000026717421	561814503	/nfs/dbraw/zinc/81/45/03/561814503.db2.gz	OOHJDEZERJEPJL-DEVHYLEDSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)O[C@@H]1CO[C@@H]2OCC[C@@H]12	ZINC000026717426	561814478	/nfs/dbraw/zinc/81/44/78/561814478.db2.gz	OOHJDEZERJEPJL-GBFQZMPZSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)O[C@@H]1CO[C@H]2OCC[C@H]21	ZINC000026717431	561814456	/nfs/dbraw/zinc/81/44/56/561814456.db2.gz	OOHJDEZERJEPJL-YHMPEFPESA-N	0	0	596.677	2.935	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C1\CCOC1=O)CCC(N)=O	ZINC000026717957	561814542	/nfs/dbraw/zinc/81/45/42/561814542.db2.gz	FVNQZTMREAILPY-BYOVJPANSA-N	0	0	592.693	2.679	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026721227	561815149	/nfs/dbraw/zinc/81/51/49/561815149.db2.gz	SZTIYVWWUKJFBY-CWLOZIPZSA-N	0	0	560.692	2.728	1	0		KFAFRN
COC(=O)CCCCCCCCOC(=O)/C=C/C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H]1O	ZINC000026721691	561815313	/nfs/dbraw/zinc/81/53/13/561815313.db2.gz	IMQSJGHLJLGFAM-SROHRSRFSA-N	0	0	562.081	2.501	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000026722063	561815332	/nfs/dbraw/zinc/81/53/32/561815332.db2.gz	DVBGBXXFPYXTFE-DEUOMTTOSA-N	0	0	600.738	2.986	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])CCC(N)=O	ZINC000026722091	561815454	/nfs/dbraw/zinc/81/54/54/561815454.db2.gz	OSGQRUSDCFSVHU-DOAZHDKUSA-N	0	0	567.643	2.596	1	0		KFAFRN
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCCN4CCOCC4)cc(=O)oc3c2C)OC1(C)C	ZINC000026723067	561815525	/nfs/dbraw/zinc/81/55/25/561815525.db2.gz	ZMSFRIPMEFSKFC-SQCBCDKRSA-N	0	0	586.638	2.564	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000026723886	561815712	/nfs/dbraw/zinc/81/57/12/561815712.db2.gz	OOHJDEZERJEPJL-KQBASLLLSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]21)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000026723895	561815727	/nfs/dbraw/zinc/81/57/27/561815727.db2.gz	OOHJDEZERJEPJL-LYTOMWDKSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000026723901	561815707	/nfs/dbraw/zinc/81/57/07/561815707.db2.gz	OOHJDEZERJEPJL-WPIFWEFJSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000026723909	561815699	/nfs/dbraw/zinc/81/56/99/561815699.db2.gz	OOHJDEZERJEPJL-ILGOZNRPSA-N	0	0	596.677	2.935	1	0		KFAFRN
CC(C)(C)NC(=O)[C@H]1CN(S(=O)(=O)c2cccs2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026725376	561815758	/nfs/dbraw/zinc/81/57/58/561815758.db2.gz	DUBLLIBPEZQWQP-RQNQWUOWSA-N	0	0	668.882	2.722	1	0		KFAFRN
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCCn4cncn4)cc(=O)oc3c2C)OC1(C)C	ZINC000026728213	561816285	/nfs/dbraw/zinc/81/62/85/561816285.db2.gz	UTRNKTFBVLJDOP-POHJQOBCSA-N	0	0	568.583	2.524	1	0		KFAFRN
COc1ccc2ccc(S(=O)(=O)N[C@@H](Cc3cc4c(ccnc4N)s3)C(=O)N3CCN(C)CC3)cc2c1	ZINC000026728370	561816327	/nfs/dbraw/zinc/81/63/27/561816327.db2.gz	RWCSWKZHOBWMGP-QHCPKHFHSA-N	0	0	539.683	2.704	1	0		KFAFRN
COc1ccc2ccc(S(=O)(=O)N[C@H](Cc3cc4c(ccnc4N)s3)C(=O)N3CCN(C)CC3)cc2c1	ZINC000026728376	561816322	/nfs/dbraw/zinc/81/63/22/561816322.db2.gz	RWCSWKZHOBWMGP-HSZRJFAPSA-N	0	0	539.683	2.704	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1	ZINC000026728517	561816325	/nfs/dbraw/zinc/81/63/25/561816325.db2.gz	FPEBBDFGIGGORA-JWBCENJPSA-N	0	0	612.749	2.632	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C	ZINC000026728522	561816461	/nfs/dbraw/zinc/81/64/61/561816461.db2.gz	KESKRWWHZBTNRJ-ROIKMKBVSA-N	0	0	594.709	2.925	1	0		KFAFRN
Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](N3C[C@@H](C=CBr)C(=O)NC3=O)C[C@@H]1O)OC2	ZINC000026729074	561816397	/nfs/dbraw/zinc/81/63/97/561816397.db2.gz	UDWOLYHOUMANKY-OSFAEKPHSA-N	0	0	517.269	2.581	1	0		KFAFRN
Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](N3C[C@@H](C=CBr)C(=O)NC3=O)C[C@@H]1O)OC2	ZINC000026729078	561816409	/nfs/dbraw/zinc/81/64/09/561816409.db2.gz	UDWOLYHOUMANKY-RBBZBVRYSA-N	0	0	517.269	2.581	1	0		KFAFRN
CN(C)c1ncnc2c1ncn2CCCCCNC(=O)OCCCCCn1cnc2c1ncnc2N(C)C	ZINC000026733485	561816971	/nfs/dbraw/zinc/81/69/71/561816971.db2.gz	NSYNCTHZWAKKLE-UHFFFAOYSA-N	0	0	523.646	2.865	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000026735729	561817345	/nfs/dbraw/zinc/81/73/45/561817345.db2.gz	OOHJDEZERJEPJL-HOMYHEPZSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000026736185	561817481	/nfs/dbraw/zinc/81/74/81/561817481.db2.gz	OOHJDEZERJEPJL-KPZULTRKSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12)O[C@H]1CO[C@H]2OCC[C@H]12	ZINC000026736190	561817479	/nfs/dbraw/zinc/81/74/79/561817479.db2.gz	OOHJDEZERJEPJL-GUJRNPJQSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12)O[C@H]1CO[C@@H]2OCC[C@@H]12	ZINC000026736194	561817510	/nfs/dbraw/zinc/81/75/10/561817510.db2.gz	OOHJDEZERJEPJL-AGLCJZAPSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12)O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC000026736200	561817471	/nfs/dbraw/zinc/81/74/71/561817471.db2.gz	OOHJDEZERJEPJL-TWVXQZPASA-N	0	0	596.677	2.935	1	0		KFAFRN
CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CN(C)CC2	ZINC000026738392	561817791	/nfs/dbraw/zinc/81/77/91/561817791.db2.gz	GGTXGRWUWSFTKQ-OAQYLSRUSA-N	0	0	562.117	2.541	1	0		KFAFRN
CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])cc3)CC2)ccc1O	ZINC000026738723	561817735	/nfs/dbraw/zinc/81/77/35/561817735.db2.gz	BNCCDXYOEGWOOI-YTMVLYRLSA-N	0	0	610.733	2.729	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1	ZINC000026738747	561817747	/nfs/dbraw/zinc/81/77/47/561817747.db2.gz	PRRYSNSLFNBYDL-IGBKUBFESA-N	0	0	565.674	2.560	1	0		KFAFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2C[C@@H](OC(C)=O)[C@@H](OC(C)=O)O2)c(OCc2ccc(Br)cc2)n1	ZINC000026741415	561818115	/nfs/dbraw/zinc/81/81/15/561818115.db2.gz	WZSUVJPVRZRZOO-WWMYMODYSA-N	0	0	548.350	2.866	1	0		KFAFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2C[C@H](OC(C)=O)[C@@H](OC(C)=O)O2)c(OCc2ccc(Br)cc2)n1	ZINC000026741425	561818098	/nfs/dbraw/zinc/81/80/98/561818098.db2.gz	WZSUVJPVRZRZOO-FIKGOQFSSA-N	0	0	548.350	2.866	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2ccc(Br)cc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1	ZINC000026743632	561818372	/nfs/dbraw/zinc/81/83/72/561818372.db2.gz	PVHVKUAYRDIWEG-UHFFFAOYSA-N	0	0	560.430	2.901	1	0		KFAFRN
CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CN(C)CC2	ZINC000026748637	561819199	/nfs/dbraw/zinc/81/91/99/561819199.db2.gz	QWXSOLJLDGVQNB-QFIPXVFZSA-N	0	0	576.144	2.978	1	0		KFAFRN
CC(C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CN(C)CC2	ZINC000026748642	561819228	/nfs/dbraw/zinc/81/92/28/561819228.db2.gz	QWXSOLJLDGVQNB-JOCHJYFZSA-N	0	0	576.144	2.978	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cncn1	ZINC000026750175	561819603	/nfs/dbraw/zinc/81/96/03/561819603.db2.gz	MIODFTJBPUEFFS-UHFFFAOYSA-N	0	0	527.006	2.649	1	0		KFAFRN
COc1c2c(c(-c3c4c(c(OC)c(Br)c3C(=O)NCCN3CC[NH2+]CC3)OCO4)c(C(=O)[O-])c1Br)OCO2	ZINC000026750190	561819632	/nfs/dbraw/zinc/81/96/32/561819632.db2.gz	BINUTMHKGWHCLL-UHFFFAOYSA-N	0	0	659.284	2.686	1	0		KFAFRN
COC(=O)C[C@@H](NC[C@@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc65)C(=O)NC4=O)cn(c32)C1)C(=O)OC	ZINC000026821680	561821225	/nfs/dbraw/zinc/82/12/25/561821225.db2.gz	QZOPKQLEQTWWNX-NPMXOYFQSA-N	0	0	558.566	2.696	1	0		KFAFRN
COC(=O)C[C@H](NC[C@@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc65)C(=O)NC4=O)cn(c32)C1)C(=O)OC	ZINC000026821685	561821204	/nfs/dbraw/zinc/82/12/04/561821204.db2.gz	QZOPKQLEQTWWNX-WNSKOXEYSA-N	0	0	558.566	2.696	1	0		KFAFRN
COC(=O)C[C@@H](NC[C@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc65)C(=O)NC4=O)cn(c32)C1)C(=O)OC	ZINC000026821690	561821177	/nfs/dbraw/zinc/82/11/77/561821177.db2.gz	QZOPKQLEQTWWNX-IQMFZBJNSA-N	0	0	558.566	2.696	1	0		KFAFRN
COC(=O)C[C@H](NC[C@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc65)C(=O)NC4=O)cn(c32)C1)C(=O)OC	ZINC000026821695	561821168	/nfs/dbraw/zinc/82/11/68/561821168.db2.gz	QZOPKQLEQTWWNX-CMJOXMDJSA-N	0	0	558.566	2.696	1	0		KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026824267	561821698	/nfs/dbraw/zinc/82/16/98/561821698.db2.gz	JAPYKPCIFHRZGF-JQFCFGFHSA-N	0	0	724.704	2.984	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026824273	561821747	/nfs/dbraw/zinc/82/17/47/561821747.db2.gz	JAPYKPCIFHRZGF-XFLCUIDGSA-N	0	0	724.704	2.984	1	0		KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1c(F)cccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026824821	561821724	/nfs/dbraw/zinc/82/17/24/561821724.db2.gz	YHWGARGFNUGEHK-JQFCFGFHSA-N	0	0	724.704	2.984	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1c(F)cccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026824827	561821761	/nfs/dbraw/zinc/82/17/61/561821761.db2.gz	YHWGARGFNUGEHK-XFLCUIDGSA-N	0	0	724.704	2.984	1	0		KFAFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)S(=O)(=O)c4cccs4)cc2cc1C3	ZINC000026825636	561821863	/nfs/dbraw/zinc/82/18/63/561821863.db2.gz	LFVXKZQDADINDE-MHZLTWQESA-N	0	0	581.628	2.703	1	0		KFAFRN
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)S(=O)(=O)c4cccs4)cc2cc1C3	ZINC000026825641	561821869	/nfs/dbraw/zinc/82/18/69/561821869.db2.gz	LFVXKZQDADINDE-HHHXNRCGSA-N	0	0	581.628	2.703	1	0		KFAFRN
Cc1nc(C[C@H](C)[C@@H](O)C[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O)cs1	ZINC000026827504	561822225	/nfs/dbraw/zinc/82/22/25/561822225.db2.gz	ZMFFIWFXNIBGSY-KMRQNTAFSA-N	0	0	513.697	2.817	1	0		KFAFRN
Cc1nc(C[C@@H](C)[C@@H](O)C[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O)cs1	ZINC000026827508	561822213	/nfs/dbraw/zinc/82/22/13/561822213.db2.gz	ZMFFIWFXNIBGSY-KJDOUKLBSA-N	0	0	513.697	2.817	1	0		KFAFRN
Cc1nc(C[C@H](C)[C@H](O)C[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O)cs1	ZINC000026827512	561822241	/nfs/dbraw/zinc/82/22/41/561822241.db2.gz	ZMFFIWFXNIBGSY-RTSWEBCQSA-N	0	0	513.697	2.817	1	0		KFAFRN
Cc1nc(C[C@@H](C)[C@H](O)C[C@H]2OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@H]2O)cs1	ZINC000026827517	561822266	/nfs/dbraw/zinc/82/22/66/561822266.db2.gz	ZMFFIWFXNIBGSY-YCEHVFSUSA-N	0	0	513.697	2.817	1	0		KFAFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)/C=C/c4ccco4)cc2cc1C3	ZINC000026829372	561822663	/nfs/dbraw/zinc/82/26/63/561822663.db2.gz	BRZNZHYZJBNTGZ-XVMIVPATSA-N	0	0	527.533	2.881	1	0		KFAFRN
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)/C=C/c4ccco4)cc2cc1C3	ZINC000026829377	561822577	/nfs/dbraw/zinc/82/25/77/561822577.db2.gz	BRZNZHYZJBNTGZ-QFCLSUNKSA-N	0	0	527.533	2.881	1	0		KFAFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)c4cccs4)cc2cc1C3	ZINC000026829382	561822623	/nfs/dbraw/zinc/82/26/23/561822623.db2.gz	XFPMPYSUYYVBHE-MHZLTWQESA-N	0	0	517.563	2.950	1	0		KFAFRN
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)c4cccs4)cc2cc1C3	ZINC000026829387	561822584	/nfs/dbraw/zinc/82/25/84/561822584.db2.gz	XFPMPYSUYYVBHE-HHHXNRCGSA-N	0	0	517.563	2.950	1	0		KFAFRN
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1ccc(O)cc1)C(C)C)C(=O)[O-]	ZINC000026829489	561822625	/nfs/dbraw/zinc/82/26/25/561822625.db2.gz	UQRQADCFPLBNTG-VABKMULXSA-N	0	0	501.649	2.556	1	0		KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)c(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026829493	561822637	/nfs/dbraw/zinc/82/26/37/561822637.db2.gz	LQOYTFWXDYWAEL-JQFCFGFHSA-N	0	0	724.704	2.984	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)c(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026829498	561822739	/nfs/dbraw/zinc/82/27/39/561822739.db2.gz	LQOYTFWXDYWAEL-XFLCUIDGSA-N	0	0	724.704	2.984	1	0		KFAFRN
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1cccc(O)c1)C(C)C)C(=O)[O-]	ZINC000026832821	561823337	/nfs/dbraw/zinc/82/33/37/561823337.db2.gz	HSNJAPHNUSYJGH-VABKMULXSA-N	0	0	501.649	2.556	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026833118	561823426	/nfs/dbraw/zinc/82/34/26/561823426.db2.gz	FJIRQAXCBOCEQN-FEKPCOSRSA-N	0	0	724.704	2.984	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1	ZINC000026834800	561824016	/nfs/dbraw/zinc/82/40/16/561824016.db2.gz	OWCCZVZPRSKALT-RHAMUZCRSA-N	0	0	723.871	2.978	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026835459	561824198	/nfs/dbraw/zinc/82/41/98/561824198.db2.gz	MHRYDJWKKUNWJY-XFLCUIDGSA-N	0	0	724.704	2.984	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026835463	561824280	/nfs/dbraw/zinc/82/42/80/561824280.db2.gz	YVNITSOLRPDTNX-XFLCUIDGSA-N	0	0	724.704	2.984	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026837144	561824812	/nfs/dbraw/zinc/82/48/12/561824812.db2.gz	FSNSRNCFARXZOP-XFLCUIDGSA-N	0	0	688.724	2.706	1	0		KFAFRN
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026838072	561824949	/nfs/dbraw/zinc/82/49/49/561824949.db2.gz	PVAYDHDASDVWCK-JQFCFGFHSA-N	0	0	688.724	2.706	1	0		KFAFRN
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000026838077	561824858	/nfs/dbraw/zinc/82/48/58/561824858.db2.gz	PVAYDHDASDVWCK-XFLCUIDGSA-N	0	0	688.724	2.706	1	0		KFAFRN
CCOC(=O)N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)N2CCC(OCC(=O)OC(C)C)CC2)cc1	ZINC000026838256	561825022	/nfs/dbraw/zinc/82/50/22/561825022.db2.gz	BIGZYTUFFUUZFA-MHZLTWQESA-N	0	0	624.691	2.984	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccc(NC(C)=O)cc4)CC3)c(F)c2)C(=O)O1	ZINC000026842833	561826100	/nfs/dbraw/zinc/82/61/00/561826100.db2.gz	CTTGVVAROCSGSM-CRAXIPPQSA-N	0	0	523.565	2.607	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1(NC(=O)[C@H](SC(C)=O)C(C)C)CCCC1	ZINC000026845339	561826385	/nfs/dbraw/zinc/82/63/85/561826385.db2.gz	KCQZPYXGXQDTJE-FCHUYYIVSA-N	0	0	520.648	2.936	1	0		KFAFRN
CCN(CC)C(=O)COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(NC(=O)[C@H](SC(C)=O)C(C)C)CCCC1	ZINC000026847071	561826641	/nfs/dbraw/zinc/82/66/41/561826641.db2.gz	HCQWJUBBOJBFMD-UKILVPOCSA-N	0	0	577.744	2.867	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/c4ccc(F)c(F)c4)CC3)c(F)c2)C(=O)O1	ZINC000026848953	561827048	/nfs/dbraw/zinc/82/70/48/561827048.db2.gz	UYABEYKIBKUYRI-CZXUKVBWSA-N	0	0	502.493	2.927	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(NC(=O)[C@H](SC(=O)COC)C(C)C)CCCC1	ZINC000026849723	561827046	/nfs/dbraw/zinc/82/70/46/561827046.db2.gz	NVCBJQDZWVSXDI-RBBKRZOGSA-N	0	0	522.664	2.645	1	0		KFAFRN
CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)c1cccnc1)C(C)C	ZINC000026851120	561827276	/nfs/dbraw/zinc/82/72/76/561827276.db2.gz	KWKVQVNVSNNOHO-HJOGWXRNSA-N	0	0	601.651	2.961	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccc(OC(=O)COC)cc1)NC(=O)C1(NC(=O)[C@H](SC(C)=O)C(C)C)CCCC1	ZINC000026934925	561827347	/nfs/dbraw/zinc/82/73/47/561827347.db2.gz	QATQRRJCYLAWKH-JTHBVZDNSA-N	0	0	550.674	2.562	1	0		KFAFRN
CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(=O)NCc1ccccn1)C(C)C	ZINC000026936850	561827539	/nfs/dbraw/zinc/82/75/39/561827539.db2.gz	YYIOBZRFDIGWAZ-HJOGWXRNSA-N	0	0	601.651	2.847	1	0		KFAFRN
CCOC(=O)CC(=O)Oc1ccc(C[C@H](NC(=O)C2(NC(=O)[C@H](SC(C)=O)C(C)C)CCCC2)C(=O)OCC)cc1	ZINC000026940194	561828097	/nfs/dbraw/zinc/82/80/97/561828097.db2.gz	ISEAKLZLSWXZBJ-WIOPSUGQSA-N	0	0	592.711	2.869	1	0		KFAFRN
CCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(NC(=O)[C@H](SC(=O)CN2CCOCC2)C(C)C)CCCC1	ZINC000026942325	561828181	/nfs/dbraw/zinc/82/81/81/561828181.db2.gz	POQDFHFNUTVTRE-AZGAKELHSA-N	0	0	591.771	2.808	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C	ZINC000026943987	561828351	/nfs/dbraw/zinc/82/83/51/561828351.db2.gz	UVVWRPAAOYSGTI-MJSOWUPRSA-N	0	0	669.779	2.979	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C	ZINC000026943994	561828353	/nfs/dbraw/zinc/82/83/53/561828353.db2.gz	UVVWRPAAOYSGTI-AYQJTBPPSA-N	0	0	669.779	2.979	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(N)=O	ZINC000026945115	561828402	/nfs/dbraw/zinc/82/84/02/561828402.db2.gz	WYNJUBWWJGPSLO-OLUZHXLYSA-N	0	0	696.805	2.862	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(N)=O	ZINC000026945127	561828422	/nfs/dbraw/zinc/82/84/22/561828422.db2.gz	WYNJUBWWJGPSLO-YPKYBTACSA-N	0	0	696.805	2.862	1	0		KFAFRN
COC(=O)[C@H]1O[C@@H](Oc2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000026946600	561828547	/nfs/dbraw/zinc/82/85/47/561828547.db2.gz	BUGVKBXWQCGVBK-PNIAKCBFSA-N	0	0	599.583	2.542	1	0		KFAFRN
CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1	ZINC000026952262	561828945	/nfs/dbraw/zinc/82/89/45/561828945.db2.gz	VNHNXKXTQOBQID-SLGZMBILSA-N	0	0	661.763	2.564	1	0		KFAFRN
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1	ZINC000026952272	561828980	/nfs/dbraw/zinc/82/89/80/561828980.db2.gz	VNHNXKXTQOBQID-CEUYOYMZSA-N	0	0	661.763	2.564	1	0		KFAFRN
Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1cc(COCCOCCOCCO)no1	ZINC000026952300	561828943	/nfs/dbraw/zinc/82/89/43/561828943.db2.gz	MVEWJFHUEZERFM-UHFFFAOYSA-N	0	0	503.600	2.816	1	0		KFAFRN
CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)CCOC	ZINC000026956482	561829188	/nfs/dbraw/zinc/82/91/88/561829188.db2.gz	QBRVNHPTUVFDIT-RCXJIHSJSA-N	0	0	548.658	2.953	1	0		KFAFRN
O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3cc-2[nH]1	ZINC000026958248	561829337	/nfs/dbraw/zinc/82/93/37/561829337.db2.gz	YSTKKUGEIQTKPZ-UHFFFAOYSA-N	0	0	516.023	2.974	1	0		KFAFRN
CC(C)c1cccc2c1C(=O)N(COc1ccc(S(=O)(=O)N3CCOCC3)cc1Cl)S2(=O)=O	ZINC000026962058	561829613	/nfs/dbraw/zinc/82/96/13/561829613.db2.gz	WVTHXUHWJOTISQ-UHFFFAOYSA-N	0	0	515.009	2.665	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1	ZINC000026962141	561829706	/nfs/dbraw/zinc/82/97/06/561829706.db2.gz	MZQZJZKJAMRPKS-OAHLLOKOSA-N	0	0	540.042	2.604	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1	ZINC000026962150	561829622	/nfs/dbraw/zinc/82/96/22/561829622.db2.gz	MZQZJZKJAMRPKS-HNNXBMFYSA-N	0	0	540.042	2.604	1	0		KFAFRN
O=c1[nH]c2c(s1)c(CC[NH2+]CCCS(=O)(=O)NCCOCCc1cccc(Cl)c1)ccc2[O-]	ZINC000026962448	561829699	/nfs/dbraw/zinc/82/96/99/561829699.db2.gz	MTHQDAGFQRXREH-UHFFFAOYSA-N	0	0	514.069	2.650	1	0		KFAFRN
NC(=[NH2+])N1CCC[C@@H](C[C@H]2C(=O)N(C(=O)N3CCN(C(=O)CCCCCC4CCCCC4)CC3)[C@@H]2C(=O)[O-])C1	ZINC000026963727	561829779	/nfs/dbraw/zinc/82/97/79/561829779.db2.gz	OUFUAGQUIQUBPV-ZDXQCDESSA-N	0	0	546.713	2.689	1	0		KFAFRN
NC(=[NH2+])N1CCC[C@H](C[C@H]2C(=O)N(C(=O)N3CCN(C(=O)CCCCCC4CCCCC4)CC3)[C@@H]2C(=O)[O-])C1	ZINC000026963730	561829776	/nfs/dbraw/zinc/82/97/76/561829776.db2.gz	OUFUAGQUIQUBPV-AKFKNWHVSA-N	0	0	546.713	2.689	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)NC[C@@H]1CCc2n[nH]cc2C1	ZINC000026965824	561829929	/nfs/dbraw/zinc/82/99/29/561829929.db2.gz	CWCUKZJXXQRFRJ-MRXNPFEDSA-N	0	0	537.564	2.762	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)NC[C@H]1CCc2n[nH]cc2C1	ZINC000026965836	561829986	/nfs/dbraw/zinc/82/99/86/561829986.db2.gz	CWCUKZJXXQRFRJ-INIZCTEOSA-N	0	0	537.564	2.762	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC[C@@H]1CCc2n[nH]cc2C1	ZINC000026967759	561830198	/nfs/dbraw/zinc/83/01/98/561830198.db2.gz	BFDRDHUDXFZPSA-OAHLLOKOSA-N	0	0	522.002	2.536	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC[C@H]1CCc2n[nH]cc2C1	ZINC000026967769	561830179	/nfs/dbraw/zinc/83/01/79/561830179.db2.gz	BFDRDHUDXFZPSA-HNNXBMFYSA-N	0	0	522.002	2.536	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1	ZINC000026970605	561830301	/nfs/dbraw/zinc/83/03/01/561830301.db2.gz	KCNWNYRUTNLCMS-RWSKJCERSA-N	0	0	696.805	2.910	1	0		KFAFRN
CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCN1C(=O)CCC1=O	ZINC000026974544	561830833	/nfs/dbraw/zinc/83/08/33/561830833.db2.gz	BRSOPSHDSYSPIO-PBDKAQRYSA-N	0	0	529.634	2.852	1	0		KFAFRN
CC(C)(C)N1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)[NH3+])C[C@@]2(Cc2ccccc2)C1=O	ZINC000026975546	561830847	/nfs/dbraw/zinc/83/08/47/561830847.db2.gz	FUXJRKMHGRUXHB-WBBHLRKXSA-N	0	0	547.700	2.883	1	0		KFAFRN
CC(C)(C)N1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)[NH3+])C[C@]2(Cc2ccccc2)C1=O	ZINC000026975553	561830801	/nfs/dbraw/zinc/83/08/01/561830801.db2.gz	FUXJRKMHGRUXHB-XJFCNFDWSA-N	0	0	547.700	2.883	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1	ZINC000026976762	561830914	/nfs/dbraw/zinc/83/09/14/561830914.db2.gz	VTYFRTLPEJNIRF-MRXNPFEDSA-N	0	0	555.604	2.830	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1	ZINC000026976772	561830912	/nfs/dbraw/zinc/83/09/12/561830912.db2.gz	VTYFRTLPEJNIRF-INIZCTEOSA-N	0	0	555.604	2.830	1	0		KFAFRN
CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)NCc2cc[n+]([O-])cc2)ccc1-c1ccccc1)C(=O)C(F)(F)F	ZINC000026982790	561831443	/nfs/dbraw/zinc/83/14/43/561831443.db2.gz	RITPSRDWCQZOCG-JOCHJYFZSA-N	0	0	545.518	2.743	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)NCc2cc[n+]([O-])cc2)ccc1-c1ccccc1)C(=O)C(F)(F)F	ZINC000026982798	561831473	/nfs/dbraw/zinc/83/14/73/561831473.db2.gz	RITPSRDWCQZOCG-QFIPXVFZSA-N	0	0	545.518	2.743	1	0		KFAFRN
CC(C)CN(C[C@H](O)[C@H](NC(=O)O[C@@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000026984333	561831628	/nfs/dbraw/zinc/83/16/28/561831628.db2.gz	UQLIOXPUOMTMBL-WTIAFYNJSA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)NCc2ccc[n+]([O-])c2)ccc1-c1ccccc1)C(=O)C(F)(F)F	ZINC000026985012	561831729	/nfs/dbraw/zinc/83/17/29/561831729.db2.gz	TWQLKZBGMZYROY-JOCHJYFZSA-N	0	0	545.518	2.743	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)NCc2ccc[n+]([O-])c2)ccc1-c1ccccc1)C(=O)C(F)(F)F	ZINC000026985021	561831682	/nfs/dbraw/zinc/83/16/82/561831682.db2.gz	TWQLKZBGMZYROY-QFIPXVFZSA-N	0	0	545.518	2.743	1	0		KFAFRN
CC(C)([NH3+])C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@@]2(Cc2ccccc2)C1	ZINC000026985565	561831859	/nfs/dbraw/zinc/83/18/59/561831859.db2.gz	QJVRZQBATRSHII-DFHRPNOPSA-N	0	0	609.596	2.925	1	0		KFAFRN
CC(C)([NH3+])C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccc2)C1	ZINC000026985573	561831865	/nfs/dbraw/zinc/83/18/65/561831865.db2.gz	QJVRZQBATRSHII-SKCUWOTOSA-N	0	0	609.596	2.925	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2cccc(c2)OCCOCCNC(=O)[C@H](C(C)C)NC1=O	ZINC000026991907	561832588	/nfs/dbraw/zinc/83/25/88/561832588.db2.gz	QCOTVEZNURNOOS-YQYWCZHNSA-N	0	0	731.891	2.850	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCOCCNC(=O)[C@H](C(C)C)NC1=O	ZINC000026997767	561833536	/nfs/dbraw/zinc/83/35/36/561833536.db2.gz	FIQBSLXLTLJIQG-YQYWCZHNSA-N	0	0	731.891	2.850	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](NC(=O)O[C@@H]1CCOC1)Sc1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000027073365	561833890	/nfs/dbraw/zinc/83/38/90/561833890.db2.gz	UQLIOXPUOMTMBL-UEVCKROQSA-N	0	0	523.677	2.910	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3c(c2)CCO3)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000027081577	561835113	/nfs/dbraw/zinc/83/51/13/561835113.db2.gz	CFGOUUWGBUPZCL-PPJSLLJVSA-N	0	0	655.840	2.802	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)c(F)c2)CN1	ZINC000027083654	561835609	/nfs/dbraw/zinc/83/56/09/561835609.db2.gz	PQFMPWGVKWEHRQ-MGONOCMRSA-N	0	0	601.654	2.838	1	0		KFAFRN
O=C1CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1	ZINC000027083660	561835586	/nfs/dbraw/zinc/83/55/86/561835586.db2.gz	PYDMJPPYNOEKHO-ULNSLHSMSA-N	0	0	565.674	2.560	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000027083720	561835579	/nfs/dbraw/zinc/83/55/79/561835579.db2.gz	HFEQKONSPKYSGC-PXQQMZJSSA-N	0	0	613.803	2.867	1	0		KFAFRN
COc1ncccc1CN1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1	ZINC000027085821	561836290	/nfs/dbraw/zinc/83/62/90/561836290.db2.gz	NMHZNRIVIFPIMI-PXQQMZJSSA-N	0	0	643.829	2.876	1	0		KFAFRN
Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)c(C)s1	ZINC000027086120	561836251	/nfs/dbraw/zinc/83/62/51/561836251.db2.gz	AZMMWXVEVKAJAZ-VGWIIAMSSA-N	0	0	697.924	2.734	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](C[C@@H]2CNc3ccc(F)cc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1	ZINC000027087183	561836627	/nfs/dbraw/zinc/83/66/27/561836627.db2.gz	QMFFWUGEXXZGMI-YLMAEMGQSA-N	0	0	585.680	2.575	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](C[C@H]2CNc3ccc(F)cc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1	ZINC000027087188	561836682	/nfs/dbraw/zinc/83/66/82/561836682.db2.gz	QMFFWUGEXXZGMI-MDPQSHMSSA-N	0	0	585.680	2.575	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000027088964	561836939	/nfs/dbraw/zinc/83/69/39/561836939.db2.gz	GQXDRKLTUINFRX-JTHSFVIWSA-N	0	0	636.834	2.613	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000027089408	561836933	/nfs/dbraw/zinc/83/69/33/561836933.db2.gz	ZNCSVOJXHWNLGG-VGNPQVDOSA-N	0	0	735.923	2.579	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)OC	ZINC000027090606	561837156	/nfs/dbraw/zinc/83/71/56/561837156.db2.gz	KSYFYNLHMBWXBE-SYAJIYQZSA-N	0	0	620.735	2.726	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)OC	ZINC000027090612	561837179	/nfs/dbraw/zinc/83/71/79/561837179.db2.gz	KSYFYNLHMBWXBE-SXYSDOLCSA-N	0	0	620.735	2.726	1	0		KFAFRN
O=C1C[C@@H](C[C@H]2C=CC=CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1	ZINC000027091499	561837283	/nfs/dbraw/zinc/83/72/83/561837283.db2.gz	YOCGNPYHXNLXOS-WVSYNNJTSA-N	0	0	567.690	2.697	1	0		KFAFRN
O=C1C[C@H](C[C@H]2C=CC=CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1	ZINC000027091505	561837228	/nfs/dbraw/zinc/83/72/28/561837228.db2.gz	YOCGNPYHXNLXOS-SKDJMQSMSA-N	0	0	567.690	2.697	1	0		KFAFRN
O=C1C[C@@H](C[C@@H]2C=CC=CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1	ZINC000027091510	561837292	/nfs/dbraw/zinc/83/72/92/561837292.db2.gz	YOCGNPYHXNLXOS-BXJOXRRUSA-N	0	0	567.690	2.697	1	0		KFAFRN
O=C1C[C@H](C[C@@H]2C=CC=CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1	ZINC000027091515	561837262	/nfs/dbraw/zinc/83/72/62/561837262.db2.gz	YOCGNPYHXNLXOS-TVFROPFISA-N	0	0	567.690	2.697	1	0		KFAFRN
COc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC3=CC=CCC3)C(=O)N2)cc1	ZINC000027092044	561837427	/nfs/dbraw/zinc/83/74/27/561837427.db2.gz	WPKVMSBZXIKZQA-CPESWEKQSA-N	0	0	597.716	2.993	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000027097866	561838263	/nfs/dbraw/zinc/83/82/63/561838263.db2.gz	HOSBXUPDQKHHFQ-UGNXYXNMSA-N	0	0	638.806	2.669	1	0		KFAFRN
COc1cccc(C(=O)O[C@H]2C=CC(=O)N3C[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@H]23)c1	ZINC000027099882	561838497	/nfs/dbraw/zinc/83/84/97/561838497.db2.gz	HOMTUYSWHVRGFX-QMDPOKHVSA-N	0	0	544.601	2.524	1	0		KFAFRN
CC(C)[C@H](NC(=O)N(C)Cc1cncs1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cncs2)C[C@H]1C(=O)NC(C)(C)C	ZINC000027102781	561839302	/nfs/dbraw/zinc/83/93/02/561839302.db2.gz	NKWHEVVBYAUGES-ZXYZSCNASA-N	0	0	698.960	2.955	1	0		KFAFRN
CC(C)[C@@H](NC(=O)N(C)Cc1cncs1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cncs2)C[C@H]1C(=O)NC(C)(C)C	ZINC000027102797	561839250	/nfs/dbraw/zinc/83/92/50/561839250.db2.gz	NKWHEVVBYAUGES-VZNYXHRGSA-N	0	0	698.960	2.955	1	0		KFAFRN
COc1cccc(C(=O)O[C@H]2C=CC(=O)N3C[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@H]23)c1	ZINC000027102876	561839282	/nfs/dbraw/zinc/83/92/82/561839282.db2.gz	ZYOYTQBZOAQTGX-QMDPOKHVSA-N	0	0	546.617	2.603	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027103121	561839283	/nfs/dbraw/zinc/83/92/83/561839283.db2.gz	QVUFMRPLQGUWEW-FYYOVZQQSA-N	0	0	634.778	2.852	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C(=O)N(C(C)C)N(C)C1=O	ZINC000027103686	561839451	/nfs/dbraw/zinc/83/94/51/561839451.db2.gz	IMMKLMCETILXOA-GOTSBHOMSA-N	0	0	500.546	2.743	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1c2ccccc2C(=O)N(C(C)C)N(C)C1=O	ZINC000027103690	561839416	/nfs/dbraw/zinc/83/94/16/561839416.db2.gz	IMMKLMCETILXOA-XZOQPEGZSA-N	0	0	500.546	2.743	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000027105800	561840159	/nfs/dbraw/zinc/84/01/59/561840159.db2.gz	LYIIDLVZEINSJV-MALNDZBISA-N	0	0	530.666	2.868	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000027105803	561840197	/nfs/dbraw/zinc/84/01/97/561840197.db2.gz	LYIIDLVZEINSJV-UDIDDNNKSA-N	0	0	530.666	2.868	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000027105806	561840161	/nfs/dbraw/zinc/84/01/61/561840161.db2.gz	LYIIDLVZEINSJV-IZBOUPIGSA-N	0	0	530.666	2.868	1	0		KFAFRN
CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000027105809	561840207	/nfs/dbraw/zinc/84/02/07/561840207.db2.gz	LYIIDLVZEINSJV-SNJCGAMXSA-N	0	0	530.666	2.868	1	0		KFAFRN
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc32)CCCCC1	ZINC000027106177	561840179	/nfs/dbraw/zinc/84/01/79/561840179.db2.gz	WOSWFZJSUXFRDV-KYJUHHDHSA-N	0	0	629.758	2.521	1	0		KFAFRN
COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000027108400	561840709	/nfs/dbraw/zinc/84/07/09/561840709.db2.gz	BYFWUSSAVWEOTB-OZXSUGGESA-N	0	0	543.598	2.648	1	0		KFAFRN
O=C(CN1CCSCC1)Nc1nc2cc3nc(NC(=O)CN4CCSCC4)sc3cc2s1	ZINC000027179018	561841458	/nfs/dbraw/zinc/84/14/58/561841458.db2.gz	JGFAAIWNCWVZJE-UHFFFAOYSA-N	0	0	508.720	2.881	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2ccncc2NS(N)(=O)=O)CC2CCCC2)cc1	ZINC000027189074	561843153	/nfs/dbraw/zinc/84/31/53/561843153.db2.gz	DEBDNXVODIGZKE-MHZLTWQESA-N	0	0	659.831	2.561	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2cncc(NS(N)(=O)=O)c2)CC2CCCC2)cc1	ZINC000027190602	561843376	/nfs/dbraw/zinc/84/33/76/561843376.db2.gz	CYCPKNIMVMVBKH-NDEPHWFRSA-N	0	0	659.831	2.561	1	0		KFAFRN
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21	ZINC000027207463	561846205	/nfs/dbraw/zinc/84/62/05/561846205.db2.gz	USFVHFFEUZVHCE-RAVGUYNFSA-N	0	0	565.630	2.874	1	0		KFAFRN
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21	ZINC000027207467	561846190	/nfs/dbraw/zinc/84/61/90/561846190.db2.gz	USFVHFFEUZVHCE-NFGXINMFSA-N	0	0	565.630	2.874	1	0		KFAFRN
CN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O	ZINC000027207765	561846299	/nfs/dbraw/zinc/84/62/99/561846299.db2.gz	LYGQYNYQKUZRDU-KAYWLYCHSA-N	0	0	610.180	2.826	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000027209250	561846685	/nfs/dbraw/zinc/84/66/85/561846685.db2.gz	ZMEZVEKRVHZMJM-UWNKZCSISA-N	0	0	712.796	2.680	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O	ZINC000027210300	561847076	/nfs/dbraw/zinc/84/70/76/561847076.db2.gz	RWNYUMYDMQYQNX-MVVJZGTDSA-N	0	0	617.740	2.694	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O	ZINC000027210304	561847054	/nfs/dbraw/zinc/84/70/54/561847054.db2.gz	RWNYUMYDMQYQNX-AGBXIKQOSA-N	0	0	617.740	2.694	1	0		KFAFRN
CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1	ZINC000027210676	561847192	/nfs/dbraw/zinc/84/71/92/561847192.db2.gz	DOQXGQVRPIRXJG-KAYWLYCHSA-N	0	0	596.153	2.802	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O	ZINC000027210835	561847212	/nfs/dbraw/zinc/84/72/12/561847212.db2.gz	MAVHIIBMOVIQQB-MVVJZGTDSA-N	0	0	617.740	2.694	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O	ZINC000027210838	561847222	/nfs/dbraw/zinc/84/72/22/561847222.db2.gz	MAVHIIBMOVIQQB-ZJMAKVHZSA-N	0	0	617.740	2.694	1	0		KFAFRN
COc1cc2c(cc1OCCn1cnnn1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1	ZINC000027212152	561847427	/nfs/dbraw/zinc/84/74/27/561847427.db2.gz	IJYHNMHUUUNBOH-UHFFFAOYSA-N	0	0	533.593	2.845	1	0		KFAFRN
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	ZINC000027212966	561847562	/nfs/dbraw/zinc/84/75/62/561847562.db2.gz	VNTUHAICYLFGRV-KKUQBAQOSA-N	0	0	563.655	2.679	1	0		KFAFRN
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	ZINC000027212970	561847538	/nfs/dbraw/zinc/84/75/38/561847538.db2.gz	VNTUHAICYLFGRV-GSDHBNRESA-N	0	0	563.655	2.679	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027213872	561847759	/nfs/dbraw/zinc/84/77/59/561847759.db2.gz	UYEINCMPFLLQAN-UEOMBKFZSA-N	0	0	524.747	2.967	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027213880	561847779	/nfs/dbraw/zinc/84/77/79/561847779.db2.gz	UYEINCMPFLLQAN-KXEAFHOWSA-N	0	0	524.747	2.967	1	0		KFAFRN
CC(C)CCNC(=O)[C@@H](C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027214359	561847913	/nfs/dbraw/zinc/84/79/13/561847913.db2.gz	YLXNWTASFYBWMR-KXEAFHOWSA-N	0	0	512.736	2.512	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027214363	561847926	/nfs/dbraw/zinc/84/79/26/561847926.db2.gz	YLXNWTASFYBWMR-UEOMBKFZSA-N	0	0	512.736	2.512	1	0		KFAFRN
CC(C)CCNC(=O)[C@@H](C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000027214366	561847909	/nfs/dbraw/zinc/84/79/09/561847909.db2.gz	YLXNWTASFYBWMR-HXKBJWFLSA-N	0	0	512.736	2.512	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000027214370	561847910	/nfs/dbraw/zinc/84/79/10/561847910.db2.gz	YLXNWTASFYBWMR-DEJKCJRPSA-N	0	0	512.736	2.512	1	0		KFAFRN
COc1cc2c(cc1OCCn1ncnn1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1	ZINC000027214857	561848074	/nfs/dbraw/zinc/84/80/74/561848074.db2.gz	LQCXSHKSDRJXNC-UHFFFAOYSA-N	0	0	533.593	2.845	1	0		KFAFRN
O=C([O-])[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1[nH]cc[nH+]1)CC2)S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000027214949	561848146	/nfs/dbraw/zinc/84/81/46/561848146.db2.gz	PMAJLXGMRNEKIX-YBEBCVOYSA-N	0	0	558.444	2.877	1	0		KFAFRN
COc1cc2c(cc1OCCN1CCS(=O)(=O)CC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1	ZINC000027215216	561848157	/nfs/dbraw/zinc/84/81/57/561848157.db2.gz	OYRLHMGUQQVGPI-UHFFFAOYSA-N	0	0	598.726	2.889	1	0		KFAFRN
COC(=O)C(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1	ZINC000027216316	561848373	/nfs/dbraw/zinc/84/83/73/561848373.db2.gz	FAJFDKWWEPJNCA-KAYWLYCHSA-N	0	0	604.107	2.542	1	0		KFAFRN
CC(C)CCNC(=O)[C@@H](C)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027300497	561849035	/nfs/dbraw/zinc/84/90/35/561849035.db2.gz	MLRCOFFNFWUZQM-CZSZKKDXSA-N	0	0	510.720	2.721	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027300503	561848969	/nfs/dbraw/zinc/84/89/69/561848969.db2.gz	MLRCOFFNFWUZQM-WATLYSKOSA-N	0	0	510.720	2.721	1	0		KFAFRN
CC(C)CCNC(=O)[C@@H](C)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000027300509	561849031	/nfs/dbraw/zinc/84/90/31/561849031.db2.gz	MLRCOFFNFWUZQM-TYBLODHISA-N	0	0	510.720	2.721	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)CCC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000027300515	561848994	/nfs/dbraw/zinc/84/89/94/561848994.db2.gz	MLRCOFFNFWUZQM-STWLZBDKSA-N	0	0	510.720	2.721	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027302109	561849258	/nfs/dbraw/zinc/84/92/58/561849258.db2.gz	BVVWGXDGTPSQDK-AQBORDMYSA-N	0	0	526.763	2.758	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000027302122	561849203	/nfs/dbraw/zinc/84/92/03/561849203.db2.gz	BVVWGXDGTPSQDK-FCRIMTMASA-N	0	0	526.763	2.758	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O	ZINC000027302493	561849229	/nfs/dbraw/zinc/84/92/29/561849229.db2.gz	MPUGMRKHMBWWSJ-JYQBIQBTSA-N	0	0	728.935	2.937	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C1=O	ZINC000027303800	561849269	/nfs/dbraw/zinc/84/92/69/561849269.db2.gz	HNVLBLIDXMRHHS-UBALQFROSA-N	0	0	726.919	2.691	1	0		KFAFRN
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	ZINC000027304323	561849392	/nfs/dbraw/zinc/84/93/92/561849392.db2.gz	XDEHEOJXVCZJQD-YTCPBCGMSA-N	0	0	597.672	2.875	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	ZINC000027304329	561849404	/nfs/dbraw/zinc/84/94/04/561849404.db2.gz	XDEHEOJXVCZJQD-AWCRTANDSA-N	0	0	597.672	2.875	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccco4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027305040	561849500	/nfs/dbraw/zinc/84/95/00/561849500.db2.gz	RYQFRBWYXVYRRQ-UHFFFAOYSA-N	0	0	547.616	2.529	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C1=O	ZINC000027305101	561849511	/nfs/dbraw/zinc/84/95/11/561849511.db2.gz	JDHZLXUKZZJJGJ-UBALQFROSA-N	0	0	726.919	2.691	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cn5ccccc5n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027305135	561849472	/nfs/dbraw/zinc/84/94/72/561849472.db2.gz	FPLRFSKQLJDAJY-UHFFFAOYSA-N	0	0	597.680	2.583	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cn5ccsc5n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027305696	561849614	/nfs/dbraw/zinc/84/96/14/561849614.db2.gz	KPDDSWDGXOWSGU-UHFFFAOYSA-N	0	0	603.709	2.645	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccoc4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027305731	561849652	/nfs/dbraw/zinc/84/96/52/561849652.db2.gz	IIYZDUQPUNXSQY-UHFFFAOYSA-N	0	0	547.616	2.529	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc4ccccc4cn3)cn2C)cc1C(=O)Nc1cc(C(=O)NN2CCN(C)CC2)n(C)c1	ZINC000027306000	561849591	/nfs/dbraw/zinc/84/95/91/561849591.db2.gz	NAQLGKZBAXHQNV-UHFFFAOYSA-N	0	0	636.717	2.899	1	0		KFAFRN
COc1ccc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)n(C)c2)cc1	ZINC000027306128	561849604	/nfs/dbraw/zinc/84/96/04/561849604.db2.gz	OVFQFYHAXNZRCO-UHFFFAOYSA-N	0	0	587.681	2.944	1	0		KFAFRN
CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CN(C)C(C)C)c(Br)c3)[C@H]21	ZINC000027306354	561849579	/nfs/dbraw/zinc/84/95/79/561849579.db2.gz	VKMSBSHNEHYWTF-HSALFYBXSA-N	0	0	514.486	2.946	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc5nsnc5c4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027306871	561849737	/nfs/dbraw/zinc/84/97/37/561849737.db2.gz	NHTKOENAFQUOPX-UHFFFAOYSA-N	0	0	615.720	2.940	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc5[nH]cnc5c4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027307166	561849857	/nfs/dbraw/zinc/84/98/57/561849857.db2.gz	KHRMNRUQMFEGRH-UHFFFAOYSA-N	0	0	597.680	2.812	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O	ZINC000027307364	561849886	/nfs/dbraw/zinc/84/98/86/561849886.db2.gz	GCNSQAISKHRWNO-XNQAQSEHSA-N	0	0	726.919	2.739	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027307387	561849868	/nfs/dbraw/zinc/84/98/68/561849868.db2.gz	PKBCHWWFNGSWAA-UHFFFAOYSA-N	0	0	601.664	2.664	1	0		KFAFRN
Cc1cccnc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCN4CCOCC4)n(C)c3)n(C)c2)n(C)c1	ZINC000027308571	561850218	/nfs/dbraw/zinc/85/02/18/561850218.db2.gz	KRVHIFVDRMAFRU-UHFFFAOYSA-N	0	0	572.670	2.639	1	0		KFAFRN
COC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F	ZINC000027308919	561850351	/nfs/dbraw/zinc/85/03/51/561850351.db2.gz	KTNFLNJRDPHROW-WTNAPCKOSA-N	0	0	561.582	2.694	1	0		KFAFRN
COC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F	ZINC000027308923	561850389	/nfs/dbraw/zinc/85/03/89/561850389.db2.gz	KTNFLNJRDPHROW-VOQZNFBZSA-N	0	0	561.582	2.694	1	0		KFAFRN
COC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F	ZINC000027308928	561850377	/nfs/dbraw/zinc/85/03/77/561850377.db2.gz	KTNFLNJRDPHROW-YHYVQYDKSA-N	0	0	561.582	2.694	1	0		KFAFRN
COC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F	ZINC000027308933	561850348	/nfs/dbraw/zinc/85/03/48/561850348.db2.gz	KTNFLNJRDPHROW-ZPMCFJSWSA-N	0	0	561.582	2.694	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cnc5ccccc5n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027308938	561850378	/nfs/dbraw/zinc/85/03/78/561850378.db2.gz	NUFCCIBBZSLXKV-UHFFFAOYSA-N	0	0	609.691	2.879	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc5cnccc5n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027309820	561850459	/nfs/dbraw/zinc/85/04/59/561850459.db2.gz	QQTBUWPOLIQGGM-UHFFFAOYSA-N	0	0	609.691	2.879	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc5cccnc5n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027309825	561850449	/nfs/dbraw/zinc/85/04/49/561850449.db2.gz	PMKGIFMZOZJODU-UHFFFAOYSA-N	0	0	609.691	2.879	1	0		KFAFRN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccccc4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1	ZINC000027310109	561850510	/nfs/dbraw/zinc/85/05/10/561850510.db2.gz	LXIAZYCBIUTLMY-UHFFFAOYSA-N	0	0	557.655	2.936	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCCN2C1=O	ZINC000027310142	561850520	/nfs/dbraw/zinc/85/05/20/561850520.db2.gz	VQWHMNAKGFPWDQ-OHPUHXNZSA-N	0	0	714.908	2.547	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)N(C)C1=O	ZINC000027310147	561850474	/nfs/dbraw/zinc/85/04/74/561850474.db2.gz	UYAQQYSGQBVHCQ-PYJUVQNSSA-N	0	0	714.908	2.547	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C2	ZINC000027313820	561851230	/nfs/dbraw/zinc/85/12/30/561851230.db2.gz	UQKPGAVIKWODHF-XOSJJEKJSA-N	0	0	539.746	2.900	1	0		KFAFRN
Cn1cnc(CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1	ZINC000027314834	561851360	/nfs/dbraw/zinc/85/13/60/561851360.db2.gz	WHPAWLNOEGXKCE-WPERPRSCSA-N	0	0	687.929	2.503	1	0		KFAFRN
Cn1cnc(CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1	ZINC000027314840	561851425	/nfs/dbraw/zinc/85/14/25/561851425.db2.gz	WHPAWLNOEGXKCE-OKSWSIGKSA-N	0	0	687.929	2.503	1	0		KFAFRN
C[C@H](C(N)=O)[C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C	ZINC000027315565	561851452	/nfs/dbraw/zinc/85/14/52/561851452.db2.gz	ROLGRBIPLHLTHU-JSXNZTMQSA-N	0	0	515.720	2.757	1	0		KFAFRN
C[C@@H](C(N)=O)[C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C	ZINC000027315572	561851448	/nfs/dbraw/zinc/85/14/48/561851448.db2.gz	ROLGRBIPLHLTHU-ZKLXEPQLSA-N	0	0	515.720	2.757	1	0		KFAFRN
CN(C)[C@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C	ZINC000027316413	561851734	/nfs/dbraw/zinc/85/17/34/561851734.db2.gz	VQSZYMQVBWDSJN-YKEGNUIGSA-N	0	0	593.856	2.972	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)[C@@H]3C[C@@H](O)CN3C1=O)C2	ZINC000027318379	561852167	/nfs/dbraw/zinc/85/21/67/561852167.db2.gz	WBFAZXFLVKDXPO-KPMLHUMPSA-N	0	0	541.714	2.889	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)[C@H]3C[C@@H](O)CN3C1=O)C2	ZINC000027318383	561852191	/nfs/dbraw/zinc/85/21/91/561852191.db2.gz	WBFAZXFLVKDXPO-OPSAYLJGSA-N	0	0	541.714	2.889	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)[C@@H]3C[C@H](O)CN3C1=O)C2	ZINC000027318385	561852189	/nfs/dbraw/zinc/85/21/89/561852189.db2.gz	WBFAZXFLVKDXPO-VMVMLKIZSA-N	0	0	541.714	2.889	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)[C@H]3C[C@H](O)CN3C1=O)C2	ZINC000027318391	561852177	/nfs/dbraw/zinc/85/21/77/561852177.db2.gz	WBFAZXFLVKDXPO-PDTBKRPOSA-N	0	0	541.714	2.889	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@@H](CCC(N)=O)C1=O)C2	ZINC000027319125	561852315	/nfs/dbraw/zinc/85/23/15/561852315.db2.gz	CIAAPGAYGUUMOS-QENHYCSXSA-N	0	0	556.729	2.677	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@H](CCC(N)=O)C1=O)C2	ZINC000027319130	561852349	/nfs/dbraw/zinc/85/23/49/561852349.db2.gz	CIAAPGAYGUUMOS-VBWPBCICSA-N	0	0	556.729	2.677	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@@H](CCS(C)(=O)=O)C1=O)C2	ZINC000027320709	561852594	/nfs/dbraw/zinc/85/25/94/561852594.db2.gz	ZCGPVLYAKJEBOU-KXPNLRIWSA-N	0	0	591.796	2.846	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)C2	ZINC000027320713	561852586	/nfs/dbraw/zinc/85/25/86/561852586.db2.gz	ZCGPVLYAKJEBOU-IWHWMRIYSA-N	0	0	591.796	2.846	1	0		KFAFRN
COC(=O)CNC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C	ZINC000027322739	561852991	/nfs/dbraw/zinc/85/29/91/561852991.db2.gz	LWDKASHNXAPSEH-SBQVMTCPSA-N	0	0	517.692	2.963	1	0		KFAFRN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](C(=O)[C@H](N)CC(N)=O)C2	ZINC000027324853	561853243	/nfs/dbraw/zinc/85/32/43/561853243.db2.gz	FUVLBFHIEHVTRJ-BMWKMAGWSA-N	0	0	501.693	2.511	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](Cc2ccccc2)N1	ZINC000027326081	561853578	/nfs/dbraw/zinc/85/35/78/561853578.db2.gz	ZJIPAIGGTCLCAE-IGBKUBFESA-N	0	0	565.674	2.560	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](Cc2ccccc2)N1	ZINC000027326085	561853583	/nfs/dbraw/zinc/85/35/83/561853583.db2.gz	ZJIPAIGGTCLCAE-FMYROPPKSA-N	0	0	565.674	2.560	1	0		KFAFRN
COc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1	ZINC000027327377	561853970	/nfs/dbraw/zinc/85/39/70/561853970.db2.gz	GVBSBXCDBRHMJJ-CPESWEKQSA-N	0	0	595.700	2.569	1	0		KFAFRN
COc1ccc(C[C@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1	ZINC000027327382	561853928	/nfs/dbraw/zinc/85/39/28/561853928.db2.gz	GVBSBXCDBRHMJJ-ARVREXMNSA-N	0	0	595.700	2.569	1	0		KFAFRN
Nc1nc2c(ncn2CCCCCCCCCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OCc2cc(Br)cs2)n1	ZINC000027327733	561854048	/nfs/dbraw/zinc/85/40/48/561854048.db2.gz	YXGBFTTYOHELBK-BPWYQTPCSA-N	0	0	644.589	2.749	1	0		KFAFRN
Nc1nc2c(ncn2CCCCCCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(OCc2cc(Br)cs2)n1	ZINC000027327737	561854047	/nfs/dbraw/zinc/85/40/47/561854047.db2.gz	YXGBFTTYOHELBK-HKOYKICGSA-N	0	0	644.589	2.749	1	0		KFAFRN
Nc1nc2c(ncn2CCCCCCCCCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(OCc2cc(Br)cs2)n1	ZINC000027327741	561854059	/nfs/dbraw/zinc/85/40/59/561854059.db2.gz	YXGBFTTYOHELBK-DKYHCUFRSA-N	0	0	644.589	2.749	1	0		KFAFRN
Nc1nc2c(ncn2CCCCCCCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(OCc2cc(Br)cs2)n1	ZINC000027327745	561854035	/nfs/dbraw/zinc/85/40/35/561854035.db2.gz	YXGBFTTYOHELBK-QRBWNZBVSA-N	0	0	644.589	2.749	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CN1	ZINC000027328526	561854239	/nfs/dbraw/zinc/85/42/39/561854239.db2.gz	PRRYSNSLFNBYDL-FMYROPPKSA-N	0	0	565.674	2.560	1	0		KFAFRN
O=S1(=O)N(Cc2cccc(CCO)c2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(CCO)c1	ZINC000027329575	561854495	/nfs/dbraw/zinc/85/44/95/561854495.db2.gz	HOSLSXONLCDFQY-NWJWHWDBSA-N	0	0	662.805	2.936	1	0		KFAFRN
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCc2ccccc2)CN1	ZINC000027329812	561854508	/nfs/dbraw/zinc/85/45/08/561854508.db2.gz	PASOIULNYLRHND-POLDFPFKSA-N	0	0	579.701	2.950	1	0		KFAFRN
O=S1(=O)N(Cc2ccc(CO)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(CO)cc1	ZINC000027329895	561854492	/nfs/dbraw/zinc/85/44/92/561854492.db2.gz	AWUYZKRFZVNVEM-WZJLIZBTSA-N	0	0	634.751	2.851	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2nc(NC2CCCCC2)nc3NCc2cccc3ccccc32)[C@H](O)[C@@H]1O	ZINC000027329903	561854519	/nfs/dbraw/zinc/85/45/19/561854519.db2.gz	YROOXPJQTAXOQW-HUBRGWSESA-N	0	0	504.591	2.948	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(OC)cc1	ZINC000027329914	561854497	/nfs/dbraw/zinc/85/44/97/561854497.db2.gz	VPRUMEOQBRFKRM-RBZQAINGSA-N	0	0	527.618	2.650	1	0		KFAFRN
COC(=O)CCC(=O)NCCCC[C@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C	ZINC000027330259	561854702	/nfs/dbraw/zinc/85/47/02/561854702.db2.gz	WRCDPTWUTSGXIE-RVBWGZEVSA-N	0	0	706.825	2.746	1	0		KFAFRN
CC(C)CNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C	ZINC000027330542	561854738	/nfs/dbraw/zinc/85/47/38/561854738.db2.gz	LQUDIBKDTLWXQQ-HZFUHODCSA-N	0	0	604.752	2.763	1	0		KFAFRN
CNC(=O)CN1c2ccccc2C(c2ccc3c(c2)OCO3)=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O	ZINC000027331297	561855038	/nfs/dbraw/zinc/85/50/38/561855038.db2.gz	WQWFZBANPXEBCF-RKOGDMNLSA-N	0	0	548.546	2.945	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1	ZINC000027331357	561854988	/nfs/dbraw/zinc/85/49/88/561854988.db2.gz	YQCYRPDLRYOZFV-ISJGIBHGSA-N	0	0	540.661	2.707	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1	ZINC000027331365	561854984	/nfs/dbraw/zinc/85/49/84/561854984.db2.gz	YQCYRPDLRYOZFV-CCDWMCETSA-N	0	0	540.661	2.707	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cc(OC)c(OC)c(OC)c1	ZINC000027331372	561855002	/nfs/dbraw/zinc/85/50/02/561855002.db2.gz	CLBKCGOYQYVDNB-YTFSRNRJSA-N	0	0	587.670	2.667	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cc(OC)c(OC)c(OC)c1	ZINC000027331380	561854970	/nfs/dbraw/zinc/85/49/70/561854970.db2.gz	CLBKCGOYQYVDNB-RJGXRXQPSA-N	0	0	587.670	2.667	1	0		KFAFRN
C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)OCO3)c2ccccc2N(CC(N)=O)C1=O	ZINC000027331958	561855160	/nfs/dbraw/zinc/85/51/60/561855160.db2.gz	RXMOCYUYPYEZFP-QWXGXRTQSA-N	0	0	534.519	2.684	1	0		KFAFRN
Cc1ccc2nc(C(=O)[C@@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)oc2c1	ZINC000027332278	561855313	/nfs/dbraw/zinc/85/53/13/561855313.db2.gz	ILGKSXYPFSCDBG-YIGJPRQDSA-N	0	0	557.692	2.754	1	0		KFAFRN
Cc1ccc2nc(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)oc2c1	ZINC000027332280	561855297	/nfs/dbraw/zinc/85/52/97/561855297.db2.gz	ILGKSXYPFSCDBG-WVMBUTMQSA-N	0	0	557.692	2.754	1	0		KFAFRN
Cc1cccc2nc(C(=O)[C@@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)oc21	ZINC000027406015	561855447	/nfs/dbraw/zinc/85/54/47/561855447.db2.gz	GDYKIVNZCLFOJY-YIGJPRQDSA-N	0	0	557.692	2.754	1	0		KFAFRN
Cc1cccc2nc(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)oc21	ZINC000027406019	561855435	/nfs/dbraw/zinc/85/54/35/561855435.db2.gz	GDYKIVNZCLFOJY-WVMBUTMQSA-N	0	0	557.692	2.754	1	0		KFAFRN
C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000027406546	561855503	/nfs/dbraw/zinc/85/55/03/561855503.db2.gz	GCNQWXOWXBIKEQ-VXSXJSKRSA-N	0	0	690.801	2.740	1	0		KFAFRN
C[C@@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1	ZINC000027406715	561855625	/nfs/dbraw/zinc/85/56/25/561855625.db2.gz	PEBVROFXLQAOHG-WLENULPWSA-N	0	0	559.733	2.914	1	0		KFAFRN
C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1	ZINC000027406718	561855650	/nfs/dbraw/zinc/85/56/50/561855650.db2.gz	PEBVROFXLQAOHG-TXBYWVTISA-N	0	0	559.733	2.914	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000027407193	561855638	/nfs/dbraw/zinc/85/56/38/561855638.db2.gz	SFZKIYLOJIJGLV-CXTCLPNASA-N	0	0	708.882	2.582	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000027407197	561855652	/nfs/dbraw/zinc/85/56/52/561855652.db2.gz	SFZKIYLOJIJGLV-OLAIZJASSA-N	0	0	708.882	2.582	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000027407202	561855758	/nfs/dbraw/zinc/85/57/58/561855758.db2.gz	SFZKIYLOJIJGLV-MZPPDMDNSA-N	0	0	708.882	2.582	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000027407206	561855756	/nfs/dbraw/zinc/85/57/56/561855756.db2.gz	SFZKIYLOJIJGLV-QSXRPSNWSA-N	0	0	708.882	2.582	1	0		KFAFRN
Cc1ccc2oc(C(=O)[C@@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)nc2c1	ZINC000027407605	561855739	/nfs/dbraw/zinc/85/57/39/561855739.db2.gz	POJOXLQXDUIPER-YIGJPRQDSA-N	0	0	557.692	2.754	1	0		KFAFRN
Cc1ccc2oc(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)nc2c1	ZINC000027407608	561855772	/nfs/dbraw/zinc/85/57/72/561855772.db2.gz	POJOXLQXDUIPER-WVMBUTMQSA-N	0	0	557.692	2.754	1	0		KFAFRN
CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1	ZINC000027408275	561856006	/nfs/dbraw/zinc/85/60/06/561856006.db2.gz	YFQOCPUAXDVMOS-KAYWLYCHSA-N	0	0	564.727	2.652	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1	ZINC000027408280	561855975	/nfs/dbraw/zinc/85/59/75/561855975.db2.gz	YFQOCPUAXDVMOS-RRPNLBNLSA-N	0	0	564.727	2.652	1	0		KFAFRN
CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1	ZINC000027408285	561855983	/nfs/dbraw/zinc/85/59/83/561855983.db2.gz	YFQOCPUAXDVMOS-SXOMAYOGSA-N	0	0	564.727	2.652	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1	ZINC000027408290	561856050	/nfs/dbraw/zinc/85/60/50/561856050.db2.gz	YFQOCPUAXDVMOS-SVBPBHIXSA-N	0	0	564.727	2.652	1	0		KFAFRN
CC(C)CNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C	ZINC000027409142	561855954	/nfs/dbraw/zinc/85/59/54/561855954.db2.gz	CIVNCBRCDVJBKZ-KKUQBAQOSA-N	0	0	583.730	2.711	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C	ZINC000027409308	561856152	/nfs/dbraw/zinc/85/61/52/561856152.db2.gz	VKJFDINBGLGOFB-FWEHEUNISA-N	0	0	580.726	2.932	1	0		KFAFRN
CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCC(C)C	ZINC000027410691	561856331	/nfs/dbraw/zinc/85/63/31/561856331.db2.gz	IUPMDEMQYZTTQU-GMQQYTKMSA-N	0	0	583.730	2.713	1	0		KFAFRN
COc1cc(CCC(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	ZINC000027411746	561856464	/nfs/dbraw/zinc/85/64/64/561856464.db2.gz	BEXOIRFAZJTTKE-UHFFFAOYSA-N	0	0	502.564	2.655	1	0		KFAFRN
Cc1cccc2oc(C(=O)[C@@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)nc21	ZINC000027411859	561856548	/nfs/dbraw/zinc/85/65/48/561856548.db2.gz	QMRLQYRCRDAKAJ-NXMSCROESA-N	0	0	557.692	2.754	1	0		KFAFRN
Cc1cccc2oc(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)nc21	ZINC000027411865	561856550	/nfs/dbraw/zinc/85/65/50/561856550.db2.gz	QMRLQYRCRDAKAJ-LLJLJFOGSA-N	0	0	557.692	2.754	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000027412094	561856531	/nfs/dbraw/zinc/85/65/31/561856531.db2.gz	CGAYPCFRXYLKOE-SXINAPMGSA-N	0	0	663.816	2.567	1	0		KFAFRN
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C	ZINC000027412305	561856543	/nfs/dbraw/zinc/85/65/43/561856543.db2.gz	WXHVZCMNTHRWOL-XKJABPBFSA-N	0	0	664.848	2.812	1	0		KFAFRN
COc1ccc(/C=C/C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c(OC)c1OC	ZINC000027414321	561856936	/nfs/dbraw/zinc/85/69/36/561856936.db2.gz	DTGDLUODBVXWIU-VQHVLOKHSA-N	0	0	509.563	2.617	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000027414891	561856916	/nfs/dbraw/zinc/85/69/16/561856916.db2.gz	AURPJQJFRPDUHG-GFNTVOLSSA-N	0	0	658.796	2.867	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000027414897	561856959	/nfs/dbraw/zinc/85/69/59/561856959.db2.gz	AURPJQJFRPDUHG-PTMMCVSBSA-N	0	0	658.796	2.867	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCc4ccc(N)c(I)c4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000027416617	561857184	/nfs/dbraw/zinc/85/71/84/561857184.db2.gz	RAFOPBYNNODDBT-UHFFFAOYSA-N	0	0	701.566	2.804	1	0		KFAFRN
COC(=O)c1cn2c3c(cc(F)c(N4CCN(c5ccc(N6C[C@H](CNC(C)=O)OC6=O)cc5F)CC4)c3OC[C@@H]2C)c1=O	ZINC000027417933	561857297	/nfs/dbraw/zinc/85/72/97/561857297.db2.gz	YYWSOSWGAQNTLJ-LPHOPBHVSA-N	0	0	611.602	2.808	1	0		KFAFRN
COC(=O)c1cn2c3c(cc(F)c(N4CCN(c5ccc(N6C[C@H](CNC(C)=O)OC6=O)cc5F)CC4)c3OC[C@H]2C)c1=O	ZINC000027417938	561857306	/nfs/dbraw/zinc/85/73/06/561857306.db2.gz	YYWSOSWGAQNTLJ-APWZRJJASA-N	0	0	611.602	2.808	1	0		KFAFRN
CCOC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccc(N5C[C@H](CNC(C)=O)OC5=O)cc4F)CC3)c(F)cc2c1=O	ZINC000027418275	561857298	/nfs/dbraw/zinc/85/72/98/561857298.db2.gz	PYZGJDSIVMHJPO-FQEVSTJZSA-N	0	0	625.629	2.900	1	0		KFAFRN
CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccncc1	ZINC000027418432	561857305	/nfs/dbraw/zinc/85/73/05/561857305.db2.gz	CJTDQJUQVJNOBL-OIFRRMEBSA-N	0	0	639.757	2.702	1	0		KFAFRN
CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCC(C)C	ZINC000027419506	561857421	/nfs/dbraw/zinc/85/74/21/561857421.db2.gz	PRIZFRYGAABWJS-YTCPBCGMSA-N	0	0	604.752	2.765	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000027419945	561857585	/nfs/dbraw/zinc/85/75/85/561857585.db2.gz	NTMCWLVMKCDTHZ-UCTOGJPGSA-N	0	0	684.838	2.619	1	0		KFAFRN
CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccncc1	ZINC000027423503	561858117	/nfs/dbraw/zinc/85/81/17/561858117.db2.gz	WNEQSLYQDVGVNM-HZFUHODCSA-N	0	0	618.735	2.651	1	0		KFAFRN
CCOC(=O)c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c2cc(N3CCN(C)CC3)c(F)cc2c1=O	ZINC000027426509	561858550	/nfs/dbraw/zinc/85/85/50/561858550.db2.gz	WRXXAYOEKLKCIX-IBGZPJMESA-N	0	0	583.592	2.659	1	0		KFAFRN
O=C(NC1CC1)[C@H]1O[C@H](n2cnc3c2ncnc3NCCc2c3ccccc3[nH]c2-c2ccccc2)[C@H](O)[C@@H]1O	ZINC000027430805	561859215	/nfs/dbraw/zinc/85/92/15/561859215.db2.gz	PKXHSQOHVVPLHS-JLMYGFKKSA-N	0	0	539.596	2.527	1	0		KFAFRN
COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1	ZINC000027431187	561859327	/nfs/dbraw/zinc/85/93/27/561859327.db2.gz	BQILMYSYWYSORF-NDEPHWFRSA-N	0	0	540.624	2.801	1	0		KFAFRN
COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1	ZINC000027431192	561859305	/nfs/dbraw/zinc/85/93/05/561859305.db2.gz	BQILMYSYWYSORF-MUUNZHRXSA-N	0	0	540.624	2.801	1	0		KFAFRN
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@H]3[C@H](I)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C	ZINC000027433026	561859593	/nfs/dbraw/zinc/85/95/93/561859593.db2.gz	UIBIZIYJJZAAQU-FCZPMCQJSA-N	0	0	542.410	2.788	1	0		KFAFRN
Nc1nc(C[C@@H]2O[C@H](CSCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)nc(NC2Cc3ccccc3C2)n1	ZINC000027437150	561860301	/nfs/dbraw/zinc/86/03/01/561860301.db2.gz	CZSYFYKSLPZYIO-PABCKOPISA-N	0	0	514.051	2.652	1	0		KFAFRN
Nc1nc(C[C@H]2O[C@H](CSCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)nc(NC2Cc3ccccc3C2)n1	ZINC000027437154	561860369	/nfs/dbraw/zinc/86/03/69/561860369.db2.gz	CZSYFYKSLPZYIO-YXPKMTABSA-N	0	0	514.051	2.652	1	0		KFAFRN
CC[C@@H](C)C(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1	ZINC000027438524	561860414	/nfs/dbraw/zinc/86/04/14/561860414.db2.gz	ONQOPPKTYBRABR-ZZGMPVFOSA-N	0	0	690.739	2.847	1	0		KFAFRN
CC[C@H](C)C(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1	ZINC000027438527	561860449	/nfs/dbraw/zinc/86/04/49/561860449.db2.gz	ONQOPPKTYBRABR-QKUPWIJOSA-N	0	0	690.739	2.847	1	0		KFAFRN
C/C=C/C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C	ZINC000027442564	561860995	/nfs/dbraw/zinc/86/09/95/561860995.db2.gz	FYXMWNWJYIAQFT-KEXGQZQASA-N	0	0	654.709	2.780	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3C[C@H](N5CCOCC5)[C@@H]5O[C@@H](C)OC[C@@H]5O3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000027518016	561861697	/nfs/dbraw/zinc/86/16/97/561861697.db2.gz	KOVQTETZLCQRHB-OIXALXMWSA-N	0	0	641.670	2.708	1	0		KFAFRN
CCOC(=O)CCCN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1)[C@@H](C(=O)[O-])C(=O)OCC	ZINC000027520930	561863766	/nfs/dbraw/zinc/86/37/66/561863766.db2.gz	YZRLZMNIANPSHW-XGAHLHMBSA-N	0	0	567.595	2.781	1	0		KFAFRN
CCOC(=O)CCCN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1)[C@H](C(=O)[O-])C(=O)OCC	ZINC000027520932	561863782	/nfs/dbraw/zinc/86/37/82/561863782.db2.gz	YZRLZMNIANPSHW-IKPXGLPCSA-N	0	0	567.595	2.781	1	0		KFAFRN
CSCC[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)N2CCCC2)c1)C(=O)N1CCCC1	ZINC000027521358	561864075	/nfs/dbraw/zinc/86/40/75/561864075.db2.gz	YICBXTOOMGLABY-SZPZYZBQSA-N	0	0	534.748	2.634	1	0		KFAFRN
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CCCC2)c1	ZINC000027521405	561863983	/nfs/dbraw/zinc/86/39/83/561863983.db2.gz	JVQRQKBQQFXKAW-LOSJGSFVSA-N	0	0	502.615	2.835	1	0		KFAFRN
COc1ccc(C[C@H](NC(=O)N2CCN(C)CC2)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1	ZINC000027521429	561864066	/nfs/dbraw/zinc/86/40/66/561864066.db2.gz	NWYGUHYSBOCJQH-PMUGGPHNSA-N	0	0	700.947	2.970	1	0		KFAFRN
CC[C@@H](C(=O)N[C@H](/C=C/C(=O)OCC(C)(C)C)C[C@@H]1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O	ZINC000027521923	561864335	/nfs/dbraw/zinc/86/43/35/561864335.db2.gz	UFZISEZLKZBZAO-FRRZSUEUSA-N	0	0	555.632	2.505	1	0		KFAFRN
CC[C@@H](C(=O)N[C@H](/C=C/C(=O)OCc1ccccc1)C[C@@H]1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O	ZINC000027521930	561864341	/nfs/dbraw/zinc/86/43/41/561864341.db2.gz	JCRZIFCWUXJHSS-CKQBFUQQSA-N	0	0	575.622	2.659	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1	ZINC000027522155	561864369	/nfs/dbraw/zinc/86/43/69/561864369.db2.gz	NWZYWWXWHYBAHC-KAAJUZHGSA-N	0	0	652.881	2.614	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc(C(=O)N3CCC[C@H]3C(=O)N3CCCC3)c2)CC1	ZINC000027522319	561864415	/nfs/dbraw/zinc/86/44/15/561864415.db2.gz	HEULOFYLOQVHPW-LOSJGSFVSA-N	0	0	581.714	2.598	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1	ZINC000027522704	561864641	/nfs/dbraw/zinc/86/46/41/561864641.db2.gz	DSZGOKARGFBAHP-YVNNRUMDSA-N	0	0	653.865	2.778	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cc[nH]n1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1	ZINC000027523046	561864756	/nfs/dbraw/zinc/86/47/56/561864756.db2.gz	UVIAMIQSBXZGNV-YVNNRUMDSA-N	0	0	652.881	2.683	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1	ZINC000027523047	561864749	/nfs/dbraw/zinc/86/47/49/561864749.db2.gz	WJQFHRUDUDEEDW-YVNNRUMDSA-N	0	0	652.881	2.683	1	0		KFAFRN
CC[C@@H](C(=O)N[C@H](/C=C/C(=O)OC1CCCCC1)C[C@@H]1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O	ZINC000027523119	561864747	/nfs/dbraw/zinc/86/47/47/561864747.db2.gz	MQLVPCIFKRUJFP-YIWALVRKSA-N	0	0	567.643	2.791	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cc[nH]n1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1	ZINC000027523232	561864919	/nfs/dbraw/zinc/86/49/19/561864919.db2.gz	XSSDXQDEHHKCMR-QCZWDIFZSA-N	0	0	639.838	2.768	1	0		KFAFRN
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](CC(=O)N2CCOCC2)Cc2ccccc2)OC1=O	ZINC000027523709	561865175	/nfs/dbraw/zinc/86/51/75/561865175.db2.gz	UQQFLRHXOJEHKL-BQBSFFJSSA-N	0	0	683.872	2.935	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C1CN(C)C1	ZINC000027523827	561865323	/nfs/dbraw/zinc/86/53/23/561865323.db2.gz	HIPILNLQJGFQLX-CDPVQLQCSA-N	0	0	676.946	2.981	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1	ZINC000027524025	561865420	/nfs/dbraw/zinc/86/54/20/561865420.db2.gz	QYECWSWYOHXQPJ-WJUOLASASA-N	0	0	639.838	2.699	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCCCO)[C@@H](C)CC	ZINC000027524511	561865786	/nfs/dbraw/zinc/86/57/86/561865786.db2.gz	JTMRUIJZKNZJRX-BKWLFHPQSA-N	0	0	572.788	2.627	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCCCO	ZINC000027524513	561865826	/nfs/dbraw/zinc/86/58/26/561865826.db2.gz	JTMRUIJZKNZJRX-LDRRNKBBSA-N	0	0	572.788	2.627	1	0		KFAFRN
CCOC(=O)CCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC	ZINC000027525293	561866002	/nfs/dbraw/zinc/86/60/02/561866002.db2.gz	WHXVDJWSDYFSQV-BNCSLUSBSA-N	0	0	600.798	2.808	1	0		KFAFRN
CCOC(=O)CCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)[C@@H](C)CC	ZINC000027525297	561866035	/nfs/dbraw/zinc/86/60/35/561866035.db2.gz	WHXVDJWSDYFSQV-RACKXPAOSA-N	0	0	600.798	2.808	1	0		KFAFRN
COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2cn3cccnc3n2)C(C)(C)C)cc1	ZINC000027552402	561868365	/nfs/dbraw/zinc/86/83/65/561868365.db2.gz	FRHWYFZVKASZPF-WJTSKZNASA-N	0	0	733.870	2.904	1	0		KFAFRN
COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2cn3cccnc3n2)C(C)(C)C)cc1	ZINC000027552405	561868330	/nfs/dbraw/zinc/86/83/30/561868330.db2.gz	FRHWYFZVKASZPF-UJIJLIPZSA-N	0	0	733.870	2.904	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	ZINC000027555182	561869277	/nfs/dbraw/zinc/86/92/77/561869277.db2.gz	VNLINLIDWTTYAX-DYFQPDDQSA-N	0	0	605.732	2.787	1	0		KFAFRN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](c2cn(CC(=O)OC)c3ccccc3c2=O)NC1=O	ZINC000027555191	561869285	/nfs/dbraw/zinc/86/92/85/561869285.db2.gz	DSONHDLQKGVDIP-XUDSACHNSA-N	0	0	679.815	2.672	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCCC(=O)OC)NC(=O)[C@H]2CCCCN2C1=O	ZINC000027557738	561870023	/nfs/dbraw/zinc/87/00/23/561870023.db2.gz	PNUYSPLYMKBMGI-XWNAZLTASA-N	0	0	639.794	2.651	1	0		KFAFRN
NC(=O)c1ccc(C(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccccc2)cc1	ZINC000027559224	561870191	/nfs/dbraw/zinc/87/01/91/561870191.db2.gz	NWEBWUXLQINLRT-WHCXKFMVSA-N	0	0	587.587	2.797	1	0		KFAFRN
COc1ccc(C(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccc(OC)cc2)c2cccc(C(N)=O)c2)cc1	ZINC000027559234	561870199	/nfs/dbraw/zinc/87/01/99/561870199.db2.gz	QLSXKVNTGQHRPJ-FLFAWLEMSA-N	0	0	647.639	2.815	1	0		KFAFRN
COc1ccc(C(Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccc(OC)cc2)c2ccc(C(N)=O)cc2)cc1	ZINC000027562378	561870961	/nfs/dbraw/zinc/87/09/61/561870961.db2.gz	XOFYOKVXGAHJOL-FLFAWLEMSA-N	0	0	647.639	2.815	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O	ZINC000027562702	561871032	/nfs/dbraw/zinc/87/10/32/561871032.db2.gz	RKIFFDNMEAOXHM-DBJAASCVSA-N	0	0	649.236	2.915	1	0		KFAFRN
CSC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027562724	561871066	/nfs/dbraw/zinc/87/10/66/561871066.db2.gz	NVKDERLCVDLDST-ZDCRTTOTSA-N	0	0	679.843	2.800	1	0		KFAFRN
CC1=CS[C@@H]2[C@@H](CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)N=CN12	ZINC000027562959	561871183	/nfs/dbraw/zinc/87/11/83/561871183.db2.gz	QICFGILRSAZJGI-IUYMEZISSA-N	0	0	674.912	2.918	1	0		KFAFRN
CC1=CS[C@@H]2[C@H](CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)N=CN12	ZINC000027562964	561871160	/nfs/dbraw/zinc/87/11/60/561871160.db2.gz	QICFGILRSAZJGI-RKKCPYFBSA-N	0	0	674.912	2.918	1	0		KFAFRN
C[C@@H]1CC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C	ZINC000027563301	561871389	/nfs/dbraw/zinc/87/13/89/561871389.db2.gz	LNPHIOMCOASJCF-JBVVTXKKSA-N	0	0	597.776	2.507	1	0		KFAFRN
C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C	ZINC000027563304	561871363	/nfs/dbraw/zinc/87/13/63/561871363.db2.gz	LNPHIOMCOASJCF-KPRVNNOFSA-N	0	0	597.776	2.507	1	0		KFAFRN
CC(=O)O[C@H]1[C@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O	ZINC000027617798	561872118	/nfs/dbraw/zinc/87/21/18/561872118.db2.gz	OBYNGFISZFHRJV-TWHDSSIESA-N	0	0	542.537	2.583	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1	ZINC000027618463	561872112	/nfs/dbraw/zinc/87/21/12/561872112.db2.gz	QHPXHLIPOOUIKK-HZFUHODCSA-N	0	0	603.720	2.886	1	0		KFAFRN
[NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(CO)c2)c(I)c1)C(=O)[O-]	ZINC000027618796	561872290	/nfs/dbraw/zinc/87/22/90/561872290.db2.gz	JIZHHZGWDIKSIH-ZDUSSCGKSA-N	0	0	555.106	2.840	1	0		KFAFRN
[NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(CO)c2)c(I)c1)C(=O)[O-]	ZINC000027618801	561872311	/nfs/dbraw/zinc/87/23/11/561872311.db2.gz	JIZHHZGWDIKSIH-CYBMUJFWSA-N	0	0	555.106	2.840	1	0		KFAFRN
[NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(CCO)c2)c(I)c1)C(=O)[O-]	ZINC000027621314	561872562	/nfs/dbraw/zinc/87/25/62/561872562.db2.gz	GCHLHQUKCLVDKQ-AWEZNQCLSA-N	0	0	569.133	2.883	1	0		KFAFRN
[NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(CCO)c2)c(I)c1)C(=O)[O-]	ZINC000027621319	561872581	/nfs/dbraw/zinc/87/25/81/561872581.db2.gz	GCHLHQUKCLVDKQ-CQSZACIVSA-N	0	0	569.133	2.883	1	0		KFAFRN
CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(C(=O)NC)c3)S2(=O)=O)c1	ZINC000027621833	561872670	/nfs/dbraw/zinc/87/26/70/561872670.db2.gz	JXCRNYYHOBWABD-WZJLIZBTSA-N	0	0	688.803	2.585	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CC1)C(=O)N[C@H]1c2cccc(F)c2C[C@H]1O	ZINC000027624158	561872902	/nfs/dbraw/zinc/87/29/02/561872902.db2.gz	OIRAUZNFSQUBAZ-DUYFQHRWSA-N	0	0	595.760	2.563	1	0		KFAFRN
CC(=O)Oc1cc(C)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1C(=O)CCc1ccc2occc2c1	ZINC000027624182	561872882	/nfs/dbraw/zinc/87/28/82/561872882.db2.gz	RVBQLJZFVZYDEA-LXRLAABLSA-N	0	0	584.574	2.802	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000027627345	561873341	/nfs/dbraw/zinc/87/33/41/561873341.db2.gz	NPWARPHZHOFXPU-DTXPUJKBSA-N	0	0	624.742	2.937	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC(C)C)C(C)C)C(C)C	ZINC000027631816	561873966	/nfs/dbraw/zinc/87/39/66/561873966.db2.gz	MFCSFBLGHJKUFP-OQWKOXFXSA-N	0	0	627.868	2.873	1	0		KFAFRN
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)[O-]	ZINC000027632011	561874008	/nfs/dbraw/zinc/87/40/08/561874008.db2.gz	JXFPKICARFQMQZ-YGPDHOBYSA-N	0	0	555.635	2.521	1	0		KFAFRN
CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1	ZINC000027632537	561873980	/nfs/dbraw/zinc/87/39/80/561873980.db2.gz	HWCWSELNAFUFJL-UHFFFAOYSA-N	0	0	503.460	2.909	1	0		KFAFRN
COc1ccc(CNC(=O)CC[C@@H](NC(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)NCc2ccc(OC)cc2)cc1	ZINC000027636415	561874633	/nfs/dbraw/zinc/87/46/33/561874633.db2.gz	ZRFFDASQUOFUDM-GDLZYMKVSA-N	0	0	692.781	2.749	1	0		KFAFRN
COc1ccc(CNC(=O)CC[C@H](NC(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)NCc2ccc(OC)cc2)cc1	ZINC000027636421	561874573	/nfs/dbraw/zinc/87/45/73/561874573.db2.gz	ZRFFDASQUOFUDM-LJAQVGFWSA-N	0	0	692.781	2.749	1	0		KFAFRN
CCc1nnnn1CC(I)=C(I)I	ZINC000027636704	561874639	/nfs/dbraw/zinc/87/46/39/561874639.db2.gz	KDNOFCQFJDAGAA-UHFFFAOYSA-N	0	0	515.862	2.710	1	0		KFAFRN
CCc1nnn(CC(I)=C(I)I)n1	ZINC000027638631	561874922	/nfs/dbraw/zinc/87/49/22/561874922.db2.gz	NISBHVAZXZEOHS-UHFFFAOYSA-N	0	0	515.862	2.710	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)CCN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC1=O	ZINC000027639321	561875009	/nfs/dbraw/zinc/87/50/09/561875009.db2.gz	KQPFYXMIIDJSKZ-WKAQUBQDSA-N	0	0	586.774	2.938	1	0		KFAFRN
CCOCCc1nnnn1CC(I)=C(I)I	ZINC000027641535	561875298	/nfs/dbraw/zinc/87/52/98/561875298.db2.gz	MJHSDRWIIBFWHX-UHFFFAOYSA-N	0	0	559.915	2.726	1	0		KFAFRN
CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C	ZINC000027642587	561875481	/nfs/dbraw/zinc/87/54/81/561875481.db2.gz	WWZIAYWNIGKIJW-GRDZGFKTSA-N	0	0	610.887	2.903	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC1=O	ZINC000027643694	561875555	/nfs/dbraw/zinc/87/55/55/561875555.db2.gz	RKZYIXSFHOTULV-RSYZFUPGSA-N	0	0	572.747	2.596	1	0		KFAFRN
CCOC(=O)[C@@H]1[C@@H](C(=O)OCc2ccccc2)N1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000027645552	561875821	/nfs/dbraw/zinc/87/58/21/561875821.db2.gz	SSESQFPWVCPHLA-PYQKXTHNSA-N	0	0	567.639	2.513	1	0		KFAFRN
CCOC(=O)[C@H]1[C@@H](C(=O)OCc2ccccc2)N1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000027645558	561875832	/nfs/dbraw/zinc/87/58/32/561875832.db2.gz	SSESQFPWVCPHLA-TYXCLDTFSA-N	0	0	567.639	2.513	1	0		KFAFRN
CCOC(=O)[C@@H]1[C@H](C(=O)OCc2ccccc2)N1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000027645564	561875755	/nfs/dbraw/zinc/87/57/55/561875755.db2.gz	SSESQFPWVCPHLA-OQAIFWMHSA-N	0	0	567.639	2.513	1	0		KFAFRN
CCOC(=O)[C@H]1[C@H](C(=O)OCc2ccccc2)N1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000027645570	561875830	/nfs/dbraw/zinc/87/58/30/561875830.db2.gz	SSESQFPWVCPHLA-WCDFGMKHSA-N	0	0	567.639	2.513	1	0		KFAFRN
CCOCCc1nnn(CC(I)=C(I)I)n1	ZINC000027645592	561875823	/nfs/dbraw/zinc/87/58/23/561875823.db2.gz	JHCRZONDZKWKIV-UHFFFAOYSA-N	0	0	559.915	2.726	1	0		KFAFRN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2[nH]cc[nH+]2)c1)NS(=O)(=O)c1ccc2ccccc2c1	ZINC000027647010	561875892	/nfs/dbraw/zinc/87/58/92/561875892.db2.gz	FPHTZWODHSAREX-QHCPKHFHSA-N	0	0	561.624	2.576	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](O)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1	ZINC000027647491	561876058	/nfs/dbraw/zinc/87/60/58/561876058.db2.gz	LZVIADMYMDRIDU-BIYCRLFQSA-N	0	0	532.542	2.645	1	0		KFAFRN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2[nH]cc[nH+]2)c1)NS(=O)(=O)c1c(Cl)cccc1Cl	ZINC000027648162	561876225	/nfs/dbraw/zinc/87/62/25/561876225.db2.gz	GVYNMUHOCJCTAC-SFHVURJKSA-N	0	0	580.454	2.730	1	0		KFAFRN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2[nH]cc[nH+]2)c1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000027648168	561876208	/nfs/dbraw/zinc/87/62/08/561876208.db2.gz	UEECFINMWUCQEJ-IBGZPJMESA-N	0	0	580.454	2.730	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC(C)(C)[C@@H](C[C@@H]2OC(=O)c1ccco1)[C@H]3OC(=O)c1ccco1	ZINC000027649565	561876174	/nfs/dbraw/zinc/87/61/74/561876174.db2.gz	UIECACVRTPYSCK-BUDKPZLWSA-N	0	0	632.615	2.759	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(F)(F)F	ZINC000027650191	561876438	/nfs/dbraw/zinc/87/64/38/561876438.db2.gz	CCWVECXEROQWBX-WZYRYCOZSA-N	0	0	576.517	2.871	1	0		KFAFRN
CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCCNc3[nH]cc[nH+]3)c2)C(=O)[O-])cc1	ZINC000027651338	561876724	/nfs/dbraw/zinc/87/67/24/561876724.db2.gz	FLNUDQDCPXXSFF-QFIPXVFZSA-N	0	0	567.672	2.721	1	0		KFAFRN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2[nH]cc[nH+]2)c1)NS(=O)(=O)c1cccc2ccccc21	ZINC000027653354	561876989	/nfs/dbraw/zinc/87/69/89/561876989.db2.gz	ADIJTHIVOWWIHS-QFIPXVFZSA-N	0	0	561.624	2.576	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](OC(=O)c2ccco2)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3O	ZINC000027655839	561877528	/nfs/dbraw/zinc/87/75/28/561877528.db2.gz	JXQLGVFTAKWAOV-HIIUCDTHSA-N	0	0	532.542	2.645	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CCO)CC1	ZINC000027656324	561877635	/nfs/dbraw/zinc/87/76/35/561877635.db2.gz	GNMHZXHBDNRMPA-FQRUVTKNSA-N	0	0	552.663	2.837	1	0		KFAFRN
CCOC(=O)C[C@@H](NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(=O)OCC	ZINC000027657603	561878086	/nfs/dbraw/zinc/87/80/86/561878086.db2.gz	URPAFRKXOBUJCQ-QGZVFWFLSA-N	0	0	514.970	2.674	1	0		KFAFRN
CCOC(=O)C[C@H](NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(=O)OCC	ZINC000027657605	561878206	/nfs/dbraw/zinc/87/82/06/561878206.db2.gz	URPAFRKXOBUJCQ-KRWDZBQOSA-N	0	0	514.970	2.674	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000027703873	561878407	/nfs/dbraw/zinc/87/84/07/561878407.db2.gz	POEPROHXWZELFO-HCAKFESKSA-N	0	0	639.753	2.600	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@H](C)O	ZINC000027703878	561878564	/nfs/dbraw/zinc/87/85/64/561878564.db2.gz	POEPROHXWZELFO-JQRZFYJOSA-N	0	0	639.753	2.600	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3O)nc2c(=O)n(CCC)c1=O	ZINC000027706813	561878977	/nfs/dbraw/zinc/87/89/77/561878977.db2.gz	OEJNOJIZQSPNFJ-UHFFFAOYSA-N	0	0	521.574	2.522	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCN3CCOCC3)CC2)cc1	ZINC000027710347	561879565	/nfs/dbraw/zinc/87/95/65/561879565.db2.gz	GNKDAFHMMHAYTA-POURPWNDSA-N	0	0	585.790	2.899	1	0		KFAFRN
COc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1	ZINC000027710382	561879503	/nfs/dbraw/zinc/87/95/03/561879503.db2.gz	BBOXELFKVACYEU-XBZNOJLSSA-N	0	0	518.526	2.793	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C	ZINC000027713030	561879945	/nfs/dbraw/zinc/87/99/45/561879945.db2.gz	LKKZJXADTMQDID-VFFRCKCKSA-N	0	0	704.906	2.820	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C	ZINC000027713035	561879915	/nfs/dbraw/zinc/87/99/15/561879915.db2.gz	LKKZJXADTMQDID-IIZANFQQSA-N	0	0	704.906	2.820	1	0		KFAFRN
CC(=O)SCCOP(=O)(OCCSC(C)=O)OC[C@H]1CC[C@@H](n2cnc3c2ncnc3N)O1	ZINC000027715003	561880189	/nfs/dbraw/zinc/88/01/89/561880189.db2.gz	HEXCDKNCPCOTNK-CABCVRRESA-N	0	0	519.542	2.803	1	0		KFAFRN
COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1	ZINC000027722239	561880799	/nfs/dbraw/zinc/88/07/99/561880799.db2.gz	SUDWKZKPTSHHRS-YGOYIFOWSA-N	0	0	566.690	2.892	1	0		KFAFRN
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3cccc(OC)c3cc2C1=O)C(=O)[O-]	ZINC000027732648	561881423	/nfs/dbraw/zinc/88/14/23/561881423.db2.gz	YCHWBZQRFSMZCL-PVHODMMVSA-N	0	0	602.688	2.766	1	0		KFAFRN
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3c(OC)c2C1=O)C(=O)[O-]	ZINC000027733028	561881441	/nfs/dbraw/zinc/88/14/41/561881441.db2.gz	PAILGNIROCKBQU-ZNZIZOMTSA-N	0	0	602.688	2.766	1	0		KFAFRN
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1Cl	ZINC000027739789	561882361	/nfs/dbraw/zinc/88/23/61/561882361.db2.gz	MLEBIRVQFXPOAF-UHFFFAOYSA-N	0	0	512.780	2.660	1	0		KFAFRN
C[C@@H](NC(=O)CCN1CCOCC1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1	ZINC000027740009	561882267	/nfs/dbraw/zinc/88/22/67/561882267.db2.gz	SFFKCVGDEXNBPX-HSZRJFAPSA-N	0	0	594.688	2.683	1	0		KFAFRN
CCOCC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1	ZINC000027740396	561882474	/nfs/dbraw/zinc/88/24/74/561882474.db2.gz	GCOYDQKIPNDQSX-HXUWFJFHSA-N	0	0	539.608	2.997	1	0		KFAFRN
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccc(OC)cc3cc2C1=O)C(=O)[O-]	ZINC000027740893	561882497	/nfs/dbraw/zinc/88/24/97/561882497.db2.gz	RKPZBJWTTSNTOI-PKTNWEFCSA-N	0	0	602.688	2.766	1	0		KFAFRN
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCNC(=O)c1ccc2ccccc2c1)C(=O)[O-]	ZINC000027740902	561882511	/nfs/dbraw/zinc/88/25/11/561882511.db2.gz	RMLJJALZEPRGDU-PVHODMMVSA-N	0	0	546.668	2.891	1	0		KFAFRN
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])c1ccccc1	ZINC000027740930	561882521	/nfs/dbraw/zinc/88/25/21/561882521.db2.gz	IZXHKSIJYAXOFC-ZNZIZOMTSA-N	0	0	558.635	2.887	1	0		KFAFRN
CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])c1ccccc1	ZINC000027740941	561882509	/nfs/dbraw/zinc/88/25/09/561882509.db2.gz	IZXHKSIJYAXOFC-UODIDJSMSA-N	0	0	558.635	2.887	1	0		KFAFRN
CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1	ZINC000027741188	561882484	/nfs/dbraw/zinc/88/24/84/561882484.db2.gz	LCBWCCNJDCTZTP-DQEYMECFSA-N	0	0	555.697	2.623	1	0		KFAFRN
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-]	ZINC000027742870	561882606	/nfs/dbraw/zinc/88/26/06/561882606.db2.gz	XRAGTWOVABKXJS-SGNDLWITSA-N	0	0	538.645	2.560	1	0		KFAFRN
C[C@@H](NC(=O)CCN1CCOCC1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1	ZINC000027744868	561883000	/nfs/dbraw/zinc/88/30/00/561883000.db2.gz	BQHLYOPBOIAECI-HSZRJFAPSA-N	0	0	600.736	2.749	1	0		KFAFRN
COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21	ZINC000027754811	561883446	/nfs/dbraw/zinc/88/34/46/561883446.db2.gz	JNHZXGXHSIXVBS-LHGVVLJVSA-N	0	0	619.763	2.917	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)OC	ZINC000027755048	561883440	/nfs/dbraw/zinc/88/34/40/561883440.db2.gz	BNMLOEIVIMHGKK-SAJDGTNDSA-N	0	0	541.592	2.741	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)OC	ZINC000027755057	561883430	/nfs/dbraw/zinc/88/34/30/561883430.db2.gz	BNMLOEIVIMHGKK-WBKMXMRLSA-N	0	0	541.592	2.741	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)CC(=O)OC(C)C	ZINC000027756228	561883622	/nfs/dbraw/zinc/88/36/22/561883622.db2.gz	UXEBFVSPJTVVLH-QVEYCFQASA-N	0	0	663.816	2.932	1	0		KFAFRN
Nc1nccc2cc(C[C@@H](NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C(=O)N3CCCCC3)ccc21	ZINC000027762191	561884103	/nfs/dbraw/zinc/88/41/03/561884103.db2.gz	JNGWPAXVXOJMED-AREMUKBSSA-N	0	0	545.665	2.989	1	0		KFAFRN
Nc1nccc2cc(C[C@H](NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C(=O)N3CCCCC3)ccc21	ZINC000027762199	561884114	/nfs/dbraw/zinc/88/41/14/561884114.db2.gz	JNGWPAXVXOJMED-SANMLTNESA-N	0	0	545.665	2.989	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1[S@@](=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000027769653	561885055	/nfs/dbraw/zinc/88/50/55/561885055.db2.gz	OSCUPLHSJJMKQI-LWLHCUIQSA-N	0	0	657.793	2.633	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1[S@](=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000027769660	561885084	/nfs/dbraw/zinc/88/50/84/561885084.db2.gz	OSCUPLHSJJMKQI-IQSSAMNSSA-N	0	0	657.793	2.633	1	0		KFAFRN
CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C	ZINC000027846322	561885549	/nfs/dbraw/zinc/88/55/49/561885549.db2.gz	HQWLOOZWBNAXSA-GMQQYTKMSA-N	0	0	578.735	2.929	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027848499	561885854	/nfs/dbraw/zinc/88/58/54/561885854.db2.gz	OOZLCQUTVAREEH-ZEQRLZLVSA-N	0	0	535.645	2.713	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000027848507	561885849	/nfs/dbraw/zinc/88/58/49/561885849.db2.gz	OOZLCQUTVAREEH-RPWUZVMVSA-N	0	0	535.645	2.713	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)NC(=O)[C@@H]1Cc1ccc(Br)cc1	ZINC000027851749	561886115	/nfs/dbraw/zinc/88/61/15/561886115.db2.gz	SJRJXOQQVRWRHA-FWEHEUNISA-N	0	0	636.547	2.850	1	0		KFAFRN
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CN1CCC(CCCO[N+](=O)[O-])CC1	ZINC000027853548	561886314	/nfs/dbraw/zinc/88/63/14/561886314.db2.gz	VUXNQRMADHTMMO-CGTDRYGLSA-N	0	0	588.698	2.809	1	0		KFAFRN
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CN1CCC(CCCO[N+](=O)[O-])CC1	ZINC000027853570	561886357	/nfs/dbraw/zinc/88/63/57/561886357.db2.gz	VUXNQRMADHTMMO-DQHGQSEYSA-N	0	0	588.698	2.809	1	0		KFAFRN
CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@@H]4SC(=O)[N-]C4=O)cc3)CC2)ccc1Cl	ZINC000027853852	561886382	/nfs/dbraw/zinc/88/63/82/561886382.db2.gz	WGCHRWVKMIDGQZ-VXKWHMMOSA-N	0	0	553.106	2.898	1	0		KFAFRN
CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@H]4SC(=O)[N-]C4=O)cc3)CC2)ccc1Cl	ZINC000027853861	561886310	/nfs/dbraw/zinc/88/63/10/561886310.db2.gz	WGCHRWVKMIDGQZ-FCHUYYIVSA-N	0	0	553.106	2.898	1	0		KFAFRN
CCCCCCn1c(=O)[n-]n(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O	ZINC000027854536	561886521	/nfs/dbraw/zinc/88/65/21/561886521.db2.gz	VFWQUQCFDQRHGW-MHZLTWQESA-N	0	0	580.711	2.969	1	0		KFAFRN
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CO)CC1)[C@H]1Cc2ccccc2CN1	ZINC000027858063	561886736	/nfs/dbraw/zinc/88/67/36/561886736.db2.gz	PZLPJYDHCHHZDQ-KAYWLYCHSA-N	0	0	533.072	2.923	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000027874528	561888546	/nfs/dbraw/zinc/88/85/46/561888546.db2.gz	GQYQVRLKCQSBAG-QOVNPHLHSA-N	0	0	613.841	2.625	1	0		KFAFRN
O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1	ZINC000027875762	561888664	/nfs/dbraw/zinc/88/86/64/561888664.db2.gz	WFOISWYQSFBGNC-ARMFNRFLSA-N	0	0	541.718	2.833	1	0		KFAFRN
O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1	ZINC000027875769	561888659	/nfs/dbraw/zinc/88/86/59/561888659.db2.gz	WFOISWYQSFBGNC-DMDYGQEQSA-N	0	0	541.718	2.833	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000027876464	561888700	/nfs/dbraw/zinc/88/87/00/561888700.db2.gz	GQYQVRLKCQSBAG-QKYIWSEVSA-N	0	0	613.841	2.625	1	0		KFAFRN
CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C)C(C)C	ZINC000027877064	561888670	/nfs/dbraw/zinc/88/86/70/561888670.db2.gz	HFNUOOUZQYGIIA-CHLMOITFSA-N	0	0	512.736	2.512	1	0		KFAFRN
Cn1cc2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1)C2	ZINC000027880323	561889094	/nfs/dbraw/zinc/88/90/94/561889094.db2.gz	HKLXVLDFJWIKOS-OIKPOIBNSA-N	0	0	555.745	2.843	1	0		KFAFRN
Cn1cc2c(n1)CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1)C2	ZINC000027880331	561889041	/nfs/dbraw/zinc/88/90/41/561889041.db2.gz	HKLXVLDFJWIKOS-IEUSDUHPSA-N	0	0	555.745	2.843	1	0		KFAFRN
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CCC[C@H](NC(=O)[C@@H]1[C@@H](C(C)(C)C)CCN1C(=O)[C@H](NC(=O)[C@H](N[C@H](O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000028102038	561901775	/nfs/dbraw/zinc/90/17/75/561901775.db2.gz	GZJYZYJQMCNEBL-QVHSTJPRSA-N	0	0	697.922	2.933	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](CNN)Cc1ccccc1	ZINC000028104488	561902199	/nfs/dbraw/zinc/90/21/99/561902199.db2.gz	ODNBZWZKLCPMEC-SSBOKUKZSA-N	0	0	587.721	2.815	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](CNN)Cc1ccccc1	ZINC000028104495	561902165	/nfs/dbraw/zinc/90/21/65/561902165.db2.gz	ODNBZWZKLCPMEC-ULNSLHSMSA-N	0	0	587.721	2.815	1	0		KFAFRN
COC(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)cc1	ZINC000028108149	561902682	/nfs/dbraw/zinc/90/26/82/561902682.db2.gz	WYROVWKXMCXPTD-BVZFJXPGSA-N	0	0	537.563	2.843	1	0		KFAFRN
CC[C@@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H]2CSC1=N2	ZINC000028109502	561902914	/nfs/dbraw/zinc/90/29/14/561902914.db2.gz	MXZCBFXSFNFJTR-PWGGCGQBSA-N	0	0	679.869	2.897	1	0		KFAFRN
CC[C@@H](C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@H]2CSC1=N2	ZINC000028109547	561902892	/nfs/dbraw/zinc/90/28/92/561902892.db2.gz	MXZCBFXSFNFJTR-AQGKXNLMSA-N	0	0	679.869	2.897	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](CNN)Cc1ccccc1	ZINC000028110972	561903008	/nfs/dbraw/zinc/90/30/08/561903008.db2.gz	ODNBZWZKLCPMEC-YTCPBCGMSA-N	0	0	587.721	2.815	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](CNN)Cc1ccccc1	ZINC000028110978	561903147	/nfs/dbraw/zinc/90/31/47/561903147.db2.gz	ODNBZWZKLCPMEC-AWCRTANDSA-N	0	0	587.721	2.815	1	0		KFAFRN
CC(=O)c1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000028112295	561903217	/nfs/dbraw/zinc/90/32/17/561903217.db2.gz	PLWQGIYNVJSLHC-AJIIGFCHSA-N	0	0	574.696	2.996	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12)S(=O)(=O)c1ccccc1	ZINC000028114668	561903447	/nfs/dbraw/zinc/90/34/47/561903447.db2.gz	BAEBYPQCCDXNPJ-DQUFFZNGSA-N	0	0	532.659	2.793	1	0		KFAFRN
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@@H]3C[C@H](O)C(=O)C(C)(C)C3=CC[C@@H]21	ZINC000028118526	561904225	/nfs/dbraw/zinc/90/42/25/561904225.db2.gz	QCIDDKUNTHOJBT-QWYSIJBTSA-N	0	0	502.648	2.538	1	0		KFAFRN
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]1CC(=O)[C@@]1(C)[C@@H]3C[C@H](O)C(=O)C(C)(C)C3=CC[C@@H]21	ZINC000028118532	561904244	/nfs/dbraw/zinc/90/42/44/561904244.db2.gz	QCIDDKUNTHOJBT-BZIJJRLISA-N	0	0	502.648	2.538	1	0		KFAFRN
COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)cc1	ZINC000028120056	561904319	/nfs/dbraw/zinc/90/43/19/561904319.db2.gz	NXODIUKWAVUFGF-INIZCTEOSA-N	0	0	539.653	2.980	1	0		KFAFRN
CO[C@@H]1[C@H](O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1n1ccc(N)nc1=O	ZINC000028125386	561904918	/nfs/dbraw/zinc/90/49/18/561904918.db2.gz	GPCLKTKXWFQGPV-NXWXRZEISA-N	0	0	625.703	2.869	1	0		KFAFRN
CO[C@@H]1[C@H](O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000028126958	561905095	/nfs/dbraw/zinc/90/50/95/561905095.db2.gz	FLLQQHLQLHXJSC-WVSUBDOOSA-N	0	0	665.728	2.745	1	0		KFAFRN
CN1CCN(N=c2[nH]c(-c3ccc(C(=O)NC4(C(=O)N[C@@H]5C(=O)N[C@H]5Oc5ccccc5)CCCCC4)cc3)cs2)CC1	ZINC000028131481	561905792	/nfs/dbraw/zinc/90/57/92/561905792.db2.gz	MCXSVTUWNBWVKQ-NAKRPHOHSA-N	0	0	603.749	2.837	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1	ZINC000028131888	561905819	/nfs/dbraw/zinc/90/58/19/561905819.db2.gz	KHXWGZGVODXABJ-ARNLJNQMSA-N	0	0	504.631	2.938	1	0		KFAFRN
CN1CCN(N=c2[nH]c(-c3ccc(C(=O)NC4(C(=O)N[C@@H]5C(=O)N[C@@H]5Oc5ccccc5)CCCCC4)cc3)cs2)CC1	ZINC000028135753	561906595	/nfs/dbraw/zinc/90/65/95/561906595.db2.gz	MCXSVTUWNBWVKQ-LEAFIULHSA-N	0	0	603.749	2.837	1	0		KFAFRN
CCCCCC[N@H+](C)CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028136084	561906604	/nfs/dbraw/zinc/90/66/04/561906604.db2.gz	XIMITGPWYYFUQF-TZIWHRDSSA-N	0	0	575.711	2.836	1	0	in-vitro	KFAFRN
O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1	ZINC000028223675	561907622	/nfs/dbraw/zinc/90/76/22/561907622.db2.gz	LDEGMIZGQNMJOM-KAYWLYCHSA-N	0	0	529.622	2.970	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	ZINC000028225478	561907870	/nfs/dbraw/zinc/90/78/70/561907870.db2.gz	QLWQNHIFCXMHJH-BIVYAJRUSA-N	0	0	572.634	2.564	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CN1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000028231556	561909156	/nfs/dbraw/zinc/90/91/56/561909156.db2.gz	OXJIUAIPRUPWOS-KHBQZPANSA-N	0	0	621.735	2.684	1	0		KFAFRN
CC(C)CC(=O)NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000028232458	561909398	/nfs/dbraw/zinc/90/93/98/561909398.db2.gz	JWAFWUAKQKLORR-FWEHEUNISA-N	0	0	614.788	2.627	1	0		KFAFRN
O=C([O-])CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CC[NH2+]CC1)C(=O)c1nccs1	ZINC000028236697	561909805	/nfs/dbraw/zinc/90/98/05/561909805.db2.gz	QFBJIZXHKQTLTR-NXCFDTQHSA-N	0	0	597.782	2.941	1	0		KFAFRN
O=C([O-])CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC1CC[NH2+]CC1)C(=O)c1nccs1	ZINC000028236703	561909779	/nfs/dbraw/zinc/90/97/79/561909779.db2.gz	QFBJIZXHKQTLTR-CYXNTTPDSA-N	0	0	597.782	2.941	1	0		KFAFRN
CCN(CC)C(=[NH2+])NCCC[C@H](C(=O)[O-])N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000028241478	561910455	/nfs/dbraw/zinc/91/04/55/561910455.db2.gz	BMQUKGROQNIQML-OAQYLSRUSA-N	0	0	534.635	2.714	1	0		KFAFRN
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)N1	ZINC000028249192	561910876	/nfs/dbraw/zinc/91/08/76/561910876.db2.gz	AUGQDSIXPNFBJS-CNNODRBYSA-N	0	0	513.616	2.905	1	0		KFAFRN
COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)N1	ZINC000028253701	561911298	/nfs/dbraw/zinc/91/12/98/561911298.db2.gz	AUGQDSIXPNFBJS-XQBPLPMBSA-N	0	0	513.616	2.905	1	0		KFAFRN
CCCCOP(=O)(N[C@@H](CNC(=O)C[C@@H]1CC(c2ccc(C(N)=[NH2+])cc2)=NO1)C(=O)[O-])OCCCC	ZINC000028256538	561911539	/nfs/dbraw/zinc/91/15/39/561911539.db2.gz	HYGDDAZDWVFISI-ICSRJNTNSA-N	0	0	525.543	2.754	1	0		KFAFRN
CCCCOP(=O)(N[C@H](CNC(=O)C[C@@H]1CC(c2ccc(C(N)=[NH2+])cc2)=NO1)C(=O)[O-])OCCCC	ZINC000028256544	561911541	/nfs/dbraw/zinc/91/15/41/561911541.db2.gz	HYGDDAZDWVFISI-AZUAARDMSA-N	0	0	525.543	2.754	1	0		KFAFRN
Nc1ccc2oc(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cn3c(=O)c(N)cnc3-c3ccc(F)cc3)nc2c1	ZINC000028265576	561912563	/nfs/dbraw/zinc/91/25/63/561912563.db2.gz	MNXFNUVFNQKSTM-JOCHJYFZSA-N	0	0	526.528	2.965	1	0		KFAFRN
Nc1ccc2oc(C(=O)[C@H](Cc3ccccc3)NC(=O)Cn3c(=O)c(N)cnc3-c3ccc(F)cc3)nc2c1	ZINC000028265582	561912551	/nfs/dbraw/zinc/91/25/51/561912551.db2.gz	MNXFNUVFNQKSTM-QFIPXVFZSA-N	0	0	526.528	2.965	1	0		KFAFRN
COC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc2cc3c(cc2c1)Cn1c-3cccc1=O	ZINC000028265727	561912588	/nfs/dbraw/zinc/91/25/88/561912588.db2.gz	AXCBPMKYHBISRK-KYJUHHDHSA-N	0	0	680.762	2.699	1	0		KFAFRN
COC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc2cc3c(cc2c1)Cn1c-3cccc1=O	ZINC000028265732	561912723	/nfs/dbraw/zinc/91/27/23/561912723.db2.gz	AXCBPMKYHBISRK-XZWHSSHBSA-N	0	0	680.762	2.699	1	0		KFAFRN
CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000028340213	561913857	/nfs/dbraw/zinc/91/38/57/561913857.db2.gz	DOQXGQVRPIRXJG-RRPNLBNLSA-N	0	0	596.153	2.802	1	0		KFAFRN
COc1cc(CC(=O)N2CCC[C@@H]2CN2CC[NH+](CC(=O)[O-])CC2)ccc1NC(=O)Nc1ccccc1C	ZINC000028343818	561914515	/nfs/dbraw/zinc/91/45/15/561914515.db2.gz	GCTCMPMLQFPTJM-JOCHJYFZSA-N	0	0	523.634	2.883	1	0		KFAFRN
COc1cc(CC(=O)N2CCC[C@H]2CN2CC[NH+](CC(=O)[O-])CC2)ccc1NC(=O)Nc1ccccc1C	ZINC000028343825	561914484	/nfs/dbraw/zinc/91/44/84/561914484.db2.gz	GCTCMPMLQFPTJM-QFIPXVFZSA-N	0	0	523.634	2.883	1	0		KFAFRN
CN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1)S(C)(=O)=O	ZINC000028344418	561914607	/nfs/dbraw/zinc/91/46/07/561914607.db2.gz	LYGQYNYQKUZRDU-RRPNLBNLSA-N	0	0	610.180	2.826	1	0		KFAFRN
COc1ccc(CN(C)c2nc(NCCO)nc3c2nc(NCCO)nc3N(C)Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000028345554	561914841	/nfs/dbraw/zinc/91/48/41/561914841.db2.gz	LJQIGGWGQDKVPV-UHFFFAOYSA-N	0	0	608.700	2.535	1	0		KFAFRN
C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)[S@@](C)=O)C(C)(C)c1ccccc1	ZINC000028347817	561915174	/nfs/dbraw/zinc/91/51/74/561915174.db2.gz	HAKROMHHTYVPIY-BAMNWTJJSA-N	0	0	521.724	2.708	1	0		KFAFRN
C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)[S@](C)=O)C(C)(C)c1ccccc1	ZINC000028347825	561915184	/nfs/dbraw/zinc/91/51/84/561915184.db2.gz	HAKROMHHTYVPIY-YFBVJFJYSA-N	0	0	521.724	2.708	1	0		KFAFRN
COc1ccc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@]4(C)C(=O)[C@@]5(OC)C(=O)O[C@]4(CC[C@@]2(C)O3)C5(C)C)cc1	ZINC000028348086	561915195	/nfs/dbraw/zinc/91/51/95/561915195.db2.gz	AOFMVUCAUSHJLI-RKFAPSRVSA-N	0	0	510.539	2.830	1	0		KFAFRN
COCCN(CCOC)c1nc2c(nc(N(CCOC)CCOC)nc2N2CCCCC2)c(N2CCCCC2)n1	ZINC000028348405	561915310	/nfs/dbraw/zinc/91/53/10/561915310.db2.gz	GDAALJDXRYUSDN-UHFFFAOYSA-N	0	0	560.744	2.599	1	0		KFAFRN
CCOC(=O)c1sc([N-]c2nc3c(c(N4CC[NH2+]CC4)n2)CCN3Cc2ccc(S(C)(=O)=O)cc2)nc1C	ZINC000028349819	561915327	/nfs/dbraw/zinc/91/53/27/561915327.db2.gz	SQHSWJMKBZBAIA-UHFFFAOYSA-N	0	0	557.702	2.538	1	0		KFAFRN
NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCNC(=O)c2ccc(Br)cc2)cc1	ZINC000028351311	561915494	/nfs/dbraw/zinc/91/54/94/561915494.db2.gz	KCQNMCMZENXFCA-UHFFFAOYSA-N	0	0	502.390	2.923	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1	ZINC000028353088	561915804	/nfs/dbraw/zinc/91/58/04/561915804.db2.gz	MMCFWOPLWHFLMT-UHFFFAOYSA-N	0	0	514.652	2.799	1	0		KFAFRN
CCOC(=O)c1sc([N-]c2nc3c(c(N4CC[NH2+]CC4)n2)CCCN3Cc2ccc(S(C)(=O)=O)cc2)nc1C	ZINC000028354969	561916088	/nfs/dbraw/zinc/91/60/88/561916088.db2.gz	ZPKRUGWZEIVUJH-UHFFFAOYSA-N	0	0	571.729	2.928	1	0		KFAFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCC[n+]4cccc([O-])c4)cc2cc1C3	ZINC000028359470	561916558	/nfs/dbraw/zinc/91/65/58/561916558.db2.gz	LOOPEEQXAXKFSZ-NDEPHWFRSA-O	0	0	500.531	2.542	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000028359702	561916567	/nfs/dbraw/zinc/91/65/67/561916567.db2.gz	WRKKDKVSSULHSU-DMYMTROSSA-N	0	0	735.931	2.553	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000028359717	561916577	/nfs/dbraw/zinc/91/65/77/561916577.db2.gz	WRKKDKVSSULHSU-UDYKOWIDSA-N	0	0	735.931	2.553	1	0		KFAFRN
NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCNS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)cc1	ZINC000028360228	561916772	/nfs/dbraw/zinc/91/67/72/561916772.db2.gz	JUXBZIWRJRQFTA-UHFFFAOYSA-N	0	0	533.031	2.844	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](CSC)C(=O)OCCCCCn3cc(F)c(=O)[nH]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028362086	561916883	/nfs/dbraw/zinc/91/68/83/561916883.db2.gz	HEDXKBRXTTYQFJ-YUDWXHTHSA-N	0	0	715.753	2.838	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](CSC)C(=O)OCCCCCn3cc(F)c(=O)[nH]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028362094	561916892	/nfs/dbraw/zinc/91/68/92/561916892.db2.gz	HEDXKBRXTTYQFJ-VDBPBVFISA-N	0	0	715.753	2.838	1	0		KFAFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCC[n+]4cccc(C(=O)[O-])c4)cc2cc1C3	ZINC000028363520	561917180	/nfs/dbraw/zinc/91/71/80/561917180.db2.gz	NANXFAOSAFIXKX-LJAQVGFWSA-O	0	0	528.541	2.534	1	0		KFAFRN
CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C[C@@H]([NH3+])Cc2cc(F)ccc2F)cc1)C(=O)[O-]	ZINC000028367125	561917694	/nfs/dbraw/zinc/91/76/94/561917694.db2.gz	GKMOQWBWMMGWKN-APTRMMRNSA-N	0	0	535.613	2.931	1	0		KFAFRN
CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C[C@H]([NH3+])Cc2cc(F)ccc2F)cc1)C(=O)[O-]	ZINC000028367131	561917690	/nfs/dbraw/zinc/91/76/90/561917690.db2.gz	GKMOQWBWMMGWKN-UCFCWBNQSA-N	0	0	535.613	2.931	1	0		KFAFRN
C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1	ZINC000028367245	561917843	/nfs/dbraw/zinc/91/78/43/561917843.db2.gz	LTYVUHJPBORWCJ-KAOXLYBCSA-N	0	0	530.710	2.642	1	0		KFAFRN
OCCN(CCO)c1nc(NCc2ccc(Cl)cc2)c2nc(N(CCO)CCO)nc(NCc3ccc(Cl)cc3)c2n1	ZINC000028369030	561918063	/nfs/dbraw/zinc/91/80/63/561918063.db2.gz	LHWKBDVEHFXOFH-UHFFFAOYSA-N	0	0	617.538	2.533	1	0		KFAFRN
C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1	ZINC000028369443	561918064	/nfs/dbraw/zinc/91/80/64/561918064.db2.gz	KEQRNTVHTPHPFB-HAQYIRPYSA-N	0	0	586.774	2.559	1	0		KFAFRN
C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1	ZINC000028369449	561918076	/nfs/dbraw/zinc/91/80/76/561918076.db2.gz	KEQRNTVHTPHPFB-MDKNNQRUSA-N	0	0	586.774	2.559	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](Cc3ccccc3)C(=O)OCCCn3cc(F)c(=O)[nH]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028370934	561918284	/nfs/dbraw/zinc/91/82/84/561918284.db2.gz	SACSSTSWISHVBP-LWMTVGAJSA-N	0	0	717.703	2.937	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](Cc3ccccc3)C(=O)OCCCn3cc(F)c(=O)[nH]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028370941	561918273	/nfs/dbraw/zinc/91/82/73/561918273.db2.gz	SACSSTSWISHVBP-BSKKKTDXSA-N	0	0	717.703	2.937	1	0		KFAFRN
CC(C)N1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(N)=O)sc2C1	ZINC000028372192	561918473	/nfs/dbraw/zinc/91/84/73/561918473.db2.gz	CMOYEJVVBMGXBB-OAQYLSRUSA-N	0	0	562.117	2.717	1	0		KFAFRN
CC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cn1)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1	ZINC000028378581	561919686	/nfs/dbraw/zinc/91/96/86/561919686.db2.gz	HWUCCXAQAKVYMC-IBGZPJMESA-N	0	0	560.430	2.631	1	0		KFAFRN
CC(=O)N[C@H](CC(=O)Nc1ccc(Br)cn1)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1	ZINC000028378589	561919677	/nfs/dbraw/zinc/91/96/77/561919677.db2.gz	HWUCCXAQAKVYMC-LJQANCHMSA-N	0	0	560.430	2.631	1	0		KFAFRN
O=C([O-])CC[NH2+]Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1	ZINC000028379501	561919881	/nfs/dbraw/zinc/91/98/81/561919881.db2.gz	QHORZWWWRAJLGS-FQLXRVMXSA-N	0	0	604.151	2.995	1	0		KFAFRN
NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCC2)cc1	ZINC000028380795	561920157	/nfs/dbraw/zinc/92/01/57/561920157.db2.gz	HCWQCNYFXDFIFZ-NRFANRHFSA-N	0	0	600.495	2.908	1	0		KFAFRN
NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCC2)cc1	ZINC000028380803	561920153	/nfs/dbraw/zinc/92/01/53/561920153.db2.gz	HCWQCNYFXDFIFZ-OAQYLSRUSA-N	0	0	600.495	2.908	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)NC(C)(C)C	ZINC000028382414	561920390	/nfs/dbraw/zinc/92/03/90/561920390.db2.gz	CGFVYUGIPISJQG-MZYLBHOOSA-N	0	0	527.687	2.997	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)NC(C)(C)C	ZINC000028382428	561920369	/nfs/dbraw/zinc/92/03/69/561920369.db2.gz	CGFVYUGIPISJQG-PUHATCMVSA-N	0	0	527.687	2.997	1	0		KFAFRN
COc1ccc(N(C(=O)NC(C)C)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1	ZINC000028385272	561920927	/nfs/dbraw/zinc/92/09/27/561920927.db2.gz	UUKGQJQFTRLAHY-IBGZPJMESA-N	0	0	508.623	2.983	1	0		KFAFRN
COc1ccc(N(C(=O)NC(C)C)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1	ZINC000028385279	561921004	/nfs/dbraw/zinc/92/10/04/561921004.db2.gz	UUKGQJQFTRLAHY-LJQANCHMSA-N	0	0	508.623	2.983	1	0		KFAFRN
COc1cc2nc(N3CCN(S(=O)(=O)c4cccc5c4cccc5N(C)C)CC3)nc(N)c2cc1OC	ZINC000028387844	561921476	/nfs/dbraw/zinc/92/14/76/561921476.db2.gz	MWBAIIIINMFKRP-UHFFFAOYSA-N	0	0	522.631	2.959	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000028388683	561921821	/nfs/dbraw/zinc/92/18/21/561921821.db2.gz	GTFAKIPDKMDOBK-CBCDGECBSA-N	0	0	693.890	2.836	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000028388697	561921758	/nfs/dbraw/zinc/92/17/58/561921758.db2.gz	GTFAKIPDKMDOBK-AOOIEDKISA-N	0	0	693.890	2.836	1	0		KFAFRN
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O	ZINC000028393112	561922609	/nfs/dbraw/zinc/92/26/09/561922609.db2.gz	JWEUAXYYHBPUQY-SIZHRBNOSA-N	0	0	610.674	2.825	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCSCC(=O)C(F)(F)F)NC(=O)[C@H]2CCCN2C1=O	ZINC000028393745	561922796	/nfs/dbraw/zinc/92/27/96/561922796.db2.gz	ZCQUKODSCJWNBV-GXCCDKSUSA-N	0	0	642.741	2.778	1	0		KFAFRN
CNC(=O)NCCCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)cc1	ZINC000028394517	561922872	/nfs/dbraw/zinc/92/28/72/561922872.db2.gz	FCISWJSJPCZXOE-OLNQLETPSA-N	0	0	720.842	2.610	1	0		KFAFRN
COc1ccc(-c2cnn(-c3nc4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c(NCc4cccc(I)c4)n3)c2)cc1	ZINC000028395220	561922953	/nfs/dbraw/zinc/92/29/53/561922953.db2.gz	LHHKPNOHZCRPQI-HUBRGWSESA-N	0	0	655.453	2.516	1	0		KFAFRN
COc1ccc(-c2cnn(-c3nc4c(ncn4[C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c(NCc4cccc(I)c4)n3)c2)cc1	ZINC000028395229	561922889	/nfs/dbraw/zinc/92/28/89/561922889.db2.gz	LHHKPNOHZCRPQI-DNRBGDKYSA-N	0	0	655.453	2.516	1	0		KFAFRN
COc1cc2nc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4)CC3)nc(N)c2cc1OC	ZINC000028395877	561923021	/nfs/dbraw/zinc/92/30/21/561923021.db2.gz	DBGGSRFBFIWUMC-UHFFFAOYSA-N	0	0	583.692	2.811	1	0		KFAFRN
COc1cc2nc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)nc(N)c2cc1OC	ZINC000028397568	561923236	/nfs/dbraw/zinc/92/32/36/561923236.db2.gz	OPCKROMCRWVWDH-UHFFFAOYSA-N	0	0	513.498	2.639	1	0		KFAFRN
C[NH2+]CC(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1	ZINC000028455929	561923656	/nfs/dbraw/zinc/92/36/56/561923656.db2.gz	NHSSCFOUQITCGZ-ZNATVVAESA-N	0	0	530.710	2.713	1	0		KFAFRN
COC(=O)NCCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)cc1	ZINC000028456758	561923989	/nfs/dbraw/zinc/92/39/89/561923989.db2.gz	SJXSVGWSFSBANZ-JIPUOCAHSA-N	0	0	707.799	2.647	1	0		KFAFRN
CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc([N-]S(=O)(=O)CC(F)(F)F)c3)c[nH]c21	ZINC000028458331	561924438	/nfs/dbraw/zinc/92/44/38/561924438.db2.gz	YKDNWJYCZMTUOT-SFHVURJKSA-N	0	0	519.567	2.741	1	0		KFAFRN
COc1cc2nc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nc(N)c2cc1OC	ZINC000028458403	561924424	/nfs/dbraw/zinc/92/44/24/561924424.db2.gz	DXFBJNQCUYMCQZ-UHFFFAOYSA-N	0	0	508.398	2.503	1	0		KFAFRN
CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)C	ZINC000028458922	561924651	/nfs/dbraw/zinc/92/46/51/561924651.db2.gz	LVNIPNSGVDFGFP-XROHALNKSA-N	0	0	568.715	2.822	1	0		KFAFRN
CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)C	ZINC000028458928	561924657	/nfs/dbraw/zinc/92/46/57/561924657.db2.gz	LVNIPNSGVDFGFP-KOMOQGMXSA-N	0	0	568.715	2.822	1	0		KFAFRN
Cn1cc(NC(=O)c2ccc(NC(=O)c3nc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)nc1C(=O)NCCN1CCOCC1	ZINC000028459056	561924642	/nfs/dbraw/zinc/92/46/42/561924642.db2.gz	LTXNJFQMNOUIAI-UHFFFAOYSA-N	0	0	650.700	2.521	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCCCNC(=O)N(C)C)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000028459152	561924654	/nfs/dbraw/zinc/92/46/54/561924654.db2.gz	OSLLIHMXEIQVHX-OLNQLETPSA-N	0	0	720.842	2.562	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCCCCNC(=O)N(C)C)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000028459169	561924655	/nfs/dbraw/zinc/92/46/55/561924655.db2.gz	BKTCVOKFYZALLN-MSUBEGKCSA-N	0	0	734.869	2.952	1	0		KFAFRN
CC(=O)NCCCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)cc1	ZINC000028459194	561924650	/nfs/dbraw/zinc/92/46/50/561924650.db2.gz	PEZLFNVBUFKFBB-MSUBEGKCSA-N	0	0	705.827	2.817	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc(C(=O)N3CCC[C@H]3C(=O)N3CCCC3)c2)CC1	ZINC000028459843	561924770	/nfs/dbraw/zinc/92/47/70/561924770.db2.gz	HEULOFYLOQVHPW-DQEYMECFSA-N	0	0	581.714	2.598	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)CC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C	ZINC000028460892	561925155	/nfs/dbraw/zinc/92/51/55/561925155.db2.gz	UXNIFTCWMPGHCU-LNUNKSFHSA-N	0	0	640.778	2.625	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C	ZINC000028461093	561925102	/nfs/dbraw/zinc/92/51/02/561925102.db2.gz	OXOWOCPFNWAZKE-DUWCPVRDSA-N	0	0	654.805	2.871	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)OC2CCCC2)cc1	ZINC000028461172	561925156	/nfs/dbraw/zinc/92/51/56/561925156.db2.gz	HGAIYDOVRVFWKX-XKKJXBDVSA-N	0	0	703.818	2.871	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)OC2CCCC2)cc1	ZINC000028461175	561925169	/nfs/dbraw/zinc/92/51/69/561925169.db2.gz	HGAIYDOVRVFWKX-CEUYOYMZSA-N	0	0	703.818	2.871	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@H](C(=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O	ZINC000028464873	561926019	/nfs/dbraw/zinc/92/60/19/561926019.db2.gz	YBVNNKHLQUZXTL-DDEUFHSZSA-N	0	0	666.676	2.752	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(CO)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C	ZINC000028466297	561926270	/nfs/dbraw/zinc/92/62/70/561926270.db2.gz	YFFWLVHQZDPHKC-JVZUVRLPSA-N	0	0	668.692	2.544	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(-c2ccsc2)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O	ZINC000028466325	561926277	/nfs/dbraw/zinc/92/62/77/561926277.db2.gz	BIXULWMVWDYEGF-HCFKQQSISA-N	0	0	708.882	2.538	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(-c2ccsc2)c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O	ZINC000028466956	561926290	/nfs/dbraw/zinc/92/62/90/561926290.db2.gz	KRMVRQTVFPNOPS-HCFKQQSISA-N	0	0	708.882	2.538	1	0		KFAFRN
CCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000028473759	561927378	/nfs/dbraw/zinc/92/73/78/561927378.db2.gz	PDMJXGTWNFUAHY-STTADNJNSA-N	0	0	641.920	2.504	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O	ZINC000028477991	561928644	/nfs/dbraw/zinc/92/86/44/561928644.db2.gz	NLHSGWOPXYSHIR-XLIKFSOKSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000028478196	561928827	/nfs/dbraw/zinc/92/88/27/561928827.db2.gz	FTEJTXDBHVJDSS-XLIKFSOKSA-N	0	0	599.817	2.803	1	0		KFAFRN
NC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2nn[nH]c(=O)c12	ZINC000028520335	561928792	/nfs/dbraw/zinc/92/87/92/561928792.db2.gz	MBLGYEVCFWMEPX-UQCYUJMQSA-N	0	0	623.578	2.836	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O	ZINC000028520424	561928778	/nfs/dbraw/zinc/92/87/78/561928778.db2.gz	PLPPAFQUTLZGQM-XLIKFSOKSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000028520428	561928946	/nfs/dbraw/zinc/92/89/46/561928946.db2.gz	NPNYOIOLYWFCNP-XLIKFSOKSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000028521559	561929251	/nfs/dbraw/zinc/92/92/51/561929251.db2.gz	KOONXZNSPIVCFO-XLIKFSOKSA-N	0	0	599.817	2.803	1	0		KFAFRN
COc1ccc(CNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)CNC(=O)c2cccc(I)c2)cc1	ZINC000028523109	561929866	/nfs/dbraw/zinc/92/98/66/561929866.db2.gz	DDPUPDYFHDWQRO-UHFFFAOYSA-N	0	0	642.494	2.534	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(nc3ccc(Br)c(C)n32)c(=O)[nH]1	ZINC000028523160	561929999	/nfs/dbraw/zinc/92/99/99/561929999.db2.gz	SYJKTEZKCOXGJR-UHFFFAOYSA-N	0	0	561.462	2.644	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N)oc2c1	ZINC000028523403	561930120	/nfs/dbraw/zinc/93/01/20/561930120.db2.gz	UQSCOEMTMKHABW-OECXIXJESA-N	0	0	588.683	2.517	1	0		KFAFRN
CNc1nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc2o1	ZINC000028523495	561930171	/nfs/dbraw/zinc/93/01/71/561930171.db2.gz	FPBRNORXTMGALG-DWMPUDJYSA-N	0	0	602.710	2.976	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N)sc2c1	ZINC000028523995	561930634	/nfs/dbraw/zinc/93/06/34/561930634.db2.gz	PIQTXGOSTDFKPF-NCDPBEIOSA-N	0	0	604.751	2.985	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1-c1nc2c(nc3cccc(C)n32)c(=O)[nH]1	ZINC000028525379	561931196	/nfs/dbraw/zinc/93/11/96/561931196.db2.gz	HZBIYAYMRFNKDR-UHFFFAOYSA-N	0	0	510.620	2.660	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cccc2ccccc21)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000028525766	561931628	/nfs/dbraw/zinc/93/16/28/561931628.db2.gz	AWEFNCACPBKWGG-ZEQRLZLVSA-N	0	0	536.654	2.918	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O)c1cc2ccccc2o1	ZINC000028525822	561931617	/nfs/dbraw/zinc/93/16/17/561931617.db2.gz	VGIWPEJPLFVKSL-GOTSBHOMSA-N	0	0	560.632	2.708	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C	ZINC000028526050	561931823	/nfs/dbraw/zinc/93/18/23/561931823.db2.gz	CSNQHKJCKPMZCY-YFUAOJPXSA-N	0	0	558.676	2.799	1	0	in-vitro	KFAFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000028526561	561932182	/nfs/dbraw/zinc/93/21/82/561932182.db2.gz	WHZOYUVTLFMYFT-TWJOJJKGSA-N	0	0	539.698	2.813	1	0		KFAFRN
COc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)c(S(=O)(=O)c2ccccc2)c1	ZINC000028527173	561932374	/nfs/dbraw/zinc/93/23/74/561932374.db2.gz	YZPZNLYQAPZKOJ-INIZCTEOSA-N	0	0	509.627	2.971	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(S(C)(=O)=O)cc1	ZINC000028527217	561932410	/nfs/dbraw/zinc/93/24/10/561932410.db2.gz	WHZOYUVTLFMYFT-CYXNTTPDSA-N	0	0	539.698	2.813	1	0		KFAFRN
COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@@H](C)NS(C)(=O)=O)cc2)cc1	ZINC000028527798	561932649	/nfs/dbraw/zinc/93/26/49/561932649.db2.gz	NXODIUKWAVUFGF-MRXNPFEDSA-N	0	0	539.653	2.980	1	0		KFAFRN
COc1cc(-c2cc(SC)n(-c3nc(NCCCN4CCOCC4)nc(NCCCN4CCOCC4)n3)n2)cc(OC)c1OC	ZINC000028528856	561933418	/nfs/dbraw/zinc/93/34/18/561933418.db2.gz	AFZFFVNESNGXQI-UHFFFAOYSA-N	0	0	643.815	2.740	1	0		KFAFRN
CS(=O)(=O)N1CCc2c(cccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1	ZINC000028528958	561933539	/nfs/dbraw/zinc/93/35/39/561933539.db2.gz	SJJGDSBKOFFGTB-LOYHVIPDSA-N	0	0	636.218	2.748	1	0		KFAFRN
COc1ccc(-c2cc(SC)n(-c3nc(NCCCN4CCOCC4)nc(NCCCN4CCOCC4)n3)n2)cc1OC	ZINC000028528974	561933570	/nfs/dbraw/zinc/93/35/70/561933570.db2.gz	RCYDAJPHGLGZAA-UHFFFAOYSA-N	0	0	613.789	2.732	1	0		KFAFRN
O=C([C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NC2CC2)[C@H](O)[C@@H]1O)N1CCC(Cc2ccccc2)CC1	ZINC000028564053	561935496	/nfs/dbraw/zinc/93/54/96/561935496.db2.gz	RFPVCFSZJLLPQD-CMCWBKRRSA-N	0	0	529.066	2.871	1	0		KFAFRN
O=C(NCC1CC1)[C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000028564195	561935638	/nfs/dbraw/zinc/93/56/38/561935638.db2.gz	UITITPRUOJYYPF-KSVNGYGVSA-N	0	0	600.870	2.558	1	0		KFAFRN
O=C(NC1CCC1)[C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000028564201	561935586	/nfs/dbraw/zinc/93/55/86/561935586.db2.gz	YUOKEETUCXPRGI-KSVNGYGVSA-N	0	0	600.870	2.701	1	0		KFAFRN
CCCn1c2cc(-c3ccc(OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O	ZINC000028566413	561936401	/nfs/dbraw/zinc/93/64/01/561936401.db2.gz	VZHJMDCXOPDMTI-UHFFFAOYSA-N	0	0	539.614	2.643	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1	ZINC000028566432	561936383	/nfs/dbraw/zinc/93/63/83/561936383.db2.gz	ATNKVOYJWNCVQT-NNQVWQPBSA-N	0	0	742.915	2.558	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1	ZINC000028566435	561936404	/nfs/dbraw/zinc/93/64/04/561936404.db2.gz	ATNKVOYJWNCVQT-YNIOVBOTSA-N	0	0	742.915	2.558	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)c4ccc(C(=O)OCC)cc4)nn3)nc2c(=O)n(CCC)c1=O	ZINC000028567497	561936652	/nfs/dbraw/zinc/93/66/52/561936652.db2.gz	QSJLXZWSNFMWSF-UHFFFAOYSA-N	0	0	520.546	2.602	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)OCc1ccccc1	ZINC000028567635	561936788	/nfs/dbraw/zinc/93/67/88/561936788.db2.gz	MXLMCJDWRDDYKD-MZZRCDJFSA-N	0	0	718.848	2.776	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCC(=O)c4ccc(I)cc4)n(C)n3)nc2c(=O)n(CCC)c1=O	ZINC000028567805	561936996	/nfs/dbraw/zinc/93/69/96/561936996.db2.gz	ZDQNNVOXYCDLRR-UHFFFAOYSA-N	0	0	576.395	2.973	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCC(=O)c4ccc(C(=O)OCC)cc4)nn3C)nc2c(=O)n(CCC)c1=O	ZINC000028567853	561937006	/nfs/dbraw/zinc/93/70/06/561937006.db2.gz	BWSHNHONBPSTAX-UHFFFAOYSA-N	0	0	522.562	2.545	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCC(=O)c4ccc(I)cc4)nn3C)nc2c(=O)n(CCC)c1=O	ZINC000028567854	561937013	/nfs/dbraw/zinc/93/70/13/561937013.db2.gz	VGYGLHLDKUJFHN-UHFFFAOYSA-N	0	0	576.395	2.973	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCC(=O)c4ccc(C(=O)OCC)cc4)n(C)n3)nc2c(=O)n(CCC)c1=O	ZINC000028567915	561937001	/nfs/dbraw/zinc/93/70/01/561937001.db2.gz	PWYIETJDRCJYLI-UHFFFAOYSA-N	0	0	522.562	2.545	1	0		KFAFRN
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(CC(=O)NCc3ccc(C(N)=[NH2+])cc3)c2O)cc1OC	ZINC000028569596	561938326	/nfs/dbraw/zinc/93/83/26/561938326.db2.gz	WGULUTNCVAQTPD-UHFFFAOYSA-N	0	0	512.588	2.662	1	0		KFAFRN
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1	ZINC000028570721	561939024	/nfs/dbraw/zinc/93/90/24/561939024.db2.gz	XMVRQCIUVHYAHY-UHFFFAOYSA-N	0	0	521.599	2.656	1	0		KFAFRN
O[C@](Cn1cncn1)(CN1CCN(Cc2cccc(I)c2)CC1)c1ccc(F)cc1F	ZINC000028571045	561939120	/nfs/dbraw/zinc/93/91/20/561939120.db2.gz	RAFKXEPCOMBLFS-QFIPXVFZSA-N	0	0	539.368	2.867	1	0		KFAFRN
O[C@@](Cn1cncn1)(CN1CCN(Cc2cccc(I)c2)CC1)c1ccc(F)cc1F	ZINC000028571046	561939127	/nfs/dbraw/zinc/93/91/27/561939127.db2.gz	RAFKXEPCOMBLFS-JOCHJYFZSA-N	0	0	539.368	2.867	1	0		KFAFRN
CC[C@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@@H]1O	ZINC000028571198	561939302	/nfs/dbraw/zinc/93/93/02/561939302.db2.gz	NWUVYAAEXDXAHP-KIOLCULGSA-N	0	0	556.685	2.923	1	0		KFAFRN
CC[C@H](NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@H]1O	ZINC000028571199	561939304	/nfs/dbraw/zinc/93/93/04/561939304.db2.gz	NWUVYAAEXDXAHP-DUJYATCESA-N	0	0	556.685	2.923	1	0		KFAFRN
CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@@H]1O	ZINC000028571522	561939417	/nfs/dbraw/zinc/93/94/17/561939417.db2.gz	AHEDBTSELMBNTN-ZVOVDXHFSA-N	0	0	556.685	2.923	1	0		KFAFRN
CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@H]1O	ZINC000028571523	561939418	/nfs/dbraw/zinc/93/94/18/561939418.db2.gz	AHEDBTSELMBNTN-HEKZAOSPSA-N	0	0	556.685	2.923	1	0		KFAFRN
CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1)C1CCCCC1	ZINC000028571586	561939402	/nfs/dbraw/zinc/93/94/02/561939402.db2.gz	YAPCTVNKWVWBJJ-ATVIEFTBSA-N	0	0	724.900	2.518	1	0		KFAFRN
CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1)C1CCCCC1	ZINC000028571587	561939369	/nfs/dbraw/zinc/93/93/69/561939369.db2.gz	YAPCTVNKWVWBJJ-DAVXFYPISA-N	0	0	724.900	2.518	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@@H]1O	ZINC000028571719	561939494	/nfs/dbraw/zinc/93/94/94/561939494.db2.gz	DSYDMMPAZVEHMK-KRCPDPBWSA-N	0	0	542.658	2.533	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCO[C@H]1O	ZINC000028571720	561939518	/nfs/dbraw/zinc/93/95/18/561939518.db2.gz	DSYDMMPAZVEHMK-NMXRWFTMSA-N	0	0	542.658	2.533	1	0		KFAFRN
CC(C)COC(=O)N[C@H](C(=O)N(C)[C@@H](CC1CC1)C(=O)N[C@@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1)C1CCCCC1	ZINC000028571882	561939684	/nfs/dbraw/zinc/93/96/84/561939684.db2.gz	ZPKDOCXSELIIGV-ULDMLYOQSA-N	0	0	738.927	2.861	1	0		KFAFRN
CC(C)COC(=O)N[C@H](C(=O)N(C)[C@@H](CC1CC1)C(=O)N[C@H](CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1)C1CCCCC1	ZINC000028571883	561939661	/nfs/dbraw/zinc/93/96/61/561939661.db2.gz	ZPKDOCXSELIIGV-DRWBPFAOSA-N	0	0	738.927	2.861	1	0		KFAFRN
O[C@](Cn1cncn1)(CN1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1F	ZINC000028572189	561939780	/nfs/dbraw/zinc/93/97/80/561939780.db2.gz	ZCMADSCTBVVTRQ-QFIPXVFZSA-N	0	0	539.368	2.867	1	0		KFAFRN
O[C@@](Cn1cncn1)(CN1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1F	ZINC000028572190	561939744	/nfs/dbraw/zinc/93/97/44/561939744.db2.gz	ZCMADSCTBVVTRQ-JOCHJYFZSA-N	0	0	539.368	2.867	1	0		KFAFRN
CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)c2ccno2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1	ZINC000028572260	561939871	/nfs/dbraw/zinc/93/98/71/561939871.db2.gz	NGSRRUWCODUIPK-PLMTUMEDSA-N	0	0	512.563	2.783	1	0		KFAFRN
COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(CCc2c[nH]cn2)C(=O)[C@@]1(C)c1cccc2ccccc21	ZINC000028572339	561940023	/nfs/dbraw/zinc/94/00/23/561940023.db2.gz	RXGRTVPDLCLHHK-WXVAWEFUSA-N	0	0	537.642	2.696	1	0		KFAFRN
COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(CCc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc21	ZINC000028572340	561940040	/nfs/dbraw/zinc/94/00/40/561940040.db2.gz	RXGRTVPDLCLHHK-CUNXSJBXSA-N	0	0	537.642	2.696	1	0		KFAFRN
CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)c2nc3ccccc3s2)CC1(C)C)C(=O)C(=O)Nc1cc[nH]n1	ZINC000028572528	561940154	/nfs/dbraw/zinc/94/01/54/561940154.db2.gz	YYMVVRDPBXFOTR-HNAYVOBHSA-N	0	0	540.602	2.889	1	0		KFAFRN
CCN(CC)C(=O)NC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000028634960	561940920	/nfs/dbraw/zinc/94/09/20/561940920.db2.gz	DNDVEPUSBWZUPX-OAQYLSRUSA-N	0	0	602.685	2.756	1	0		KFAFRN
CCN(CC)C(=O)NC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000028634963	561940897	/nfs/dbraw/zinc/94/08/97/561940897.db2.gz	DNDVEPUSBWZUPX-NRFANRHFSA-N	0	0	602.685	2.756	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](CNC(=O)OC(C)C)C2)cc(OC)c1OC	ZINC000028635472	561940990	/nfs/dbraw/zinc/94/09/90/561940990.db2.gz	WRGATOQONUWUDG-FQEVSTJZSA-N	0	0	589.642	2.840	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](CNC(=O)OC(C)C)C2)cc(OC)c1OC	ZINC000028635475	561941019	/nfs/dbraw/zinc/94/10/19/561941019.db2.gz	WRGATOQONUWUDG-HXUWFJFHSA-N	0	0	589.642	2.840	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C	ZINC000028637422	561941723	/nfs/dbraw/zinc/94/17/23/561941723.db2.gz	FTEJTXDBHVJDSS-JKFQQTEHSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000028637423	561941748	/nfs/dbraw/zinc/94/17/48/561941748.db2.gz	BTOXMGLZFBSLND-OFEGBEERSA-N	0	0	633.834	3.000	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000028637426	561941747	/nfs/dbraw/zinc/94/17/47/561941747.db2.gz	XWNKWYWORFUIIA-MYSYHGOYSA-N	0	0	619.807	2.658	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000028637431	561941702	/nfs/dbraw/zinc/94/17/02/561941702.db2.gz	KOONXZNSPIVCFO-RKJAVHAZSA-N	0	0	599.817	2.803	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](COC(=S)N(C)C)C2)cc(OC)c1OC	ZINC000028637547	561941742	/nfs/dbraw/zinc/94/17/42/561941742.db2.gz	BBIGPCMISCINMM-LJQANCHMSA-N	0	0	591.683	2.568	1	0		KFAFRN
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](COC(=S)N(C)C)C2)cc(OC)c1OC	ZINC000028637550	561941673	/nfs/dbraw/zinc/94/16/73/561941673.db2.gz	BBIGPCMISCINMM-IBGZPJMESA-N	0	0	591.683	2.568	1	0		KFAFRN
CCCCCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C	ZINC000028638382	561942191	/nfs/dbraw/zinc/94/21/91/561942191.db2.gz	MBENBNLUEFQFSL-BFKPYXRSSA-N	0	0	651.890	2.978	1	0	in-vitro	KFAFRN
N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O	ZINC000028638459	561942198	/nfs/dbraw/zinc/94/21/98/561942198.db2.gz	PMVVNMAFMROGBJ-FXWWNYPBSA-N	0	0	649.579	2.804	1	0		KFAFRN
N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O	ZINC000028638628	561942339	/nfs/dbraw/zinc/94/23/39/561942339.db2.gz	PMVVNMAFMROGBJ-ACVDBWASSA-N	0	0	649.579	2.804	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C	ZINC000028638869	561942343	/nfs/dbraw/zinc/94/23/43/561942343.db2.gz	UAINFKIWGXQGLE-MOUTVQLLSA-N	0	0	564.724	2.853	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000028640303	561942723	/nfs/dbraw/zinc/94/27/23/561942723.db2.gz	KOONXZNSPIVCFO-OBBCHVIHSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000028640314	561942862	/nfs/dbraw/zinc/94/28/62/561942862.db2.gz	KOONXZNSPIVCFO-VNGQLYDISA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O	ZINC000028640597	561942847	/nfs/dbraw/zinc/94/28/47/561942847.db2.gz	PLPPAFQUTLZGQM-OBBCHVIHSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C	ZINC000028641036	561943033	/nfs/dbraw/zinc/94/30/33/561943033.db2.gz	PLPPAFQUTLZGQM-JKFQQTEHSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000028641043	561943042	/nfs/dbraw/zinc/94/30/42/561943042.db2.gz	QEHZCKJTAZEKKB-CNXZJCAJSA-N	0	0	624.827	2.942	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000028641223	561943193	/nfs/dbraw/zinc/94/31/93/561943193.db2.gz	GLLGBRJQVXXDNZ-XLIKFSOKSA-N	0	0	615.816	2.509	1	0		KFAFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cn4cnc(C(=O)c5ccc[n+](Cc6ccccc6)c5)c4s3)[C@H](C)[C@H]12	ZINC000028642497	561943701	/nfs/dbraw/zinc/94/37/01/561943701.db2.gz	VUAYWIXMOCMJBS-RMZUICIMSA-O	0	0	529.598	2.616	1	0		KFAFRN
CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O	ZINC000028642984	561943949	/nfs/dbraw/zinc/94/39/49/561943949.db2.gz	WLYWDCKLTCKHAK-JOBLXHLTSA-N	0	0	703.881	2.735	1	0		KFAFRN
CC(C)C[C@H]1OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O	ZINC000028642987	561943951	/nfs/dbraw/zinc/94/39/51/561943951.db2.gz	WLYWDCKLTCKHAK-LYKQQZMYSA-N	0	0	703.881	2.735	1	0		KFAFRN
CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2[C@@H](C)CCN2C1=O	ZINC000028642989	561943938	/nfs/dbraw/zinc/94/39/38/561943938.db2.gz	CYKMKVMZXCFAKS-GPUGIWAMSA-N	0	0	717.908	2.981	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O	ZINC000028644029	561944249	/nfs/dbraw/zinc/94/42/49/561944249.db2.gz	BKFUQKRRUFYLMR-UQVNRYHBSA-N	0	0	534.698	2.528	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O	ZINC000028644032	561944251	/nfs/dbraw/zinc/94/42/51/561944251.db2.gz	BKFUQKRRUFYLMR-FCMAGTKHSA-N	0	0	534.698	2.528	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H]1[C@@H]2[C@H](CN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O	ZINC000028644035	561944242	/nfs/dbraw/zinc/94/42/42/561944242.db2.gz	BKFUQKRRUFYLMR-ALGQRKQJSA-N	0	0	534.698	2.528	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1	ZINC000028644041	561944267	/nfs/dbraw/zinc/94/42/67/561944267.db2.gz	LFKITAOQQDIAJF-KGWSWXIGSA-N	0	0	546.709	2.672	1	0		KFAFRN
Cc1nc(CNC(=O)c2cc(C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NC(C)C)C(C)C)cc(N(C)S(C)(=O)=O)c2)c(C)o1	ZINC000028644316	561944367	/nfs/dbraw/zinc/94/43/67/561944367.db2.gz	HVXRCOUKAWTMKX-CXVOGFMYSA-N	0	0	706.907	2.814	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](CO)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NC(C)C)C(C)C	ZINC000028644528	561944359	/nfs/dbraw/zinc/94/43/59/561944359.db2.gz	GUIKWSZIYUANFW-KKESWQSKSA-N	0	0	717.930	2.743	1	0		KFAFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccc(OCC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)[C@H](O)[C@@H]1O	ZINC000028647816	561945461	/nfs/dbraw/zinc/94/54/61/561945461.db2.gz	NRTLUPRZIPJFHK-APSVEGKFSA-N	0	0	589.653	2.640	1	0		KFAFRN
COC(=O)[C@@H]1Cc2c[nH]c3c2cccc3-c2ccc(cc2OC)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1	ZINC000028652939	561946101	/nfs/dbraw/zinc/94/61/01/561946101.db2.gz	QXFBZOSWMLLGSO-GMWOSMDTSA-N	0	0	564.639	2.998	1	0		KFAFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C	ZINC000028652948	561946092	/nfs/dbraw/zinc/94/60/92/561946092.db2.gz	TVYLEEOUDQRZAK-DPSWKAHMSA-N	0	0	552.628	2.715	1	0		KFAFRN
O[C@H]1[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)SC[C@H]1O	ZINC000028656123	561946837	/nfs/dbraw/zinc/94/68/37/561946837.db2.gz	QMJFSSNSVVHFPD-IXPVHAAZSA-N	0	0	503.753	2.664	1	0		KFAFRN
CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[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	561946938	/nfs/dbraw/zinc/94/69/38/561946938.db2.gz	NBVBHNUFSYRTEN-OHALGSNASA-N	0	0	733.812	2.588	1	0		KFAFRN
CC[C@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[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	561946922	/nfs/dbraw/zinc/94/69/22/561946922.db2.gz	NBVBHNUFSYRTEN-YUZPYZPWSA-N	0	0	733.812	2.588	1	0	in-vitro	KFAFRN
CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000028701658	561946913	/nfs/dbraw/zinc/94/69/13/561946913.db2.gz	NHGPGFIEZTYBBN-VIYFNOPRSA-N	0	0	719.829	2.992	1	0		KFAFRN
CC[C@H](C)[C@@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O	ZINC000028701660	561946932	/nfs/dbraw/zinc/94/69/32/561946932.db2.gz	NHGPGFIEZTYBBN-FBIIVLIJSA-N	0	0	719.829	2.992	1	0	in-vitro	KFAFRN
Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4NS(C)(=O)=O)cc[nH]c3=O)[nH]c21	ZINC000028703496	561947749	/nfs/dbraw/zinc/94/77/49/561947749.db2.gz	JWXGLLDOYYMWJF-OAQYLSRUSA-N	0	0	519.587	2.929	1	0		KFAFRN
Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@H](O)c4ccccc4NS(C)(=O)=O)cc[nH]c3=O)[nH]c21	ZINC000028703497	561947755	/nfs/dbraw/zinc/94/77/55/561947755.db2.gz	JWXGLLDOYYMWJF-NRFANRHFSA-N	0	0	519.587	2.929	1	0		KFAFRN
Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@@H](O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)[nH]c21	ZINC000028703520	561947732	/nfs/dbraw/zinc/94/77/32/561947732.db2.gz	ITOBIOBRLRLTTQ-OAQYLSRUSA-N	0	0	519.587	2.929	1	0		KFAFRN
Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@H](O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)[nH]c21	ZINC000028703522	561947724	/nfs/dbraw/zinc/94/77/24/561947724.db2.gz	ITOBIOBRLRLTTQ-NRFANRHFSA-N	0	0	519.587	2.929	1	0		KFAFRN
Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@@H](O)c4ccc(NS(C)(=O)=O)cc4)cc[nH]c3=O)[nH]c21	ZINC000028703547	561947721	/nfs/dbraw/zinc/94/77/21/561947721.db2.gz	GTKSBZJIGPPPTB-OAQYLSRUSA-N	0	0	519.587	2.929	1	0		KFAFRN
Cc1cc(-n2ccnc2)cc2nc(-c3c(NC[C@H](O)c4ccc(NS(C)(=O)=O)cc4)cc[nH]c3=O)[nH]c21	ZINC000028703548	561947734	/nfs/dbraw/zinc/94/77/34/561947734.db2.gz	GTKSBZJIGPPPTB-NRFANRHFSA-N	0	0	519.587	2.929	1	0		KFAFRN
CSC[C@H](NC(=O)Cc1ccccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000028704103	561948231	/nfs/dbraw/zinc/94/82/31/561948231.db2.gz	BUCXGTGXIGORNK-DYCNJNKSSA-N	0	0	718.942	2.928	1	0	in-vivo	KFAFRN
CSC[C@H](NC(=O)Cc1cccc(C)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000028704109	561948253	/nfs/dbraw/zinc/94/82/53/561948253.db2.gz	RKUUAMZSZJEKQE-DYCNJNKSSA-N	0	0	718.942	2.928	1	0	in-vivo	KFAFRN
CSC[C@H](NC(=O)Cc1ccc(C)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000028704111	561948246	/nfs/dbraw/zinc/94/82/46/561948246.db2.gz	OMAVDDWHFQLABL-DYCNJNKSSA-N	0	0	718.942	2.928	1	0	in-vivo	KFAFRN
COc1ccccc1CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000028704135	561948387	/nfs/dbraw/zinc/94/83/87/561948387.db2.gz	IJOKPTZPLSVFMX-CPPBRJAYSA-N	0	0	734.941	2.629	1	0	in-vivo	KFAFRN
COc1cccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1	ZINC000028704141	561948437	/nfs/dbraw/zinc/94/84/37/561948437.db2.gz	CLMDKZSFODILEW-DYCNJNKSSA-N	0	0	734.941	2.629	1	0	in-vivo	KFAFRN
COc1ccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1	ZINC000028704144	561948379	/nfs/dbraw/zinc/94/83/79/561948379.db2.gz	GJESXLGDWNCUSK-DYCNJNKSSA-N	0	0	734.941	2.629	1	0	in-vivo	KFAFRN
CSC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000028704146	561948352	/nfs/dbraw/zinc/94/83/52/561948352.db2.gz	FCTXMHJXDHGIIN-ACUZRORGSA-N	0	0	704.915	2.620	1	0	in-vitro	KFAFRN
O=C(OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CCO)CC1	ZINC000028704190	561948350	/nfs/dbraw/zinc/94/83/50/561948350.db2.gz	RMCWAUUWUHKEKV-NRFANRHFSA-N	0	0	508.040	2.987	1	0		KFAFRN
O=C(OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CCO)CC1	ZINC000028704193	561948398	/nfs/dbraw/zinc/94/83/98/561948398.db2.gz	RMCWAUUWUHKEKV-OAQYLSRUSA-N	0	0	508.040	2.987	1	0		KFAFRN
O=C(OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CCO)CC1	ZINC000028704283	561948555	/nfs/dbraw/zinc/94/85/55/561948555.db2.gz	XEFMRJOPPTYVAW-GGAORHGYSA-N	0	0	508.040	2.981	1	0		KFAFRN
CC(C)(C)NC(=O)c1ccccc1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CS(=O)(=O)c1ccc(Cl)cc1)NS(C)(=O)=O	ZINC000028704804	561948788	/nfs/dbraw/zinc/94/87/88/561948788.db2.gz	DXCSFZCMVRDPHH-PKTNWEFCSA-N	0	0	664.246	2.891	1	0		KFAFRN
COc1ccc(CS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2ccccc2C)cc1	ZINC000028704811	561948799	/nfs/dbraw/zinc/94/87/99/561948799.db2.gz	BOQHRXSLFRELAF-ISSPZXTRSA-N	0	0	738.929	2.508	1	0		KFAFRN
COC(=O)N[C@@H](CO)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1	ZINC000028705754	561949290	/nfs/dbraw/zinc/94/92/90/561949290.db2.gz	TZFPFIPYUHBXBN-ZBLYBZFDSA-N	0	0	691.717	2.850	1	0		KFAFRN
COC(=O)N[C@@H](CO)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1	ZINC000028705757	561949241	/nfs/dbraw/zinc/94/92/41/561949241.db2.gz	TZFPFIPYUHBXBN-IDISGSTGSA-N	0	0	691.717	2.850	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000028706049	561949366	/nfs/dbraw/zinc/94/93/66/561949366.db2.gz	RENOKKJLSNZWDC-XLIKFSOKSA-N	0	0	599.817	2.851	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000028706052	561949370	/nfs/dbraw/zinc/94/93/70/561949370.db2.gz	RENOKKJLSNZWDC-OBBCHVIHSA-N	0	0	599.817	2.851	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O	ZINC000028706058	561949340	/nfs/dbraw/zinc/94/93/40/561949340.db2.gz	BJMZBPKULGPSTI-OBBCHVIHSA-N	0	0	615.816	2.557	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000028706066	561949350	/nfs/dbraw/zinc/94/93/50/561949350.db2.gz	RENOKKJLSNZWDC-JKFQQTEHSA-N	0	0	599.817	2.851	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000028706085	561949368	/nfs/dbraw/zinc/94/93/68/561949368.db2.gz	KAIRMHLWRDVYHG-XVUJOJRVSA-N	0	0	718.940	2.944	1	0		KFAFRN
CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@H](CO)Cc2cc(F)cc(F)c2)cc(NC[C@H]2C[C@@H]2C)n1	ZINC000028706456	561949754	/nfs/dbraw/zinc/94/97/54/561949754.db2.gz	AURIBKKPUXEPLA-KLHJMIIUSA-N	0	0	510.607	2.936	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C1=O	ZINC000028706608	561949848	/nfs/dbraw/zinc/94/98/48/561949848.db2.gz	NPNYOIOLYWFCNP-KLMIGJKJSA-N	0	0	599.817	2.803	1	0		KFAFRN
NC(=[NH2+])c1c([O-])c(F)c(CNC(=O)Cn2c(=O)c(NC3CCC3)nc(Cl)c2-c2cccc(N)c2)c(F)c1F	ZINC000028707623	561950135	/nfs/dbraw/zinc/95/01/35/561950135.db2.gz	VSRRLBVLXXXOPX-UHFFFAOYSA-N	0	0	549.941	2.834	1	0		KFAFRN
COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2F)C1	ZINC000028708626	561950429	/nfs/dbraw/zinc/95/04/29/561950429.db2.gz	VNRCMMDJSCIXCX-UHFFFAOYSA-N	0	0	508.485	2.640	1	0		KFAFRN
COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCc2c(cnn2-c2ccccc2Cl)C1	ZINC000028708668	561950413	/nfs/dbraw/zinc/95/04/13/561950413.db2.gz	DXBOGSHGTMPNRF-UHFFFAOYSA-N	0	0	506.950	2.880	1	0		KFAFRN
CN(C)CC(=O)Nc1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1	ZINC000028708803	561950446	/nfs/dbraw/zinc/95/04/46/561950446.db2.gz	NLMVBZLCHSSXSZ-UHFFFAOYSA-N	0	0	504.566	2.575	1	0		KFAFRN
COc1cc[nH+]c(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	561950992	/nfs/dbraw/zinc/95/09/92/561950992.db2.gz	CGSLGBRMSMBNMX-ITHJLQSDSA-N	0	0	683.784	2.772	1	0		KFAFRN
COc1cc[nH+]c(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	561951098	/nfs/dbraw/zinc/95/10/98/561951098.db2.gz	ZWFUXTUZVCZUMC-CAOCKLPOSA-N	0	0	611.740	2.849	1	0		KFAFRN
COc1cc[nH+]c(NC[C@@H]2C[C@@H](OCC(=O)NC[C@H](NC(=O)C3(C)CCCCC3)C(=O)[O-])CN2C(=O)OCc2ccccc2)c1	ZINC000028710182	561951145	/nfs/dbraw/zinc/95/11/45/561951145.db2.gz	IPSRDFZOWABPRU-DMDYGQEQSA-N	0	0	625.723	2.954	1	0		KFAFRN
COc1cc[nH+]c(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	561951155	/nfs/dbraw/zinc/95/11/55/561951155.db2.gz	LTEAZKWKEALJQD-WWNPGLIZSA-N	0	0	589.734	2.580	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@@]2(=O)OCC[C@@H](c3ccc(Cl)c(F)c3)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710224	561951285	/nfs/dbraw/zinc/95/12/85/561951285.db2.gz	XGMPYTOBKRCOBA-ATZLKTJFSA-N	0	0	529.849	2.513	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@]2(=O)OCC[C@@H](c3ccc(Cl)c(F)c3)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710225	561951255	/nfs/dbraw/zinc/95/12/55/561951255.db2.gz	XGMPYTOBKRCOBA-FLGJRKHASA-N	0	0	529.849	2.513	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@@]2(=O)OCC[C@H](c3ccc(Cl)c(F)c3)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710226	561951275	/nfs/dbraw/zinc/95/12/75/561951275.db2.gz	XGMPYTOBKRCOBA-FUDMZJRYSA-N	0	0	529.849	2.513	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@]2(=O)OCC[C@H](c3ccc(Cl)c(F)c3)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710227	561951286	/nfs/dbraw/zinc/95/12/86/561951286.db2.gz	XGMPYTOBKRCOBA-ZTABDABISA-N	0	0	529.849	2.513	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@@]2(=O)OCC[C@@H](c3cc(F)ccc3Br)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710228	561951258	/nfs/dbraw/zinc/95/12/58/561951258.db2.gz	UOUCNWHNZGTRGQ-ATZLKTJFSA-N	0	0	574.300	2.622	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@]2(=O)OCC[C@@H](c3cc(F)ccc3Br)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710229	561951283	/nfs/dbraw/zinc/95/12/83/561951283.db2.gz	UOUCNWHNZGTRGQ-FLGJRKHASA-N	0	0	574.300	2.622	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@@]2(=O)OCC[C@H](c3cc(F)ccc3Br)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710230	561951296	/nfs/dbraw/zinc/95/12/96/561951296.db2.gz	UOUCNWHNZGTRGQ-FUDMZJRYSA-N	0	0	574.300	2.622	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](CO[P@]2(=O)OCC[C@H](c3cc(F)ccc3Br)O2)O[C@H]1n1cnc2c1ncnc2N	ZINC000028710231	561951267	/nfs/dbraw/zinc/95/12/67/561951267.db2.gz	UOUCNWHNZGTRGQ-ZTABDABISA-N	0	0	574.300	2.622	1	0		KFAFRN
CCCCN(CCCC)c1nc(N(CCO)CCO)nc2c1nc(N(CCO)CCO)nc2N(CCCC)CCCC	ZINC000028710632	561951599	/nfs/dbraw/zinc/95/15/99/561951599.db2.gz	UTMGQCIXSKRSNE-UHFFFAOYSA-N	0	0	592.830	2.815	1	0		KFAFRN
CC(C)OCCN(CCO)c1nc2c(nc(N(CCO)CCOC(C)C)nc2N2CCCCC2)c(N2CCCCC2)n1	ZINC000028710709	561951745	/nfs/dbraw/zinc/95/17/45/561951745.db2.gz	NBWNWNNXKXAZHY-UHFFFAOYSA-N	0	0	588.798	2.848	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1C	ZINC000028711371	561951972	/nfs/dbraw/zinc/95/19/72/561951972.db2.gz	HOBHXGWPPSOFBU-NOMZNWIRSA-N	0	0	606.720	2.668	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1C	ZINC000028711374	561951973	/nfs/dbraw/zinc/95/19/73/561951973.db2.gz	INLPEWSSLANRQY-NOMZNWIRSA-N	0	0	606.720	2.668	1	0		KFAFRN
CN1CCN(CCCC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1	ZINC000028711461	561951948	/nfs/dbraw/zinc/95/19/48/561951948.db2.gz	LRYOKJHAVXZNBC-NRFANRHFSA-N	0	0	507.570	2.715	1	0		KFAFRN
CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1	ZINC000028711591	561952056	/nfs/dbraw/zinc/95/20/56/561952056.db2.gz	SQYYANNTSKMXLF-HSZRJFAPSA-N	0	0	536.698	2.976	1	0		KFAFRN
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CC1)c1cc2ccccc2s1	ZINC000028711592	561952004	/nfs/dbraw/zinc/95/20/04/561952004.db2.gz	QDYQEQAYPSILEM-HSZRJFAPSA-N	0	0	534.682	2.730	1	0		KFAFRN
CN(CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)C(=O)c1cc2ccccc2s1	ZINC000028711594	561952045	/nfs/dbraw/zinc/95/20/45/561952045.db2.gz	OTHJINUYWQOBLM-HSZRJFAPSA-N	0	0	522.671	2.539	1	0		KFAFRN
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cccc(Cl)c1	ZINC000028711597	561952024	/nfs/dbraw/zinc/95/20/24/561952024.db2.gz	VLSAFDFRQWIAHI-RUZDIDTESA-N	0	0	541.092	2.949	1	0		KFAFRN
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(I)cc1	ZINC000028711600	561952174	/nfs/dbraw/zinc/95/21/74/561952174.db2.gz	XJWRILQRCUFJMC-RUZDIDTESA-N	0	0	632.543	2.900	1	0		KFAFRN
O=C(Nc1ccc(F)c(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1	ZINC000028711604	561952169	/nfs/dbraw/zinc/95/21/69/561952169.db2.gz	JJDHPNRFTWTMIV-RUZDIDTESA-N	0	0	557.642	2.965	1	0		KFAFRN
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2[nH]1	ZINC000028711610	561952202	/nfs/dbraw/zinc/95/22/02/561952202.db2.gz	SUZUBLHOGWJBEC-AREMUKBSSA-N	0	0	545.684	2.777	1	0		KFAFRN
Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21	ZINC000028711611	561952156	/nfs/dbraw/zinc/95/21/56/561952156.db2.gz	YWQRQHFLRRIYLO-AREMUKBSSA-N	0	0	559.711	2.787	1	0		KFAFRN
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1	ZINC000028711614	561952178	/nfs/dbraw/zinc/95/21/78/561952178.db2.gz	GXFAEQDYALHFOA-MUUNZHRXSA-N	0	0	557.695	2.843	1	0		KFAFRN
O=C(/C=C/c1ccccc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1	ZINC000028711618	561952200	/nfs/dbraw/zinc/95/22/00/561952200.db2.gz	WSDCKBNWHUCLCC-BTUVCSFDSA-N	0	0	532.685	2.695	1	0		KFAFRN
CN1CCN(C(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1	ZINC000028711682	561952167	/nfs/dbraw/zinc/95/21/67/561952167.db2.gz	DRZJIWHMRQXGEA-RUZDIDTESA-N	0	0	589.762	2.952	1	0		KFAFRN
NN1C(=S)N=NC1CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1	ZINC000028712169	561952845	/nfs/dbraw/zinc/95/28/45/561952845.db2.gz	JKFKRUDRZJPJKI-UHFFFAOYSA-N	0	0	564.682	2.848	1	0		KFAFRN
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1	ZINC000028712340	561952821	/nfs/dbraw/zinc/95/28/21/561952821.db2.gz	DUOGQNPBICAICT-SFHVURJKSA-N	0	0	520.974	2.607	1	0		KFAFRN
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(F)c1	ZINC000028712341	561952825	/nfs/dbraw/zinc/95/28/25/561952825.db2.gz	QYQJZDBUAXTDOZ-SFHVURJKSA-N	0	0	565.425	2.716	1	0		KFAFRN
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(F)c1	ZINC000028712346	561952981	/nfs/dbraw/zinc/95/29/81/561952981.db2.gz	QEHBMLSOPYLDCV-KRWDZBQOSA-N	0	0	554.526	2.972	1	0		KFAFRN
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(F)c1	ZINC000028712347	561952966	/nfs/dbraw/zinc/95/29/66/561952966.db2.gz	SADYHLSFFGYJLT-SFHVURJKSA-N	0	0	554.526	2.972	1	0		KFAFRN
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c(F)c1	ZINC000028712348	561952920	/nfs/dbraw/zinc/95/29/20/561952920.db2.gz	XQNMNQGAGABBIF-SFHVURJKSA-N	0	0	554.526	2.972	1	0		KFAFRN
CC(=O)O[C@H]1[C@H](Sc2nnc3sc(-c4ccc(Cl)cc4)nn23)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000028712783	561953255	/nfs/dbraw/zinc/95/32/55/561953255.db2.gz	REEPJWBJCGQVFZ-CUSZFKRNSA-N	0	0	526.980	2.750	1	0		KFAFRN
CC(=O)O[C@H]1[C@H](n2nc3sc(-c4ccc(Cl)cc4)nn3c2=S)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000028712787	561953296	/nfs/dbraw/zinc/95/32/96/561953296.db2.gz	ABJGRSBOSOPVMR-LISAXSMJSA-N	0	0	526.980	2.966	1	0		KFAFRN
O=C(CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)N[C@H]1CC(=O)O[C@H]1O	ZINC000028713445	561953984	/nfs/dbraw/zinc/95/39/84/561953984.db2.gz	MFLPCWJZGMOISU-ZBKIVJSUSA-N	0	0	573.671	2.780	1	0		KFAFRN
O=C(CN1CC(CSCc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)N[C@H]1CC(=O)O[C@@H]1O	ZINC000028713446	561953968	/nfs/dbraw/zinc/95/39/68/561953968.db2.gz	MFLPCWJZGMOISU-LNFMTQTQSA-N	0	0	573.671	2.780	1	0		KFAFRN
COc1ccc(OC)c(S(=O)(=O)N2CCC(N(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)C(=O)CC(=O)[O-])CC2)c1	ZINC000028714218	561954802	/nfs/dbraw/zinc/95/48/02/561954802.db2.gz	HSPYEJCVHDDLAJ-UHFFFAOYSA-N	0	0	568.652	2.798	1	0		KFAFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@@H](F)CN2)c1)c1cc(Br)cc(Br)c1	ZINC000028714312	561954903	/nfs/dbraw/zinc/95/49/03/561954903.db2.gz	XVOQGTVDXXETSK-GOSISDBHSA-N	0	0	615.254	2.688	1	0		KFAFRN
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@@H](F)CN2)c1)c1cc(Br)cc(I)c1	ZINC000028714318	561954929	/nfs/dbraw/zinc/95/49/29/561954929.db2.gz	DVIJUBADZCIIOA-GOSISDBHSA-N	0	0	662.254	2.531	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](O)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1	ZINC000028714434	561955135	/nfs/dbraw/zinc/95/51/35/561955135.db2.gz	LZVIADMYMDRIDU-DJZVOGDHSA-N	0	0	532.542	2.645	1	0		KFAFRN
CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1O)[C@H]3OC(=O)c1ccco1	ZINC000028714447	561955127	/nfs/dbraw/zinc/95/51/27/561955127.db2.gz	ZCQXSBNRWUJABD-JCBWYCNPSA-N	0	0	532.542	2.645	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](OC(=O)c2ccco2)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3O	ZINC000028714459	561955153	/nfs/dbraw/zinc/95/51/53/561955153.db2.gz	JXQLGVFTAKWAOV-YSGVRMLJSA-N	0	0	532.542	2.645	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(F)(F)F	ZINC000028714480	561955136	/nfs/dbraw/zinc/95/51/36/561955136.db2.gz	CCWVECXEROQWBX-OTJUSODOSA-N	0	0	576.517	2.871	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccco1)[C@H]3OC(=O)c1ccco1	ZINC000028714493	561955133	/nfs/dbraw/zinc/95/51/33/561955133.db2.gz	UIECACVRTPYSCK-GMMQTXTBSA-N	0	0	632.615	2.759	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(CO)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@](C)(O)[C@@]13OC2(C)C	ZINC000028714501	561955220	/nfs/dbraw/zinc/95/52/20/561955220.db2.gz	YFFWLVHQZDPHKC-YVZSNWEISA-N	0	0	668.692	2.544	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)C[C@@](C)(O)[C@]13OC(C)(C)[C@H](C(=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O	ZINC000028714511	561955218	/nfs/dbraw/zinc/95/52/18/561955218.db2.gz	YBVNNKHLQUZXTL-CRPDCDKESA-N	0	0	666.676	2.752	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)N2CCC3(CC2)CCN(c2cc[nH+]cc2)CC3)C(=O)[O-])cc1	ZINC000028755496	561955624	/nfs/dbraw/zinc/95/56/24/561955624.db2.gz	JKEXIYXWHPGQLX-QHCPKHFHSA-N	0	0	514.648	2.811	1	0		KFAFRN
COc1cc2cc(C(=O)N3CCN(CCO)CC3)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC	ZINC000028756573	561956371	/nfs/dbraw/zinc/95/63/71/561956371.db2.gz	RTLVAGXXNWRHIS-UHFFFAOYSA-N	0	0	540.613	2.792	1	0		KFAFRN
COc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1	ZINC000028756719	561956424	/nfs/dbraw/zinc/95/64/24/561956424.db2.gz	YBGXUZGJYQNALN-VWLOTQADSA-N	0	0	589.599	2.749	1	0		KFAFRN
COc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1	ZINC000028756721	561956489	/nfs/dbraw/zinc/95/64/89/561956489.db2.gz	YBGXUZGJYQNALN-RUZDIDTESA-N	0	0	589.599	2.749	1	0		KFAFRN
COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(N)c(OC)c(OC)c1	ZINC000028756723	561956468	/nfs/dbraw/zinc/95/64/68/561956468.db2.gz	QMHHXWUJQMGJMU-UHFFFAOYSA-N	0	0	553.612	2.660	1	0		KFAFRN
CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O	ZINC000028756774	561956471	/nfs/dbraw/zinc/95/64/71/561956471.db2.gz	VIKUBVQOMYVYHW-AJTFRIOCSA-N	0	0	566.445	2.852	1	0		KFAFRN
CC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O	ZINC000028756776	561956437	/nfs/dbraw/zinc/95/64/37/561956437.db2.gz	VIKUBVQOMYVYHW-AMGIVPHBSA-N	0	0	566.445	2.852	1	0		KFAFRN
CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O	ZINC000028756992	561956649	/nfs/dbraw/zinc/95/66/49/561956649.db2.gz	VIKUBVQOMYVYHW-WXVAWEFUSA-N	0	0	566.445	2.852	1	0		KFAFRN
CC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O	ZINC000028756996	561956560	/nfs/dbraw/zinc/95/65/60/561956560.db2.gz	VIKUBVQOMYVYHW-CUNXSJBXSA-N	0	0	566.445	2.852	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)C2CCC3(CC2)CCN(c2cc[nH+]cc2)CC3)C(=O)[O-])cc1	ZINC000028757021	561956644	/nfs/dbraw/zinc/95/66/44/561956644.db2.gz	BGZXFBKQLANYBE-QHCPKHFHSA-N	0	0	514.648	2.715	1	0		KFAFRN
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O	ZINC000028757230	561956700	/nfs/dbraw/zinc/95/67/00/561956700.db2.gz	NUUCUHIHWIAZOY-DEOSSOPVSA-N	0	0	577.563	2.880	1	0		KFAFRN
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O	ZINC000028757233	561956731	/nfs/dbraw/zinc/95/67/31/561956731.db2.gz	NUUCUHIHWIAZOY-XMMPIXPASA-N	0	0	577.563	2.880	1	0		KFAFRN
Nc1cnc(-c2cccc(F)c2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O	ZINC000028757290	561956685	/nfs/dbraw/zinc/95/66/85/561956685.db2.gz	DFUULODUOQISLS-DEOSSOPVSA-N	0	0	577.563	2.880	1	0		KFAFRN
Nc1cnc(-c2cccc(F)c2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O	ZINC000028757293	561956690	/nfs/dbraw/zinc/95/66/90/561956690.db2.gz	DFUULODUOQISLS-XMMPIXPASA-N	0	0	577.563	2.880	1	0		KFAFRN
Nc1cnc(-c2ccccc2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O	ZINC000028757746	561956988	/nfs/dbraw/zinc/95/69/88/561956988.db2.gz	HUMKWHCZOMYLFG-DEOSSOPVSA-N	0	0	559.573	2.741	1	0		KFAFRN
Nc1cnc(-c2ccccc2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O	ZINC000028757747	561956950	/nfs/dbraw/zinc/95/69/50/561956950.db2.gz	HUMKWHCZOMYLFG-XMMPIXPASA-N	0	0	559.573	2.741	1	0		KFAFRN
CC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(-c3ccccc3)no2)C1=O	ZINC000028759610	561957580	/nfs/dbraw/zinc/95/75/80/561957580.db2.gz	LEPPEHVNKLERRU-HHHXNRCGSA-N	0	0	508.538	2.699	1	0		KFAFRN
CC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCc2nc(-c3ccccc3)no2)C1=O	ZINC000028759613	561957616	/nfs/dbraw/zinc/95/76/16/561957616.db2.gz	LEPPEHVNKLERRU-MHZLTWQESA-N	0	0	508.538	2.699	1	0		KFAFRN
COc1ccc(-c2cc3c(c(=O)o2)C(=O)[C@H]2[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4C[C@H](O)[C@@]2(C)O3)cc1OC	ZINC000028759764	561957675	/nfs/dbraw/zinc/95/76/75/561957675.db2.gz	NUMBCVSTOUXZBP-OEVGGALISA-N	0	0	514.571	2.814	1	0		KFAFRN
COc1ccc(-c2cc3c(c(=O)o2)C(=O)[C@@H]2[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4C[C@H](O)[C@@]2(C)O3)cc1OC	ZINC000028759766	561957695	/nfs/dbraw/zinc/95/76/95/561957695.db2.gz	NUMBCVSTOUXZBP-QDLYRTSYSA-N	0	0	514.571	2.814	1	0		KFAFRN
CC(=O)CCCC(=O)N[C@H]1N=C(C)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O	ZINC000028759790	561957703	/nfs/dbraw/zinc/95/77/03/561957703.db2.gz	AKLZJTDTARMCIF-HFZDXXHNSA-N	0	0	574.465	2.563	1	0		KFAFRN
CCc1ccccc1[C@@H]1Cc2cc(OC(=O)[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c(CCCOc3ccccc3)cc2O1	ZINC000028760174	561957859	/nfs/dbraw/zinc/95/78/59/561957859.db2.gz	OAQOWYUAUPSECR-RWJWSVIKSA-N	0	0	550.604	2.642	1	0		KFAFRN
CCc1ccccc1[C@H]1Cc2cc(OC(=O)[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c(CCCOc3ccccc3)cc2O1	ZINC000028760176	561957826	/nfs/dbraw/zinc/95/78/26/561957826.db2.gz	OAQOWYUAUPSECR-UOSKWKFBSA-N	0	0	550.604	2.642	1	0		KFAFRN
CCc1ccccc1[C@@H]1Cc2cc(OC(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c(CCCOc3ccccc3)cc2O1	ZINC000028760178	561957814	/nfs/dbraw/zinc/95/78/14/561957814.db2.gz	OAQOWYUAUPSECR-XBSCKGQLSA-N	0	0	550.604	2.642	1	0		KFAFRN
CCc1ccccc1[C@H]1Cc2cc(OC(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c(CCCOc3ccccc3)cc2O1	ZINC000028760180	561957820	/nfs/dbraw/zinc/95/78/20/561957820.db2.gz	OAQOWYUAUPSECR-IVPISEAZSA-N	0	0	550.604	2.642	1	0		KFAFRN
CNS(=O)(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1	ZINC000028761739	561958194	/nfs/dbraw/zinc/95/81/94/561958194.db2.gz	XOUKZBXUTNQETL-QHCPKHFHSA-N	0	0	648.877	2.863	1	0		KFAFRN
COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C	ZINC000028763020	561958555	/nfs/dbraw/zinc/95/85/55/561958555.db2.gz	CNBRHWCJJYWEJV-VAWYXSNFSA-N	0	0	543.621	2.842	1	0		KFAFRN
COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OC/C=C/CNC(=O)OC(C)(C)C	ZINC000028763614	561958820	/nfs/dbraw/zinc/95/88/20/561958820.db2.gz	IXODIILSAZBDLI-HULFFUFUSA-N	0	0	541.605	2.618	1	0		KFAFRN
Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21	ZINC000028766105	561959663	/nfs/dbraw/zinc/95/96/63/561959663.db2.gz	VMVGGLFKABPLBA-UHFFFAOYSA-N	0	0	549.626	2.696	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cccc(Br)c1	ZINC000028766649	561959852	/nfs/dbraw/zinc/95/98/52/561959852.db2.gz	JQVGJHNEIBMMEB-UHFFFAOYSA-N	0	0	528.741	2.813	1	0		KFAFRN
CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)[C@H]2CSC(=N2)[C@@H](C)NC(=O)[C@H]2N=C1O[C@@H]2C	ZINC000028767470	561959914	/nfs/dbraw/zinc/95/99/14/561959914.db2.gz	BRLJUCBNCZSZRH-HSXGCCRNSA-N	0	0	568.725	2.516	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OC(F)(F)F	ZINC000028767581	561959918	/nfs/dbraw/zinc/95/99/18/561959918.db2.gz	CLTFONZWJUFRPL-UHFFFAOYSA-N	0	0	533.841	2.949	1	0		KFAFRN
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OCC(F)(F)F	ZINC000028767670	561960109	/nfs/dbraw/zinc/96/01/09/561960109.db2.gz	IGLAHUPPDPHOHX-UHFFFAOYSA-N	0	0	547.868	2.992	1	0		KFAFRN
COC(=O)CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1	ZINC000028816031	561963768	/nfs/dbraw/zinc/96/37/68/561963768.db2.gz	WOTPDTDIGSXJJW-DEOSSOPVSA-N	0	0	534.642	2.616	1	0		KFAFRN
COC(=O)CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1	ZINC000028816033	561963787	/nfs/dbraw/zinc/96/37/87/561963787.db2.gz	WOTPDTDIGSXJJW-XMMPIXPASA-N	0	0	534.642	2.616	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(C(=O)NC4CCCCC4)ccc3N(Cc3cncn3C)C2)c1	ZINC000028816111	561963918	/nfs/dbraw/zinc/96/39/18/561963918.db2.gz	UDXSLPVNYJOUCH-VWLOTQADSA-N	0	0	624.812	2.753	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(C(=O)NC4CCCCC4)ccc3N(Cc3cncn3C)C2)c1	ZINC000028816113	561963909	/nfs/dbraw/zinc/96/39/09/561963909.db2.gz	UDXSLPVNYJOUCH-RUZDIDTESA-N	0	0	624.812	2.753	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(C(=O)NCc4ccccc4)ccc3N(Cc3cncn3C)C2)c1	ZINC000028816126	561963926	/nfs/dbraw/zinc/96/39/26/561963926.db2.gz	XLMBKBBMRJCKLV-SANMLTNESA-N	0	0	632.791	2.621	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(C(=O)NCc4ccccc4)ccc3N(Cc3cncn3C)C2)c1	ZINC000028816128	561963914	/nfs/dbraw/zinc/96/39/14/561963914.db2.gz	XLMBKBBMRJCKLV-AREMUKBSSA-N	0	0	632.791	2.621	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000028819908	561965815	/nfs/dbraw/zinc/96/58/15/561965815.db2.gz	YOMGDTLUBPVTAN-QGSDQRCHSA-N	0	0	693.890	2.979	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ncc[nH]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000028819921	561965813	/nfs/dbraw/zinc/96/58/13/561965813.db2.gz	VYNDKJNDWQYUMC-ZACNKXALSA-N	0	0	681.879	2.912	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1nccn1C)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000028819923	561965806	/nfs/dbraw/zinc/96/58/06/561965806.db2.gz	YOYJJVDIWPLJAU-MXFPNWFMSA-N	0	0	695.906	2.922	1	0		KFAFRN
COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](C(=O)N[C@]2(Cc3ccccc3)CNC2=O)C(C)C)c(OC)c1OC	ZINC000028820062	561965969	/nfs/dbraw/zinc/96/59/69/561965969.db2.gz	XQCKQIXKPAKNJS-DZSWEVNLSA-N	0	0	646.741	2.918	1	0		KFAFRN
COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](C(=O)N[C@@]2(Cc3ccccc3)CNC2=O)C(C)C)c(OC)c1OC	ZINC000028820067	561965951	/nfs/dbraw/zinc/96/59/51/561965951.db2.gz	XQCKQIXKPAKNJS-MCILPLIISA-N	0	0	646.741	2.918	1	0		KFAFRN
CS(=O)(=O)c1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1	ZINC000028822867	561967619	/nfs/dbraw/zinc/96/76/19/561967619.db2.gz	VEPNDBHSQQFDGJ-LEWJYISDSA-N	0	0	514.003	2.975	1	0		KFAFRN
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O	ZINC000028823459	561968186	/nfs/dbraw/zinc/96/81/86/561968186.db2.gz	XMNRRUOHRJXJDV-FULLSBAXSA-N	0	0	655.722	2.875	1	0		KFAFRN
Cc1cnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O	ZINC000028823469	561968190	/nfs/dbraw/zinc/96/81/90/561968190.db2.gz	RHMBCCONNACJFV-FULLSBAXSA-N	0	0	643.711	2.573	1	0		KFAFRN
Cc1nnn(C[C@@H]2NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)NCCOc3ccccc3CCCNC2=O)c1C	ZINC000028823470	561968183	/nfs/dbraw/zinc/96/81/83/561968183.db2.gz	NFDQGTPOMHRTLM-IUAQSZDVSA-N	0	0	657.738	2.882	1	0		KFAFRN
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O	ZINC000028823472	561968209	/nfs/dbraw/zinc/96/82/09/561968209.db2.gz	WIDBVUQLEVBIGW-FULLSBAXSA-N	0	0	595.144	2.504	1	0		KFAFRN
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2ccnc2)NC1=O	ZINC000028823473	561968276	/nfs/dbraw/zinc/96/82/76/561968276.db2.gz	OJANYNHKONQMSR-FULLSBAXSA-N	0	0	595.144	2.504	1	0		KFAFRN
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cscn2)NC1=O	ZINC000028823474	561968218	/nfs/dbraw/zinc/96/82/18/561968218.db2.gz	KFWWTCXENVBKIA-FULLSBAXSA-N	0	0	595.741	2.793	1	0		KFAFRN
CC(=O)OC[C@@]12Cc3ccc(C)c(O)c3[C@]1(C)[C@@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@H](C)[C@H](OCc3ccccc3)[C@@H]1[C@H]2O	ZINC000028823714	561968329	/nfs/dbraw/zinc/96/83/29/561968329.db2.gz	AZYFFNZMEAGTQA-HWQDMKBVSA-N	0	0	596.673	2.884	1	0		KFAFRN
CN(C)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826185	561971294	/nfs/dbraw/zinc/97/12/94/561971294.db2.gz	CXSZYFUKGRZKGC-YTQUADARSA-N	0	0	513.019	2.948	1	0		KFAFRN
O=C(N[C@@H]1C[C@@H](C(=O)N2CCOCC2)C[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1	ZINC000028826187	561971313	/nfs/dbraw/zinc/97/13/13/561971313.db2.gz	KIRAXNSWURSOKF-SESVDKBCSA-N	0	0	555.056	2.718	1	0		KFAFRN
COCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826192	561971263	/nfs/dbraw/zinc/97/12/63/561971263.db2.gz	FOTAAGYZMUUXRR-YSIASYRMSA-N	0	0	543.045	2.622	1	0		KFAFRN
CC(=O)N1C[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826210	561971311	/nfs/dbraw/zinc/97/13/11/561971311.db2.gz	ATIZSXLXYFWESC-BJKOFHAPSA-N	0	0	517.973	2.731	1	0		KFAFRN
CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826215	561971292	/nfs/dbraw/zinc/97/12/92/561971292.db2.gz	VCOPBIUVMSEQNG-ZWKOTPCHSA-N	0	0	514.991	2.922	1	0		KFAFRN
CC(C)C(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826220	561971257	/nfs/dbraw/zinc/97/12/57/561971257.db2.gz	KPXGZJJXVMJJCK-RBUKOAKNSA-N	0	0	513.019	2.948	1	0		KFAFRN
O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1	ZINC000028826222	561971266	/nfs/dbraw/zinc/97/12/66/561971266.db2.gz	CKNBLYXXVHZIRU-RBUKOAKNSA-N	0	0	511.003	2.702	1	0		KFAFRN
COC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826227	561971272	/nfs/dbraw/zinc/97/12/72/561971272.db2.gz	JRRBJEGZXRWZMH-DLBZAZTESA-N	0	0	500.964	2.531	1	0		KFAFRN
COCCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826229	561971286	/nfs/dbraw/zinc/97/12/86/561971286.db2.gz	SHUQXXJLLMCBOT-RBUKOAKNSA-N	0	0	545.017	2.548	1	0		KFAFRN
CC(C)S(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)C1	ZINC000028826232	561971298	/nfs/dbraw/zinc/97/12/98/561971298.db2.gz	GXZMYBZGCHNMIO-RBUKOAKNSA-N	0	0	549.074	2.503	1	0		KFAFRN
O=C(N[C@@H]1CN(C(=O)N2CCCC2)C[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1	ZINC000028826234	561971274	/nfs/dbraw/zinc/97/12/74/561971274.db2.gz	GMHVYIPEQITJMR-VQTJNVASSA-N	0	0	540.045	2.981	1	0		KFAFRN
O=C(OC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1	ZINC000028827227	561971557	/nfs/dbraw/zinc/97/15/57/561971557.db2.gz	MZAPDYQWIGAEQO-FCHUYYIVSA-N	0	0	512.072	2.941	1	0		KFAFRN
CC[C@@H]1CCC[C@H](C2(OC(=O)N3CCN(CCO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000028827228	561971602	/nfs/dbraw/zinc/97/16/02/561971602.db2.gz	DJWUDIFTUQYCIR-TZIWHRDSSA-N	0	0	500.061	2.941	1	0		KFAFRN
COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O	ZINC000028827335	561971753	/nfs/dbraw/zinc/97/17/53/561971753.db2.gz	RMQWYDFJHWYQBI-DYESRHJHSA-N	0	0	542.587	2.771	1	0		KFAFRN
C[S@@](=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c4cccnc4[nH]c3=O)CC2)C1=O	ZINC000028827342	561971755	/nfs/dbraw/zinc/97/17/55/561971755.db2.gz	DBCLRSQXKGHQDK-QLCRDRIZSA-N	0	0	574.654	2.503	1	0		KFAFRN
C[S@](=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c4cccnc4[nH]c3=O)CC2)C1=O	ZINC000028827343	561971756	/nfs/dbraw/zinc/97/17/56/561971756.db2.gz	DBCLRSQXKGHQDK-OSBILHBOSA-N	0	0	574.654	2.503	1	0		KFAFRN
COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2O)cc1	ZINC000028875863	561975601	/nfs/dbraw/zinc/97/56/01/561975601.db2.gz	DWTQJDVQPADYCH-GKPHSPCSSA-N	0	0	558.536	2.834	1	0		KFAFRN
CCCCCC[C@@H]([NH3+])C(=O)N[C@@H](CCCCCC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028875931	561975685	/nfs/dbraw/zinc/97/56/85/561975685.db2.gz	KYEWSRJSGDYDNJ-BDGPUAICSA-N	0	0	614.788	2.783	1	0		KFAFRN
CCCCCC[C@H]([NH3+])C(=O)N[C@@H](CCCCCC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028875936	561975654	/nfs/dbraw/zinc/97/56/54/561975654.db2.gz	KYEWSRJSGDYDNJ-MNUOIFNESA-N	0	0	614.788	2.783	1	0		KFAFRN
CCCCCC[C@@H]([NH3+])C(=O)N[C@H](CCCCCC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028875941	561975652	/nfs/dbraw/zinc/97/56/52/561975652.db2.gz	KYEWSRJSGDYDNJ-ZDEZRRDYSA-N	0	0	614.788	2.783	1	0		KFAFRN
CCCCCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCCC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028875946	561975660	/nfs/dbraw/zinc/97/56/60/561975660.db2.gz	KYEWSRJSGDYDNJ-KMQNXVAFSA-N	0	0	614.788	2.783	1	0		KFAFRN
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)OCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2	ZINC000028876876	561975800	/nfs/dbraw/zinc/97/58/00/561975800.db2.gz	JCJTURPYVKBLCV-RUZDIDTESA-N	0	0	532.571	2.868	1	0		KFAFRN
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)OCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2	ZINC000028876883	561975841	/nfs/dbraw/zinc/97/58/41/561975841.db2.gz	JCJTURPYVKBLCV-VWLOTQADSA-N	0	0	532.571	2.868	1	0		KFAFRN
CC(=O)OC1=C2C(C)[C@@H](O)C[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(O)CO[C@@H]4CC[C@@]3(C)C1=O)C2(C)C	ZINC000028880757	561976897	/nfs/dbraw/zinc/97/68/97/561976897.db2.gz	KBLMCVVFMXRTET-HDJODORFSA-N	0	0	512.599	2.996	1	0		KFAFRN
COc1ccc(Cn2c3[nH]c(Cc4cncc5cc(OC)c(OC)cc54)nc3c(=O)n(C)c2=O)cc1OC	ZINC000028882023	561977137	/nfs/dbraw/zinc/97/71/37/561977137.db2.gz	GASIRQXRLNVZSO-UHFFFAOYSA-N	0	0	517.542	2.645	1	0		KFAFRN
COc1cc2cncc(Cc3nc4c([nH]3)n(Cc3ccc(NC(C)=O)cc3)c(=O)n(C)c4=O)c2cc1OC	ZINC000028882038	561977115	/nfs/dbraw/zinc/97/71/15/561977115.db2.gz	OSEDHANUBVQCTB-UHFFFAOYSA-N	0	0	514.542	2.586	1	0		KFAFRN
COc1cc2cncc(Cc3nc4c([nH]3)n(Cc3ccc(NS(=O)(=O)C(C)C)cc3)c(=O)n(C)c4=O)c2cc1OC	ZINC000028882057	561977091	/nfs/dbraw/zinc/97/70/91/561977091.db2.gz	WBRMBHGVOUPISJ-UHFFFAOYSA-N	0	0	578.651	2.778	1	0		KFAFRN
CCOC(=O)[C@H]1N[C@@H](c2cccnc2)[C@@H](C(=O)OCC)[C@@H]1[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1	ZINC000028885032	561977450	/nfs/dbraw/zinc/97/74/50/561977450.db2.gz	SYNSCPPSIPKYLE-LYXPEZPRSA-N	0	0	540.613	2.915	1	0		KFAFRN
CCOC(=O)[C@H]1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@H]1[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC	ZINC000028885080	561977595	/nfs/dbraw/zinc/97/75/95/561977595.db2.gz	QATTYXWDHMYGEF-DJIPYLTJSA-N	0	0	542.423	2.712	1	0		KFAFRN
CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1ccc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc2c1	ZINC000028888379	561978005	/nfs/dbraw/zinc/97/80/05/561978005.db2.gz	YGWNLEXFROKQMD-ZJHRHMSFSA-N	0	0	525.579	2.645	1	0		KFAFRN
CC[C@@H](C)[C@H]1C(=O)O[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CC)C(=O)O[C@H](C)C(=O)N1C	ZINC000028897422	561979200	/nfs/dbraw/zinc/97/92/00/561979200.db2.gz	DEBCQRLYYBOYOT-DKEWRHBASA-N	0	0	631.767	2.611	1	0		KFAFRN
COc1cc2c(cc1OC)[C@@H](NC(=O)OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)[C@H]1COC(=O)[C@@H]1[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000028949053	561980417	/nfs/dbraw/zinc/98/04/17/561980417.db2.gz	DZYSZIQWHBPILE-KVAJRXCLSA-N	0	0	679.679	2.744	1	0		KFAFRN
Cn1nnnc1CC1(C2CCOCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1	ZINC000028949843	561980904	/nfs/dbraw/zinc/98/09/04/561980904.db2.gz	GQMIABUSQPZJIB-IZLXSDGUSA-N	0	0	606.171	2.883	1	0		KFAFRN
CC(C)(CO)N1CCN(C(=O)OC2([C@H]3C[C@@H](O)C[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000028950682	561981428	/nfs/dbraw/zinc/98/14/28/561981428.db2.gz	SMIMGTZNUUPWTH-ACIOBRDBSA-N	0	0	556.125	2.690	1	0		KFAFRN
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O	ZINC000028951339	561981591	/nfs/dbraw/zinc/98/15/91/561981591.db2.gz	TWGCXGKCQJSULH-VABKMULXSA-N	0	0	605.701	2.770	1	0		KFAFRN
COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(OC)c1	ZINC000028952392	561981973	/nfs/dbraw/zinc/98/19/73/561981973.db2.gz	HKPCIIRKKRTGFZ-FQEVSTJZSA-N	0	0	538.567	2.642	1	0		KFAFRN
CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)OC(C)(C)C)C1=O	ZINC000028952554	561982099	/nfs/dbraw/zinc/98/20/99/561982099.db2.gz	FQZCADRHQRKIJZ-OFNKIYASSA-N	0	0	502.575	2.802	1	0		KFAFRN
CC(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O	ZINC000028952599	561982068	/nfs/dbraw/zinc/98/20/68/561982068.db2.gz	PGQDEINUEDLBRT-BVAGGSTKSA-N	0	0	518.639	2.882	1	0		KFAFRN
Cc1cccc(C)c1CNC(=O)[C@@H]1CCN1C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O	ZINC000028953482	561982327	/nfs/dbraw/zinc/98/23/27/561982327.db2.gz	MGPBURRMQUQIAY-XQKZFRNSSA-N	0	0	585.701	2.741	1	0		KFAFRN
Cc1noc(C)c1CNC(=O)[C@H]1N(C(=O)[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)COC12CCCC2	ZINC000028953517	561982336	/nfs/dbraw/zinc/98/23/36/561982336.db2.gz	WLSFSMDYWCPRCG-WGHHUXKWSA-N	0	0	646.741	2.626	1	0		KFAFRN
OC[C@H]1C[C@@H](n2nnc3c2nc(SCCC(F)(F)F)nc3N[C@@H]2C[C@H]2c2ccccc2)[C@H](O)[C@@H]1O	ZINC000028957439	561983195	/nfs/dbraw/zinc/98/31/95/561983195.db2.gz	VKNLUKUDQMURBO-LMWURNKKSA-N	0	0	510.542	2.509	1	0		KFAFRN
OC[C@H]1C[C@@H](n2nnc3c2nc(SCCC(F)(F)F)nc3N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H](O)[C@@H]1O	ZINC000028957442	561983333	/nfs/dbraw/zinc/98/33/33/561983333.db2.gz	FSPIRRADWUCBCO-PBIXBGHESA-N	0	0	546.522	2.787	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N(C)C3CCN(C(=O)/C=C/c4ccc(CO)o4)CC3)c(F)c2)C(=O)O1	ZINC000028958968	561983670	/nfs/dbraw/zinc/98/36/70/561983670.db2.gz	FZVKEZXFBLFBMQ-IMAOXBOFSA-N	0	0	514.554	2.513	1	0		KFAFRN
CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1	ZINC000028959503	561983735	/nfs/dbraw/zinc/98/37/35/561983735.db2.gz	JKCGUWRGCYXLEC-UHFFFAOYSA-N	0	0	542.577	2.968	1	0		KFAFRN
CS(=O)(=O)c1ccccc1-c1ccc2c(c1)N(C(=O)c1cc(C(N)=O)nn1-c1ccc3onc(N)c3c1)CC2	ZINC000028959524	561983748	/nfs/dbraw/zinc/98/37/48/561983748.db2.gz	WINUQADCWAREMP-UHFFFAOYSA-N	0	0	542.577	2.968	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@@H]2Cc3cc(Br)ccc3N(Cc3cncn3C)C2=O)c1	ZINC000028965388	561984837	/nfs/dbraw/zinc/98/48/37/561984837.db2.gz	COAIFQOAJIXUQV-XMMPIXPASA-N	0	0	647.577	2.669	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@H]2Cc3cc(Br)ccc3N(Cc3cncn3C)C2=O)c1	ZINC000028965394	561984896	/nfs/dbraw/zinc/98/48/96/561984896.db2.gz	COAIFQOAJIXUQV-DEOSSOPVSA-N	0	0	647.577	2.669	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000028965894	561985010	/nfs/dbraw/zinc/98/50/10/561985010.db2.gz	VYRZGCKHQPWNHP-XLIKFSOKSA-N	0	0	597.801	2.687	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C1=O	ZINC000028965903	561984996	/nfs/dbraw/zinc/98/49/96/561984996.db2.gz	NPNYOIOLYWFCNP-WMJDNDCMSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O	ZINC000028966024	561985156	/nfs/dbraw/zinc/98/51/56/561985156.db2.gz	FTEJTXDBHVJDSS-JQPIIJRMSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)NC1=O	ZINC000028966028	561985158	/nfs/dbraw/zinc/98/51/58/561985158.db2.gz	KOONXZNSPIVCFO-JQPIIJRMSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O	ZINC000028966033	561985122	/nfs/dbraw/zinc/98/51/22/561985122.db2.gz	PLPPAFQUTLZGQM-JQPIIJRMSA-N	0	0	599.817	2.803	1	0		KFAFRN
C[C@H]([NH3+])[P@](=O)([O-])C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000028974364	561986509	/nfs/dbraw/zinc/98/65/09/561986509.db2.gz	RHOVUJYSXPHHFW-WVBUVRCRSA-N	0	0	502.577	2.805	1	0		KFAFRN
O=C(Nc1n[nH]c2nc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)c(F)cc12)C1CC1	ZINC000028975958	561986601	/nfs/dbraw/zinc/98/66/01/561986601.db2.gz	PDHCFSTZKBTAKN-UHFFFAOYSA-N	0	0	512.489	2.975	1	0		KFAFRN
C[C@H](COC(=O)NCCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028976060	561986774	/nfs/dbraw/zinc/98/67/74/561986774.db2.gz	LANKVSTYFANTNF-OAHLLOKOSA-N	0	0	543.433	2.873	1	0		KFAFRN
C[C@@H]1C[NH+]=C([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977400	561987120	/nfs/dbraw/zinc/98/71/20/561987120.db2.gz	IKHWPFMJQXXYAP-ZNOIYHFQSA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@@H]1C[NH+]=C([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977406	561987214	/nfs/dbraw/zinc/98/72/14/561987214.db2.gz	IKHWPFMJQXXYAP-VMDGZTHMSA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@@H]1C[NH+]=C([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977413	561987176	/nfs/dbraw/zinc/98/71/76/561987176.db2.gz	IKHWPFMJQXXYAP-UPRAQXHNSA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@@H]1C[NH+]=C([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977419	561987184	/nfs/dbraw/zinc/98/71/84/561987184.db2.gz	IKHWPFMJQXXYAP-ZNZDAUKMSA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@H]1C[NH+]=C([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977425	561987228	/nfs/dbraw/zinc/98/72/28/561987228.db2.gz	IKHWPFMJQXXYAP-BKTGTZMESA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@H]1C[NH+]=C([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977431	561987138	/nfs/dbraw/zinc/98/71/38/561987138.db2.gz	IKHWPFMJQXXYAP-AGRHKRQWSA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@H]1C[NH+]=C([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977437	561987156	/nfs/dbraw/zinc/98/71/56/561987156.db2.gz	IKHWPFMJQXXYAP-MJXNMMHHSA-N	0	0	544.577	2.716	1	0		KFAFRN
C[C@H]1C[NH+]=C([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1	ZINC000028977443	561987165	/nfs/dbraw/zinc/98/71/65/561987165.db2.gz	IKHWPFMJQXXYAP-FASAQXTFSA-N	0	0	544.577	2.716	1	0		KFAFRN
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](COc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977639	561987325	/nfs/dbraw/zinc/98/73/25/561987325.db2.gz	DIOXTSKLKSLESP-KWTBFXGESA-N	0	0	678.786	2.608	1	0		KFAFRN
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](COc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977652	561987274	/nfs/dbraw/zinc/98/72/74/561987274.db2.gz	DIOXTSKLKSLESP-GCCWUPBUSA-N	0	0	678.786	2.608	1	0		KFAFRN
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](COc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977658	561987293	/nfs/dbraw/zinc/98/72/93/561987293.db2.gz	DIOXTSKLKSLESP-NJTBCWBZSA-N	0	0	678.786	2.608	1	0		KFAFRN
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977663	561987305	/nfs/dbraw/zinc/98/73/05/561987305.db2.gz	RLNXXAOIKBYYIZ-OFEZKSIWSA-N	0	0	692.813	2.998	1	0		KFAFRN
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977669	561987314	/nfs/dbraw/zinc/98/73/14/561987314.db2.gz	RLNXXAOIKBYYIZ-WWEDSPNTSA-N	0	0	692.813	2.998	1	0		KFAFRN
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977675	561987333	/nfs/dbraw/zinc/98/73/33/561987333.db2.gz	RLNXXAOIKBYYIZ-MWVDVNALSA-N	0	0	692.813	2.998	1	0		KFAFRN
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3cccc(S(C)(=O)=O)c3)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000028977681	561987311	/nfs/dbraw/zinc/98/73/11/561987311.db2.gz	RLNXXAOIKBYYIZ-KKVCJECGSA-N	0	0	692.813	2.998	1	0		KFAFRN
NS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1	ZINC000028979584	561988317	/nfs/dbraw/zinc/98/83/17/561988317.db2.gz	CTYWKWPOEWEKJN-DPCFLFMUSA-N	0	0	539.060	2.807	1	0		KFAFRN
NS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1	ZINC000028979589	561988226	/nfs/dbraw/zinc/98/82/26/561988226.db2.gz	CTYWKWPOEWEKJN-JICACKBISA-N	0	0	539.060	2.807	1	0		KFAFRN
CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccc3c(c2)OCCO3)C(C)(C)C)c1O	ZINC000029037890	561988831	/nfs/dbraw/zinc/98/88/31/561988831.db2.gz	OPANBZMWDXVBKH-FQEVSTJZSA-N	0	0	515.592	2.710	1	0		KFAFRN
CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O	ZINC000029037896	561988835	/nfs/dbraw/zinc/98/88/35/561988835.db2.gz	XZECPGNWHKHNIN-IBGZPJMESA-N	0	0	501.565	2.667	1	0		KFAFRN
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)C(C)=O)cc(-c2nnnn2C)c1	ZINC000029039091	561989478	/nfs/dbraw/zinc/98/94/78/561989478.db2.gz	KVENVCIOSVIRNJ-OSPHWJPCSA-N	0	0	511.602	2.931	1	0		KFAFRN
CC(C)(NC(=O)c1cc(OS(C)(=O)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)n1)c1ccccc1	ZINC000029039566	561989962	/nfs/dbraw/zinc/98/99/62/561989962.db2.gz	QZXYBEVSGDOCGA-WNJJXGMVSA-N	0	0	698.762	2.606	1	0		KFAFRN
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1	ZINC000029039570	561990019	/nfs/dbraw/zinc/99/00/19/561990019.db2.gz	RMAQSUPUFBVKQM-ATVOGRQSSA-N	0	0	607.627	2.652	1	0		KFAFRN
CC(C)(NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1	ZINC000029039574	561990142	/nfs/dbraw/zinc/99/01/42/561990142.db2.gz	BQLIZBOGHDKYGO-LSYYVWMOSA-N	0	0	621.654	2.826	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(C(=O)N2COC[C@@H]2c2ccccc2)n1	ZINC000029039576	561990025	/nfs/dbraw/zinc/99/00/25/561990025.db2.gz	RTGUYCLJFBOMBE-NHKHRBQYSA-N	0	0	618.654	2.774	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c1nc(Cl)nc2NC1CCCC1	ZINC000029040297	561990479	/nfs/dbraw/zinc/99/04/79/561990479.db2.gz	BMRVDDGTZHJXLB-OVJGHYRJSA-N	0	0	516.986	2.770	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c1nc(Cl)nc2NC1CCCC1	ZINC000029040299	561990535	/nfs/dbraw/zinc/99/05/35/561990535.db2.gz	FFYIDMACYMMTAT-OVJGHYRJSA-N	0	0	533.054	2.935	1	0		KFAFRN
C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c1nc(Cl)nc2NC1CCCC1	ZINC000029040303	561990519	/nfs/dbraw/zinc/99/05/19/561990519.db2.gz	IKXCMIIECVYXPF-VMEXJKBYSA-N	0	0	511.048	2.677	1	0		KFAFRN
Cc1ccn([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)c1CC(=O)NCc1ccc(C(N)=[NH2+])cc1	ZINC000029040389	561990494	/nfs/dbraw/zinc/99/04/94/561990494.db2.gz	XQMDNQNXHTXZII-UHFFFAOYSA-N	0	0	522.414	2.539	1	0		KFAFRN
Cc1cc(N2CCOCC2)cc2nc(-c3c(=O)[nH]ccc3NCCn3cc(Br)c(CO)n3)[nH]c21	ZINC000029040948	561990876	/nfs/dbraw/zinc/99/08/76/561990876.db2.gz	HXZCWEOQFKZEKJ-UHFFFAOYSA-N	0	0	528.411	2.627	1	0		KFAFRN
Cc1cc(N2CCOCC2)cc2nc(-c3c(=O)[nH]ccc3NCCn3ncc(Br)c3CO)[nH]c21	ZINC000029040950	561990909	/nfs/dbraw/zinc/99/09/09/561990909.db2.gz	QNDDWGTUKYKHSA-UHFFFAOYSA-N	0	0	528.411	2.627	1	0		KFAFRN
CC(=O)CCCC[C@H](C)[C@@H]1C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000029041935	561991375	/nfs/dbraw/zinc/99/13/75/561991375.db2.gz	AOQQOEQINNPMNK-CUQWSFKASA-N	0	0	500.636	2.803	1	0		KFAFRN
C[C@H](O)CCCC[C@H](C)[C@@H]1C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000029041956	561991354	/nfs/dbraw/zinc/99/13/54/561991354.db2.gz	MKOPZQIQZWBFOD-FAGMTALCSA-N	0	0	502.652	2.595	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000029042222	561991508	/nfs/dbraw/zinc/99/15/08/561991508.db2.gz	ZMLZLWMYQDSDEB-VPWBKDPUSA-N	0	0	560.713	2.829	1	0		KFAFRN
CC(C)=Cc1nn(CCC(C)(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O	ZINC000029042794	561991663	/nfs/dbraw/zinc/99/16/63/561991663.db2.gz	ODPIHZDAKWIIIO-UHFFFAOYSA-N	0	0	523.637	2.741	1	0		KFAFRN
CC(C)(C)CCn1nc(C2=CCCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029042870	561991635	/nfs/dbraw/zinc/99/16/35/561991635.db2.gz	RWNCIIKAMWVKLG-UHFFFAOYSA-N	0	0	535.648	2.885	1	0		KFAFRN
CC(C)(C)CCn1nc(CC(C)(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029042953	561991799	/nfs/dbraw/zinc/99/17/99/561991799.db2.gz	CRDSEKPXMWCCTN-UHFFFAOYSA-N	0	0	539.680	2.906	1	0		KFAFRN
COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NC4CC4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O	ZINC000029044357	561992274	/nfs/dbraw/zinc/99/22/74/561992274.db2.gz	CNIYPPQEAOKUCO-UHFFFAOYSA-N	0	0	542.662	2.874	1	0		KFAFRN
CC(C)CCn1nc(-c2ccccc2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029048047	561993473	/nfs/dbraw/zinc/99/34/73/561993473.db2.gz	IONQWEVUSNASRV-UHFFFAOYSA-N	0	0	531.616	2.595	1	0		KFAFRN
CC(C)CCn1cc(-c2ccco2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029053939	561994767	/nfs/dbraw/zinc/99/47/67/561994767.db2.gz	KYEAHRCJFJENGE-UHFFFAOYSA-N	0	0	520.589	2.793	1	0		KFAFRN
CNC(=O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)n1	ZINC000029056367	561995051	/nfs/dbraw/zinc/99/50/51/561995051.db2.gz	FNZASHSMTSVPGT-UHFFFAOYSA-N	0	0	554.072	2.942	1	0		KFAFRN
NC(=O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)n1	ZINC000029056371	561995047	/nfs/dbraw/zinc/99/50/47/561995047.db2.gz	YUOCGAKLLPWDIP-UHFFFAOYSA-N	0	0	540.045	2.681	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029057817	561995273	/nfs/dbraw/zinc/99/52/73/561995273.db2.gz	NCGWALJTIUYMBB-UHFFFAOYSA-N	0	0	518.545	2.872	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCC(O)(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029058114	561995329	/nfs/dbraw/zinc/99/53/29/561995329.db2.gz	GNRRSCILMNXIJY-UHFFFAOYSA-N	0	0	522.989	2.775	1	0		KFAFRN
CCCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029058382	561995290	/nfs/dbraw/zinc/99/52/90/561995290.db2.gz	PQIRGDHHYVPGOT-UHFFFAOYSA-N	0	0	501.587	2.833	1	0		KFAFRN
CCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(CC)c1=O	ZINC000029058387	561995350	/nfs/dbraw/zinc/99/53/50/561995350.db2.gz	YNTUOLUMNOOQFL-UHFFFAOYSA-N	0	0	501.587	2.926	1	0		KFAFRN
CCCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029058515	561995316	/nfs/dbraw/zinc/99/53/16/561995316.db2.gz	SLHFRTFEGMLRBP-UHFFFAOYSA-N	0	0	519.577	2.972	1	0		KFAFRN
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O	ZINC000029058523	561995327	/nfs/dbraw/zinc/99/53/27/561995327.db2.gz	MVXQPTZVKKODKU-UHFFFAOYSA-N	0	0	501.587	2.833	1	0		KFAFRN
COc1cc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C	ZINC000029058773	561995447	/nfs/dbraw/zinc/99/54/47/561995447.db2.gz	DOSSCQWVJFOSEF-UHFFFAOYSA-N	0	0	538.004	2.622	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029059781	561995535	/nfs/dbraw/zinc/99/55/35/561995535.db2.gz	NIJYZDRAKAUXOS-UHFFFAOYSA-N	0	0	543.411	2.662	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029059905	561995521	/nfs/dbraw/zinc/99/55/21/561995521.db2.gz	KIALUZDOKLHLGO-UHFFFAOYSA-N	0	0	541.530	2.979	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029060037	561995524	/nfs/dbraw/zinc/99/55/24/561995524.db2.gz	WZUIISQBVTWPJF-UHFFFAOYSA-N	0	0	552.429	2.722	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029060042	561995533	/nfs/dbraw/zinc/99/55/33/561995533.db2.gz	UIKITGOEYICETD-UHFFFAOYSA-N	0	0	507.978	2.613	1	0		KFAFRN
CCOC(=O)CCNC(=O)Nc1cc2c3c(C(=O)OCC)c(C(=O)OCC)nn3c(=O)[nH]c2cc1Cl	ZINC000029060156	561995515	/nfs/dbraw/zinc/99/55/15/561995515.db2.gz	GNSOIFPOBALNNF-UHFFFAOYSA-N	0	0	521.914	2.670	1	0		KFAFRN
Cc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1	ZINC000029060197	561995519	/nfs/dbraw/zinc/99/55/19/561995519.db2.gz	IUMNNJUDXBYJQN-LJQANCHMSA-N	0	0	501.587	2.657	1	0		KFAFRN
Cc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1	ZINC000029060204	561995681	/nfs/dbraw/zinc/99/56/81/561995681.db2.gz	IUMNNJUDXBYJQN-IBGZPJMESA-N	0	0	501.587	2.657	1	0		KFAFRN
Cn1c2cc(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029060213	561995641	/nfs/dbraw/zinc/99/56/41/561995641.db2.gz	KYHLKVDUCVJGPQ-UHFFFAOYSA-N	0	0	507.978	2.613	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)c(OC)c4)n3)nc2c(=O)n(CCC)c1=O	ZINC000029060759	561995793	/nfs/dbraw/zinc/99/57/93/561995793.db2.gz	OHISSJXAHGLZQC-UHFFFAOYSA-N	0	0	509.567	2.534	1	0		KFAFRN
Cn1c2cc(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000029061398	561995827	/nfs/dbraw/zinc/99/58/27/561995827.db2.gz	FENZVXYTZBQCNH-UHFFFAOYSA-N	0	0	501.587	2.739	1	0		KFAFRN
COc1cc(Nc2nn3c(nc(C4CC4)cc3N[C@H](CO)Cc3cccnc3)c2C(N)=O)cc(OC)c1	ZINC000029123194	561996572	/nfs/dbraw/zinc/99/65/72/561996572.db2.gz	KEUKMRIEUDIXLY-SFHVURJKSA-N	0	0	503.563	2.877	1	0		KFAFRN
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC[C@@H](C)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]12	ZINC000029125186	561997398	/nfs/dbraw/zinc/99/73/98/561997398.db2.gz	QMWWCYQYJHMNJV-RAWFPBNVSA-N	0	0	526.619	2.803	1	0		KFAFRN
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC[C@H](C)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@@H]12	ZINC000029125187	561997389	/nfs/dbraw/zinc/99/73/89/561997389.db2.gz	QMWWCYQYJHMNJV-MDNRJVKUSA-N	0	0	526.619	2.803	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1	ZINC000029125231	561997332	/nfs/dbraw/zinc/99/73/32/561997332.db2.gz	BJIJZDZSZTXLJW-LNUWQFPJSA-N	0	0	669.864	2.705	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)CC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000029125232	561997371	/nfs/dbraw/zinc/99/73/71/561997371.db2.gz	NVYSIPATDQZPIZ-ZHXRJULSSA-N	0	0	669.864	2.705	1	0		KFAFRN
CCCS(=O)(=O)C[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)NCC)[C@@H]2O[C@@H](/C=C/c3ccccc3)O[C@@H]21	ZINC000029125243	561997365	/nfs/dbraw/zinc/99/73/65/561997365.db2.gz	NOCJSBZQILTNMR-OWKBWNSNSA-N	0	0	542.618	2.513	1	0		KFAFRN
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21	ZINC000029125298	561997432	/nfs/dbraw/zinc/99/74/32/561997432.db2.gz	SCVSJHQZYCMYJV-PHMFFSRISA-N	0	0	545.556	2.712	1	0		KFAFRN
CCCC[C@H](NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1nnc(-c2ccccc2)o1	ZINC000029125309	561997470	/nfs/dbraw/zinc/99/74/70/561997470.db2.gz	PTWWETUOTKEJSZ-ZEQRLZLVSA-N	0	0	597.694	2.620	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000029125358	561997440	/nfs/dbraw/zinc/99/74/40/561997440.db2.gz	WNFJYRHRMYYACB-SKARXZCPSA-N	0	0	586.730	2.784	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000029125410	561997578	/nfs/dbraw/zinc/99/75/78/561997578.db2.gz	YMYHSICHVXAVGW-PVSFAQJQSA-N	0	0	552.713	2.587	1	0		KFAFRN
NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O	ZINC000029125424	561997634	/nfs/dbraw/zinc/99/76/34/561997634.db2.gz	ATFIPDDKYWSEQD-UHFFFAOYSA-N	0	0	510.598	2.987	1	0		KFAFRN
NC(=O)CN([C@@H]1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1	ZINC000029125508	561997707	/nfs/dbraw/zinc/99/77/07/561997707.db2.gz	ODOGFTRRJUDMCV-LJQANCHMSA-N	0	0	572.068	2.772	1	0		KFAFRN
NC(=O)CN([C@H]1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1	ZINC000029125509	561997697	/nfs/dbraw/zinc/99/76/97/561997697.db2.gz	ODOGFTRRJUDMCV-IBGZPJMESA-N	0	0	572.068	2.772	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@](C)(CO)C(=O)N[C@@H](CC(C)C)C(=O)c2nnc(-c3ccccc3)o2)cc1	ZINC000029125536	561997671	/nfs/dbraw/zinc/99/76/71/561997671.db2.gz	FZVJFIVLMMSUBK-XIWHWFKQSA-N	0	0	698.843	2.525	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)O	ZINC000029125537	561997661	/nfs/dbraw/zinc/99/76/61/561997661.db2.gz	GQEDLFBYDXEWIR-YPKKFEOMSA-N	0	0	533.666	2.638	1	0		KFAFRN
CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccnc3)C2=O)c(F)c1	ZINC000029125787	561997920	/nfs/dbraw/zinc/99/79/20/561997920.db2.gz	PZOMVBSCQZEKJW-HXUWFJFHSA-N	0	0	503.577	2.765	1	0		KFAFRN
CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3cccnc3)C2=O)c(F)c1	ZINC000029125788	561997980	/nfs/dbraw/zinc/99/79/80/561997980.db2.gz	PZOMVBSCQZEKJW-FQEVSTJZSA-N	0	0	503.577	2.765	1	0		KFAFRN
Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1	ZINC000029125791	561998065	/nfs/dbraw/zinc/99/80/65/561998065.db2.gz	FSTSBIJCLOFJNO-MRXNPFEDSA-N	0	0	512.779	2.647	1	0		KFAFRN
CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(C)cc2c(C[n+]2ccc(C(=O)[O-])cc2)c1C3	ZINC000029126968	561999286	/nfs/dbraw/zinc/99/92/86/561999286.db2.gz	XMQSVZAKATXMQM-GDLZYMKVSA-O	0	0	512.542	2.812	1	0		KFAFRN
CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(C)cc2c(C[n+]2ccc(C(=O)[O-])cc2)c1C3	ZINC000029126969	561999188	/nfs/dbraw/zinc/99/91/88/561999188.db2.gz	XMQSVZAKATXMQM-LJAQVGFWSA-O	0	0	512.542	2.812	1	0		KFAFRN
C[C@@H](C(=O)NC1CCCCC1)N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1	ZINC000029127693	562000227	/nfs/dbraw/zinc/00/02/27/562000227.db2.gz	CTLXKJIPWXBOCN-YMSRPXOMSA-N	0	0	529.703	2.561	1	0		KFAFRN
O=C([C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O)N1CCSCC1	ZINC000029128032	562000437	/nfs/dbraw/zinc/00/04/37/562000437.db2.gz	BRURSPOWURURLR-KSVNGYGVSA-N	0	0	632.937	2.608	1	0		KFAFRN
O=C([C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O)N1CCCC1	ZINC000029128080	562000504	/nfs/dbraw/zinc/00/05/04/562000504.db2.gz	LPUWUJKXBAJQPQ-KSVNGYGVSA-N	0	0	600.870	2.655	1	0		KFAFRN
CCCN(C)C(=O)[C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000029128176	562000548	/nfs/dbraw/zinc/00/05/48/562000548.db2.gz	KLCIFIUHOLBBDX-KSVNGYGVSA-N	0	0	602.886	2.901	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000029128183	562000541	/nfs/dbraw/zinc/00/05/41/562000541.db2.gz	SFMIGNKEHGMRPI-WZFFGLSISA-N	0	0	680.630	2.884	1	0		KFAFRN
CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCCC[NH3+])CC(=O)NCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Br)cc1	ZINC000029128205	562000617	/nfs/dbraw/zinc/00/06/17/562000617.db2.gz	LUYNTKPBIXIUPC-HFZDXXHNSA-N	0	0	638.560	2.728	1	0		KFAFRN
CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCCC[NH3+])CC(=O)NCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Br)cc1	ZINC000029128206	562000586	/nfs/dbraw/zinc/00/05/86/562000586.db2.gz	LUYNTKPBIXIUPC-LVXARBLLSA-N	0	0	638.560	2.728	1	0		KFAFRN
CCNC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128356	562000857	/nfs/dbraw/zinc/00/08/57/562000857.db2.gz	GWBGYFMKMILOEX-FXAWDEMLSA-N	0	0	544.081	2.598	1	0		KFAFRN
CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128358	562000826	/nfs/dbraw/zinc/00/08/26/562000826.db2.gz	FYDZQEXUUIMLEQ-FXAWDEMLSA-N	0	0	544.081	2.550	1	0		KFAFRN
CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128401	562000907	/nfs/dbraw/zinc/00/09/07/562000907.db2.gz	RAMXCQDJYLSGRA-FXAWDEMLSA-N	0	0	529.066	2.805	1	0		KFAFRN
COc1ccc(NC(=O)N2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)CC2)c(OC)c1	ZINC000029128668	562001130	/nfs/dbraw/zinc/00/11/30/562001130.db2.gz	JWNHSZNFSPLBDD-IBGZPJMESA-N	0	0	515.542	2.658	1	0		KFAFRN
C[NH+]1CCN(CCN(c2cccn([O-])c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1	ZINC000029128718	562001182	/nfs/dbraw/zinc/00/11/82/562001182.db2.gz	JGESVFFMSKZGDK-UHFFFAOYSA-N	0	0	519.023	2.974	1	0		KFAFRN
CCNC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128801	562001227	/nfs/dbraw/zinc/00/12/27/562001227.db2.gz	GWBGYFMKMILOEX-XLIONFOSSA-N	0	0	544.081	2.598	1	0		KFAFRN
CCNC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128802	562001300	/nfs/dbraw/zinc/00/13/00/562001300.db2.gz	GWBGYFMKMILOEX-PXNSSMCTSA-N	0	0	544.081	2.598	1	0		KFAFRN
CCNC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128803	562001237	/nfs/dbraw/zinc/00/12/37/562001237.db2.gz	GWBGYFMKMILOEX-YLJYHZDGSA-N	0	0	544.081	2.598	1	0		KFAFRN
CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128807	562001310	/nfs/dbraw/zinc/00/13/10/562001310.db2.gz	FYDZQEXUUIMLEQ-PXNSSMCTSA-N	0	0	544.081	2.550	1	0		KFAFRN
CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128851	562001220	/nfs/dbraw/zinc/00/12/20/562001220.db2.gz	RAMXCQDJYLSGRA-XLIONFOSSA-N	0	0	529.066	2.805	1	0		KFAFRN
CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128852	562001253	/nfs/dbraw/zinc/00/12/53/562001253.db2.gz	RAMXCQDJYLSGRA-PXNSSMCTSA-N	0	0	529.066	2.805	1	0		KFAFRN
CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029128853	562001304	/nfs/dbraw/zinc/00/13/04/562001304.db2.gz	RAMXCQDJYLSGRA-YLJYHZDGSA-N	0	0	529.066	2.805	1	0		KFAFRN
O=C(Nc1cc(-c2ccn[nH]2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1	ZINC000029128901	562001474	/nfs/dbraw/zinc/00/14/74/562001474.db2.gz	SVZKFTJMAREGOJ-UHFFFAOYSA-N	0	0	502.457	2.708	1	0		KFAFRN
COC(=O)c1nnn([C@H]2C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C2)c1C(=O)OC	ZINC000029128939	562001412	/nfs/dbraw/zinc/00/14/12/562001412.db2.gz	PXFVLADEZOJPSG-IRXDYDNUSA-N	0	0	519.514	2.611	1	0		KFAFRN
COCCn1cc(-c2ccc(O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O	ZINC000029129060	562001640	/nfs/dbraw/zinc/00/16/40/562001640.db2.gz	LONQIKJTQZJXGV-UHFFFAOYSA-N	0	0	504.547	2.774	1	0		KFAFRN
COCCN1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000029129061	562001630	/nfs/dbraw/zinc/00/16/30/562001630.db2.gz	PISDRYDPMHRPDI-GHTZIAJQSA-N	0	0	531.082	2.515	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C1Cc2ccccc2C1	ZINC000029129543	562001871	/nfs/dbraw/zinc/00/18/71/562001871.db2.gz	HGKSYIYGIZBPSA-VUBDRERZSA-N	0	0	621.562	2.655	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C1Cc2ccccc2C1	ZINC000029129545	562001873	/nfs/dbraw/zinc/00/18/73/562001873.db2.gz	HGKSYIYGIZBPSA-SPHOGXRMSA-N	0	0	621.562	2.655	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)NCC(C)C)C(C)(C)C)c1ccccc1	ZINC000029129603	562001895	/nfs/dbraw/zinc/00/18/95/562001895.db2.gz	QYKYACJJBYHVHC-MYSYHGOYSA-N	0	0	681.900	2.935	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)C)C(C)(C)C)c1ccccc1	ZINC000029129605	562001885	/nfs/dbraw/zinc/00/18/85/562001885.db2.gz	QYKYACJJBYHVHC-WQOITCGXSA-N	0	0	681.900	2.935	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)NCC1CC1)C(C)(C)C)c1ccccc1	ZINC000029129693	562002035	/nfs/dbraw/zinc/00/20/35/562002035.db2.gz	RLMHSDDQSKRMLW-MYSYHGOYSA-N	0	0	679.884	2.689	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC1CC1)C(C)(C)C)c1ccccc1	ZINC000029129695	562002025	/nfs/dbraw/zinc/00/20/25/562002025.db2.gz	RLMHSDDQSKRMLW-WQOITCGXSA-N	0	0	679.884	2.689	1	0		KFAFRN
NC(=O)C(=O)[C@@H](CC1CCC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1CCCCC1)C1CCCCC1)C2(Cl)Cl	ZINC000029129706	562002082	/nfs/dbraw/zinc/00/20/82/562002082.db2.gz	VXMCRLKQRYQJOU-SPHOGXRMSA-N	0	0	612.599	2.927	1	0		KFAFRN
NC(=O)C(=O)[C@H](CC1CCC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1CCCCC1)C1CCCCC1)C2(Cl)Cl	ZINC000029129708	562002057	/nfs/dbraw/zinc/00/20/57/562002057.db2.gz	VXMCRLKQRYQJOU-VUBDRERZSA-N	0	0	612.599	2.927	1	0		KFAFRN
CCCNC(=O)[C@@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c2ccccc2)C(C)(C)C)CSC1(C)C	ZINC000029129783	562002130	/nfs/dbraw/zinc/00/21/30/562002130.db2.gz	HUULQLDPPPQAQH-CNXZJCAJSA-N	0	0	667.873	2.689	1	0		KFAFRN
CCCNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c2ccccc2)C(C)(C)C)CSC1(C)C	ZINC000029129785	562002109	/nfs/dbraw/zinc/00/21/09/562002109.db2.gz	HUULQLDPPPQAQH-OTJWULCMSA-N	0	0	667.873	2.689	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C1CCCCC1	ZINC000029129952	562002097	/nfs/dbraw/zinc/00/20/97/562002097.db2.gz	FPNPHCDQYRTRIE-HVTWWXFQSA-N	0	0	587.545	2.820	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C1CCCCC1	ZINC000029129954	562002123	/nfs/dbraw/zinc/00/21/23/562002123.db2.gz	FPNPHCDQYRTRIE-WPVAHCMFSA-N	0	0	587.545	2.820	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)c(F)c2)C(=O)O1	ZINC000029130170	562002405	/nfs/dbraw/zinc/00/24/05/562002405.db2.gz	JCPHKRXQXXFZHL-FQEVSTJZSA-N	0	0	503.962	2.972	1	0		KFAFRN
COc1cc(CC2N=NC(=S)N2c2ccc(Cl)cc2)c(S(=O)(=O)N2CCOCC2)cc1OC	ZINC000029132443	562003448	/nfs/dbraw/zinc/00/34/48/562003448.db2.gz	KYGTVSJVYVKYDH-UHFFFAOYSA-N	0	0	511.025	2.838	1	0		KFAFRN
NC(=O)CN1CCC[C@]2(CCCN2C(=O)CCNC(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)C1=O	ZINC000029134815	562004379	/nfs/dbraw/zinc/00/43/79/562004379.db2.gz	ABCKTVHPFFBQSQ-YTTGMZPUSA-N	0	0	569.662	2.610	1	0		KFAFRN
CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000029151391	562004683	/nfs/dbraw/zinc/00/46/83/562004683.db2.gz	OFHCZEICIQTTAI-VQTJNVASSA-N	0	0	525.549	2.696	1	0		KFAFRN
O[C@H]1[C@@H](c2ccon2)O[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H]1O	ZINC000029203188	562004755	/nfs/dbraw/zinc/00/47/55/562004755.db2.gz	BBYMTSRJCMVUJS-FSZRXZPDSA-N	0	0	554.732	2.676	1	0		KFAFRN
CN1CC(=O)N(CC(=O)NCc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)C1=O	ZINC000029206764	562005328	/nfs/dbraw/zinc/00/53/28/562005328.db2.gz	AJOOQKDCBQLRIU-UHFFFAOYSA-N	0	0	559.579	2.704	1	0		KFAFRN
CN(Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1)C(=O)CN1C(=O)CNC1=O	ZINC000029209223	562005564	/nfs/dbraw/zinc/00/55/64/562005564.db2.gz	SEYQKZZQMCJGNS-UHFFFAOYSA-N	0	0	559.579	2.704	1	0		KFAFRN
O=C(Cn1ccc(N2CCOCC2)nc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1	ZINC000029209984	562005673	/nfs/dbraw/zinc/00/56/73/562005673.db2.gz	TYMAGDHTHBFHTQ-UHFFFAOYSA-N	0	0	626.670	2.904	1	0		KFAFRN
Cn1ncc2c1ncn(CC(=O)NCc1cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o1)c2=O	ZINC000029211482	562005756	/nfs/dbraw/zinc/00/57/56/562005756.db2.gz	MCOHHOJGHALJFZ-UHFFFAOYSA-N	0	0	595.616	2.954	1	0		KFAFRN
O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000029212312	562005954	/nfs/dbraw/zinc/00/59/54/562005954.db2.gz	YYTYMENWZQHVGX-CKOJHNACSA-N	0	0	515.566	2.641	1	0		KFAFRN
COc1cc(CN(CCN(Cc2cc(OC)c(OC)c(OC)c2)C(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)cc(OC)c1OC	ZINC000029212866	562006020	/nfs/dbraw/zinc/00/60/20/562006020.db2.gz	NVLCSIMTYDEIIY-UHFFFAOYSA-N	0	0	666.677	2.763	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCOCC1	ZINC000029213338	562006142	/nfs/dbraw/zinc/00/61/42/562006142.db2.gz	UQYOXWMTMMKIAU-QMVABORWSA-N	0	0	692.945	2.914	1	0		KFAFRN
O=C1CN([C@@H]2CCN(CCc3cnccn3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12	ZINC000029222030	562007293	/nfs/dbraw/zinc/00/72/93/562007293.db2.gz	RBDTXUKCFPFLRR-WIISGGPLSA-N	0	0	550.619	2.689	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)nc2c(=O)n(CCC)c1=O	ZINC000029224251	562007896	/nfs/dbraw/zinc/00/78/96/562007896.db2.gz	ZIBWFVDSZPVPJC-UHFFFAOYSA-N	0	0	544.410	2.887	1	0		KFAFRN
CCOC(=O)[C@@H](CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)C=CC2	ZINC000029224663	562007835	/nfs/dbraw/zinc/00/78/35/562007835.db2.gz	LNTMHVQVPOJUBZ-VQTJNVASSA-N	0	0	593.493	2.728	1	0		KFAFRN
CCOC(=O)[C@H](CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)C=CC2	ZINC000029224669	562007868	/nfs/dbraw/zinc/00/78/68/562007868.db2.gz	LNTMHVQVPOJUBZ-PMACEKPBSA-N	0	0	593.493	2.728	1	0		KFAFRN
CCOC(=O)[C@@H](CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2n(c1=O)[C@@H](C(=O)NCc1ccc(N)nc1C)C=CC2	ZINC000029224675	562007846	/nfs/dbraw/zinc/00/78/46/562007846.db2.gz	LNTMHVQVPOJUBZ-WOJBJXKFSA-N	0	0	593.493	2.728	1	0		KFAFRN
CCOC(=O)[C@H](CSc1ccc(Cl)c(Cl)c1)n1c(=O)n2n(c1=O)[C@@H](C(=O)NCc1ccc(N)nc1C)C=CC2	ZINC000029224682	562007818	/nfs/dbraw/zinc/00/78/18/562007818.db2.gz	LNTMHVQVPOJUBZ-UXHICEINSA-N	0	0	593.493	2.728	1	0		KFAFRN
CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2[N-]S(=O)(=O)C(F)(F)F)CC1	ZINC000029225131	562007964	/nfs/dbraw/zinc/00/79/64/562007964.db2.gz	MJXREPFMLXCYTE-OAQYLSRUSA-N	0	0	569.650	2.842	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Br)cc3)C(=O)OC(C)C)c(=O)n21	ZINC000029225848	562008143	/nfs/dbraw/zinc/00/81/43/562008143.db2.gz	IPHXTHFPIGKWPU-LEWJYISDSA-N	0	0	617.526	2.572	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Br)cc3)C(=O)OC(C)C)c(=O)n21	ZINC000029225853	562008220	/nfs/dbraw/zinc/00/82/20/562008220.db2.gz	IPHXTHFPIGKWPU-SFTDATJTSA-N	0	0	617.526	2.572	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Br)cc3)C(=O)OC(C)C)c(=O)n21	ZINC000029225859	562008250	/nfs/dbraw/zinc/00/82/50/562008250.db2.gz	IPHXTHFPIGKWPU-NHCUHLMSSA-N	0	0	617.526	2.572	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Br)cc3)C(=O)OC(C)C)c(=O)n21	ZINC000029225864	562008211	/nfs/dbraw/zinc/00/82/11/562008211.db2.gz	IPHXTHFPIGKWPU-RTWAWAEBSA-N	0	0	617.526	2.572	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nn3)nc2c(=O)n(CCC)c1=O	ZINC000029226064	562008272	/nfs/dbraw/zinc/00/82/72/562008272.db2.gz	ANRXJTQUUKQYBV-UHFFFAOYSA-N	0	0	589.394	2.785	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Cl)c(Cl)c3)C(=O)N3CCCC3)c(=O)n21	ZINC000029226248	562008240	/nfs/dbraw/zinc/00/82/40/562008240.db2.gz	VYXHRFWVUATLSI-VXKWHMMOSA-N	0	0	618.547	2.787	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Cl)c(Cl)c3)C(=O)N3CCCC3)c(=O)n21	ZINC000029226254	562008224	/nfs/dbraw/zinc/00/82/24/562008224.db2.gz	VYXHRFWVUATLSI-YADHBBJMSA-N	0	0	618.547	2.787	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Cl)c(Cl)c3)C(=O)N3CCCC3)c(=O)n21	ZINC000029226260	562008231	/nfs/dbraw/zinc/00/82/31/562008231.db2.gz	VYXHRFWVUATLSI-FCHUYYIVSA-N	0	0	618.547	2.787	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Cl)c(Cl)c3)C(=O)N3CCCC3)c(=O)n21	ZINC000029226266	562008236	/nfs/dbraw/zinc/00/82/36/562008236.db2.gz	VYXHRFWVUATLSI-FGZHOGPDSA-N	0	0	618.547	2.787	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1	ZINC000029227668	562008649	/nfs/dbraw/zinc/00/86/49/562008649.db2.gz	CFWZGBNPCMHIRF-YHJUQXRGSA-N	0	0	741.890	2.899	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000029227674	562008617	/nfs/dbraw/zinc/00/86/17/562008617.db2.gz	CFWZGBNPCMHIRF-PMXGJBDTSA-N	0	0	741.890	2.899	1	0		KFAFRN
CC[C@@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(F)(F)F	ZINC000029227839	562008782	/nfs/dbraw/zinc/00/87/82/562008782.db2.gz	PSUCIGILXXGIST-BWIKSPBFSA-N	0	0	662.710	2.584	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(F)(F)F	ZINC000029227845	562008729	/nfs/dbraw/zinc/00/87/29/562008729.db2.gz	PSUCIGILXXGIST-NUNVBAQMSA-N	0	0	662.710	2.584	1	0		KFAFRN
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1	ZINC000029228923	562009003	/nfs/dbraw/zinc/00/90/03/562009003.db2.gz	PPVHSXJZSPOWMU-LJQANCHMSA-N	0	0	566.663	2.783	1	0		KFAFRN
CCCCOC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCCCC	ZINC000029229295	562009040	/nfs/dbraw/zinc/00/90/40/562009040.db2.gz	SPTBIJLJJBZGDY-OAQYLSRUSA-N	0	0	566.663	2.786	1	0		KFAFRN
CCCCNC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCc1ccccc1	ZINC000029231174	562009303	/nfs/dbraw/zinc/00/93/03/562009303.db2.gz	HFDYYBDNNGQZQJ-XMMPIXPASA-N	0	0	599.696	2.759	1	0		KFAFRN
CCCCNC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCc1ccccc1	ZINC000029231181	562009267	/nfs/dbraw/zinc/00/92/67/562009267.db2.gz	HFDYYBDNNGQZQJ-DEOSSOPVSA-N	0	0	599.696	2.759	1	0		KFAFRN
CCCCOC(=O)[C@@H](CCC(=O)OCc1cccnc1)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1	ZINC000029240066	562010070	/nfs/dbraw/zinc/01/00/70/562010070.db2.gz	GYYIJWYJTDRFDY-HSZRJFAPSA-N	0	0	601.668	2.581	1	0		KFAFRN
CCCCOC(=O)[C@H](CCC(=O)OCc1cccnc1)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1	ZINC000029240074	562010050	/nfs/dbraw/zinc/01/00/50/562010050.db2.gz	GYYIJWYJTDRFDY-QHCPKHFHSA-N	0	0	601.668	2.581	1	0		KFAFRN
CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)cc1	ZINC000029241767	562010165	/nfs/dbraw/zinc/01/01/65/562010165.db2.gz	HPAONGVVQJFOPD-QHCPKHFHSA-N	0	0	638.726	2.719	1	0		KFAFRN
CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc1	ZINC000029241773	562010152	/nfs/dbraw/zinc/01/01/52/562010152.db2.gz	HPAONGVVQJFOPD-HSZRJFAPSA-N	0	0	638.726	2.719	1	0		KFAFRN
CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)nc2c1=O	ZINC000029253234	562011371	/nfs/dbraw/zinc/01/13/71/562011371.db2.gz	YZDSUMFAGBKOQD-UHFFFAOYSA-N	0	0	532.601	2.616	1	0		KFAFRN
O=C([O-])[C@@H](Cc1ccc(NC(=O)c2cccc(NC3=[NH+]CCCN3)c2)cc1)NS(=O)(=O)c1ccccc1	ZINC000029311349	562012046	/nfs/dbraw/zinc/01/20/46/562012046.db2.gz	BDFMVIGZRRIXCL-HSZRJFAPSA-N	0	0	521.599	2.674	1	0		KFAFRN
O=C([O-])[C@H](Cc1ccc(NC(=O)c2cccc(NC3=[NH+]CCCN3)c2)cc1)NS(=O)(=O)c1ccccc1	ZINC000029311355	562012102	/nfs/dbraw/zinc/01/21/02/562012102.db2.gz	BDFMVIGZRRIXCL-QHCPKHFHSA-N	0	0	521.599	2.674	1	0		KFAFRN
CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)nc2c1=O	ZINC000029317570	562012626	/nfs/dbraw/zinc/01/26/26/562012626.db2.gz	MJIYDMYTCXKFFM-UHFFFAOYSA-N	0	0	560.611	2.740	1	0		KFAFRN
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029319837	562012864	/nfs/dbraw/zinc/01/28/64/562012864.db2.gz	XREIFIISJJEDKU-URORMMCBSA-N	0	0	510.594	2.803	1	0		KFAFRN
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000029320420	562013029	/nfs/dbraw/zinc/01/30/29/562013029.db2.gz	FLFUWPSHMZLVFK-URORMMCBSA-N	0	0	526.593	2.509	1	0		KFAFRN
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC(CCO)CC2)C1	ZINC000029321980	562013089	/nfs/dbraw/zinc/01/30/89/562013089.db2.gz	ZVNJUKVQOLXDDZ-QFIPXVFZSA-N	0	0	500.665	2.586	1	0		KFAFRN
COc1cc([C@@H]2c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3C[C@@H]3COC(=O)[C@@H]32)cc(OC)c1OC(C)=O	ZINC000029323873	562013173	/nfs/dbraw/zinc/01/31/73/562013173.db2.gz	HRVRFUHRCQQTLC-VEYWIMSWSA-N	0	0	556.520	2.882	1	0		KFAFRN
COc1cc([C@@H]2c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3C[C@H]3COC(=O)[C@@H]32)cc(OC)c1OC(C)=O	ZINC000029323877	562013131	/nfs/dbraw/zinc/01/31/31/562013131.db2.gz	HRVRFUHRCQQTLC-VWMXVWASSA-N	0	0	556.520	2.882	1	0		KFAFRN
O=C(N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCN(c2ccccn2)CC1)NC1N=NC(=S)S1	ZINC000029329442	562013731	/nfs/dbraw/zinc/01/37/31/562013731.db2.gz	OHBSIIOTSUMCLG-NSHDSACASA-N	0	0	559.546	2.999	1	0		KFAFRN
COC(=O)CCCCCCCCOC(=O)/C=C(\C)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O	ZINC000029329727	562013752	/nfs/dbraw/zinc/01/37/52/562013752.db2.gz	CJKAHSOGVKAYJX-WCXGUWDOSA-N	0	0	514.656	2.681	1	0		KFAFRN
COC(=O)CCCCCCCCOC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O	ZINC000029329732	562013746	/nfs/dbraw/zinc/01/37/46/562013746.db2.gz	CJKAHSOGVKAYJX-KPPUQUFASA-N	0	0	514.656	2.681	1	0		KFAFRN
CN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O	ZINC000029329821	562013737	/nfs/dbraw/zinc/01/37/37/562013737.db2.gz	ZRAZVNVATHTTIC-OBBCHVIHSA-N	0	0	640.782	2.840	1	0		KFAFRN
CON1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O	ZINC000029329831	562013723	/nfs/dbraw/zinc/01/37/23/562013723.db2.gz	PKTPYJKZNRWOPT-OBBCHVIHSA-N	0	0	656.781	2.771	1	0		KFAFRN
C[C@H](CCC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C	ZINC000029331519	562013894	/nfs/dbraw/zinc/01/38/94/562013894.db2.gz	LSOOBIQEHGLKMZ-LKVBQOGYSA-N	0	0	635.809	2.633	1	0		KFAFRN
C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C	ZINC000029331528	562013890	/nfs/dbraw/zinc/01/38/90/562013890.db2.gz	FTGXNJJEROSIGH-UCHLLNTJSA-N	0	0	578.757	2.559	1	0		KFAFRN
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1	ZINC000029333382	562014139	/nfs/dbraw/zinc/01/41/39/562014139.db2.gz	OBJFLCPZEZHBRV-SDHOMARFSA-N	0	0	527.687	2.856	1	0		KFAFRN
Cc1csc(C[C@@H](NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1	ZINC000029335611	562014327	/nfs/dbraw/zinc/01/43/27/562014327.db2.gz	LWJIZXMIKKRPQT-HXUWFJFHSA-N	0	0	520.721	2.956	1	0		KFAFRN
Cc1csc(C[C@H](NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)C(=O)N2CCC(CCO)CC2)n1	ZINC000029335616	562014361	/nfs/dbraw/zinc/01/43/61/562014361.db2.gz	LWJIZXMIKKRPQT-FQEVSTJZSA-N	0	0	520.721	2.956	1	0		KFAFRN
C[C@@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1	ZINC000029339197	562014884	/nfs/dbraw/zinc/01/48/84/562014884.db2.gz	CBZHMZQAEBODOA-AVRDEDQJSA-N	0	0	526.659	2.943	1	0		KFAFRN
C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3o2)C(=O)N2CCC(CCO)CC2)C1	ZINC000029339200	562014914	/nfs/dbraw/zinc/01/49/14/562014914.db2.gz	CBZHMZQAEBODOA-GCJKJVERSA-N	0	0	526.659	2.943	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)COC(C)C	ZINC000029339405	562014900	/nfs/dbraw/zinc/01/49/00/562014900.db2.gz	BDIKGNMEHBPIPP-FCJDFRRUSA-N	0	0	507.672	2.944	1	0		KFAFRN
CC1(C)CNc2c(cccc2S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)N2CCC(CCO)CC2)C1	ZINC000029340682	562015133	/nfs/dbraw/zinc/01/51/33/562015133.db2.gz	FFINFWHSCOFNNH-JOCHJYFZSA-N	0	0	500.665	2.586	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1	ZINC000029342359	562015531	/nfs/dbraw/zinc/01/55/31/562015531.db2.gz	YNLLRQYTVDPDQA-AWCRTANDSA-N	0	0	588.705	2.849	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2CCCC2)c1=O	ZINC000029342533	562015584	/nfs/dbraw/zinc/01/55/84/562015584.db2.gz	IYFIVUYOONNQRY-DPAYKPLSSA-N	0	0	536.629	2.630	1	0		KFAFRN
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NC1=O	ZINC000029342762	562015571	/nfs/dbraw/zinc/01/55/71/562015571.db2.gz	PHSCYXHYNYENOQ-MYHRABSESA-N	0	0	653.825	2.803	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1	ZINC000029343183	562015778	/nfs/dbraw/zinc/01/57/78/562015778.db2.gz	NCXLMUDYABILBF-OBBCHVIHSA-N	0	0	640.782	2.888	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)CC(C)C	ZINC000029343262	562015766	/nfs/dbraw/zinc/01/57/66/562015766.db2.gz	GGJQHHDYMXXKAP-LGTXBLIGSA-N	0	0	635.828	2.536	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)COC(C)C	ZINC000029343274	562015726	/nfs/dbraw/zinc/01/57/26/562015726.db2.gz	HOFGDBTZCYBJSI-KEVKATSASA-N	0	0	573.735	2.890	1	0		KFAFRN
C[NH+](C)CCCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000029344512	562016025	/nfs/dbraw/zinc/01/60/25/562016025.db2.gz	SWJCUTZYGHVHSE-GGAORHGYSA-N	0	0	511.575	2.599	1	0		KFAFRN
CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1	ZINC000029347037	562016363	/nfs/dbraw/zinc/01/63/63/562016363.db2.gz	ANSOAQAXFOZHJD-ZNZIZOMTSA-N	0	0	554.688	2.796	1	0		KFAFRN
CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1	ZINC000029347041	562016342	/nfs/dbraw/zinc/01/63/42/562016342.db2.gz	ANSOAQAXFOZHJD-GSDHBNRESA-N	0	0	554.688	2.796	1	0		KFAFRN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1	ZINC000029347377	562016453	/nfs/dbraw/zinc/01/64/53/562016453.db2.gz	DLKIVIXCKLXJDJ-GSDHBNRESA-N	0	0	554.688	2.652	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1	ZINC000029348025	562016606	/nfs/dbraw/zinc/01/66/06/562016606.db2.gz	XZYAJHUBJQHJBU-PZYJALBSSA-N	0	0	554.688	2.652	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)c1ccccc1	ZINC000029390081	562017162	/nfs/dbraw/zinc/01/71/62/562017162.db2.gz	GURAVJCCCLFAMQ-XDWXJERXSA-N	0	0	589.755	2.993	1	0		KFAFRN
O=C(C[C@H]1S[C@H](c2ccncc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc21	ZINC000029392125	562017728	/nfs/dbraw/zinc/01/77/28/562017728.db2.gz	SNIIIOKIMZKCCI-PDDLMNHVSA-N	0	0	561.708	2.722	1	0		KFAFRN
O=C(C[C@H]1S[C@H](c2ccco2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc21	ZINC000029392963	562017761	/nfs/dbraw/zinc/01/77/61/562017761.db2.gz	ORUPLLPDCNGBRS-VAVYLYDRSA-N	0	0	550.681	2.920	1	0		KFAFRN
O=C(C[C@H]1S[C@H](c2ccoc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc21	ZINC000029393343	562017972	/nfs/dbraw/zinc/01/79/72/562017972.db2.gz	GPOMUXNJWQZMTB-VAVYLYDRSA-N	0	0	550.681	2.920	1	0		KFAFRN
CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2N(S(=O)(=O)c3ccn(C)n3)CSC2(C)C)C(=O)OCC(C)(C)C)cc1	ZINC000029394097	562018202	/nfs/dbraw/zinc/01/82/02/562018202.db2.gz	OVSJENUSNKIZTF-RBBKRZOGSA-N	0	0	609.771	2.640	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O	ZINC000029395195	562018409	/nfs/dbraw/zinc/01/84/09/562018409.db2.gz	DMEUCWDOSVXQPQ-VVVXHSQNSA-N	0	0	611.602	2.589	1	0		KFAFRN
CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2N(S(=O)(=O)c3ccn(C)n3)CSC2(C)C)C(=O)OCCOc2ccccc2)cc1	ZINC000029396819	562018690	/nfs/dbraw/zinc/01/86/90/562018690.db2.gz	XREMMHCOKBDMDI-AZGAKELHSA-N	0	0	659.787	2.672	1	0		KFAFRN
CC(C)CCS(=O)(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000029397044	562018845	/nfs/dbraw/zinc/01/88/45/562018845.db2.gz	ALPWRSQIBZHTHM-WXIAYYLYSA-N	0	0	649.855	2.926	1	0		KFAFRN
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	ZINC000029399947	562019510	/nfs/dbraw/zinc/01/95/10/562019510.db2.gz	GIAXCNRSAQWXSM-JAUHRSLLSA-N	0	0	549.477	2.768	1	0		KFAFRN
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H]3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	ZINC000029399950	562019518	/nfs/dbraw/zinc/01/95/18/562019518.db2.gz	GIAXCNRSAQWXSM-PYJXJXBRSA-N	0	0	549.477	2.768	1	0		KFAFRN
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O	ZINC000029400112	562019505	/nfs/dbraw/zinc/01/95/05/562019505.db2.gz	CSVWVGRJWUUHQN-LRAUYJCASA-N	0	0	716.839	2.751	1	0		KFAFRN
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Sc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	ZINC000029401611	562019713	/nfs/dbraw/zinc/01/97/13/562019713.db2.gz	ZZONCTBBLSRPDS-BERDZHIHSA-N	0	0	531.993	2.762	1	0		KFAFRN
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H]3c4ccccc4Sc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	ZINC000029401615	562019738	/nfs/dbraw/zinc/01/97/38/562019738.db2.gz	ZZONCTBBLSRPDS-AEDREYMTSA-N	0	0	531.993	2.762	1	0		KFAFRN
CNC(=O)c1cccc(CN2[C@@H](COc3ccccc3)[C@@H](O)[C@H](O)[C@H](COc3ccccc3)N(Cc3cccc(C(=O)NC)c3)S2(=O)=O)c1	ZINC000029405875	562020563	/nfs/dbraw/zinc/02/05/63/562020563.db2.gz	JXCRNYYHOBWABD-PSWJWLENSA-N	0	0	688.803	2.585	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)N3CCN(C)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000029405896	562020675	/nfs/dbraw/zinc/02/06/75/562020675.db2.gz	HBDVKOOBLBVMMO-AQQYAXHUSA-N	0	0	539.629	2.641	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)N3CCN(C)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000029405899	562020681	/nfs/dbraw/zinc/02/06/81/562020681.db2.gz	HBDVKOOBLBVMMO-SYFBOLAPSA-N	0	0	539.629	2.641	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000029406742	562020832	/nfs/dbraw/zinc/02/08/32/562020832.db2.gz	LCEMPROBZTUMGT-OGQUQBCCSA-N	0	0	728.847	2.877	1	0		KFAFRN
CCCCCCNC(=O)CN1CC(=O)N[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O	ZINC000029407437	562020958	/nfs/dbraw/zinc/02/09/58/562020958.db2.gz	IIVXQCLLWZHWQG-QFIPXVFZSA-N	0	0	511.619	2.945	1	0		KFAFRN
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-]	ZINC000029410268	562021583	/nfs/dbraw/zinc/02/15/83/562021583.db2.gz	OAXIYDWDKICQCU-PVHODMMVSA-N	0	0	572.662	2.757	1	0		KFAFRN
O=S1(=O)N(Cc2ccc(CO)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(CO)cc1	ZINC000029410949	562021694	/nfs/dbraw/zinc/02/16/94/562021694.db2.gz	AWUYZKRFZVNVEM-PSWJWLENSA-N	0	0	634.751	2.851	1	0		KFAFRN
O=S1(=O)N(Cc2cccc(CCO)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(CCO)c1	ZINC000029411961	562021898	/nfs/dbraw/zinc/02/18/98/562021898.db2.gz	HOSLSXONLCDFQY-CLLHQPRTSA-N	0	0	662.805	2.936	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000029414492	562022613	/nfs/dbraw/zinc/02/26/13/562022613.db2.gz	FXDUGRSXXWXCQP-AHPZGFCPSA-N	0	0	531.738	2.658	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000029414495	562022595	/nfs/dbraw/zinc/02/25/95/562022595.db2.gz	FXDUGRSXXWXCQP-KHNMEUAJSA-N	0	0	531.738	2.658	1	0		KFAFRN
CC[C@H]1[C@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@H]1C(=O)N1CCOCC1	ZINC000029414878	562022640	/nfs/dbraw/zinc/02/26/40/562022640.db2.gz	MUNQGAHPVJUYDH-NHUCAYLPSA-N	0	0	606.830	2.525	1	0		KFAFRN
Cc1ncsc1CCNC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O	ZINC000029415097	562022788	/nfs/dbraw/zinc/02/27/88/562022788.db2.gz	HDXMCPUBYMWVNU-UHFFFAOYSA-N	0	0	513.066	2.511	1	0		KFAFRN
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-]	ZINC000029417117	562023119	/nfs/dbraw/zinc/02/31/19/562023119.db2.gz	XRMBIGJNWMJAJO-PKTNWEFCSA-N	0	0	602.688	2.766	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000029417127	562023161	/nfs/dbraw/zinc/02/31/61/562023161.db2.gz	FXDUGRSXXWXCQP-HMZHQOCUSA-N	0	0	531.738	2.658	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000029417130	562023153	/nfs/dbraw/zinc/02/31/53/562023153.db2.gz	FXDUGRSXXWXCQP-CPFCZLQXSA-N	0	0	531.738	2.658	1	0		KFAFRN
CC[C@@H]1[C@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@H]1C(=O)N1CCOCC1	ZINC000029417231	562023123	/nfs/dbraw/zinc/02/31/23/562023123.db2.gz	MUNQGAHPVJUYDH-JIHIRQPLSA-N	0	0	606.830	2.525	1	0		KFAFRN
CC[C@@H]1[C@@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@@H]1C(=O)N1CCOCC1	ZINC000029462006	562023258	/nfs/dbraw/zinc/02/32/58/562023258.db2.gz	MUNQGAHPVJUYDH-NLABLYSUSA-N	0	0	606.830	2.525	1	0		KFAFRN
CC[C@H]1[C@@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@@H]1C(=O)N1CCOCC1	ZINC000029462300	562023380	/nfs/dbraw/zinc/02/33/80/562023380.db2.gz	MUNQGAHPVJUYDH-UMURLBKASA-N	0	0	606.830	2.525	1	0		KFAFRN
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCS(=O)(=O)C(C)C	ZINC000029465397	562024217	/nfs/dbraw/zinc/02/42/17/562024217.db2.gz	ANXBKJHIJWQCHH-DZUOILHNSA-N	0	0	647.839	2.824	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCS(=O)(=O)CC(C)C	ZINC000029466555	562024470	/nfs/dbraw/zinc/02/44/70/562024470.db2.gz	OHSLOABMMVYBJJ-LFBFJMOVSA-N	0	0	583.792	2.980	1	0		KFAFRN
C[C@@H]1C[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000029467108	562024637	/nfs/dbraw/zinc/02/46/37/562024637.db2.gz	WPVXURMEZMZRIW-FUMWKDJESA-N	0	0	552.697	2.689	1	0		KFAFRN
C[C@H]1C[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000029467111	562024654	/nfs/dbraw/zinc/02/46/54/562024654.db2.gz	WPVXURMEZMZRIW-ZRAXWAAYSA-N	0	0	552.697	2.689	1	0		KFAFRN
C[C@@H]1C[C@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000029467114	562024611	/nfs/dbraw/zinc/02/46/11/562024611.db2.gz	WPVXURMEZMZRIW-VWBWHSRESA-N	0	0	552.697	2.689	1	0		KFAFRN
C[C@H]1C[C@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000029467116	562024603	/nfs/dbraw/zinc/02/46/03/562024603.db2.gz	WPVXURMEZMZRIW-OHCWECHISA-N	0	0	552.697	2.689	1	0		KFAFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000029467152	562024618	/nfs/dbraw/zinc/02/46/18/562024618.db2.gz	RJNJLNSMOSAGFS-LPVSQLPHSA-N	0	0	507.480	2.680	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cc(Cl)cc(Cl)c1	ZINC000029467210	562024615	/nfs/dbraw/zinc/02/46/15/562024615.db2.gz	XQEPNPPNROAEOP-VACNSIIOSA-N	0	0	534.289	2.960	1	0		KFAFRN
Cc1nc(N)ccc1CNC(=O)Cn1c(C2CC2)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O	ZINC000029467636	562024892	/nfs/dbraw/zinc/02/48/92/562024892.db2.gz	CFLWQDYWSOLXMN-UHFFFAOYSA-N	0	0	516.023	2.923	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000029469136	562025129	/nfs/dbraw/zinc/02/51/29/562025129.db2.gz	XUYFUIBPVTXNAH-GINGEPRDSA-N	0	0	541.497	2.876	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1	ZINC000029472947	562025960	/nfs/dbraw/zinc/02/59/60/562025960.db2.gz	IFTQDGRYVXWWMV-LRGATONKSA-N	0	0	714.932	2.883	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1	ZINC000029472953	562025949	/nfs/dbraw/zinc/02/59/49/562025949.db2.gz	IFTQDGRYVXWWMV-OUFRBCGBSA-N	0	0	714.932	2.883	1	0		KFAFRN
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1ccncc1)C(C)C	ZINC000029474393	562026237	/nfs/dbraw/zinc/02/62/37/562026237.db2.gz	KNJCHXFHKIALIV-GVQQRXEKSA-N	0	0	694.940	2.908	1	0		KFAFRN
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1ccncc1)C(C)C	ZINC000029474397	562026224	/nfs/dbraw/zinc/02/62/24/562026224.db2.gz	KNJCHXFHKIALIV-NVVJBRLPSA-N	0	0	694.940	2.908	1	0		KFAFRN
C[C@H]1C(=O)N(C(=O)C2CC2)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccc4c3cccc4N(C)C)[C@@H]12	ZINC000029476090	562026479	/nfs/dbraw/zinc/02/64/79/562026479.db2.gz	FTRJQCNESCLCSI-OOGFAMDPSA-N	0	0	552.697	2.833	1	0		KFAFRN
C[C@H]1C(=O)N(C(=O)C2CC2)[C@@H]2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccc4c3cccc4N(C)C)[C@@H]12	ZINC000029476094	562026445	/nfs/dbraw/zinc/02/64/45/562026445.db2.gz	FTRJQCNESCLCSI-WTNCGITKSA-N	0	0	552.697	2.833	1	0		KFAFRN
CCOC(=O)CCCCn1c2ccsc2c(=O)n(CCN2CCN(c3ccccc3OC)CC2)c1=O	ZINC000029479081	562026896	/nfs/dbraw/zinc/02/68/96/562026896.db2.gz	GGDIFFLYPNXZQS-UHFFFAOYSA-N	0	0	514.648	2.789	1	0		KFAFRN
COc1ccc(C(=O)n2c3cscc3c(=O)n(CCN3CCN(c4ccccc4OC)CC3)c2=O)cc1	ZINC000029480137	562027070	/nfs/dbraw/zinc/02/70/70/562027070.db2.gz	UTYJNSWVFSDQFR-UHFFFAOYSA-N	0	0	520.611	2.753	1	0		KFAFRN
Cc1cccc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)c1	ZINC000029480804	562027361	/nfs/dbraw/zinc/02/73/61/562027361.db2.gz	MHFSJUCWWFMOHE-KLJDGLGGSA-N	0	0	547.677	2.929	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1	ZINC000029481366	562027318	/nfs/dbraw/zinc/02/73/18/562027318.db2.gz	PXPQXPHZRUMEEM-GNKBHMEESA-N	0	0	533.650	2.621	1	0		KFAFRN
Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)cc1	ZINC000029483815	562027873	/nfs/dbraw/zinc/02/78/73/562027873.db2.gz	XOEGAHSXKSPRCN-KLJDGLGGSA-N	0	0	547.677	2.929	1	0		KFAFRN
CCOC(=O)C1=C(COCCn2nncc2C(N)=O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000029484806	562027999	/nfs/dbraw/zinc/02/79/99/562027999.db2.gz	XYPFLPZKUOTGPI-YFJJEWJYSA-N	0	0	503.943	2.539	1	0		KFAFRN
CCOC(=O)C1=C(COCCn2nncc2C(N)=O)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000029484809	562028029	/nfs/dbraw/zinc/02/80/29/562028029.db2.gz	XYPFLPZKUOTGPI-VKQKAZQBSA-N	0	0	503.943	2.539	1	0		KFAFRN
CCOC(=O)C1=C(COCCn2cc(C(N)=O)nn2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000029485119	562028122	/nfs/dbraw/zinc/02/81/22/562028122.db2.gz	CCVXIFHZZOGTQS-YFJJEWJYSA-N	0	0	503.943	2.539	1	0		KFAFRN
CCOC(=O)C1=C(COCCn2cc(C(N)=O)nn2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000029485122	562028084	/nfs/dbraw/zinc/02/80/84/562028084.db2.gz	CCVXIFHZZOGTQS-VKQKAZQBSA-N	0	0	503.943	2.539	1	0		KFAFRN
Cc1nc(-c2ccc(C(N)=O)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000029485610	562028259	/nfs/dbraw/zinc/02/82/59/562028259.db2.gz	UYGVRCXNVNZEQC-JBEBIEQOSA-N	0	0	512.542	2.793	1	0		KFAFRN
CC(C)C[C@H]([NH2+]C[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	562028363	/nfs/dbraw/zinc/02/83/63/562028363.db2.gz	LMSKYJYEGZTINB-JSRHHAARSA-N	0	0	664.804	2.780	1	0		KFAFRN
CCOC(=O)C1=C(COCCN2CC(=O)N=C2N)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl	ZINC000029486363	562028338	/nfs/dbraw/zinc/02/83/38/562028338.db2.gz	STLXVTMCYVGEHZ-LOFJQREMSA-N	0	0	525.389	2.958	1	0		KFAFRN
CCOC(=O)C1=C(COCCN2CC(=O)N=C2N)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl	ZINC000029486366	562028325	/nfs/dbraw/zinc/02/83/25/562028325.db2.gz	STLXVTMCYVGEHZ-QTTZHIOCSA-N	0	0	525.389	2.958	1	0		KFAFRN
CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O	ZINC000029486784	562028539	/nfs/dbraw/zinc/02/85/39/562028539.db2.gz	GCNSQAISKHRWNO-YVYVVVIZSA-N	0	0	726.919	2.739	1	0		KFAFRN
CC(C)C[C@@H](C[NH2+][C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C	ZINC000029488026	562028712	/nfs/dbraw/zinc/02/87/12/562028712.db2.gz	JQSNJCLXORIIKV-JSRHHAARSA-N	0	0	664.804	2.780	1	0		KFAFRN
COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)COC(=O)c1c(C)cc(C)cc1C	ZINC000029488504	562028956	/nfs/dbraw/zinc/02/89/56/562028956.db2.gz	XRLVOPPAVKATBE-IRLDBZIGSA-N	0	0	510.587	2.523	1	0		KFAFRN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2cccnc2[nH]1	ZINC000029488629	562028990	/nfs/dbraw/zinc/02/89/90/562028990.db2.gz	CSXSYYXSDINJPJ-LFBFJMOVSA-N	0	0	524.666	2.850	1	0		KFAFRN
Cc1cccnc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)CSC1(C)C	ZINC000029488929	562029077	/nfs/dbraw/zinc/02/90/77/562029077.db2.gz	PHDPGJPLZABKFA-ZSTMXQQGSA-N	0	0	632.783	2.907	1	0		KFAFRN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1nc2ccccc2[nH]1	ZINC000029489569	562029181	/nfs/dbraw/zinc/02/91/81/562029181.db2.gz	BMAKJXIKYPDIHI-QORCZRPOSA-N	0	0	524.666	2.850	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)CC(=O)[O-]	ZINC000029545611	562029717	/nfs/dbraw/zinc/02/97/17/562029717.db2.gz	OBRNZPATRJZWEN-JSRHHAARSA-N	0	0	664.804	2.780	1	0		KFAFRN
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F	ZINC000029546681	562029951	/nfs/dbraw/zinc/02/99/51/562029951.db2.gz	UKJCQGJVQRZELJ-KSZLIROESA-N	0	0	540.004	2.906	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F	ZINC000029546684	562030098	/nfs/dbraw/zinc/03/00/98/562030098.db2.gz	UKJCQGJVQRZELJ-BZSNNMDCSA-N	0	0	540.004	2.906	1	0		KFAFRN
CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F	ZINC000029546687	562030096	/nfs/dbraw/zinc/03/00/96/562030096.db2.gz	UKJCQGJVQRZELJ-KURKYZTESA-N	0	0	540.004	2.906	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F	ZINC000029546691	562030094	/nfs/dbraw/zinc/03/00/94/562030094.db2.gz	UKJCQGJVQRZELJ-SQNIBIBYSA-N	0	0	540.004	2.906	1	0		KFAFRN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1Cc2ccccc2N1	ZINC000029548916	562030602	/nfs/dbraw/zinc/03/06/02/562030602.db2.gz	DICOSGSZTYGFQB-IRGGMKSGSA-N	0	0	525.694	2.697	1	0		KFAFRN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1Cc2ccccc2N1	ZINC000029548920	562030587	/nfs/dbraw/zinc/03/05/87/562030587.db2.gz	DICOSGSZTYGFQB-YUDMECHNSA-N	0	0	525.694	2.697	1	0		KFAFRN
CC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000029549055	562030536	/nfs/dbraw/zinc/03/05/36/562030536.db2.gz	GKGJGADBSLAYAC-XCAPMEMOSA-N	0	0	555.429	2.757	1	0		KFAFRN
CC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000029549065	562030542	/nfs/dbraw/zinc/03/05/42/562030542.db2.gz	CCBBMWFRWVDOGI-WMWZOTROSA-N	0	0	531.396	2.911	1	0		KFAFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)Cc4ccc(I)s4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000029550085	562030789	/nfs/dbraw/zinc/03/07/89/562030789.db2.gz	WLBJFTUWIPHLLG-UHFFFAOYSA-N	0	0	678.553	2.893	1	0		KFAFRN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O	ZINC000029550158	562030781	/nfs/dbraw/zinc/03/07/81/562030781.db2.gz	KDQGCEPRMKGXDW-OEUJKWENSA-N	0	0	531.396	2.911	1	0		KFAFRN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCCN1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O	ZINC000029550162	562030838	/nfs/dbraw/zinc/03/08/38/562030838.db2.gz	KDQGCEPRMKGXDW-BMRMRWSQSA-N	0	0	531.396	2.911	1	0		KFAFRN
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C)c1	ZINC000029550358	562030824	/nfs/dbraw/zinc/03/08/24/562030824.db2.gz	GSKCQCFDKCCBAA-BDTNDASRSA-N	0	0	585.576	2.555	1	0		KFAFRN
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)c1	ZINC000029550362	562030791	/nfs/dbraw/zinc/03/07/91/562030791.db2.gz	GSKCQCFDKCCBAA-FKBYEOEOSA-N	0	0	585.576	2.555	1	0		KFAFRN
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C)c1	ZINC000029550366	562030803	/nfs/dbraw/zinc/03/08/03/562030803.db2.gz	GSKCQCFDKCCBAA-VSKRKVRLSA-N	0	0	585.576	2.555	1	0		KFAFRN
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)c1	ZINC000029550369	562030822	/nfs/dbraw/zinc/03/08/22/562030822.db2.gz	GSKCQCFDKCCBAA-FSSWDIPSSA-N	0	0	585.576	2.555	1	0		KFAFRN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O	ZINC000029552449	562031346	/nfs/dbraw/zinc/03/13/46/562031346.db2.gz	VZAJZSFYWRYCAG-IRHGGOMRSA-N	0	0	517.369	2.521	1	0		KFAFRN
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)[C@@H](O)[C@@]21C	ZINC000029552983	562031411	/nfs/dbraw/zinc/03/14/11/562031411.db2.gz	HBKVGUJODNINBB-HGKJLHODSA-N	0	0	520.594	2.788	1	0		KFAFRN
CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(C)C)C(=O)C(F)(F)F	ZINC000029553483	562031582	/nfs/dbraw/zinc/03/15/82/562031582.db2.gz	JFQJERYZFGMYNP-AQNXPRMDSA-N	0	0	512.573	2.770	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C	ZINC000029553486	562031562	/nfs/dbraw/zinc/03/15/62/562031562.db2.gz	JFQJERYZFGMYNP-AABGKKOBSA-N	0	0	512.573	2.770	1	0		KFAFRN
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2ccccc2c(=O)[nH]1	ZINC000029553613	562031584	/nfs/dbraw/zinc/03/15/84/562031584.db2.gz	XCMSMCVNTJWVOL-MNUOIFNESA-N	0	0	551.688	2.815	1	0		KFAFRN
O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000029553902	562031692	/nfs/dbraw/zinc/03/16/92/562031692.db2.gz	VFRZBYMGRAQDSN-UHFFFAOYSA-N	0	0	594.694	2.589	1	0		KFAFRN
COc1cccc(OC)c1C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C	ZINC000029554777	562031840	/nfs/dbraw/zinc/03/18/40/562031840.db2.gz	UCLPVAZOHLFRPO-XPGWFJOJSA-N	0	0	529.556	2.721	1	0		KFAFRN
COc1cccc(OC)c1C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C	ZINC000029554781	562031813	/nfs/dbraw/zinc/03/18/13/562031813.db2.gz	UCLPVAZOHLFRPO-YSGRDPCXSA-N	0	0	529.556	2.721	1	0		KFAFRN
CCC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000029556380	562032237	/nfs/dbraw/zinc/03/22/37/562032237.db2.gz	RHJZRYHUIOAIPC-XCAPMEMOSA-N	0	0	555.429	2.757	1	0		KFAFRN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCN(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)CC1	ZINC000029556790	562032334	/nfs/dbraw/zinc/03/23/34/562032334.db2.gz	IKGMUCNRZWBYMO-GAASDFDMSA-N	0	0	531.396	2.769	1	0		KFAFRN
COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1OC	ZINC000029558010	562032552	/nfs/dbraw/zinc/03/25/52/562032552.db2.gz	RSVOYEVOHLPJFX-UXPWSPDFSA-N	0	0	529.556	2.721	1	0		KFAFRN
COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(C)C)cc1OC	ZINC000029558014	562032499	/nfs/dbraw/zinc/03/24/99/562032499.db2.gz	RSVOYEVOHLPJFX-AHRSYUTCSA-N	0	0	529.556	2.721	1	0		KFAFRN
O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccccn2)CC1	ZINC000029559326	562032807	/nfs/dbraw/zinc/03/28/07/562032807.db2.gz	SUZWWHNGHBKGBJ-UHFFFAOYSA-N	0	0	531.617	2.799	1	0		KFAFRN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)C1	ZINC000029561540	562033300	/nfs/dbraw/zinc/03/33/00/562033300.db2.gz	PVEDVLSJWSGLEI-SMWIAKNYSA-N	0	0	531.396	2.769	1	0		KFAFRN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)C1	ZINC000029561544	562033341	/nfs/dbraw/zinc/03/33/41/562033341.db2.gz	PVEDVLSJWSGLEI-UIFDZKLGSA-N	0	0	531.396	2.769	1	0		KFAFRN
CCCCCCOC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C	ZINC000029562639	562033580	/nfs/dbraw/zinc/03/35/80/562033580.db2.gz	GELLBVGZLHOKSY-NKVOBILMSA-N	0	0	724.962	2.596	1	0		KFAFRN
CCCCCCOC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C	ZINC000029562643	562033521	/nfs/dbraw/zinc/03/35/21/562033521.db2.gz	GELLBVGZLHOKSY-WWPLQOFTSA-N	0	0	724.962	2.596	1	0		KFAFRN
NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1	ZINC000029562923	562033661	/nfs/dbraw/zinc/03/36/61/562033661.db2.gz	BCRZWUKUZGBBLX-NSOVKSMOSA-N	0	0	553.663	2.547	1	0		KFAFRN
Cn1cc(Cc2cn(CC(=O)N3CCN(Cc4ccccc4)C(=O)C3)c(SCc3ccc(F)cc3)nc2=O)cn1	ZINC000029563114	562033708	/nfs/dbraw/zinc/03/37/08/562033708.db2.gz	VRGIIVQNEAQTSU-UHFFFAOYSA-N	0	0	560.655	2.870	1	0		KFAFRN
O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1	ZINC000029564816	562034255	/nfs/dbraw/zinc/03/42/55/562034255.db2.gz	BGPOVDMRWUMKRF-UHFFFAOYSA-N	0	0	544.612	2.931	1	0		KFAFRN
C[n+]1ccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@@H]3SC2)cc1	ZINC000029566717	562034527	/nfs/dbraw/zinc/03/45/27/562034527.db2.gz	SUIVFKWROFNGQH-NQIIRXRSSA-O	0	0	569.468	2.506	1	0		KFAFRN
C[n+]1ccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1	ZINC000029566721	562034572	/nfs/dbraw/zinc/03/45/72/562034572.db2.gz	SUIVFKWROFNGQH-WIYYLYMNSA-O	0	0	569.468	2.506	1	0		KFAFRN
C[n+]1cccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@@H]3SC2)c1	ZINC000029567321	562034667	/nfs/dbraw/zinc/03/46/67/562034667.db2.gz	CUTXNYRYUJJIRC-NQIIRXRSSA-O	0	0	569.468	2.506	1	0		KFAFRN
C[n+]1cccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)c1	ZINC000029567324	562034677	/nfs/dbraw/zinc/03/46/77/562034677.db2.gz	CUTXNYRYUJJIRC-WIYYLYMNSA-O	0	0	569.468	2.506	1	0		KFAFRN
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(C(N)=[NH2+])cc1)[P@](=O)([O-])c1ccccc1	ZINC000029570882	562035578	/nfs/dbraw/zinc/03/55/78/562035578.db2.gz	HAYSXPBNBHCWOA-FTJBHMTQSA-N	0	0	531.553	2.780	1	0		KFAFRN
COC(=O)[C@H]1c2c(c3ccccc3n2C(=O)OC)CCN2CC[C@H]1[C@@H](S(=O)(=O)c1ccccc1)C2=O	ZINC000031870690	562036624	/nfs/dbraw/zinc/03/66/24/562036624.db2.gz	XZRCRLOBUFMTEI-KJXAQDMKSA-N	0	0	510.568	2.760	1	0		KFAFRN
COC(=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC)CCN2CC[C@H]1[C@@H](S(=O)(=O)c1ccccc1)C2=O	ZINC000031870691	562036637	/nfs/dbraw/zinc/03/66/37/562036637.db2.gz	XZRCRLOBUFMTEI-UNWVZKJWSA-N	0	0	510.568	2.760	1	0		KFAFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000032016580	562036854	/nfs/dbraw/zinc/03/68/54/562036854.db2.gz	RJNJLNSMOSAGFS-SZBWNSITSA-N	0	0	507.480	2.680	1	0		KFAFRN
CCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000032038751	562036837	/nfs/dbraw/zinc/03/68/37/562036837.db2.gz	YDQBBEVGBOZATK-YOQDNNDRSA-N	0	0	507.480	2.824	1	0		KFAFRN
O=C(NCc1ccco1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21	ZINC000032086628	562036813	/nfs/dbraw/zinc/03/68/13/562036813.db2.gz	SJYYWOHFYBEUAZ-UHFFFAOYSA-N	0	0	502.502	2.997	1	0		KFAFRN
CCn1nccc1NC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21	ZINC000032086763	562036844	/nfs/dbraw/zinc/03/68/44/562036844.db2.gz	WUIJAGIHUPVVAP-UHFFFAOYSA-N	0	0	516.533	2.943	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC1CCC1	ZINC000032139049	562036986	/nfs/dbraw/zinc/03/69/86/562036986.db2.gz	TUTFUPFZIGAZMB-OEMFJLHTSA-N	0	0	525.671	2.751	1	0		KFAFRN
COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000033363651	562037214	/nfs/dbraw/zinc/03/72/14/562037214.db2.gz	CCNGEBWHLDWPFV-ODTCIBSJSA-N	0	0	515.610	2.749	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]21)S(=O)(=O)c1ccccc1	ZINC000033816925	562037593	/nfs/dbraw/zinc/03/75/93/562037593.db2.gz	BAEBYPQCCDXNPJ-JQSCXEDISA-N	0	0	532.659	2.793	1	0		KFAFRN
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c1nccc2C(=O)Nc1nccs1	ZINC000033820023	562037641	/nfs/dbraw/zinc/03/76/41/562037641.db2.gz	GVEKBSHYXXHTKH-OAHLLOKOSA-N	0	0	502.556	2.828	1	0		KFAFRN
CO[C@]1(C)C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(C)=O)C[C@@H]2C)O1	ZINC000033823558	562037684	/nfs/dbraw/zinc/03/76/84/562037684.db2.gz	XKSGIJNRMWHQIQ-CGPJBNNXSA-N	0	0	521.651	2.967	1	0		KFAFRN
COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1	ZINC000033833977	291766091	/nfs/dbraw/zinc/76/60/91/291766091.db2.gz	WCNDTJXYXMMJDP-DZWGLGNASA-N	0	0	516.499	2.519	1	0	biogenic,in-vitro	KFAFRN
CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(N5CCN(C)CC5)c4o3)cc2)CC1	ZINC000033975018	562038018	/nfs/dbraw/zinc/03/80/18/562038018.db2.gz	CKBARMWSFIJZTL-UHFFFAOYSA-N	0	0	521.593	2.995	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033991827	562037983	/nfs/dbraw/zinc/03/79/83/562037983.db2.gz	IBEANEPZNLVRRY-RCZVLFRGSA-N	0	0	530.666	2.635	1	0		KFAFRN
C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1	ZINC000034016446	562038097	/nfs/dbraw/zinc/03/80/97/562038097.db2.gz	KZCODYXMOKIMLT-GIVPXCGWSA-N	0	0	530.647	2.671	1	0		KFAFRN
COc1ccc([C@@]23Oc4cc5c(c(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)OCO5)cc1	ZINC000034026776	291766538	/nfs/dbraw/zinc/76/65/38/291766538.db2.gz	VBEWJSMISIWDQM-NPWWZGLVSA-N	0	0	519.550	2.771	1	0	biogenic,in-vitro	KFAFRN
Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1O)OC2	ZINC000034074436	562038271	/nfs/dbraw/zinc/03/82/71/562038271.db2.gz	NHJYARJSYQQDFV-SHCQTDBNSA-N	0	0	515.253	2.593	1	0		KFAFRN
COc1ccc2nccc([C@@H](O)CN3CC[C@H](NCc4nc5c(cc4Cl)OCC(=O)N5)[C@H](F)C3)c2c1	ZINC000034272811	562038552	/nfs/dbraw/zinc/03/85/52/562038552.db2.gz	WQMYUWUIHPTUEM-CBQOVEMMSA-N	0	0	515.973	2.858	1	0		KFAFRN
COc1ccc2nccc([C@@H](O)CN3CC[C@@H](NCc4nc5c(cc4Cl)OCC(=O)N5)[C@@H](F)C3)c2c1	ZINC000034272812	562038556	/nfs/dbraw/zinc/03/85/56/562038556.db2.gz	WQMYUWUIHPTUEM-DWLFOUALSA-N	0	0	515.973	2.858	1	0		KFAFRN
COc1cc2c(c(OC)c1OC)-c1ccc(N(C)C)c(=O)cc1[C@@H](NC(=O)CCCO[N+](=O)[O-])CC2	ZINC000034359691	562038896	/nfs/dbraw/zinc/03/88/96/562038896.db2.gz	CZOHXABSCDJXMD-SFHVURJKSA-N	0	0	501.536	2.898	1	0		KFAFRN
COc1ccc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@](C)(CC[C@@]4(O)C(C)(C)[C@H](OC(C)=O)C[C@H](O)[C@@]42C)O3)cc1	ZINC000034409665	562038839	/nfs/dbraw/zinc/03/88/39/562038839.db2.gz	IEHWJHMZQDRWLL-SAQJKEKHSA-N	0	0	528.598	2.994	1	0		KFAFRN
CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F	ZINC000034621246	562039291	/nfs/dbraw/zinc/03/92/91/562039291.db2.gz	HOVDQMQICNYYLL-UHFFFAOYSA-N	0	0	511.238	2.757	1	0		KFAFRN
O=C(NCc1ccc2[nH]cnc2c1)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21	ZINC000034689150	562039602	/nfs/dbraw/zinc/03/96/02/562039602.db2.gz	NATAPHZBRGVFBE-OZXSUGGESA-N	0	0	543.649	2.974	1	0		KFAFRN
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Br)c(O)cc3O)CC2)cc1	ZINC000034717861	562040016	/nfs/dbraw/zinc/04/00/16/562040016.db2.gz	BUGJHCBGZXPGCA-UHFFFAOYSA-N	0	0	507.410	2.976	1	0		KFAFRN
C[C@H](CCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=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	ZINC000034717941	562040127	/nfs/dbraw/zinc/04/01/27/562040127.db2.gz	KBUOALMCMGXILH-KCYFFZOLSA-N	0	0	676.298	2.951	1	0		KFAFRN
C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[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]3CC[C@]12C	ZINC000034717949	562040216	/nfs/dbraw/zinc/04/02/16/562040216.db2.gz	RKOMXGLUQRAPQU-ABQBCBDNSA-N	0	0	568.806	2.963	1	0		KFAFRN
C[C@H](CCC(=O)Nc1nnc(S(N)(=O)=O)s1)[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	ZINC000034717953	562040202	/nfs/dbraw/zinc/04/02/02/562040202.db2.gz	XPNRKBGOCDEDNY-KWWZPWBDSA-N	0	0	570.778	2.502	1	0		KFAFRN
C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000034717957	562040196	/nfs/dbraw/zinc/04/01/96/562040196.db2.gz	SFXKNCWAEJLTOL-NUWAEBNJSA-N	0	0	568.806	2.963	1	0		KFAFRN
C[C@H](CCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C)[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]3CC[C@]12C	ZINC000034717988	562040209	/nfs/dbraw/zinc/04/02/09/562040209.db2.gz	RKOMXGLUQRAPQU-KVFSHQEESA-N	0	0	568.806	2.963	1	0		KFAFRN
COCCN1CC(C(N)=O)(N(C)Cc2cc3c(cc2OC)ncnc3Nc2cccc(Cl)c2F)C1	ZINC000034799995	562040780	/nfs/dbraw/zinc/04/07/80/562040780.db2.gz	IKXPVMNZZLUFCI-UHFFFAOYSA-N	0	0	502.978	2.792	1	0		KFAFRN
CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	ZINC000034802541	562042004	/nfs/dbraw/zinc/04/20/04/562042004.db2.gz	LRSBIKVQDTUNIU-DSNMTOQLSA-N	0	0	581.732	2.997	1	0	in-vivo	KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(N(C)C)cc1	ZINC000034803119	562042471	/nfs/dbraw/zinc/04/24/71/562042471.db2.gz	YQCYRPDLRYOZFV-GVAUOCQISA-N	0	0	540.661	2.707	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cc(OC)c(OC)c(OC)c1	ZINC000034803126	562042473	/nfs/dbraw/zinc/04/24/73/562042473.db2.gz	CLBKCGOYQYVDNB-ZRBLBEILSA-N	0	0	587.670	2.667	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c2ncnc3N)O1)Oc1ccccc1	ZINC000034820804	562043631	/nfs/dbraw/zinc/04/36/31/562043631.db2.gz	OCJRRXHWPBXZSU-BJBBEUPESA-N	0	0	506.431	2.904	1	0		KFAFRN
COc1ccc(CN2CCc3c(c(=O)n4ncc(C(=O)N5CCN(c6ccccc6F)CC5)c4n3C)C2)cc1	ZINC000034871675	562043767	/nfs/dbraw/zinc/04/37/67/562043767.db2.gz	GQYSYBJOYKRELK-UHFFFAOYSA-N	0	0	530.604	2.701	1	0		KFAFRN
COc1ccc(CN2CCc3c(c(=O)n4ncc(C(=O)N5CCN(c6ccc(F)cc6)CC5)c4n3C)C2)cc1	ZINC000034871677	562043785	/nfs/dbraw/zinc/04/37/85/562043785.db2.gz	OIVOFKQGKIUMDB-UHFFFAOYSA-N	0	0	530.604	2.701	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@](O)([C@](C)(O)C(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000034884675	562043903	/nfs/dbraw/zinc/04/39/03/562043903.db2.gz	WZPJHRICCPMGQU-DPXOHFGQSA-N	0	0	500.544	2.970	1	0		KFAFRN
O=c1[nH]cnc2c1ncn2[C@@H](CO)O[C@@H](CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000035033774	562044443	/nfs/dbraw/zinc/04/44/43/562044443.db2.gz	IQHIPBFKLLUKGJ-LOSJGSFVSA-N	0	0	512.566	2.997	1	0		KFAFRN
COc1cc2c(cc1OS(=O)(=O)N(C)C)CC[C@H]1[C@@H]3CC[C@H](OS(=O)(=O)N(C)C)[C@@]3(C)CC[C@H]21	ZINC000035079689	562044776	/nfs/dbraw/zinc/04/47/76/562044776.db2.gz	RSHUQCSPQOBMMV-JIAAILLZSA-N	0	0	516.682	2.928	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cccc(-c5cccc(CO)c5O)c4O3)O2)c(=O)[nH]c1=O	ZINC000035270793	562044946	/nfs/dbraw/zinc/04/49/46/562044946.db2.gz	ONCMROQDJNEQJX-RRFCSTKJSA-N	0	0	514.427	2.897	1	0	in-vivo	KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cccc(-c5cccc(CO)c5O)c4O3)O2)c(=O)[nH]c1=O	ZINC000035271259	562044974	/nfs/dbraw/zinc/04/49/74/562044974.db2.gz	ONCMROQDJNEQJX-NRLBXITHSA-N	0	0	514.427	2.897	1	0	in-vivo	KFAFRN
CO/C=C(/C(=O)OC)c1ccccc1CSc1nnc(CSc2nc3nc(C)cc(C)n3n2)n1N	ZINC000035328888	562045242	/nfs/dbraw/zinc/04/52/42/562045242.db2.gz	JFYRROBSYILYSD-LICLKQGHSA-N	0	0	512.621	2.791	1	0		KFAFRN
COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000035803180	562045325	/nfs/dbraw/zinc/04/53/25/562045325.db2.gz	ODLXCGSAEOWAKV-IMWIBFENSA-N	0	0	524.570	2.802	1	0	in-vitro	KFAFRN
COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000035803181	562045328	/nfs/dbraw/zinc/04/53/28/562045328.db2.gz	ODLXCGSAEOWAKV-YDIMBITNSA-N	0	0	524.570	2.802	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)CCO)c1ccc(F)cc1F	ZINC000035904101	562045621	/nfs/dbraw/zinc/04/56/21/562045621.db2.gz	INXJRUCMRKSFBI-UBFVSLLYSA-N	0	0	513.585	2.613	1	0		KFAFRN
COc1ccc2nccc(N3CC[C@H](SCCNS(=O)(=O)c4ccc5c(c4)OCCO5)C3)c2n1	ZINC000035936797	562045789	/nfs/dbraw/zinc/04/57/89/562045789.db2.gz	HBAPNOXUKRXVBB-INIZCTEOSA-N	0	0	502.618	2.700	1	0		KFAFRN
COc1ccc2nccc(N3CC[C@@H](SCCNS(=O)(=O)c4ccc5c(c4)OCCO5)C3)c2n1	ZINC000035936799	562045767	/nfs/dbraw/zinc/04/57/67/562045767.db2.gz	HBAPNOXUKRXVBB-MRXNPFEDSA-N	0	0	502.618	2.700	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccncn2)c1=O)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21	ZINC000035953336	562045910	/nfs/dbraw/zinc/04/59/10/562045910.db2.gz	RIWBPOKEPFFMJB-NDEPHWFRSA-N	0	0	503.522	2.605	1	0		KFAFRN
[NH3+][C@H](Cc1cc(I)c(OCCc2ccncc2)c(I)c1)C(=O)[O-]	ZINC000036011783	562046067	/nfs/dbraw/zinc/04/60/67/562046067.db2.gz	SGDFYBCKEVITCD-CQSZACIVSA-N	0	0	538.123	2.867	1	0		KFAFRN
O=C(C[C@@H]1CN(C(=O)Nc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2	ZINC000036089223	562046799	/nfs/dbraw/zinc/04/67/99/562046799.db2.gz	FYPLQLJHWZUXDJ-JOCHJYFZSA-N	0	0	540.584	2.820	1	0		KFAFRN
O=C(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2	ZINC000036089227	562046766	/nfs/dbraw/zinc/04/67/66/562046766.db2.gz	FYPLQLJHWZUXDJ-QFIPXVFZSA-N	0	0	540.584	2.820	1	0		KFAFRN
O=C(C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2	ZINC000036089257	562046762	/nfs/dbraw/zinc/04/67/62/562046762.db2.gz	JMRAUIYBGKHYPA-HSZRJFAPSA-N	0	0	555.595	2.925	1	0		KFAFRN
O=C(C[C@H]1CN(C(=O)OCc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2	ZINC000036089261	562046771	/nfs/dbraw/zinc/04/67/71/562046771.db2.gz	JMRAUIYBGKHYPA-QHCPKHFHSA-N	0	0	555.595	2.925	1	0		KFAFRN
O=C(C[C@@H]1CN(C(=O)Oc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2	ZINC000036089267	562046929	/nfs/dbraw/zinc/04/69/29/562046929.db2.gz	CNWNPKTZNBJRTQ-OAQYLSRUSA-N	0	0	541.568	2.787	1	0		KFAFRN
O=C(C[C@H]1CN(C(=O)Oc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2	ZINC000036089271	562046954	/nfs/dbraw/zinc/04/69/54/562046954.db2.gz	CNWNPKTZNBJRTQ-NRFANRHFSA-N	0	0	541.568	2.787	1	0		KFAFRN
CC(C)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1	ZINC000036093439	562047189	/nfs/dbraw/zinc/04/71/89/562047189.db2.gz	VAKRXHZEBXXWRR-DHLKQENFSA-N	0	0	520.671	2.998	1	0		KFAFRN
Cn1c2cc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000036124080	562047454	/nfs/dbraw/zinc/04/74/54/562047454.db2.gz	WVCKPHZTZFNJBQ-UHFFFAOYSA-N	0	0	572.485	2.501	1	0		KFAFRN
CCn1c2cc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c(=O)n(CC)c1=O	ZINC000036124091	562047467	/nfs/dbraw/zinc/04/74/67/562047467.db2.gz	WMFFSBWHZODQOK-UHFFFAOYSA-N	0	0	539.633	2.844	1	0		KFAFRN
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000036139649	562047764	/nfs/dbraw/zinc/04/77/64/562047764.db2.gz	USQYZVYUUXQZHL-IIHCQYLKSA-N	0	0	574.747	2.560	1	0	in-vitro	KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000036139725	562047854	/nfs/dbraw/zinc/04/78/54/562047854.db2.gz	HFEQKONSPKYSGC-NCCKIYDTSA-N	0	0	613.803	2.867	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000036139730	562047830	/nfs/dbraw/zinc/04/78/30/562047830.db2.gz	GQXDRKLTUINFRX-MZKXUYMNSA-N	0	0	636.834	2.613	1	0		KFAFRN
COC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1	ZINC000036140457	562047813	/nfs/dbraw/zinc/04/78/13/562047813.db2.gz	FJZDIYKKNUTULN-UKILVPOCSA-N	0	0	548.706	2.530	1	0		KFAFRN
COC(=O)N[C@H](CCc1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1	ZINC000036140462	562048037	/nfs/dbraw/zinc/04/80/37/562048037.db2.gz	UVGUQZBWIDVZMY-AZGAKELHSA-N	0	0	562.733	2.920	1	0		KFAFRN
COC(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1	ZINC000036140468	562047975	/nfs/dbraw/zinc/04/79/75/562047975.db2.gz	JNTATDOOMZZFIU-AZGAKELHSA-N	0	0	562.733	2.872	1	0		KFAFRN
COc1cccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@@H]2CCCO2)c1	ZINC000036140527	562048038	/nfs/dbraw/zinc/04/80/38/562048038.db2.gz	BKVPEHBIRUOJPV-OGAWYMSISA-N	0	0	623.728	2.979	1	0		KFAFRN
CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)NCC2(C)COC2)CC1	ZINC000036143419	562048085	/nfs/dbraw/zinc/04/80/85/562048085.db2.gz	OYCDBPDBBWJMOB-UHFFFAOYSA-N	0	0	520.479	2.698	1	0		KFAFRN
CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1	ZINC000036143449	562048077	/nfs/dbraw/zinc/04/80/77/562048077.db2.gz	XNFMTXLXXPJFKM-UHFFFAOYSA-N	0	0	524.442	2.543	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)CCOc2ccccc2CCCNC1=O	ZINC000036160606	562048549	/nfs/dbraw/zinc/04/85/49/562048549.db2.gz	JNFMCJJADATECP-ZRRKCSAHSA-N	0	0	552.716	2.802	1	0		KFAFRN
CCC[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O	ZINC000036160610	562048554	/nfs/dbraw/zinc/04/85/54/562048554.db2.gz	XZXFRIOWINLTFO-FXVJXKIMSA-N	0	0	539.673	2.887	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2/C=C/CNC1=O	ZINC000036160615	562048487	/nfs/dbraw/zinc/04/84/87/562048487.db2.gz	IUBNTNHADZNMIG-NQFIXEGCSA-N	0	0	520.674	2.835	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2/C=C/CNC1=O	ZINC000036160625	562048510	/nfs/dbraw/zinc/04/85/10/562048510.db2.gz	SFWIYPIOGRXGTR-HXIFFVTASA-N	0	0	520.674	2.704	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O	ZINC000036160647	562048548	/nfs/dbraw/zinc/04/85/48/562048548.db2.gz	IPARHFSWWMFDAF-ZWEKWIFMSA-N	0	0	539.673	2.887	1	0		KFAFRN
CCC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O	ZINC000036160651	562048520	/nfs/dbraw/zinc/04/85/20/562048520.db2.gz	CXNVASKCTNQIAR-DEPHPPBSSA-N	0	0	536.673	2.541	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O	ZINC000036160691	562048686	/nfs/dbraw/zinc/04/86/86/562048686.db2.gz	NBIAEYWURXAHQI-OFYMXCLBSA-N	0	0	550.700	2.787	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O	ZINC000036160708	562048700	/nfs/dbraw/zinc/04/87/00/562048700.db2.gz	CXNVASKCTNQIAR-WTKIFITDSA-N	0	0	536.673	2.541	1	0		KFAFRN
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000036160717	562048664	/nfs/dbraw/zinc/04/86/64/562048664.db2.gz	JAVMKYBLYODMLB-WCWPRPRFSA-N	0	0	584.717	2.983	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C(C)=O)CCOc2ccccc2CCCNC1=O	ZINC000036160743	562048674	/nfs/dbraw/zinc/04/86/74/562048674.db2.gz	RUZFOEOMTDKHFQ-YIKNKFAXSA-N	0	0	580.726	2.719	1	0		KFAFRN
CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@]2(C3)NC(=O)NC2=O)C1=O	ZINC000036177782	562049438	/nfs/dbraw/zinc/04/94/38/562049438.db2.gz	RFBJOFDVZVAQMZ-PWUYWRBVSA-N	0	0	522.565	2.715	1	0		KFAFRN
CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@]2(C3)NC(=O)NC2=O)C1=O	ZINC000036177785	562049476	/nfs/dbraw/zinc/04/94/76/562049476.db2.gz	RFBJOFDVZVAQMZ-OUTSHDOLSA-N	0	0	522.565	2.715	1	0		KFAFRN
O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2CCNC2=O)CC1	ZINC000036177849	562049561	/nfs/dbraw/zinc/04/95/61/562049561.db2.gz	AGPAHEBTBWWURI-QFIPXVFZSA-N	0	0	528.535	2.958	1	0		KFAFRN
CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c4ccccc4n(-c4cc(F)cc(F)c4)c3=O)cc1C2	ZINC000036177980	562049683	/nfs/dbraw/zinc/04/96/83/562049683.db2.gz	MLXHPMSHFIOVTD-HHHXNRCGSA-N	0	0	517.492	2.728	1	0		KFAFRN
CC(C)(C)OC(=O)NCC(=O)N1CCCC[C@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1	ZINC000036178668	562049778	/nfs/dbraw/zinc/04/97/78/562049778.db2.gz	ARXWKFTWEMHOTO-RNXOBYDBSA-N	0	0	579.650	2.958	1	0		KFAFRN
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1	ZINC000036178694	562049794	/nfs/dbraw/zinc/04/97/94/562049794.db2.gz	NGQZLCRNBTVFHK-HVCNVCAESA-N	0	0	565.623	2.568	1	0		KFAFRN
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)OCc3ccccc3)[C@H]2C(=O)OCc2ccccc2)C1	ZINC000036178719	562049780	/nfs/dbraw/zinc/04/97/80/562049780.db2.gz	DHIFJPCUHSTMHR-RNXOBYDBSA-N	0	0	579.650	2.816	1	0		KFAFRN
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1[C@H](C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1	ZINC000036178735	562049791	/nfs/dbraw/zinc/04/97/91/562049791.db2.gz	NGQZLCRNBTVFHK-VJTSUQJLSA-N	0	0	565.623	2.568	1	0		KFAFRN
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C(=O)N2[C@H](C(=O)OCc3ccccc3)[C@H]2C(=O)OCc2ccccc2)C1	ZINC000036178744	562049786	/nfs/dbraw/zinc/04/97/86/562049786.db2.gz	DHIFJPCUHSTMHR-AFESJLNVSA-N	0	0	579.650	2.816	1	0		KFAFRN
CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1ccccc1	ZINC000036184905	562050630	/nfs/dbraw/zinc/05/06/30/562050630.db2.gz	ASICUTFNSATFQZ-XOWOXFMQSA-N	0	0	551.706	2.501	1	0		KFAFRN
CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1	ZINC000036184909	562050655	/nfs/dbraw/zinc/05/06/55/562050655.db2.gz	GTOWQFVMJPDUBT-PPXNOBOXSA-N	0	0	567.705	2.609	1	0		KFAFRN
COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21	ZINC000036188368	562051001	/nfs/dbraw/zinc/05/10/01/562051001.db2.gz	JNHZXGXHSIXVBS-OMFWCPCBSA-N	0	0	619.763	2.917	1	0		KFAFRN
CCCn1c2cc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c(=O)n(C)c1=O	ZINC000036190462	562051145	/nfs/dbraw/zinc/05/11/45/562051145.db2.gz	PKTSCODOUVKCEZ-UHFFFAOYSA-N	0	0	539.633	2.751	1	0		KFAFRN
CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(=O)OCc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F	ZINC000036241786	562052030	/nfs/dbraw/zinc/05/20/30/562052030.db2.gz	DOAODSNRUDGXIN-DEOSSOPVSA-N	0	0	612.561	2.534	1	0		KFAFRN
CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC(=O)OCc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F	ZINC000036241788	562052008	/nfs/dbraw/zinc/05/20/08/562052008.db2.gz	DOAODSNRUDGXIN-XMMPIXPASA-N	0	0	612.561	2.534	1	0		KFAFRN
COc1ccc(Cn2c(=O)[nH]c3c(cc(-c4ccccc4)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c3=O)c2=O)cc1	ZINC000036241811	562051990	/nfs/dbraw/zinc/05/19/90/562051990.db2.gz	HXJSJCIHKJGWCS-QHCPKHFHSA-N	0	0	584.551	2.848	1	0		KFAFRN
COc1ccc(Cn2c(=O)[nH]c3c(cc(-c4ccccc4)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c3=O)c2=O)cc1	ZINC000036241813	562052044	/nfs/dbraw/zinc/05/20/44/562052044.db2.gz	HXJSJCIHKJGWCS-HSZRJFAPSA-N	0	0	584.551	2.848	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nn2c(C3CCCC3)nc(CC)c2c(=O)[nH]1	ZINC000036242860	562052266	/nfs/dbraw/zinc/05/22/66/562052266.db2.gz	VIFBFEHCTFXWRR-UHFFFAOYSA-N	0	0	514.652	2.639	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(OC)cc1	ZINC000036269559	562052933	/nfs/dbraw/zinc/05/29/33/562052933.db2.gz	VPRUMEOQBRFKRM-VXNXHJTFSA-N	0	0	527.618	2.650	1	0		KFAFRN
CS(=O)(=O)N1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1	ZINC000036269982	562053042	/nfs/dbraw/zinc/05/30/42/562053042.db2.gz	RPZIHBHFZFKFHF-LOYHVIPDSA-N	0	0	636.218	2.748	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NC	ZINC000036270415	562053020	/nfs/dbraw/zinc/05/30/20/562053020.db2.gz	MFSFIXJTSVEHJF-SXYSDOLCSA-N	0	0	534.698	2.543	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NC	ZINC000036270416	562053100	/nfs/dbraw/zinc/05/31/00/562053100.db2.gz	MFSFIXJTSVEHJF-SSTJLMRISA-N	0	0	534.698	2.543	1	0		KFAFRN
CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]cn2)CC1	ZINC000036286095	562054595	/nfs/dbraw/zinc/05/45/95/562054595.db2.gz	PKLZEDVDEGTAFP-KAYWLYCHSA-N	0	0	546.668	2.979	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCc2ccccc2)cc1	ZINC000036287398	562054756	/nfs/dbraw/zinc/05/47/56/562054756.db2.gz	ZVCMWRZQJKHAIK-RRPNLBNLSA-N	0	0	547.677	2.804	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)NCCc2ccccc2)cc1	ZINC000036287401	562054789	/nfs/dbraw/zinc/05/47/89/562054789.db2.gz	ZVCMWRZQJKHAIK-KAYWLYCHSA-N	0	0	547.677	2.804	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCc2ccccc2)cc1	ZINC000036287444	562054790	/nfs/dbraw/zinc/05/47/90/562054790.db2.gz	DPHCOYXNWOIGKM-RRPNLBNLSA-N	0	0	563.676	2.504	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)C(=O)NCCc2ccccc2)cc1	ZINC000036287447	562054788	/nfs/dbraw/zinc/05/47/88/562054788.db2.gz	DPHCOYXNWOIGKM-KAYWLYCHSA-N	0	0	563.676	2.504	1	0		KFAFRN
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)NCCCCO	ZINC000036295299	562054868	/nfs/dbraw/zinc/05/48/68/562054868.db2.gz	JTMRUIJZKNZJRX-GYZPMWAFSA-N	0	0	572.788	2.627	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)NCCCCO)[C@@H](C)CC	ZINC000036295301	562054841	/nfs/dbraw/zinc/05/48/41/562054841.db2.gz	JTMRUIJZKNZJRX-VTSYCQLTSA-N	0	0	572.788	2.627	1	0		KFAFRN
CCOC(=O)CCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@H](C)CC	ZINC000036295317	562054862	/nfs/dbraw/zinc/05/48/62/562054862.db2.gz	WHXVDJWSDYFSQV-VZDBEYJMSA-N	0	0	600.798	2.808	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCSC(C)=O)NC(=O)[C@H]2CCCCN2CC1=O	ZINC000036338621	562056975	/nfs/dbraw/zinc/05/69/75/562056975.db2.gz	AJQAQAFHPUKXLE-VHKXXLIKSA-N	0	0	641.835	2.630	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(C)=O)NC(=O)[C@H]2CCCCN2CC1=O	ZINC000036338629	562057011	/nfs/dbraw/zinc/05/70/11/562057011.db2.gz	FVYLZIIFIANMNG-FTXZBAAWSA-N	0	0	623.795	2.719	1	0		KFAFRN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)C(C)(C)C)NC1=O	ZINC000036338649	562057156	/nfs/dbraw/zinc/05/71/56/562057156.db2.gz	MUZSIPXZOGAVSZ-LPXUDWAYSA-N	0	0	562.752	2.817	1	0		KFAFRN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C(=O)Cc2ccccc2)NC1=O	ZINC000036338653	562057123	/nfs/dbraw/zinc/05/71/23/562057123.db2.gz	ONHTZJLXGIZPCI-SRHNDFAOSA-N	0	0	582.742	2.623	1	0		KFAFRN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cn(OC)c3ccccc3c2=O)NC1=O	ZINC000036338659	562057148	/nfs/dbraw/zinc/05/71/48/562057148.db2.gz	IEVZGTIIJVLPRE-YVHAWAGASA-N	0	0	637.778	2.557	1	0		KFAFRN
CN(CCO)[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O	ZINC000036348398	562057725	/nfs/dbraw/zinc/05/77/25/562057725.db2.gz	XPCYGKNGEFHXCZ-AIUIFLDSSA-N	0	0	557.757	2.543	1	0		KFAFRN
COCCN1C(=O)CC[C@]23c4ccccc4N(Cc4ccccc4)[C@H]2C(C(=O)OC)=C(C(=O)OC)N=C13	ZINC000036381574	562059783	/nfs/dbraw/zinc/05/97/83/562059783.db2.gz	HJQMAYSCSQEEKH-CUBQBAPOSA-N	0	0	503.555	2.594	1	0		KFAFRN
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(I)cc1	ZINC000037866137	562062252	/nfs/dbraw/zinc/06/22/52/562062252.db2.gz	MBFCFVOWKKZRNA-INIZCTEOSA-N	0	0	540.379	2.820	1	0		KFAFRN
O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nc2c1nnn2Cc1ccc2c(c1)OCCO2	ZINC000038139253	562062626	/nfs/dbraw/zinc/06/26/26/562062626.db2.gz	XBBFKEDFSIHSAX-INIZCTEOSA-N	0	0	543.005	2.968	1	0		KFAFRN
O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)nc2c1nnn2Cc1ccc2c(c1)OCCO2	ZINC000038139254	562062607	/nfs/dbraw/zinc/06/26/07/562062607.db2.gz	XBBFKEDFSIHSAX-MRXNPFEDSA-N	0	0	543.005	2.968	1	0		KFAFRN
COc1ccc(CN2CCc3c(c(=O)n4ncc(C(=O)N5CCN(c6ccccc6OC)CC5)c4n3C)C2)cc1	ZINC000038139845	562062711	/nfs/dbraw/zinc/06/27/11/562062711.db2.gz	FQQYLHNLWWDMPC-UHFFFAOYSA-N	0	0	542.640	2.571	1	0		KFAFRN
O=S(=O)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000038141943	562063359	/nfs/dbraw/zinc/06/33/59/562063359.db2.gz	UOYPARLAJXHIPL-UHFFFAOYSA-N	0	0	523.370	2.910	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C3=N1	ZINC000038142200	562063503	/nfs/dbraw/zinc/06/35/03/562063503.db2.gz	CKUBYPULUAJABF-SVEHJYQDSA-N	0	0	549.580	2.603	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](CO)N(C(=O)CC(C)C)C3=N1	ZINC000038142220	562063506	/nfs/dbraw/zinc/06/35/06/562063506.db2.gz	MAFXAVVJHBRFDW-OHKIHNLFSA-N	0	0	531.609	2.965	1	0		KFAFRN
COC1=C[C@@]23CCC[N@@H+]2CCc2cc4c(cc2[C@]3(C)[C@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)[O-])OCO4	ZINC000038142446	562063559	/nfs/dbraw/zinc/06/35/59/562063559.db2.gz	DJIVDDPFKDEQIR-HOLBEBDISA-N	0	0	545.629	2.666	1	0		KFAFRN
COC1=C[C@@]23CCC[N@@H+]2CCc2cc4c(cc2[C@]3(C)[C@@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)[O-])OCO4	ZINC000038142447	562063589	/nfs/dbraw/zinc/06/35/89/562063589.db2.gz	DJIVDDPFKDEQIR-BSULFMODSA-N	0	0	545.629	2.666	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)c1c(O)n(-c2ccccc2)c(O)c13	ZINC000038145443	562064226	/nfs/dbraw/zinc/06/42/26/562064226.db2.gz	PIEHJPMGQNQUGU-MDSRXOHCSA-N	0	0	607.619	2.934	1	0		KFAFRN
CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CO	ZINC000038147108	562065449	/nfs/dbraw/zinc/06/54/49/562065449.db2.gz	CNNKZGRBCPFNKW-FAZLRBFSSA-N	0	0	599.769	2.733	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O	ZINC000038149668	562066003	/nfs/dbraw/zinc/06/60/03/562066003.db2.gz	CQYJNYALIHVMOZ-ZWEKWIFMSA-N	0	0	522.690	2.754	1	0		KFAFRN
COc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)cc1	ZINC000038154209	562067835	/nfs/dbraw/zinc/06/78/35/562067835.db2.gz	VUBJXOZNUFDRSM-FQLXRVMXSA-N	0	0	602.757	2.777	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(OC(F)(F)F)cc1	ZINC000038155835	562068141	/nfs/dbraw/zinc/06/81/41/562068141.db2.gz	ZDJPOVRGJJAEJA-MZMSSIPFSA-N	0	0	549.395	2.552	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cccc(C(F)(F)F)c1	ZINC000038155842	562068137	/nfs/dbraw/zinc/06/81/37/562068137.db2.gz	ZVZJCSUGWFZOLS-IHEUIYDHSA-N	0	0	533.396	2.672	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Cl)c(Cl)c1	ZINC000038155850	562068021	/nfs/dbraw/zinc/06/80/21/562068021.db2.gz	FFACNCWENNRSEM-FKVRQWPGSA-N	0	0	534.289	2.960	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C(F)(F)F)cc1	ZINC000038155853	562068153	/nfs/dbraw/zinc/06/81/53/562068153.db2.gz	XSTNINKZHITLOZ-IHEUIYDHSA-N	0	0	533.396	2.672	1	0		KFAFRN
O=C(CN1c2ccccc2C(c2ccccc2)=N[C@H](COC(=O)Nc2ccc(Cl)cc2)C1=O)N[C@H]1CC(=O)O[C@@H]1O	ZINC000038156642	562068407	/nfs/dbraw/zinc/06/84/07/562068407.db2.gz	QLWNXBHMFFRULE-TYPXCFOJSA-N	0	0	576.993	2.891	1	0		KFAFRN
O=C(CN1c2ccccc2C(c2ccccc2)=N[C@H](COC(=O)Nc2ccc(Cl)cc2)C1=O)N[C@H]1CC(=O)O[C@H]1O	ZINC000038156643	562068433	/nfs/dbraw/zinc/06/84/33/562068433.db2.gz	QLWNXBHMFFRULE-PFPZSTESSA-N	0	0	576.993	2.891	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000038158139	562070123	/nfs/dbraw/zinc/07/01/23/562070123.db2.gz	BVVWGXDGTPSQDK-IJELJUKBSA-N	0	0	526.763	2.758	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000038158141	562070105	/nfs/dbraw/zinc/07/01/05/562070105.db2.gz	BVVWGXDGTPSQDK-UJZPCYGSSA-N	0	0	526.763	2.758	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000038158143	562070074	/nfs/dbraw/zinc/07/00/74/562070074.db2.gz	UYEINCMPFLLQAN-DEJKCJRPSA-N	0	0	524.747	2.967	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000038158145	562070069	/nfs/dbraw/zinc/07/00/69/562070069.db2.gz	UYEINCMPFLLQAN-HXKBJWFLSA-N	0	0	524.747	2.967	1	0		KFAFRN
COC(=O)c1cncc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(=O)C2=NCC(C)(C)CN32)c1	ZINC000038270627	562070776	/nfs/dbraw/zinc/07/07/76/562070776.db2.gz	ZCPSUPOTPXXJTN-KRWDZBQOSA-N	0	0	512.588	2.541	1	0		KFAFRN
COc1ccc(-c2cnc3nc(N)nc(N4CCN(C(=O)NCc5ccc(F)cc5)CC4)c3n2)cc1OC	ZINC000038311356	562070763	/nfs/dbraw/zinc/07/07/63/562070763.db2.gz	WEIQKOLKYRYHGU-UHFFFAOYSA-N	0	0	518.553	2.857	1	0		KFAFRN
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)OCCO)cc1	ZINC000038336884	562070937	/nfs/dbraw/zinc/07/09/37/562070937.db2.gz	WTRIYFXJOGXBFB-SFHVURJKSA-N	0	0	520.369	2.639	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCCC(=O)OC)NC(=O)[C@H]2CCCCN2CC1=O	ZINC000038377748	562071756	/nfs/dbraw/zinc/07/17/56/562071756.db2.gz	IJSLFTQJZZJJQE-ICLHKRETSA-N	0	0	653.821	2.694	1	0		KFAFRN
O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1	ZINC000038520849	562072127	/nfs/dbraw/zinc/07/21/27/562072127.db2.gz	PJHHHEVXZRKZJY-UHFFFAOYSA-N	0	0	517.007	2.821	1	0		KFAFRN
CO[C@H]1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1NC(=O)c1ccc(Cl)s1	ZINC000038994189	562072718	/nfs/dbraw/zinc/07/27/18/562072718.db2.gz	BOCLXHFYRGMFSC-ROUUACIJSA-N	0	0	504.971	2.759	1	0	in-vitro	KFAFRN
O=C(NOCCO)c1cc(COCCO)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000039148487	562072749	/nfs/dbraw/zinc/07/27/49/562072749.db2.gz	PVBOBALIHWFPSS-UHFFFAOYSA-N	0	0	526.249	2.615	1	0	in-vitro	KFAFRN
COc1cc2nc(N3CCN(C(=S)Nc4ccc(NC(=S)N5CC5)cc4)CC3)nc(N)c2cc1OC	ZINC000040368549	562073186	/nfs/dbraw/zinc/07/31/86/562073186.db2.gz	ZDTUYWZUJAPFKV-UHFFFAOYSA-N	0	0	524.676	2.761	1	0		KFAFRN
COc1cccc(Cn2c[n+]3cc(C4=C(C(=O)[O-])N5C(=O)[C@H]([C@@H](C)O)[C@H]5[C@H]4C)sc3c2SC)c1	ZINC000040379512	562073302	/nfs/dbraw/zinc/07/33/02/562073302.db2.gz	RPWBJAHLHHGCLR-AUECHSEWSA-O	0	0	500.622	2.720	1	0		KFAFRN
Cc1cccc(OS(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)C[C@H](C)O)c1	ZINC000040379738	562073277	/nfs/dbraw/zinc/07/32/77/562073277.db2.gz	VALWXACZYJANHM-BJTUFNSYSA-N	0	0	516.660	2.746	1	0		KFAFRN
CS(=O)(=O)c1ccc(N2CCc3c2nccc3-n2ccc(-c3nccs3)n2)c(S(C)(=O)=O)c1	ZINC000040379775	562073461	/nfs/dbraw/zinc/07/34/61/562073461.db2.gz	CZKCJVUCJQOFIG-UHFFFAOYSA-N	0	0	501.615	2.892	1	0		KFAFRN
CN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1F	ZINC000040391719	562073670	/nfs/dbraw/zinc/07/36/70/562073670.db2.gz	MVKOXOCIOJFWSG-NRFANRHFSA-N	0	0	515.414	2.667	1	0		KFAFRN
CN(C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1F	ZINC000040391722	562073697	/nfs/dbraw/zinc/07/36/97/562073697.db2.gz	MVKOXOCIOJFWSG-OAQYLSRUSA-N	0	0	515.414	2.667	1	0		KFAFRN
COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccnc3C(N)=O)n1)N(C(=O)CN(C)C)CCC2	ZINC000040391889	562073652	/nfs/dbraw/zinc/07/36/52/562073652.db2.gz	AQMKAWXXYOROQF-UHFFFAOYSA-N	0	0	515.578	2.788	1	0		KFAFRN
COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3ccoc3C(N)=O)n1)N(C(=O)CN(C)C)CCC2	ZINC000040392714	562073876	/nfs/dbraw/zinc/07/38/76/562073876.db2.gz	ILSXVNQDNROHLJ-UHFFFAOYSA-N	0	0	504.551	2.986	1	0		KFAFRN
CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1F	ZINC000040392971	562073884	/nfs/dbraw/zinc/07/38/84/562073884.db2.gz	YRQHAHHQNLWCGW-QFIPXVFZSA-N	0	0	511.451	2.918	1	0		KFAFRN
CCN(C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccccc1F	ZINC000040392972	562073872	/nfs/dbraw/zinc/07/38/72/562073872.db2.gz	YRQHAHHQNLWCGW-JOCHJYFZSA-N	0	0	511.451	2.918	1	0		KFAFRN
CC[C@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1	ZINC000040407201	562075030	/nfs/dbraw/zinc/07/50/30/562075030.db2.gz	POGJPOIKDAVEHM-GVXSCFBNSA-N	0	0	506.665	2.591	1	0		KFAFRN
CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)C)S(=O)(=O)c1ccc(OC)cc1	ZINC000040408152	562075041	/nfs/dbraw/zinc/07/50/41/562075041.db2.gz	BPZLEWDRIXAGLD-NXCFDTQHSA-N	0	0	520.692	2.981	1	0		KFAFRN
NS(=O)(=O)NCCCC[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000040409208	562075185	/nfs/dbraw/zinc/07/51/85/562075185.db2.gz	QCRAMTOFBDZBRZ-SFHVURJKSA-N	0	0	502.622	2.902	1	0		KFAFRN
CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c4ccccc4n(C4CCSCC4)c3=O)cc1C2	ZINC000040410888	562075209	/nfs/dbraw/zinc/07/52/09/562075209.db2.gz	WMTYFICXHNNNJD-AREMUKBSSA-N	0	0	505.600	2.529	1	0		KFAFRN
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)CS(N)(=O)=O)[nH]c3ccc(Cl)c(F)c32)c1	ZINC000040413128	562075487	/nfs/dbraw/zinc/07/54/87/562075487.db2.gz	XWIOCCJHKJBFSD-LBPRGKRZSA-N	0	0	501.989	2.817	1	0		KFAFRN
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)CS(N)(=O)=O)[nH]c3ccc(Cl)c(F)c32)c1	ZINC000040413131	562075450	/nfs/dbraw/zinc/07/54/50/562075450.db2.gz	XWIOCCJHKJBFSD-GFCCVEGCSA-N	0	0	501.989	2.817	1	0		KFAFRN
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1	ZINC000040420551	562075643	/nfs/dbraw/zinc/07/56/43/562075643.db2.gz	YJBKBVOKBCOKHA-ILWGZMRPSA-N	0	0	505.637	2.522	1	0		KFAFRN
CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c1nc(Cl)nc3NCc1cc(Cl)ccc1OC)[C@H](O)[C@@H]2O	ZINC000040422406	562076031	/nfs/dbraw/zinc/07/60/31/562076031.db2.gz	OHILWTLVFBEXEL-DHTGQPOCSA-N	0	0	508.362	2.600	1	0		KFAFRN
CN1C(=N)N(C)[C@@]2(Cc3c4ccccc4[nH]c3[C@]3(C(=O)N(C)C(=N)N3C)[C@@H]2c2c[nH]c3ccccc23)C1=O	ZINC000040424084	562076354	/nfs/dbraw/zinc/07/63/54/562076354.db2.gz	AMPTWLHXXYAHSB-FQNJNTOFSA-N	0	0	508.586	2.600	1	0		KFAFRN
CC(C)CNC(=O)c1ccc(-c2ccc([C@H](O)CO)cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1	ZINC000040424854	562076435	/nfs/dbraw/zinc/07/64/35/562076435.db2.gz	PVBZWKGRSQGPPR-XMMPIXPASA-N	0	0	518.570	3.000	1	0		KFAFRN
CC(C)CNC(=O)c1ccc(-c2ccc([C@@H](O)CO)cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1	ZINC000040424856	562076404	/nfs/dbraw/zinc/07/64/04/562076404.db2.gz	PVBZWKGRSQGPPR-DEOSSOPVSA-N	0	0	518.570	3.000	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)COc1ccc(C2N(O)C(C)(C)C(C)(C)[N+]2=O)cc1)C(=O)[O-]	ZINC000040428664	562076620	/nfs/dbraw/zinc/07/66/20/562076620.db2.gz	DGVLOQWHLMFARD-IBGZPJMESA-N	0	0	536.626	2.849	1	0		KFAFRN
Nc1nc(N2CCCCC2)nc2c1c(=O)c(C(=O)NCc1ccc(-n3ccnc3)cc1)cn2C[C@@H]1CCCO1	ZINC000040428715	562076588	/nfs/dbraw/zinc/07/65/88/562076588.db2.gz	CBTKEQMMDLNZJB-NRFANRHFSA-N	0	0	528.617	2.659	1	0		KFAFRN
Nc1nc(N2CCCCC2)nc2c1c(=O)c(C(=O)NCc1ccc(-n3ccnc3)cc1)cn2C[C@H]1CCCO1	ZINC000040428716	562076594	/nfs/dbraw/zinc/07/65/94/562076594.db2.gz	CBTKEQMMDLNZJB-OAQYLSRUSA-N	0	0	528.617	2.659	1	0		KFAFRN
Cc1cn([C@@H]2C=C[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000040440490	562077074	/nfs/dbraw/zinc/07/70/74/562077074.db2.gz	QIBKQTXHBSUGPL-VGYFTRMSSA-N	0	0	507.480	2.822	1	0		KFAFRN
O=c1[nH]c2c(s1)c(CC[NH2+]CCCS(=O)(=O)NCCOCCSc1ccccc1)ccc2[O-]	ZINC000040475208	562077325	/nfs/dbraw/zinc/07/73/25/562077325.db2.gz	QPINDZVKBGVULS-UHFFFAOYSA-N	0	0	511.691	2.546	1	0		KFAFRN
COc1ccc(-c2cc3c(c(=O)o2)C(=O)[C@@H]2[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@H]4C[C@H](O)[C@@]2(C)O3)cc1OC	ZINC000040554985	562077747	/nfs/dbraw/zinc/07/77/47/562077747.db2.gz	NUMBCVSTOUXZBP-KCBJIKDUSA-N	0	0	514.571	2.814	1	0		KFAFRN
CC(=O)N1CCN(C(=O)c2cccc(CSc3ncnc(NC(=O)c4ccc(N(C)C)cc4)n3)c2)CC1	ZINC000040564832	562077915	/nfs/dbraw/zinc/07/79/15/562077915.db2.gz	YSXMSGJFZINEEZ-UHFFFAOYSA-N	0	0	519.631	2.787	1	0		KFAFRN
COC(=O)N[C@@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)c1ccccc1	ZINC000040565552	562077935	/nfs/dbraw/zinc/07/79/35/562077935.db2.gz	WKQNFLURXJVQKT-LADGPHEKSA-N	0	0	534.679	2.660	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](c2ccccc2)NCCOc2ccccc2CCCNC1=O	ZINC000040567445	562078228	/nfs/dbraw/zinc/07/82/28/562078228.db2.gz	VCDBXWUJNJYKOY-SKBVVQJISA-N	0	0	508.663	2.884	1	0		KFAFRN
CCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000040584806	562078410	/nfs/dbraw/zinc/07/84/10/562078410.db2.gz	YHHWKECJJOALHQ-INIZCTEOSA-N	0	0	520.479	2.793	1	0		KFAFRN
O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc(F)ccc1N1CCS(=O)(=O)CC1	ZINC000040585054	562078432	/nfs/dbraw/zinc/07/84/32/562078432.db2.gz	KYRUQHLQQMTOJW-XMMPIXPASA-N	0	0	506.559	2.606	1	0		KFAFRN
CCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000040754071	562079428	/nfs/dbraw/zinc/07/94/28/562079428.db2.gz	YHHWKECJJOALHQ-MRXNPFEDSA-N	0	0	520.479	2.793	1	0		KFAFRN
COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc21	ZINC000040764127	562079587	/nfs/dbraw/zinc/07/95/87/562079587.db2.gz	HWXXUPJTADKUCU-LVXARBLLSA-N	0	0	523.615	2.653	1	0		KFAFRN
COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH]cn2)C(=O)[C@@]1(C)c1cccc2ccccc21	ZINC000040764128	562079527	/nfs/dbraw/zinc/07/95/27/562079527.db2.gz	HWXXUPJTADKUCU-HFZDXXHNSA-N	0	0	523.615	2.653	1	0		KFAFRN
CC(=O)N1CCN(C(=O)c2cccc(CSc3nc(NC(=O)c4ccc(N(C)C)cc4)n[nH]3)c2)CC1	ZINC000040764131	562079567	/nfs/dbraw/zinc/07/95/67/562079567.db2.gz	UFWDODPQTYHRKT-UHFFFAOYSA-N	0	0	507.620	2.720	1	0		KFAFRN
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccccn2)CC1	ZINC000040812625	562079817	/nfs/dbraw/zinc/07/98/17/562079817.db2.gz	GHVKGLPRTGATCC-HBQHZQSESA-N	0	0	505.659	2.783	1	0		KFAFRN
C[C@]12C[C@@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccccn2)CC1	ZINC000040812629	562079829	/nfs/dbraw/zinc/07/98/29/562079829.db2.gz	GHVKGLPRTGATCC-BQNLFAHSSA-N	0	0	505.659	2.783	1	0		KFAFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000040843459	562080129	/nfs/dbraw/zinc/08/01/29/562080129.db2.gz	RJNJLNSMOSAGFS-NDKLUTPFSA-N	0	0	507.480	2.680	1	0		KFAFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000040843461	562080103	/nfs/dbraw/zinc/08/01/03/562080103.db2.gz	RJNJLNSMOSAGFS-PJHKCTRSSA-N	0	0	507.480	2.680	1	0		KFAFRN
O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COC3CCOCC3)ccc2N(Cc2ccc(F)cc2)C1=O	ZINC000040848675	562080513	/nfs/dbraw/zinc/08/05/13/562080513.db2.gz	DXLDRPULBTVEJQ-IBGZPJMESA-N	0	0	502.564	2.904	1	0		KFAFRN
CCCCN1C(=O)[C@H]2CC=C(c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)CN2C1=O	ZINC000040860409	562080716	/nfs/dbraw/zinc/08/07/16/562080716.db2.gz	QEOJDNZTRVSSGT-JOCHJYFZSA-N	0	0	504.653	2.632	1	0		KFAFRN
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1	ZINC000040860632	562080711	/nfs/dbraw/zinc/08/07/11/562080711.db2.gz	DCIYDOCFGAWFEH-UHFFFAOYSA-N	0	0	501.587	2.547	1	0		KFAFRN
C[C@@H]1CN(CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1	ZINC000040864466	562081198	/nfs/dbraw/zinc/08/11/98/562081198.db2.gz	PJIHPWDQNLPHQA-HXOBKFHXSA-N	0	0	525.593	2.982	1	0		KFAFRN
Cc1cccc(OS(=O)(=O)N(C[C@@H](C)O)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2C=CCC2)c1	ZINC000040865240	562081325	/nfs/dbraw/zinc/08/13/25/562081325.db2.gz	VALWXACZYJANHM-PLKPRKFZSA-N	0	0	516.660	2.746	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(-c5ccc(O)c(CO)c5)ccc4O3)O2)c(=O)[nH]c1=O	ZINC000040878045	562082285	/nfs/dbraw/zinc/08/22/85/562082285.db2.gz	QDHNXJHFGRXICX-VNEKDTQFSA-N	0	0	514.427	2.897	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(-c5ccc(O)c(CO)c5)ccc4O3)O2)c(=O)[nH]c1=O	ZINC000040878049	562082328	/nfs/dbraw/zinc/08/23/28/562082328.db2.gz	QDHNXJHFGRXICX-MDOLINLXSA-N	0	0	514.427	2.897	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cc(-c4ccc(C(C)(C)C)cc4)no3)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O	ZINC000040897576	562083132	/nfs/dbraw/zinc/08/31/32/562083132.db2.gz	OMGUMHVXIMQZJT-YTFSRNRJSA-N	0	0	511.531	2.938	1	0		KFAFRN
CCOC(=O)c1sc([N-]c2nc(N3CCC([NH+](C)C)CC3)cc(N3CCC[C@H](CO)C3)n2)nc1C	ZINC000040901087	562083539	/nfs/dbraw/zinc/08/35/39/562083539.db2.gz	ZSJMZFAWBPGBEA-KRWDZBQOSA-N	0	0	503.673	2.901	1	0		KFAFRN
CCOC(=O)c1sc([N-]c2nc(N3CCC([NH+](C)C)CC3)cc(N3CCC[C@@H](CO)C3)n2)nc1C	ZINC000040901090	562083537	/nfs/dbraw/zinc/08/35/37/562083537.db2.gz	ZSJMZFAWBPGBEA-QGZVFWFLSA-N	0	0	503.673	2.901	1	0		KFAFRN
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000040913726	562083672	/nfs/dbraw/zinc/08/36/72/562083672.db2.gz	PHMOHCJNNKDPHI-UHFFFAOYSA-N	0	0	517.530	2.933	1	0		KFAFRN
O=C1CCSCCC(=O)Nc2cccc(n2)NC(=O)CCSCCC(=O)Nc2cccc(n2)N1	ZINC000040914449	562083738	/nfs/dbraw/zinc/08/37/38/562083738.db2.gz	PMKFHHANUGVCPG-UHFFFAOYSA-N	0	0	502.622	2.971	1	0		KFAFRN
CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)C)S(=O)(=O)c1ccc(OC)cc1	ZINC000040916973	562084003	/nfs/dbraw/zinc/08/40/03/562084003.db2.gz	BGGGBIPPLBDPHT-ZFILCQGISA-N	0	0	520.692	2.837	1	0		KFAFRN
Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(S(=O)(=O)CCN(C)C)CC4)cc3)n2)n1C(C)C	ZINC000040917546	562084110	/nfs/dbraw/zinc/08/41/10/562084110.db2.gz	SFQJTSXHVUPLIV-UHFFFAOYSA-N	0	0	512.684	2.986	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1	ZINC000040917614	562084131	/nfs/dbraw/zinc/08/41/31/562084131.db2.gz	PKSSDVMUYXYCMM-ANXXDXEHSA-N	0	0	503.599	2.558	1	0		KFAFRN
CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)CC)S(=O)(=O)c1ccc(OC)cc1	ZINC000040918628	562084374	/nfs/dbraw/zinc/08/43/74/562084374.db2.gz	JTWYVXJXGBJGLL-KPAGWKSRSA-N	0	0	520.692	2.981	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@@H]3N(Cc3ccccc3)C1=O)N2	ZINC000040918956	562084428	/nfs/dbraw/zinc/08/44/28/562084428.db2.gz	VMYSINMORXZBHR-WMZOPIPTSA-N	0	0	516.601	2.594	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@H]3N(Cc3ccccc3)C1=O)N2	ZINC000040918957	562084461	/nfs/dbraw/zinc/08/44/61/562084461.db2.gz	VMYSINMORXZBHR-SJLPKXTDSA-N	0	0	516.601	2.594	1	0		KFAFRN
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1	ZINC000040919011	562084499	/nfs/dbraw/zinc/08/44/99/562084499.db2.gz	PYUCRBRSVPPZAU-ILWGZMRPSA-N	0	0	507.653	2.768	1	0		KFAFRN
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1	ZINC000040933573	562084582	/nfs/dbraw/zinc/08/45/82/562084582.db2.gz	KQXQLJBYHQUENE-YSIASYRMSA-N	0	0	514.044	2.643	1	0		KFAFRN
COc1ccc(Cn2c3c(Br)csc3c3c2C(=O)NCCC3=C2NC(N)=NC2=O)cc1	ZINC000040933803	562084601	/nfs/dbraw/zinc/08/46/01/562084601.db2.gz	XGFSWQMYCKGSOE-QINSGFPZSA-N	0	0	500.378	2.811	1	0		KFAFRN
CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1	ZINC000040934427	562084813	/nfs/dbraw/zinc/08/48/13/562084813.db2.gz	OEZRQXWNZZKJIM-SOVGHPHASA-N	0	0	502.040	2.955	1	0		KFAFRN
Nc1nc2c(cnn2CCc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn21	ZINC000040935560	562084976	/nfs/dbraw/zinc/08/49/76/562084976.db2.gz	FEZAUPQJLJCQHD-UHFFFAOYSA-N	0	0	509.530	2.580	1	0		KFAFRN
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3C(=O)N3CC[NH+](CC(=O)[O-])CC3)cc2o1	ZINC000040936148	562085102	/nfs/dbraw/zinc/08/51/02/562085102.db2.gz	GIGIMGKAFFGNRE-UGKGYDQZSA-N	0	0	523.565	2.590	1	0		KFAFRN
Cc1ncc2n1C(=O)N(N1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2	ZINC000040937149	562085251	/nfs/dbraw/zinc/08/52/51/562085251.db2.gz	IOPAWTDJMUKCAD-UHFFFAOYSA-N	0	0	501.996	2.705	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(N(C)C)c2)CC1	ZINC000040937290	562085265	/nfs/dbraw/zinc/08/52/65/562085265.db2.gz	VZWPNTOXDXCICB-QHCPKHFHSA-N	0	0	504.635	2.813	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(N(C)C)c2)CC1	ZINC000040937293	562085221	/nfs/dbraw/zinc/08/52/21/562085221.db2.gz	VZWPNTOXDXCICB-HSZRJFAPSA-N	0	0	504.635	2.813	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Oc2cccc(N(C)C)c2)CC1	ZINC000040938726	562085442	/nfs/dbraw/zinc/08/54/42/562085442.db2.gz	YJNUMJAVTNULJQ-QFIPXVFZSA-N	0	0	505.619	2.861	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Oc2cccc(N(C)C)c2)CC1	ZINC000040938728	562085489	/nfs/dbraw/zinc/08/54/89/562085489.db2.gz	YJNUMJAVTNULJQ-JOCHJYFZSA-N	0	0	505.619	2.861	1	0		KFAFRN
COc1cc(C(C)C)c(Oc2cnc(NCC(C)(CO)CO)nc2N)cc1I	ZINC000040952984	562086367	/nfs/dbraw/zinc/08/63/67/562086367.db2.gz	KBKWHSURESTDNZ-UHFFFAOYSA-N	0	0	502.353	2.991	1	0		KFAFRN
O[C@H]1CS[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H]1O	ZINC000040954104	562086413	/nfs/dbraw/zinc/08/64/13/562086413.db2.gz	QMJFSSNSVVHFPD-WBIUFABUSA-N	0	0	503.753	2.664	1	0		KFAFRN
CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3N3CCCCC3)CC2)c(F)c1	ZINC000040974073	562087078	/nfs/dbraw/zinc/08/70/78/562087078.db2.gz	JJSMOCAWYBZNSM-UHFFFAOYSA-N	0	0	523.652	2.585	1	0		KFAFRN
Nc1ncnc2c1nc(NCc1ccc3ncccc3c1)n2[C@@H]1O[C@H](COCc2cc(F)c(F)c(F)c2)[C@@H](O)[C@H]1O	ZINC000042802839	562087876	/nfs/dbraw/zinc/08/78/76/562087876.db2.gz	FHFVZVSWLJLWTQ-VJUOEERUSA-N	0	0	567.528	2.822	1	0		KFAFRN
CCCN1CC(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)CN(CCC)C1=O	ZINC000042803179	562088111	/nfs/dbraw/zinc/08/81/11/562088111.db2.gz	QJVIDJIKMOAXEF-KCHLEUMXSA-N	0	0	585.696	2.527	1	0		KFAFRN
CN(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000042804065	562088597	/nfs/dbraw/zinc/08/85/97/562088597.db2.gz	SCZIDLPYDKQSDR-QFIPXVFZSA-N	0	0	616.684	2.954	1	0		KFAFRN
Cc1cc(C)cc(S(=O)(=O)c2c3cc(Br)ccc3[nH]c2C(=O)N[C@@H](C)CS(N)(=O)=O)c1	ZINC000042804251	562088703	/nfs/dbraw/zinc/08/87/03/562088703.db2.gz	MJLVOIVXLAWOLL-ZDUSSCGKSA-N	0	0	528.450	2.787	1	0		KFAFRN
Cc1cc(C)cc(S(=O)(=O)c2c3cc(Br)ccc3[nH]c2C(=O)N[C@H](C)CS(N)(=O)=O)c1	ZINC000042804256	562088710	/nfs/dbraw/zinc/08/87/10/562088710.db2.gz	MJLVOIVXLAWOLL-CYBMUJFWSA-N	0	0	528.450	2.787	1	0		KFAFRN
CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC1=O	ZINC000042804415	562088749	/nfs/dbraw/zinc/08/87/49/562088749.db2.gz	NUFASKQIWTXKBR-LZNKSJHBSA-N	0	0	625.804	2.810	1	0		KFAFRN
CC(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)c2ccccc2)C(C)(C)C)CSC1(C)C	ZINC000042805054	562088968	/nfs/dbraw/zinc/08/89/68/562088968.db2.gz	GKUGZHJDSRCEKG-APNLASKRSA-N	0	0	639.863	2.758	1	0	in-vitro	KFAFRN
COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CN1CCOCC1)CC2	ZINC000042805980	581097423	/nfs/dbraw/zinc/09/74/23/581097423.db2.gz	VMSXLNMNMRCQPD-UHFFFAOYSA-N	0	0	560.590	2.913	1	0		KFAFRN
COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1(C)CCCCC1)C(C)(C)C	ZINC000042806881	562089979	/nfs/dbraw/zinc/08/99/79/562089979.db2.gz	KVTHKYVJIYZNGR-HBCGFROJSA-N	0	0	617.832	2.898	1	0		KFAFRN
COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1(C)CCCCC1)C(C)(C)C	ZINC000042806887	562089964	/nfs/dbraw/zinc/08/99/64/562089964.db2.gz	KVTHKYVJIYZNGR-HVJQUYRXSA-N	0	0	617.832	2.898	1	0		KFAFRN
O=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12	ZINC000042807089	562090068	/nfs/dbraw/zinc/09/00/68/562090068.db2.gz	FSJNHBOOBOERLI-RRGQHJHPSA-N	0	0	595.675	2.794	1	0		KFAFRN
CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2ccc(=O)n(C)c2)[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@]13C	ZINC000042834382	291754407	/nfs/dbraw/zinc/75/44/07/291754407.db2.gz	PEFXNCJFEYSZKT-GXNYSBAXSA-N	0	0	625.671	2.728	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](O)[C@@H](OC(C)=O)C[C@@H](C)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O	ZINC000042834618	291753105	/nfs/dbraw/zinc/75/31/05/291753105.db2.gz	SPZUYBGWJJYLAL-NHJLZMLCSA-N	0	0	532.586	2.593	1	0	biogenic,in-vitro	KFAFRN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc1OCC)[nH]c2=O	ZINC000042835855	581095095	/nfs/dbraw/zinc/09/50/95/581095095.db2.gz	KOBDMRGBQOCYKD-UHFFFAOYSA-N	0	0	594.694	2.910	1	0		KFAFRN
CCCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCN(Cc3ccccc3)C2=O)[C@@H](CC)C1=O	ZINC000042892056	581092709	/nfs/dbraw/zinc/09/27/09/581092709.db2.gz	OWICHBITKWEVMT-YLSALNBJSA-N	0	0	556.654	2.596	1	0		KFAFRN
CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCN(Cc3ccccc3)C2=O)[C@@H](CC)C1=O	ZINC000042892063	581092769	/nfs/dbraw/zinc/09/27/69/581092769.db2.gz	OWICHBITKWEVMT-VKINHPFQSA-N	0	0	556.654	2.596	1	0		KFAFRN
C[C@H](N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000043021558	562644937	/nfs/dbraw/zinc/64/49/37/562644937.db2.gz	SNMXKBUUCRKSOO-QPUZGWTGSA-N	0	0	542.489	2.601	1	0		KFAFRN
C[C@@H](N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000043021561	562644915	/nfs/dbraw/zinc/64/49/15/562644915.db2.gz	SNMXKBUUCRKSOO-OUVNIVLFSA-N	0	0	542.489	2.601	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2	ZINC000043022827	562644967	/nfs/dbraw/zinc/64/49/67/562644967.db2.gz	HZJCYZWXZITKHQ-LOSJGSFVSA-N	0	0	531.609	2.664	1	0		KFAFRN
CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)[nH]c2n(CCCOC)c1=O	ZINC000043025108	562645072	/nfs/dbraw/zinc/64/50/72/562645072.db2.gz	KQMNNGBXJHFJAC-UHFFFAOYSA-N	0	0	520.590	2.693	1	0		KFAFRN
Cn1c(=O)cc(N2CC[NH+](CCCCN3c4ccccc4Sc4ccc(C(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000043059333	562645111	/nfs/dbraw/zinc/64/51/11/562645111.db2.gz	UQAJLTTZWHXNJH-UHFFFAOYSA-N	0	0	521.643	2.987	1	0		KFAFRN
CC(C)(N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000043065064	562645278	/nfs/dbraw/zinc/64/52/78/562645278.db2.gz	ARLGFRIOIANYPC-LDLOPFEMSA-N	0	0	556.516	2.991	1	0		KFAFRN
COC(=O)[C@@H](N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21)C(C)C	ZINC000043065073	562645373	/nfs/dbraw/zinc/64/53/73/562645373.db2.gz	NDYNKZQRVAZFLE-KTVCTNRHSA-N	0	0	544.505	2.820	1	0		KFAFRN
COC(=O)[C@H](N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21)C(C)C	ZINC000043065081	562645359	/nfs/dbraw/zinc/64/53/59/562645359.db2.gz	NDYNKZQRVAZFLE-KMHLYIPBSA-N	0	0	544.505	2.820	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CC)c(OC)cc(OC)c2c(=O)[nH]1	ZINC000043067020	562645398	/nfs/dbraw/zinc/64/53/98/562645398.db2.gz	NLWJVIMTKKBUSV-UHFFFAOYSA-N	0	0	516.620	2.505	1	0		KFAFRN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21	ZINC000043067838	562645428	/nfs/dbraw/zinc/64/54/28/562645428.db2.gz	SKCXLYIEEYIVAU-NKYVGUOTSA-N	0	0	544.505	2.963	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(Br)c(OC)cc(OC)c2c(=O)[nH]1	ZINC000043068655	562645480	/nfs/dbraw/zinc/64/54/80/562645480.db2.gz	SLOLBWOHEOMZKB-UHFFFAOYSA-N	0	0	567.462	2.705	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(C)(=O)=O)cc2)NC(=O)OCc2ccccc2)CC1	ZINC000043069826	562645513	/nfs/dbraw/zinc/64/55/13/562645513.db2.gz	WUOULMCRZGOQJX-QHCPKHFHSA-N	0	0	561.657	2.942	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000043070779	562645561	/nfs/dbraw/zinc/64/55/61/562645561.db2.gz	HZNOPMNRMQYYGJ-AHKZPQOWSA-N	0	0	517.626	2.949	1	0		KFAFRN
C[C@H](N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccc(F)cc1)C(=O)OCc1ccccc1	ZINC000043071413	562645552	/nfs/dbraw/zinc/64/55/52/562645552.db2.gz	XGFQNKACCKRNMN-GPQNMMOKSA-N	0	0	560.479	2.740	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000043075003	562645657	/nfs/dbraw/zinc/64/56/57/562645657.db2.gz	KLRWUZBGXAKCBB-RRPNLBNLSA-N	0	0	537.682	2.792	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(I)c(OC)cc(OC)c2c(=O)[nH]1	ZINC000043075194	562645670	/nfs/dbraw/zinc/64/56/70/562645670.db2.gz	QKZNLRUGWFXJAI-UHFFFAOYSA-N	0	0	614.462	2.547	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4Sc4ccc(C(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000043078214	562645750	/nfs/dbraw/zinc/64/57/50/562645750.db2.gz	UDCCWKBPMHTQIP-UHFFFAOYSA-N	0	0	521.643	2.987	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4Sc4c(C(=O)[O-])cccc43)CC2)n(C)c1=O	ZINC000043078217	562645761	/nfs/dbraw/zinc/64/57/61/562645761.db2.gz	JONUVZHQXKYZDL-UHFFFAOYSA-N	0	0	521.643	2.987	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21	ZINC000043079519	562645804	/nfs/dbraw/zinc/64/58/04/562645804.db2.gz	RBOGKSARPJZJBN-AOSSJETFSA-N	0	0	530.478	2.574	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21	ZINC000043079525	562645853	/nfs/dbraw/zinc/64/58/53/562645853.db2.gz	RBOGKSARPJZJBN-NMLLAVDLSA-N	0	0	530.478	2.574	1	0		KFAFRN
CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)[nH]c2n(CCCOC)c1=O	ZINC000043080684	562645865	/nfs/dbraw/zinc/64/58/65/562645865.db2.gz	AKZIEFVYNBPYOK-UHFFFAOYSA-N	0	0	519.558	2.830	1	0		KFAFRN
CC(C)(CO)N1CCN(C(=O)OC2([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000043102710	562645977	/nfs/dbraw/zinc/64/59/77/562645977.db2.gz	SUGZFIXSMJJZIS-FYYLOGMGSA-N	0	0	556.125	2.956	1	0		KFAFRN
O=C(NOCCO)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000043103789	562646000	/nfs/dbraw/zinc/64/60/00/562646000.db2.gz	YFALDKOPSLRMJM-UHFFFAOYSA-N	0	0	551.259	2.770	1	0		KFAFRN
O=C(NOCCO)c1cc(CNOCCCO)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000043103792	562645998	/nfs/dbraw/zinc/64/59/98/562645998.db2.gz	LMKDAMCBWRWHIT-UHFFFAOYSA-N	0	0	555.291	2.509	1	0		KFAFRN
CCCc1c(OC)cc(O)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12	ZINC000043119156	562646027	/nfs/dbraw/zinc/64/60/27/562646027.db2.gz	DTEATUMPIBRIJJ-UHFFFAOYSA-N	0	0	516.620	2.592	1	0		KFAFRN
CCCCc1c(OC)cc(O)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12	ZINC000043119881	562646055	/nfs/dbraw/zinc/64/60/55/562646055.db2.gz	JFPKHKJAPVUEDY-UHFFFAOYSA-N	0	0	530.647	2.982	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4Sc4ccc(CC(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000043121677	562646146	/nfs/dbraw/zinc/64/61/46/562646146.db2.gz	YJGZARVVQHKNAU-UHFFFAOYSA-N	0	0	535.670	2.916	1	0		KFAFRN
CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F)cc3N(C)S(=O)(=O)CC2	ZINC000043122183	562646207	/nfs/dbraw/zinc/64/62/07/562646207.db2.gz	RSFSVTXVNZOHJN-NZQKXSOJSA-N	0	0	552.619	2.837	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4Sc4cccc(C(=O)[O-])c43)CC2)n(C)c1=O	ZINC000043123180	562646266	/nfs/dbraw/zinc/64/62/66/562646266.db2.gz	GGTPJIUWVNXICI-UHFFFAOYSA-N	0	0	521.643	2.987	1	0		KFAFRN
CS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncc(C(=O)NCC(F)(F)F)c4)s3)c2)CC1	ZINC000043151895	562646413	/nfs/dbraw/zinc/64/64/13/562646413.db2.gz	YZSBBJRRSAKGQY-UHFFFAOYSA-N	0	0	541.581	2.717	1	0		KFAFRN
CN1c2cccc3c2n(c(=O)n3Cc2ccc3cc4c(cc3n2)C[C@]2(C4)c3cccnc3NC2=O)CC1=O	ZINC000043153535	562646429	/nfs/dbraw/zinc/64/64/29/562646429.db2.gz	GPGDUEJARULTDS-GDLZYMKVSA-N	0	0	502.534	2.760	1	0		KFAFRN
COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2cnc(N3CCOCC3)nc2)c1OC	ZINC000043170796	562646547	/nfs/dbraw/zinc/64/65/47/562646547.db2.gz	YTQNXENPQFRJGI-UWSNOUECSA-N	0	0	607.675	2.855	1	0		KFAFRN
COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2cnc(N3CCOCC3)nc2)c1OC	ZINC000043170798	562646537	/nfs/dbraw/zinc/64/65/37/562646537.db2.gz	YTQNXENPQFRJGI-YIXADMSASA-N	0	0	607.675	2.855	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1cc(C)c(Cl)cc1C(C)C	ZINC000043172360	562646625	/nfs/dbraw/zinc/64/66/25/562646625.db2.gz	VAVBOHIIWLYABS-WMHSNBSXSA-N	0	0	603.009	2.665	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1cc(C)c(Cl)cc1C(C)C	ZINC000043172362	562646580	/nfs/dbraw/zinc/64/65/80/562646580.db2.gz	VAVBOHIIWLYABS-KDFBYGIPSA-N	0	0	603.009	2.665	1	0		KFAFRN
CCCC(CCC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000043172369	562646633	/nfs/dbraw/zinc/64/66/33/562646633.db2.gz	CTQKOPUQJCOMPY-VNHJONDSSA-N	0	0	596.618	2.776	1	0		KFAFRN
Cn1c(=O)c(Cl)c(Nc2ccc(I)cc2F)c2c(=O)n(CCCO)cnc21	ZINC000043196554	562646789	/nfs/dbraw/zinc/64/67/89/562646789.db2.gz	DFRXOAYWYDHHKV-UHFFFAOYSA-N	0	0	504.687	2.618	1	0		KFAFRN
O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000043201615	562646926	/nfs/dbraw/zinc/64/69/26/562646926.db2.gz	YGQQLNQKNAXOKN-SYZXBLONSA-N	0	0	540.975	2.875	1	0	in-vitro	KFAFRN
COCc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-n1cccc(CCO)c1=O	ZINC000043202330	562646919	/nfs/dbraw/zinc/64/69/19/562646919.db2.gz	VKYVGNOZMWMZDF-SFHVURJKSA-N	0	0	517.991	2.989	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@@H](C(F)F)[C@H]2OCC(=O)[C@H]21	ZINC000043206262	562647064	/nfs/dbraw/zinc/64/70/64/562647064.db2.gz	IUIVNOPAVOHFLU-WNXIRNOKSA-N	0	0	575.682	2.766	1	0		KFAFRN
COc1ccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)cc1OC	ZINC000043207153	562647093	/nfs/dbraw/zinc/64/70/93/562647093.db2.gz	JYHQBYXSPOBQMT-UHFFFAOYSA-N	0	0	517.529	2.708	1	0		KFAFRN
COc1ccc(Cn2c(=O)c3cc(OCC(F)F)ccc3n(C3CCN(C=O)CC3)c2=O)cc1OC	ZINC000043207154	562647074	/nfs/dbraw/zinc/64/70/74/562647074.db2.gz	FNPZBJOAGLKYDG-UHFFFAOYSA-N	0	0	503.502	2.666	1	0		KFAFRN
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	ZINC000043260458	562647218	/nfs/dbraw/zinc/64/72/18/562647218.db2.gz	USQYZVYUUXQZHL-RNYPQSMOSA-N	0	0	574.747	2.560	1	0		KFAFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2C[C@H](OC(C)=O)[C@H](OC(C)=O)O2)c(OCc2ccc(Br)cc2)n1	ZINC000043307673	562647546	/nfs/dbraw/zinc/64/75/46/562647546.db2.gz	WZSUVJPVRZRZOO-XGHQBKJUSA-N	0	0	548.350	2.866	1	0		KFAFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2C[C@@H](OC(C)=O)[C@H](OC(C)=O)O2)c(OCc2ccc(Br)cc2)n1	ZINC000043307677	562647545	/nfs/dbraw/zinc/64/75/45/562647545.db2.gz	WZSUVJPVRZRZOO-LLGFUMIMSA-N	0	0	548.350	2.866	1	0		KFAFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2C[C@H](OC(C)=O)[C@H](OC(C)=O)O2)c(OCc2ccc(I)cc2)n1	ZINC000043307825	562647597	/nfs/dbraw/zinc/64/75/97/562647597.db2.gz	OUNJQYNCTGBRRO-XGHQBKJUSA-N	0	0	595.350	2.708	1	0		KFAFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2C[C@@H](OC(C)=O)[C@H](OC(C)=O)O2)c(OCc2ccc(I)cc2)n1	ZINC000043307829	562647598	/nfs/dbraw/zinc/64/75/98/562647598.db2.gz	OUNJQYNCTGBRRO-LLGFUMIMSA-N	0	0	595.350	2.708	1	0		KFAFRN
CCOC(=O)C(C(=O)OCC)N(CCCC(=O)[O-])C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000043382189	562648172	/nfs/dbraw/zinc/64/81/72/562648172.db2.gz	YIDFKKISZUBLCG-ISLYRVAYSA-N	0	0	567.595	2.781	1	0		KFAFRN
CC(C)(C)C(=O)OC[C@H](Cc1ccccc1)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000043469850	562648660	/nfs/dbraw/zinc/64/86/60/562648660.db2.gz	WGVLDFLEPBLEEF-XVYZEBQNSA-N	0	0	630.635	2.829	1	0		KFAFRN
CC(C)(C)C(=O)OC[C@H](Cc1ccccc1)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000043469853	562648662	/nfs/dbraw/zinc/64/86/62/562648662.db2.gz	WGVLDFLEPBLEEF-QEFUFCLBSA-N	0	0	630.635	2.829	1	0		KFAFRN
CC(C)(C)C(=O)OC[C@@H](Cc1ccccc1)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000043469858	562648636	/nfs/dbraw/zinc/64/86/36/562648636.db2.gz	WGVLDFLEPBLEEF-PAPFYVRYSA-N	0	0	630.635	2.829	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C	ZINC000043524035	562648896	/nfs/dbraw/zinc/64/88/96/562648896.db2.gz	QUUKVNWZLKQWBG-DHJGLREUSA-N	0	0	606.786	2.912	1	0	in-vivo	KFAFRN
Cn1cnc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1=O	ZINC000043532090	562649257	/nfs/dbraw/zinc/64/92/57/562649257.db2.gz	DIZSYYNTULIODN-CTDWIVFPSA-N	0	0	524.577	2.758	1	0		KFAFRN
O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2cc(CO)[nH]c2=O)CC1	ZINC000043532333	562649308	/nfs/dbraw/zinc/64/93/08/562649308.db2.gz	IXMGJGARMMCLFG-QHCPKHFHSA-N	0	0	556.545	2.788	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O	ZINC000043532543	562649404	/nfs/dbraw/zinc/64/94/04/562649404.db2.gz	CXNVASKCTNQIAR-IPUUMNCNSA-N	0	0	536.673	2.541	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2CCCNC1=O	ZINC000043532547	562649391	/nfs/dbraw/zinc/64/93/91/562649391.db2.gz	ASRVXTPFLGLIMH-OYUWMTPXSA-N	0	0	522.690	2.624	1	0		KFAFRN
COC(=O)c1ccc(O[P@@](=O)(N[C@@H](C)C(=O)OC)OC[C@H]2C=C[C@@H](n3cnc4c3ncnc4N)C2)cc1	ZINC000043543856	562649502	/nfs/dbraw/zinc/64/95/02/562649502.db2.gz	BLLUEXRAGUKNLV-DQJDZEQTSA-N	0	0	530.478	2.667	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)N(C)C	ZINC000043543909	562649532	/nfs/dbraw/zinc/64/95/32/562649532.db2.gz	LBNPRVGIPNMWRJ-YFNVTMOMSA-N	0	0	548.725	2.885	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)N(C)C	ZINC000043543910	562649530	/nfs/dbraw/zinc/64/95/30/562649530.db2.gz	LBNPRVGIPNMWRJ-WIYBCGNWSA-N	0	0	548.725	2.885	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(CCC(=O)OCOC(=O)C(C)C)ccc4O3)O2)c(=O)[nH]c1=O	ZINC000043552688	562649656	/nfs/dbraw/zinc/64/96/56/562649656.db2.gz	IWHVNLGECWKICB-YLBJQCCKSA-N	0	0	564.484	2.665	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(CCC(=O)OCOC(=O)C(C)C)ccc4O3)O2)c(=O)[nH]c1=O	ZINC000043552690	562649676	/nfs/dbraw/zinc/64/96/76/562649676.db2.gz	IWHVNLGECWKICB-LFRMJMAQSA-N	0	0	564.484	2.665	1	0		KFAFRN
Cc1cc(CCC(=O)OCOC(=O)C(C)C)cc2c1O[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2	ZINC000043552976	562649721	/nfs/dbraw/zinc/64/97/21/562649721.db2.gz	MUAFPBYSESEVBX-SBFWLRDYSA-N	0	0	578.511	2.973	1	0		KFAFRN
Cc1cc(CCC(=O)OCOC(=O)C(C)C)cc2c1O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2	ZINC000043552978	562649697	/nfs/dbraw/zinc/64/96/97/562649697.db2.gz	MUAFPBYSESEVBX-KFPFPBRYSA-N	0	0	578.511	2.973	1	0		KFAFRN
CO[C@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@@H](OC(C)=O)C[C@]56O)[C@@]4(C)C[C@H]3O[C@@]12O	ZINC000043562076	562649736	/nfs/dbraw/zinc/64/97/36/562649736.db2.gz	NRVDOTUZYZELQD-DLZLJHGGSA-N	0	0	574.667	2.549	1	0	in-vitro	KFAFRN
CO[C@H]1CCO[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)C[C@H]2O)[C@H]1O	ZINC000043562128	562649726	/nfs/dbraw/zinc/64/97/26/562649726.db2.gz	KGHVKLKIEZEJMZ-QPASPVMUSA-N	0	0	518.647	2.642	1	0		KFAFRN
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@H]1O	ZINC000043606154	562650163	/nfs/dbraw/zinc/65/01/63/562650163.db2.gz	GHONGAPOMUIQRP-NJVGKZQJSA-N	0	0	518.647	2.664	1	0		KFAFRN
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CC(C)ON(O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1	ZINC000043606186	562650161	/nfs/dbraw/zinc/65/01/61/562650161.db2.gz	AMPXDKZFRNJTCY-CDDCHQAHSA-N	0	0	579.731	2.625	1	0		KFAFRN
CC(C)ON(O[C@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1	ZINC000043617354	562650214	/nfs/dbraw/zinc/65/02/14/562650214.db2.gz	AMPXDKZFRNJTCY-XLPDRWCVSA-N	0	0	579.731	2.625	1	0		KFAFRN
CC(C)ON(O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1	ZINC000043617356	562650247	/nfs/dbraw/zinc/65/02/47/562650247.db2.gz	AMPXDKZFRNJTCY-DJMSXMJDSA-N	0	0	579.731	2.625	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCc2ccccc2CCCCNC1=O	ZINC000043620420	562650271	/nfs/dbraw/zinc/65/02/71/562650271.db2.gz	JYUPQDZMANQSKY-OYUWMTPXSA-N	0	0	522.690	2.971	1	0		KFAFRN
CC(=O)O[C@@H]1C(=O)OC[C@]23CC[C@H](C)C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/C(=O)OCC[C@H]1C)[C@@]3(C)[C@@]21CO1	ZINC000043627835	562650308	/nfs/dbraw/zinc/65/03/08/562650308.db2.gz	OWEYYAQMUBJLBM-LLKVGUTOSA-N	0	0	546.613	2.821	1	0		KFAFRN
CC(=O)O[C@@H]1C(=O)OC[C@]23CC[C@H](C)C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/C(=O)OCC[C@@H]1C)[C@@]3(C)[C@@]21CO1	ZINC000043627841	562650294	/nfs/dbraw/zinc/65/02/94/562650294.db2.gz	OWEYYAQMUBJLBM-QDJVFRTISA-N	0	0	546.613	2.821	1	0		KFAFRN
CCOc1ccccc1N1CCN(C[C@H](O)CN2C(=O)N(CC(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1	ZINC000043663859	562650686	/nfs/dbraw/zinc/65/06/86/562650686.db2.gz	VEHRMPJPBVTWEL-MHZLTWQESA-N	0	0	586.689	2.949	1	0		KFAFRN
CCOc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)N(CC(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1	ZINC000043663862	562650700	/nfs/dbraw/zinc/65/07/00/562650700.db2.gz	VEHRMPJPBVTWEL-HHHXNRCGSA-N	0	0	586.689	2.949	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cc(Cl)cc(Cl)c1	ZINC000043693071	562650811	/nfs/dbraw/zinc/65/08/11/562650811.db2.gz	XQEPNPPNROAEOP-GAOOPAGASA-N	0	0	534.289	2.960	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cc(Cl)cc(Cl)c1	ZINC000043693073	562650796	/nfs/dbraw/zinc/65/07/96/562650796.db2.gz	XQEPNPPNROAEOP-PFKHPHLTSA-N	0	0	534.289	2.960	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cc(Cl)cc(Cl)c1	ZINC000043693075	562650816	/nfs/dbraw/zinc/65/08/16/562650816.db2.gz	XQEPNPPNROAEOP-YWWNKTQHSA-N	0	0	534.289	2.960	1	0		KFAFRN
C/C1=C/C(=O)OC[C@]23CC[C@@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@H]4O[C@@H](C1)O[C@@H]4C)[C@@]3(C)[C@@]21CO1	ZINC000043799484	562650855	/nfs/dbraw/zinc/65/08/55/562650855.db2.gz	ZIYCBQPVLHOKPQ-WAZALUFUSA-N	0	0	528.598	2.918	1	0		KFAFRN
C/C1=C/C(=O)OC[C@]23CC[C@@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@H]4O[C@@H](C1)O[C@H]4C)[C@@]3(C)[C@@]21CO1	ZINC000043799487	562650866	/nfs/dbraw/zinc/65/08/66/562650866.db2.gz	ZIYCBQPVLHOKPQ-SLRVZUMSSA-N	0	0	528.598	2.918	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2ncnc3N)O1)Oc1ccc(Br)cc1	ZINC000043833593	562650928	/nfs/dbraw/zinc/65/09/28/562650928.db2.gz	GIYDIZHRJJOHLB-QUDASBQSSA-N	0	0	553.310	2.979	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cnc3c2ncnc3N)O1)Oc1ccc(I)cc1	ZINC000043833917	562650920	/nfs/dbraw/zinc/65/09/20/562650920.db2.gz	TUMBBIMTFYKAJM-QUDASBQSSA-N	0	0	600.310	2.822	1	0		KFAFRN
CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C	ZINC000043871593	562651081	/nfs/dbraw/zinc/65/10/81/562651081.db2.gz	BVUPHUGBMXXKDB-IMYZOBBFSA-N	0	0	556.656	2.721	1	0		KFAFRN
CCC[C@H](N)C(=O)O[C@H]1C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C	ZINC000043871599	562651055	/nfs/dbraw/zinc/65/10/55/562651055.db2.gz	BVUPHUGBMXXKDB-BQORKDGASA-N	0	0	556.656	2.721	1	0		KFAFRN
CC(=O)O[C@H](C)[C@@H](O)/C=C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(COC(=O)/C=C(\C)CCO)[C@]1(C)[C@]21CO1	ZINC000043872106	562651107	/nfs/dbraw/zinc/65/11/07/562651107.db2.gz	GTTXCTOAXVFURA-KZZZNCCSSA-N	0	0	574.667	2.868	1	0		KFAFRN
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CCC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000044031657	562651546	/nfs/dbraw/zinc/65/15/46/562651546.db2.gz	JLMHSWNOVRJMBK-IBGZPJMESA-N	0	0	560.600	2.658	1	0		KFAFRN
CCC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000044031659	562651562	/nfs/dbraw/zinc/65/15/62/562651562.db2.gz	JLMHSWNOVRJMBK-LJQANCHMSA-N	0	0	560.600	2.658	1	0		KFAFRN
CO[C@@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@@H](OC(C)=O)C[C@]56O)[C@@]4(C)C[C@H]3O[C@@]12O	ZINC000044032045	562651706	/nfs/dbraw/zinc/65/17/06/562651706.db2.gz	NRVDOTUZYZELQD-JJSCBUTHSA-N	0	0	574.667	2.549	1	0	in-vitro	KFAFRN
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COC(=O)/C=C/Cn1cnc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1=O	ZINC000044053254	562651968	/nfs/dbraw/zinc/65/19/68/562651968.db2.gz	LPQJIGPFBAGFIU-GIZBMJNZSA-N	0	0	608.651	2.950	1	0		KFAFRN
CCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O	ZINC000044086405	562652210	/nfs/dbraw/zinc/65/22/10/562652210.db2.gz	CXNVASKCTNQIAR-FHPOJIKLSA-N	0	0	536.673	2.541	1	0		KFAFRN
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CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2CCNC1=O	ZINC000044280170	562652817	/nfs/dbraw/zinc/65/28/17/562652817.db2.gz	AEGFCTCJEIVEAM-OYUWMTPXSA-N	0	0	522.690	2.624	1	0		KFAFRN
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CC(=O)c1ccc(NC(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000044281771	562653267	/nfs/dbraw/zinc/65/32/67/562653267.db2.gz	ODMWLVXNKXJSRX-UHFFFAOYSA-N	0	0	615.778	2.887	1	0		KFAFRN
CC(=O)O[C@H]1C[C@@]23C(=C1C)[C@@](O)(C(=O)OC2(C)C)[C@@]1(C)[C@H]([C@@H]3OC(=O)c2ccccc2)[C@]2(OC(C)=O)CO[C@@H]2C[C@@H]1OC(C)=O	ZINC000044306036	562653625	/nfs/dbraw/zinc/65/36/25/562653625.db2.gz	VNZAXYQORLDPNX-FXVZGFPASA-N	0	0	626.655	2.589	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@@H](N)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC1CC1	ZINC000044306541	562653776	/nfs/dbraw/zinc/65/37/76/562653776.db2.gz	OIEMGASMKFTAFB-APNLASKRSA-N	0	0	637.847	2.512	1	0		KFAFRN
CCOC(=O)CN1C(=O)N(C[C@H](O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O	ZINC000044306635	562653825	/nfs/dbraw/zinc/65/38/25/562653825.db2.gz	ZKCCIZZQIDHSIW-HHHXNRCGSA-N	0	0	586.689	2.949	1	0		KFAFRN
CCOC(=O)CN1C(=O)N(C[C@@H](O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O	ZINC000044306638	562653814	/nfs/dbraw/zinc/65/38/14/562653814.db2.gz	ZKCCIZZQIDHSIW-MHZLTWQESA-N	0	0	586.689	2.949	1	0		KFAFRN
CCCCOC(=O)[C@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)C1	ZINC000044308171	562654200	/nfs/dbraw/zinc/65/42/00/562654200.db2.gz	WVOHLOPLIMIFEL-QYHBWJHQSA-N	0	0	592.594	2.848	1	0		KFAFRN
CCCCOC(=O)[C@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)C1	ZINC000044308174	562654208	/nfs/dbraw/zinc/65/42/08/562654208.db2.gz	WVOHLOPLIMIFEL-FPWZQCROSA-N	0	0	592.594	2.848	1	0		KFAFRN
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COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000044323912	562654327	/nfs/dbraw/zinc/65/43/27/562654327.db2.gz	XUYFUIBPVTXNAH-WVHNUSTGSA-N	0	0	541.497	2.876	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000044323919	562654300	/nfs/dbraw/zinc/65/43/00/562654300.db2.gz	XUYFUIBPVTXNAH-QZCDCFSWSA-N	0	0	541.497	2.876	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000044323925	562654326	/nfs/dbraw/zinc/65/43/26/562654326.db2.gz	XUYFUIBPVTXNAH-CXDORXINSA-N	0	0	541.497	2.876	1	0		KFAFRN
COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1)C(C)(C)C	ZINC000044350876	562654421	/nfs/dbraw/zinc/65/44/21/562654421.db2.gz	BCVYHTQTUISUMZ-OIQRCWJPSA-N	0	0	603.805	2.508	1	0		KFAFRN
COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1)C(C)(C)C	ZINC000044350879	562654400	/nfs/dbraw/zinc/65/44/00/562654400.db2.gz	BCVYHTQTUISUMZ-AIOSZGMZSA-N	0	0	603.805	2.508	1	0		KFAFRN
CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC	ZINC000044350929	562654403	/nfs/dbraw/zinc/65/44/03/562654403.db2.gz	VTKKYXSRNMKYHV-ULNSLHSMSA-N	0	0	590.696	2.849	1	0		KFAFRN
COc1ccccc1N1CCN(CCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1	ZINC000044351113	562654495	/nfs/dbraw/zinc/65/44/95/562654495.db2.gz	XKFZAIGEWBQUMT-HSZRJFAPSA-N	0	0	581.117	2.690	1	0		KFAFRN
COc1ccccc1N1CCN(CCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1	ZINC000044351115	562654489	/nfs/dbraw/zinc/65/44/89/562654489.db2.gz	XKFZAIGEWBQUMT-QHCPKHFHSA-N	0	0	581.117	2.690	1	0		KFAFRN
COc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1	ZINC000044351205	562654539	/nfs/dbraw/zinc/65/45/39/562654539.db2.gz	JUVIZUPSXSIJMO-VFCPCCRCSA-N	0	0	633.767	2.617	1	0	in-vivo	KFAFRN
CC(C)[C@@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	ZINC000044351809	562654845	/nfs/dbraw/zinc/65/48/45/562654845.db2.gz	VSIOQSQMFWTZBT-GDOPWKQSSA-N	0	0	595.785	2.790	1	0		KFAFRN
CC(C)[C@@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	ZINC000044351812	562654858	/nfs/dbraw/zinc/65/48/58/562654858.db2.gz	VSIOQSQMFWTZBT-QIPZGUFPSA-N	0	0	595.785	2.790	1	0		KFAFRN
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CCCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(OC)c2ccccc12)[C@H](C)CC)C(=O)[O-]	ZINC000044352103	562655018	/nfs/dbraw/zinc/65/50/18/562655018.db2.gz	WGYDJUMLABBZSI-VWIQTCEGSA-N	0	0	641.810	2.981	1	0		KFAFRN
CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O	ZINC000044352308	562655102	/nfs/dbraw/zinc/65/51/02/562655102.db2.gz	DIHRXASRPCPNQT-AWCRTANDSA-N	0	0	542.680	2.701	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1	ZINC000044352442	562655132	/nfs/dbraw/zinc/65/51/32/562655132.db2.gz	VKLUHZYRUNUZJT-VJGNERBWSA-N	0	0	547.718	2.591	1	0		KFAFRN
CC[C@H]1CC(=O)O[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2nc(cs2)C(=O)N1	ZINC000044358255	562655245	/nfs/dbraw/zinc/65/52/45/562655245.db2.gz	HTERYHQTEBIQTA-USLAZGEGSA-N	0	0	599.754	2.717	1	0	in-vitro	KFAFRN
CCCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)[C@@H](CC)C1=O	ZINC000044358299	562655275	/nfs/dbraw/zinc/65/52/75/562655275.db2.gz	AOQDELDVXVGZSZ-ABTFIVDISA-N	0	0	570.681	2.638	1	0		KFAFRN
CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)[C@@H](CC)C1=O	ZINC000044358304	562655332	/nfs/dbraw/zinc/65/53/32/562655332.db2.gz	AOQDELDVXVGZSZ-MASCHLQQSA-N	0	0	570.681	2.638	1	0		KFAFRN
COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)COC1=O	ZINC000044358597	562655343	/nfs/dbraw/zinc/65/53/43/562655343.db2.gz	HJHZDTVOGKTIQP-MHRHUJCJSA-N	0	0	568.531	2.700	1	0		KFAFRN
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@H](C)c3ccccn3)[nH]c(=O)c2nn1C	ZINC000044358832	562655387	/nfs/dbraw/zinc/65/53/87/562655387.db2.gz	FCMDGPPBCUEITO-QGZVFWFLSA-N	0	0	552.661	2.555	1	0		KFAFRN
CCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1	ZINC000044358861	562655378	/nfs/dbraw/zinc/65/53/78/562655378.db2.gz	MXZLZRQRZAOIMU-UHFFFAOYSA-N	0	0	566.688	2.715	1	0	in-vivo	KFAFRN
Cc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1	ZINC000044359384	562655475	/nfs/dbraw/zinc/65/54/75/562655475.db2.gz	LAVCSYCCYHZRBK-VFCPCCRCSA-N	0	0	617.768	2.917	1	0	in-vivo	KFAFRN
CC[C@H](C)[C@H]1NC(=O)c2coc(n2)[C@H](C)NC(=O)[C@H]2COC(=N2)[C@@H](Cc2ccccc2)NC(=O)c2csc1n2	ZINC000044359589	562655484	/nfs/dbraw/zinc/65/54/84/562655484.db2.gz	PNCLWRPJCHTJRB-PATGGNKXSA-N	0	0	550.641	2.978	1	0		KFAFRN
COc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1	ZINC000044360060	562655549	/nfs/dbraw/zinc/65/55/49/562655549.db2.gz	QGAHVOMMQMAYSQ-VFCPCCRCSA-N	0	0	633.767	2.617	1	0	in-vivo	KFAFRN
CC(C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O	ZINC000044360153	562655567	/nfs/dbraw/zinc/65/55/67/562655567.db2.gz	IEUFDXNGDNWAKU-MAKNZWJESA-N	0	0	611.777	2.516	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000044361316	562655695	/nfs/dbraw/zinc/65/56/95/562655695.db2.gz	PYZMMVJUIASJSA-PMKZNCCTSA-N	0	0	529.486	2.817	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000044361325	562655696	/nfs/dbraw/zinc/65/56/96/562655696.db2.gz	PYZMMVJUIASJSA-PMXNRTMHSA-N	0	0	529.486	2.817	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@H]23)cc1	ZINC000044386564	562655948	/nfs/dbraw/zinc/65/59/48/562655948.db2.gz	BINXAIIXOUQUKC-MMKSVXGCSA-N	0	0	562.685	2.802	1	0		KFAFRN
CC[C@@H](C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(C)=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21	ZINC000044404272	562656432	/nfs/dbraw/zinc/65/64/32/562656432.db2.gz	KMMJMPMYOFYWLK-UNXYNXHZSA-N	0	0	508.564	2.657	1	0		KFAFRN
CC[C@H](C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(C)=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21	ZINC000044404276	562656415	/nfs/dbraw/zinc/65/64/15/562656415.db2.gz	KMMJMPMYOFYWLK-JIWDTJFPSA-N	0	0	508.564	2.657	1	0		KFAFRN
Cc1ccc(NC(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000044405251	562656615	/nfs/dbraw/zinc/65/66/15/562656615.db2.gz	XSNYHRLPPBOXEN-UHFFFAOYSA-N	0	0	587.768	2.992	1	0		KFAFRN
CC(C)=CC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(C)=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21	ZINC000044405372	562656646	/nfs/dbraw/zinc/65/66/46/562656646.db2.gz	VWPAUOAIYXYRNM-XVFPEDIHSA-N	0	0	506.548	2.577	1	0		KFAFRN
COc1ccc(NC(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000044405800	562656747	/nfs/dbraw/zinc/65/67/47/562656747.db2.gz	KXTMDDPIRVPVNK-UHFFFAOYSA-N	0	0	603.767	2.693	1	0		KFAFRN
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O	ZINC000044405804	562656739	/nfs/dbraw/zinc/65/67/39/562656739.db2.gz	ZHLSFKRYXVZYFT-KGNYYXFWSA-N	0	0	520.663	2.600	1	0		KFAFRN
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4C(=O)O[C@@H]5CO[C@]6(C)O[C@H](O)/C(=C/C[C@@H]43)[C@H]56)C2)O[C@H](C)[C@H]1O	ZINC000044406652	562656912	/nfs/dbraw/zinc/65/69/12/562656912.db2.gz	RIZURMSYPNFAAV-GSCZNSFOSA-N	0	0	520.619	2.588	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2cccnc2)=NC1=O	ZINC000044417023	562657023	/nfs/dbraw/zinc/65/70/23/562657023.db2.gz	NUCMLSBPZAAMPG-SSEXGKCCSA-N	0	0	529.560	2.635	1	0		KFAFRN
CC(C)[C@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)C1CCCCC1	ZINC000044417355	562657106	/nfs/dbraw/zinc/65/71/06/562657106.db2.gz	QPMHQMDDQGTWIA-HDLSVZIZSA-N	0	0	615.816	2.697	1	0		KFAFRN
CC(C)[C@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)C1CCCCC1	ZINC000044417359	562657089	/nfs/dbraw/zinc/65/70/89/562657089.db2.gz	QPMHQMDDQGTWIA-ZHQALRMLSA-N	0	0	615.816	2.697	1	0		KFAFRN
C[C@H](O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C/c1ccccc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O	ZINC000044417459	562657114	/nfs/dbraw/zinc/65/71/14/562657114.db2.gz	CSSZPOBBUXFMAA-XKUIIKJLSA-N	0	0	512.643	2.887	1	0		KFAFRN
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3cn(COC(=O)C(C)(C)C)nn3)C[C@@]12C	ZINC000044419016	562657365	/nfs/dbraw/zinc/65/73/65/562657365.db2.gz	FSACLYXLVDMVBF-SLYCSCQRSA-N	0	0	547.605	2.545	1	0		KFAFRN
CN(c1nn(CCC(C)(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O)C(C)(C)C	ZINC000044419293	562657461	/nfs/dbraw/zinc/65/74/61/562657461.db2.gz	RFXXKUDRQKZWSW-UHFFFAOYSA-N	0	0	554.695	2.552	1	0		KFAFRN
C[C@H](N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000044430357	562657482	/nfs/dbraw/zinc/65/74/82/562657482.db2.gz	SNMXKBUUCRKSOO-BYZULKCTSA-N	0	0	542.489	2.601	1	0		KFAFRN
CC(C)(F)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O	ZINC000044430375	562657472	/nfs/dbraw/zinc/65/74/72/562657472.db2.gz	CVQBCDQINMLAJX-OALUTQOASA-N	0	0	544.605	2.603	1	0		KFAFRN
CNC(=O)N[C@@H]1CC[C@H](NC(=O)c2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1	ZINC000044430671	562657622	/nfs/dbraw/zinc/65/76/22/562657622.db2.gz	MDZATLTZIQXOBU-TYCQWZJGSA-N	0	0	580.633	2.504	1	0		KFAFRN
CNC(=O)N[C@@H]1CC[C@@H](NC(=O)c2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1	ZINC000044430675	562657613	/nfs/dbraw/zinc/65/76/13/562657613.db2.gz	MDZATLTZIQXOBU-MAODMQOUSA-N	0	0	580.633	2.504	1	0		KFAFRN
CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1(C(N)=O)CC1)S(=O)(=O)c1ccc2ncsc2c1	ZINC000044431044	562657764	/nfs/dbraw/zinc/65/77/64/562657764.db2.gz	CAQBHFQHVSOLDD-XZOQPEGZSA-N	0	0	558.726	2.831	1	0		KFAFRN
CC(C)=CC(=O)NC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccc(Oc3ccccc3)cc2)[C@H](O)[C@@H]1O	ZINC000044431249	562657780	/nfs/dbraw/zinc/65/77/80/562657780.db2.gz	TYLDHYWNZIQPPM-VGSCBBJJSA-N	0	0	530.585	2.932	1	0		KFAFRN
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000044460279	562657988	/nfs/dbraw/zinc/65/79/88/562657988.db2.gz	PEWRQHFGBBTOMS-FFYZIMEISA-N	0	0	544.803	2.609	1	0	in-vitro	KFAFRN
CCCCOC(=O)[C@H](CCC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(N)[nH]c(=O)c3c2)cc1	ZINC000045188153	562658269	/nfs/dbraw/zinc/65/82/69/562658269.db2.gz	LUNQRNLORPNNNO-FQEVSTJZSA-N	0	0	515.592	2.548	1	0		KFAFRN
COc1cc(Nc2nccc(N3CC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)n2)cc(OC)c1OC	ZINC000045189197	562658416	/nfs/dbraw/zinc/65/84/16/562658416.db2.gz	FCMKTDGGEKMIFE-AOMKIAJQSA-N	0	0	507.547	2.781	1	0		KFAFRN
COc1cc(Nc2nccc(N3CC[C@@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)n2)cc(OC)c1OC	ZINC000045189200	562658400	/nfs/dbraw/zinc/65/84/00/562658400.db2.gz	FCMKTDGGEKMIFE-ZHRRBRCNSA-N	0	0	507.547	2.781	1	0		KFAFRN
CCOc1cc(OCC)cc(C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(=O)c2ccccc2OC(C)=O)c1	ZINC000045245193	562659691	/nfs/dbraw/zinc/65/96/91/562659691.db2.gz	BBKFGNNYIPVEEZ-UEQSERJNSA-N	0	0	500.500	2.958	1	0		KFAFRN
CN1C[C@H]2CC[C@@H](C1)N2C(=O)OC1([C@H]2COC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000045254254	562659837	/nfs/dbraw/zinc/65/98/37/562659837.db2.gz	LTDWBGCVXKZHDT-YUVXSKOASA-N	0	0	510.056	2.956	1	0		KFAFRN
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CCNC2=O)CC1	ZINC000045256362	562659926	/nfs/dbraw/zinc/65/99/26/562659926.db2.gz	PNWFXOYGKIDOKT-RHSMWYFYSA-N	0	0	502.484	2.913	1	0		KFAFRN
NC(=O)CC1CCN(C(=O)OC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000045259089	562660008	/nfs/dbraw/zinc/66/00/08/562660008.db2.gz	JUTYPLWHJOBRLD-LEWJYISDSA-N	0	0	526.055	2.765	1	0		KFAFRN
NC(=[NH2+])NCCC[C@H]([NH2+]CCc1nc(C(=O)[O-])cc2c3ccccc3n(Cc3ccccc3)c21)C(=O)[O-]	ZINC000045287378	562660268	/nfs/dbraw/zinc/66/02/68/562660268.db2.gz	ANBNKOWPUZBTQO-NRFANRHFSA-N	0	0	502.575	2.785	1	0		KFAFRN
CC1=C(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)C(=O)N([N-]S(=O)(=O)c2cccc3ccccc32)CC1	ZINC000045287747	562660271	/nfs/dbraw/zinc/66/02/71/562660271.db2.gz	MFZHYPJORZNYLO-UHFFFAOYSA-N	0	0	505.600	2.572	1	0		KFAFRN
CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(C(=O)OC)CC3)c(N3CCO[C@H](C)C3)n2)cc1	ZINC000045289115	562660282	/nfs/dbraw/zinc/66/02/82/562660282.db2.gz	JVZAZERWGBCCMA-MRXNPFEDSA-N	0	0	508.583	2.873	1	0		KFAFRN
CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(C(=O)OC)CC3)c(N3CCO[C@@H](C)C3)n2)cc1	ZINC000045289118	562660292	/nfs/dbraw/zinc/66/02/92/562660292.db2.gz	JVZAZERWGBCCMA-INIZCTEOSA-N	0	0	508.583	2.873	1	0		KFAFRN
Cn1cc(Cc2nn[nH]c2CNS(=O)(=O)c2ccc(I)cc2)c2ccccc21	ZINC000045302993	562660745	/nfs/dbraw/zinc/66/07/45/562660745.db2.gz	GANCGUDNRNXMKP-UHFFFAOYSA-N	0	0	507.357	2.970	1	0		KFAFRN
O=C(Cc1ccsc1)N[C@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000045316901	562660899	/nfs/dbraw/zinc/66/08/99/562660899.db2.gz	AXHAIZKISBVMFT-BJKOFHAPSA-N	0	0	513.685	2.733	1	0		KFAFRN
O=C(Cc1ccsc1)N[C@H]1CCN(C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000045316908	562660905	/nfs/dbraw/zinc/66/09/05/562660905.db2.gz	AXHAIZKISBVMFT-ZEQRLZLVSA-N	0	0	513.685	2.733	1	0		KFAFRN
CCCNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C	ZINC000045317873	562660859	/nfs/dbraw/zinc/66/08/59/562660859.db2.gz	XCPANSHWKOZBFS-ACIOBRDBSA-N	0	0	513.660	2.609	1	0		KFAFRN
COc1ccc2nccc([C@@H](O)CN3CC[C@@H](NCc4nc5c(cc4Cl)OCC(=O)N5)[C@H](F)C3)c2c1	ZINC000045323091	562661121	/nfs/dbraw/zinc/66/11/21/562661121.db2.gz	WQMYUWUIHPTUEM-UZKOGDIHSA-N	0	0	515.973	2.858	1	0		KFAFRN
COc1cc2nc(N3CCN(C(=O)c4cccc(I)c4)CC3)nc(N)c2cc1OC	ZINC000045334850	562661352	/nfs/dbraw/zinc/66/13/52/562661352.db2.gz	ADFSWJYBWNAKOT-UHFFFAOYSA-N	0	0	519.343	2.796	1	0		KFAFRN
Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2	ZINC000045350307	562661703	/nfs/dbraw/zinc/66/17/03/562661703.db2.gz	WSDPDXBHHQAFEA-JOCHJYFZSA-N	0	0	517.007	2.608	1	0		KFAFRN
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000045350477	562661704	/nfs/dbraw/zinc/66/17/04/562661704.db2.gz	MFXVEJMJXBUBJG-ADLFWFRXSA-N	0	0	526.638	2.537	1	0		KFAFRN
O=S(=O)(NC1CCN(CCCO)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F	ZINC000045350664	562661712	/nfs/dbraw/zinc/66/17/12/562661712.db2.gz	BYFVNIXKNHYYLL-UHFFFAOYSA-N	0	0	506.568	2.663	1	0		KFAFRN
Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2	ZINC000045350740	562661699	/nfs/dbraw/zinc/66/16/99/562661699.db2.gz	WSDPDXBHHQAFEA-QFIPXVFZSA-N	0	0	517.007	2.608	1	0		KFAFRN
Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(=O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2	ZINC000045353456	562661774	/nfs/dbraw/zinc/66/17/74/562661774.db2.gz	HFRTYYHFJGCTEY-UHFFFAOYSA-N	0	0	514.991	2.816	1	0		KFAFRN
C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1	ZINC000045358196	562661952	/nfs/dbraw/zinc/66/19/52/562661952.db2.gz	URRPAFUDRLDWED-UHFFFAOYSA-N	0	0	508.381	2.510	1	0		KFAFRN
CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1	ZINC000045365055	562662081	/nfs/dbraw/zinc/66/20/81/562662081.db2.gz	KRVUNMSOWZKYTH-UHFFFAOYSA-N	0	0	515.394	2.772	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCN(c2ccc(N3C[C@H](COC(=O)N[C@H]4C=C[C@@H](O)C4)OC3=O)cc2F)CC1	ZINC000045365744	562662060	/nfs/dbraw/zinc/66/20/60/562662060.db2.gz	BXXFZOHUKNSKDC-QXAKKESOSA-N	0	0	520.558	2.624	1	0		KFAFRN
O=C(Cc1nnc(-c2cc(Cl)cc(N3CCOCC3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1	ZINC000045371613	562662248	/nfs/dbraw/zinc/66/22/48/562662248.db2.gz	HSINQIBGMUZJGM-UHFFFAOYSA-N	0	0	523.981	2.671	1	0		KFAFRN
COc1ccc(N(C)C(=O)CNC(=O)c2nn(-c3ccc(OC)cc3OC)c(=O)c3ccccc32)cc1	ZINC000045371832	562662256	/nfs/dbraw/zinc/66/22/56/562662256.db2.gz	PDLFHMJOLWVWKI-UHFFFAOYSA-N	0	0	502.527	2.804	1	0		KFAFRN
O=C(c1ncc[nH]1)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1	ZINC000045387998	562662465	/nfs/dbraw/zinc/66/24/65/562662465.db2.gz	PFMUUSIECIASRE-UHFFFAOYSA-N	0	0	517.348	2.986	1	0		KFAFRN
O=C(Cc1cccs1)N[C@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000045389449	562662489	/nfs/dbraw/zinc/66/24/89/562662489.db2.gz	HDCVAZLSQVVXCC-XZOQPEGZSA-N	0	0	513.685	2.733	1	0		KFAFRN
O=C(Cc1cccs1)N[C@H]1CCN(C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000045389453	562662500	/nfs/dbraw/zinc/66/25/00/562662500.db2.gz	HDCVAZLSQVVXCC-GOTSBHOMSA-N	0	0	513.685	2.733	1	0		KFAFRN
CCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1	ZINC000045391711	562662584	/nfs/dbraw/zinc/66/25/84/562662584.db2.gz	GOJNJYIZSFVVBN-QHCPKHFHSA-N	0	0	523.634	2.843	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c(C)[nH]c5ccccc54)CC3)c(F)c2)C(=O)O1	ZINC000045497260	562662721	/nfs/dbraw/zinc/66/27/21/562662721.db2.gz	GNVNJGOHKROCCN-IBGZPJMESA-N	0	0	521.549	2.608	1	0		KFAFRN
CC(C)Oc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3cnccc3N)cc2)ccc1C(=O)[N-]S(C)(=O)=O	ZINC000045498864	562662806	/nfs/dbraw/zinc/66/28/06/562662806.db2.gz	ZOEWKLNYTOCOCA-DEOSSOPVSA-N	0	0	512.632	2.673	1	0		KFAFRN
CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCCNS(C)(=O)=O)C(=O)Nc1nccs1)N(O)C=O	ZINC000048307369	562663027	/nfs/dbraw/zinc/66/30/27/562663027.db2.gz	BHFFRPGXBLMVNT-HKBOAZHASA-N	0	0	559.755	2.889	1	0		KFAFRN
COc1ccc(Cn2c3c(nc2N2CCN(S(=O)(=O)c4ccc(OC)cc4)CC2)n(CC2CC2)c(=O)n(CC2CC2)c3=O)cc1	ZINC000048307379	562663057	/nfs/dbraw/zinc/66/30/57/562663057.db2.gz	CDDVODYOTNUTCO-UHFFFAOYSA-N	0	0	634.759	2.756	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@@H]2CCCc3ccc(OCc4ccccc4)cc32)[C@H](O)[C@@H]1O	ZINC000048998080	562663154	/nfs/dbraw/zinc/66/31/54/562663154.db2.gz	WOEJISQQQWVQMD-JMFNPSSSSA-N	0	0	503.559	2.506	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@H]2CCCc3ccc(OCc4ccccc4)cc32)[C@H](O)[C@@H]1O	ZINC000048998081	562663165	/nfs/dbraw/zinc/66/31/65/562663165.db2.gz	WOEJISQQQWVQMD-UXSDZZPMSA-N	0	0	503.559	2.506	1	0		KFAFRN
OC[C@H]1O[C@H](n2cnc3c2ncnc3NCC(c2cccc(Cl)c2)c2cccc(Cl)c2)[C@H](O)[C@@H]1O	ZINC000048998083	562663160	/nfs/dbraw/zinc/66/31/60/562663160.db2.gz	IGIQTLNTMYPXFO-XLRKYUMYSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCC(c2cccc(Cl)c2)c2cccc(Cl)c2)[C@H](O)[C@@H]1O	ZINC000048998084	562663174	/nfs/dbraw/zinc/66/31/74/562663174.db2.gz	IGIQTLNTMYPXFO-UMCMBGNQSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@H](n2cnc3c2ncnc3NC[C@H](c2ccccc2)c2c(Cl)cccc2Cl)[C@H](O)[C@@H]1O	ZINC000048998158	562663185	/nfs/dbraw/zinc/66/31/85/562663185.db2.gz	WMNCWFSRGSZUPP-OQAATGEHSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@H](n2cnc3c2ncnc3NC[C@@H](c2ccccc2)c2c(Cl)cccc2Cl)[C@H](O)[C@@H]1O	ZINC000048998159	562663159	/nfs/dbraw/zinc/66/31/59/562663159.db2.gz	WMNCWFSRGSZUPP-CWWWSTQVSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@H](c2ccccc2)c2c(Cl)cccc2Cl)[C@H](O)[C@@H]1O	ZINC000048998160	562663186	/nfs/dbraw/zinc/66/31/86/562663186.db2.gz	WMNCWFSRGSZUPP-BJBBDOCNSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@@H](c2ccccc2)c2c(Cl)cccc2Cl)[C@H](O)[C@@H]1O	ZINC000048998161	562663144	/nfs/dbraw/zinc/66/31/44/562663144.db2.gz	WMNCWFSRGSZUPP-HACCJFILSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@H](n2cnc3c2ncnc3NC[C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)[C@H](O)[C@@H]1O	ZINC000048999621	562663196	/nfs/dbraw/zinc/66/31/96/562663196.db2.gz	DLNBNZJTIXLVBQ-DMCJJKJGSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@H](n2cnc3c2ncnc3NC[C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)[C@H](O)[C@@H]1O	ZINC000048999623	562663239	/nfs/dbraw/zinc/66/32/39/562663239.db2.gz	DLNBNZJTIXLVBQ-FTVAOMEISA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)[C@H](O)[C@@H]1O	ZINC000048999625	562663244	/nfs/dbraw/zinc/66/32/44/562663244.db2.gz	DLNBNZJTIXLVBQ-WJXSMWEMSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)[C@H](O)[C@@H]1O	ZINC000048999627	562663224	/nfs/dbraw/zinc/66/32/24/562663224.db2.gz	DLNBNZJTIXLVBQ-XCPBYIKRSA-N	0	0	516.385	2.989	1	0		KFAFRN
OC[C@H]1O[C@H](n2ncc3c2ncnc3SC/C=C/c2ccc(OCc3ccccc3)cc2)[C@H](O)[C@@H]1O	ZINC000048999678	562663246	/nfs/dbraw/zinc/66/32/46/562663246.db2.gz	FUAXBWQLLNJDOG-HIUQXVKFSA-N	0	0	506.584	2.822	1	0		KFAFRN
OC[C@H]1O[C@@H](n2ncc3c2ncnc3SC/C=C/c2ccc(OCc3ccccc3)cc2)[C@H](O)[C@@H]1O	ZINC000048999680	562663227	/nfs/dbraw/zinc/66/32/27/562663227.db2.gz	FUAXBWQLLNJDOG-COWNORJMSA-N	0	0	506.584	2.822	1	0		KFAFRN
NS(=O)(=O)NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12	ZINC000049034438	562663522	/nfs/dbraw/zinc/66/35/22/562663522.db2.gz	NQEIZZNREHNFPA-LCMPSIMXSA-N	0	0	506.980	2.889	1	0		KFAFRN
[NH3+][C@@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034847	562663530	/nfs/dbraw/zinc/66/35/30/562663530.db2.gz	HWMSFDDABVZFCQ-HWPZZCPQSA-N	0	0	505.428	2.980	1	0		KFAFRN
[NH3+][C@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034849	562663536	/nfs/dbraw/zinc/66/35/36/562663536.db2.gz	HWMSFDDABVZFCQ-QLJPJBMISA-N	0	0	505.428	2.980	1	0		KFAFRN
[NH3+][C@@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034851	562663539	/nfs/dbraw/zinc/66/35/39/562663539.db2.gz	HWMSFDDABVZFCQ-QFYYESIMSA-N	0	0	505.428	2.980	1	0		KFAFRN
[NH3+][C@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@@H](c2cc(F)cc(F)c2F)CC1	ZINC000049034853	562663527	/nfs/dbraw/zinc/66/35/27/562663527.db2.gz	HWMSFDDABVZFCQ-MGPLVRAMSA-N	0	0	505.428	2.980	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCCN3CCOCC3)c3ccccc32)c2ccccc12	ZINC000049037655	562663656	/nfs/dbraw/zinc/66/36/56/562663656.db2.gz	IWYSYZVYXJRDME-QHCPKHFHSA-N	0	0	509.628	2.979	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCCN3CCOCC3)c3ccccc32)c2ccccc12	ZINC000049037657	562663677	/nfs/dbraw/zinc/66/36/77/562663677.db2.gz	IWYSYZVYXJRDME-HSZRJFAPSA-N	0	0	509.628	2.979	1	0		KFAFRN
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2C[C@@H]3CCCN3C2=O)CC1	ZINC000049048398	562663704	/nfs/dbraw/zinc/66/37/04/562663704.db2.gz	VHCQMBJRPZWYMB-RBBKRZOGSA-N	0	0	506.024	2.519	1	0		KFAFRN
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cccn3C2=O)CC1	ZINC000049049882	562663763	/nfs/dbraw/zinc/66/37/63/562663763.db2.gz	CQWUDWSWXJFXHG-JOCHJYFZSA-N	0	0	501.992	2.904	1	0		KFAFRN
COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1	ZINC000049072381	562664219	/nfs/dbraw/zinc/66/42/19/562664219.db2.gz	UUUFHTYILLJGPB-LADGPHEKSA-N	0	0	522.573	2.781	1	0		KFAFRN
COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1	ZINC000049072795	562664217	/nfs/dbraw/zinc/66/42/17/562664217.db2.gz	YHHBZQSSYFFPOV-LVXARBLLSA-N	0	0	508.546	2.911	1	0		KFAFRN
CC(C)OC(=O)N1CCC(COc2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nc2)CC1	ZINC000049072994	562664283	/nfs/dbraw/zinc/66/42/83/562664283.db2.gz	UTEIJJONULGZNT-UHFFFAOYSA-N	0	0	503.625	2.623	1	0		KFAFRN
NC(=O)c1cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c2c(S(N)(=O)=O)c1	ZINC000049089342	562664428	/nfs/dbraw/zinc/66/44/28/562664428.db2.gz	RWCSDVYOFAHBAO-DNVCBOLYSA-N	0	0	506.028	2.989	1	0		KFAFRN
CN1CCN(C(=O)c2cccc(-c3cc4nc(-c5cnc(N)nc5)nc(N5CCOCC5)c4s3)c2)CC1	ZINC000049089397	562664477	/nfs/dbraw/zinc/66/44/77/562664477.db2.gz	AQTJNMUVTLTNOV-UHFFFAOYSA-N	0	0	516.631	2.622	1	0		KFAFRN
CN(CCO)Cc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O	ZINC000049089517	562664416	/nfs/dbraw/zinc/66/44/16/562664416.db2.gz	VEPGFVYZLLJCTC-UHFFFAOYSA-N	0	0	523.033	2.730	1	0		KFAFRN
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2C[C@H]3CCCN3C2=O)CC1	ZINC000049110263	562664530	/nfs/dbraw/zinc/66/45/30/562664530.db2.gz	VHCQMBJRPZWYMB-IFMALSPDSA-N	0	0	506.024	2.519	1	0		KFAFRN
O=C(NCc1ccc(Cl)cc1)c1cn2c(COCCO)cc3cc(CN4CCOCC4)cc(c32)c1=O	ZINC000049112579	562664614	/nfs/dbraw/zinc/66/46/14/562664614.db2.gz	RBFXXTDMUZMUFR-UHFFFAOYSA-N	0	0	509.990	2.815	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@H]2CCCc3c(OCc4ccccc4)cccc32)[C@H](O)[C@@H]1O	ZINC000049112884	562664618	/nfs/dbraw/zinc/66/46/18/562664618.db2.gz	SGLABNZLDJBQJP-IJSNXZQXSA-N	0	0	503.559	2.506	1	0		KFAFRN
OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@@H]2CCCc3c(OCc4ccccc4)cccc32)[C@H](O)[C@@H]1O	ZINC000049112885	562664624	/nfs/dbraw/zinc/66/46/24/562664624.db2.gz	SGLABNZLDJBQJP-YYOFVJSHSA-N	0	0	503.559	2.506	1	0		KFAFRN
CC(C)OC(=O)N1CCC(COc2ccc(N3CCN(S(=O)(=O)N4CCCCC4)CC3)nc2)CC1	ZINC000049113128	562664667	/nfs/dbraw/zinc/66/46/67/562664667.db2.gz	AOLJFWZJDVEKRK-UHFFFAOYSA-N	0	0	509.673	2.570	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@@H]3N(Cc3ccccc3)C1=O)N2	ZINC000049552108	562664810	/nfs/dbraw/zinc/66/48/10/562664810.db2.gz	VMYSINMORXZBHR-AEFFLSMTSA-N	0	0	516.601	2.594	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(Cc3ccccc3)C1=O)N2	ZINC000049552109	562664776	/nfs/dbraw/zinc/66/47/76/562664776.db2.gz	VMYSINMORXZBHR-FUHWJXTLSA-N	0	0	516.601	2.594	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@@H]3N(c3ccccc3)C1=O)N2	ZINC000049553053	562664786	/nfs/dbraw/zinc/66/47/86/562664786.db2.gz	DDVXYVQWMCTNTO-WBVHZDCISA-N	0	0	502.574	2.598	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@@H]3N(c3ccccc3)C1=O)N2	ZINC000049553054	562664781	/nfs/dbraw/zinc/66/47/81/562664781.db2.gz	DDVXYVQWMCTNTO-RDJZCZTQSA-N	0	0	502.574	2.598	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@H]3N(c3ccccc3)C1=O)N2	ZINC000049553055	562664767	/nfs/dbraw/zinc/66/47/67/562664767.db2.gz	DDVXYVQWMCTNTO-NVXWUHKLSA-N	0	0	502.574	2.598	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(c3ccccc3)C1=O)N2	ZINC000049553056	562664813	/nfs/dbraw/zinc/66/48/13/562664813.db2.gz	DDVXYVQWMCTNTO-DOTOQJQBSA-N	0	0	502.574	2.598	1	0		KFAFRN
C[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1F	ZINC000049589212	562664875	/nfs/dbraw/zinc/66/48/75/562664875.db2.gz	DJIQWMWNACEYTM-XDHUDOTRSA-N	0	0	591.571	2.926	1	0		KFAFRN
CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@@H](O)Cc3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000049592806	562664932	/nfs/dbraw/zinc/66/49/32/562664932.db2.gz	POYNUVAEPVGQSP-IVVQAJGNSA-N	0	0	734.795	2.807	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N1CCCC1	ZINC000049600009	562665007	/nfs/dbraw/zinc/66/50/07/562665007.db2.gz	HOLSFSYHRMARDA-YZXAOCOMSA-N	0	0	669.868	2.694	1	0		KFAFRN
CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@H](O)Cc3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000049605908	562666396	/nfs/dbraw/zinc/66/63/96/562666396.db2.gz	POYNUVAEPVGQSP-ICKHWRRZSA-N	0	0	734.795	2.807	1	0		KFAFRN
CN(C)C(=O)CN1CCN(c2ncnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)CCO4)n2)CC1	ZINC000049625851	562666896	/nfs/dbraw/zinc/66/68/96/562666896.db2.gz	UPSYDTOSCQFRLS-NDEPHWFRSA-N	0	0	538.656	2.650	1	0		KFAFRN
CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O	ZINC000049639728	562667792	/nfs/dbraw/zinc/66/77/92/562667792.db2.gz	RSFLKWAAFPCZOO-FNNJSYLVSA-N	0	0	700.775	2.662	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@@H](C[C@@H]1C=NC=N1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)CC(C)C	ZINC000049654758	581097170	/nfs/dbraw/zinc/09/71/70/581097170.db2.gz	QZULYDKBGCTHOW-FAXBPMTLSA-N	0	0	587.762	2.777	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C[C@@H]1C=NC=N1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000049654760	581097154	/nfs/dbraw/zinc/09/71/54/581097154.db2.gz	QZULYDKBGCTHOW-LRXQMTBVSA-N	0	0	587.762	2.777	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)[C@H](C[C@@H]1C=NC=N1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)CC(C)C	ZINC000049654762	581097135	/nfs/dbraw/zinc/09/71/35/581097135.db2.gz	QZULYDKBGCTHOW-IQKWJPHWSA-N	0	0	587.762	2.777	1	0		KFAFRN
CC(C)C[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C[C@@H]1C=NC=N1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000049654764	581097034	/nfs/dbraw/zinc/09/70/34/581097034.db2.gz	QZULYDKBGCTHOW-UBMUWRQFSA-N	0	0	587.762	2.777	1	0		KFAFRN
CC1=C(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)C(=O)N([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000049670023	562668198	/nfs/dbraw/zinc/66/81/98/562668198.db2.gz	QYXKKYNZNDIXRI-UHFFFAOYSA-N	0	0	524.430	2.726	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(NCCC[NH+](C)C)cc(-c3ccccc3)n2)CC1	ZINC000049677914	562668371	/nfs/dbraw/zinc/66/83/71/562668371.db2.gz	DICIVWHRBPJFMU-DEOSSOPVSA-N	0	0	611.744	2.941	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(NC[C@@H]3CC[NH2+]C3)cc(-c3ccccc3)n2)CC1	ZINC000049678040	562668413	/nfs/dbraw/zinc/66/84/13/562668413.db2.gz	AXDIPPOKVUZQIS-VWNXMTODSA-N	0	0	609.728	2.599	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(NC[C@H]3CC[NH2+]C3)cc(-c3ccccc3)n2)CC1	ZINC000049678043	562668433	/nfs/dbraw/zinc/66/84/33/562668433.db2.gz	AXDIPPOKVUZQIS-UPVQGACJSA-N	0	0	609.728	2.599	1	0		KFAFRN
CS(=O)(=O)c1cccc(Nc2nc(NCCO)nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)n2)c1	ZINC000049678169	562668465	/nfs/dbraw/zinc/66/84/65/562668465.db2.gz	OACULOUPNYEODW-UHFFFAOYSA-N	0	0	687.791	2.736	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3c2cccc3[C@@]23c4ccccc4N[C@@H]2CN2C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]23)NC1=O	ZINC000049678597	562668603	/nfs/dbraw/zinc/66/86/03/562668603.db2.gz	CWFQAMASRDPQBB-SOTUMUBSSA-N	0	0	630.749	2.772	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[NH+](CC)CC)nc(-c3ccccc3)n2)CC1	ZINC000049678892	562668689	/nfs/dbraw/zinc/66/86/89/562668689.db2.gz	QTXCIJBNAVVGPX-DEOSSOPVSA-N	0	0	612.728	2.908	1	0		KFAFRN
CC(C)C[C@H]1CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCCCC(=O)[O-])C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)N1	ZINC000049678901	562668712	/nfs/dbraw/zinc/66/87/12/562668712.db2.gz	SFRKIIGGESNCBP-AMEOFWRWSA-N	0	0	623.795	2.935	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NC[C@@H]3CC[NH2+]C3)nc(-c3ccccc3)n2)CC1	ZINC000049679016	562668732	/nfs/dbraw/zinc/66/87/32/562668732.db2.gz	UUKHGIDCLJQJBK-VWNXMTODSA-N	0	0	609.728	2.599	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NC[C@H]3CC[NH2+]C3)nc(-c3ccccc3)n2)CC1	ZINC000049679020	562668745	/nfs/dbraw/zinc/66/87/45/562668745.db2.gz	UUKHGIDCLJQJBK-UPVQGACJSA-N	0	0	609.728	2.599	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(OCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)CC1	ZINC000049679122	562668751	/nfs/dbraw/zinc/66/87/51/562668751.db2.gz	YFKOOCNNDQIZCU-VWLOTQADSA-N	0	0	624.739	2.956	1	0		KFAFRN
CC(C)(CO)N1CCN(C(=O)OC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000049679311	562668822	/nfs/dbraw/zinc/66/88/22/562668822.db2.gz	MVDTZERXGMVEJL-FCHUYYIVSA-N	0	0	542.098	2.566	1	0		KFAFRN
Nc1cccc(Nc2nc(NCCO)nc(NCCc3cccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)c3)n2)c1	ZINC000049679405	562668886	/nfs/dbraw/zinc/66/88/86/562668886.db2.gz	HCBCVSYCAUTMEX-UHFFFAOYSA-N	0	0	624.714	2.915	1	0		KFAFRN
COc1ccc2c(c1)OCCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O	ZINC000049679464	562668871	/nfs/dbraw/zinc/66/88/71/562668871.db2.gz	MSAPNOBIEOSWMP-ODRUSHIJSA-N	0	0	590.695	2.708	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C[NH3+])CC3)n2)CC1	ZINC000049679673	562668989	/nfs/dbraw/zinc/66/89/89/562668989.db2.gz	UBUZWWOZWUDJKW-VWLOTQADSA-N	0	0	623.755	2.753	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH2+]CC3)nc(-c3ccccc3)n2)CC1	ZINC000049680001	562669073	/nfs/dbraw/zinc/66/90/73/562669073.db2.gz	JQUMWDFIPZDIAZ-DEOSSOPVSA-N	0	0	610.712	2.566	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH2+]CC3)nc(-c3ccccc3)n2)CC1	ZINC000049680063	562669102	/nfs/dbraw/zinc/66/91/02/562669102.db2.gz	HABPUKRZPQNNEK-VWLOTQADSA-N	0	0	624.739	2.956	1	0		KFAFRN
CCC(=O)CCCSC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O	ZINC000049680072	562669113	/nfs/dbraw/zinc/66/91/13/562669113.db2.gz	HECBRMPKGMWNPZ-ZHBFVTLJSA-N	0	0	585.771	2.612	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC([NH3+])CC3)nc(-c3ccccc3)n2)CC1	ZINC000049680122	562669106	/nfs/dbraw/zinc/66/91/06/562669106.db2.gz	UZOWYWURTADROI-DEOSSOPVSA-N	0	0	609.728	2.505	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH+](C)CC3)nc(-c3ccccc3)n2)CC1	ZINC000049680181	562669156	/nfs/dbraw/zinc/66/91/56/562669156.db2.gz	HSDDUUCENSVBLS-VWLOTQADSA-N	0	0	624.739	2.908	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCC[NH+](C)C)nc(-c3ccccc3)n2)CC1	ZINC000049680204	562669157	/nfs/dbraw/zinc/66/91/57/562669157.db2.gz	KTVLATPJLYVLET-DEOSSOPVSA-N	0	0	611.744	2.941	1	0		KFAFRN
Nc1cccc(Nc2nc(NCCO)nc(Nc3ccc4c(c3)CCN4c3nc(NCCO)nc(Nc4cccc(N)c4)n3)n2)c1	ZINC000049694517	562669418	/nfs/dbraw/zinc/66/94/18/562669418.db2.gz	GWUQWIQZICEGOQ-UHFFFAOYSA-N	0	0	622.698	2.954	1	0		KFAFRN
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)CC(=O)NC(=O)C2	ZINC000049694526	562669466	/nfs/dbraw/zinc/66/94/66/562669466.db2.gz	UESAQJRRXPGUFR-RHSMWYFYSA-N	0	0	530.494	2.830	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCC([NH3+])CC3)n2)CC1	ZINC000049694893	562669916	/nfs/dbraw/zinc/66/99/16/562669916.db2.gz	ZBLPMBFMCSDTSV-DEOSSOPVSA-N	0	0	609.728	2.505	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C[NH3+])CC3)nc(-c3ccccc3)n2)CC1	ZINC000049694894	562669917	/nfs/dbraw/zinc/66/99/17/562669917.db2.gz	JWSCCUYVOQHUIB-VWLOTQADSA-N	0	0	623.755	2.753	1	0		KFAFRN
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CCC(=O)NC2=O)CC1	ZINC000049694912	562669994	/nfs/dbraw/zinc/66/99/94/562669994.db2.gz	DSLGFZDFZPKEGO-RHSMWYFYSA-N	0	0	530.494	2.830	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000049695069	562670145	/nfs/dbraw/zinc/67/01/45/562670145.db2.gz	HKBRDPGBCQZFAU-YSLHKSLUSA-N	0	0	633.834	3.000	1	0		KFAFRN
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3c2ccc[n+]3[O-])CC1	ZINC000049695214	562670251	/nfs/dbraw/zinc/67/02/51/562670251.db2.gz	KGAACQRWZPEBBT-DNVCBOLYSA-N	0	0	582.530	2.925	1	0		KFAFRN
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4CCN(C)CC4)cc(=O)oc3c2C)OC1(C)C	ZINC000049695226	562670294	/nfs/dbraw/zinc/67/02/94/562670294.db2.gz	GIJXAXULAVKPEA-REEOSCTQSA-N	0	0	555.628	2.605	1	0		KFAFRN
Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)n2)c1	ZINC000049695411	562670479	/nfs/dbraw/zinc/67/04/79/562670479.db2.gz	ZZIWOXOZXQXVSP-UHFFFAOYSA-N	0	0	624.714	2.915	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000049695558	562670683	/nfs/dbraw/zinc/67/06/83/562670683.db2.gz	KQAWODOZAXIVIM-DGKNVCCWSA-N	0	0	603.741	2.857	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000049708439	562670907	/nfs/dbraw/zinc/67/09/07/562670907.db2.gz	TVLLFMVMXIPKSS-DYFQPDDQSA-N	0	0	649.833	2.753	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C	ZINC000049708441	562670901	/nfs/dbraw/zinc/67/09/01/562670901.db2.gz	PLPPAFQUTLZGQM-APNLASKRSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O	ZINC000049708443	562670917	/nfs/dbraw/zinc/67/09/17/562670917.db2.gz	HKBRDPGBCQZFAU-SEZOVNKOSA-N	0	0	633.834	3.000	1	0		KFAFRN
COc1ccc2c(c1)OCCC/C=C\CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O	ZINC000049708726	562671038	/nfs/dbraw/zinc/67/10/38/562671038.db2.gz	NYXKTTKEHKQLNH-UAZCSNRGSA-N	0	0	602.706	2.875	1	0		KFAFRN
CC[C@H](C)[C@H]1NC(=O)c2coc(n2)[C@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C)NC(=O)c2csc1n2	ZINC000049708950	562671151	/nfs/dbraw/zinc/67/11/51/562671151.db2.gz	MQIAICAGVFTAAN-ZIYJYRAWSA-N	0	0	516.624	2.779	1	0		KFAFRN
O=C1N[C@H](Cc2ccccc2)C(=O)N2C[C@H]3Nc4ccccc4[C@@]3(c3cccc4c(C[C@@H]5NC(=O)[C@@H](Cc6ccccc6)NC5=O)c[nH]c43)[C@@H]12	ZINC000049709569	562671363	/nfs/dbraw/zinc/67/13/63/562671363.db2.gz	UCJSYLQJIQOLHQ-JSMHUWDOSA-N	0	0	664.766	2.968	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC1=O	ZINC000049709686	562671418	/nfs/dbraw/zinc/67/14/18/562671418.db2.gz	BTOXMGLZFBSLND-DYFQPDDQSA-N	0	0	633.834	3.000	1	0		KFAFRN
CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C)S(=O)(=O)c1ccccc1	ZINC000049711201	562672004	/nfs/dbraw/zinc/67/20/04/562672004.db2.gz	VOBPIXUNMMSACT-ZKCUPQDXSA-N	0	0	716.946	2.648	1	0		KFAFRN
CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C)S(=O)(=O)c1ccccc1	ZINC000049711203	562672003	/nfs/dbraw/zinc/67/20/03/562672003.db2.gz	VOBPIXUNMMSACT-ITMDADDTSA-N	0	0	716.946	2.648	1	0		KFAFRN
CN(CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CC2CCC2)C(=O)C(N)=O)C3(C)C)C(C)(C)C)CCCCC1)S(=O)(=O)c1ccccc1	ZINC000049711308	562672047	/nfs/dbraw/zinc/67/20/47/562672047.db2.gz	LXWBFLFFMOZBBR-LOLMJFKOSA-N	0	0	728.957	2.936	1	0		KFAFRN
CN(CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@H](CC2CCC2)C(=O)C(N)=O)C3(C)C)C(C)(C)C)CCCCC1)S(=O)(=O)c1ccccc1	ZINC000049711311	562672101	/nfs/dbraw/zinc/67/21/01/562672101.db2.gz	LXWBFLFFMOZBBR-IMXDQWJESA-N	0	0	728.957	2.936	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3c(c2)CCO3)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000049720229	562672089	/nfs/dbraw/zinc/67/20/89/562672089.db2.gz	CFGOUUWGBUPZCL-XNJVZLJXSA-N	0	0	655.840	2.802	1	0		KFAFRN
CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C)S(=O)(=O)c1cccs1	ZINC000049722502	562672113	/nfs/dbraw/zinc/67/21/13/562672113.db2.gz	PXYMXBKGMQHCGJ-ZIEMRDOJSA-N	0	0	722.975	2.710	1	0		KFAFRN
CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C)S(=O)(=O)c1cccs1	ZINC000049722503	562672134	/nfs/dbraw/zinc/67/21/34/562672134.db2.gz	PXYMXBKGMQHCGJ-VEECKMEZSA-N	0	0	722.975	2.710	1	0		KFAFRN
CC[C@@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	ZINC000049722538	562672182	/nfs/dbraw/zinc/67/21/82/562672182.db2.gz	IUEZQKKVBTXDAH-FWTZUIKESA-N	0	0	716.946	2.648	1	0		KFAFRN
CC[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	ZINC000049722539	562672193	/nfs/dbraw/zinc/67/21/93/562672193.db2.gz	IUEZQKKVBTXDAH-AMGUZZIQSA-N	0	0	716.946	2.648	1	0		KFAFRN
Cc1cc(C(N)=O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000049722845	562672587	/nfs/dbraw/zinc/67/25/87/562672587.db2.gz	NMSIZUSNGCYUNV-BBACVFHCSA-N	0	0	689.813	2.765	1	0		KFAFRN
CO[C@@H](CO)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1	ZINC000049722868	562672657	/nfs/dbraw/zinc/67/26/57/562672657.db2.gz	OPFCROFPAHPCQD-OHDRDDBGSA-N	0	0	649.713	2.787	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000049723036	562672884	/nfs/dbraw/zinc/67/28/84/562672884.db2.gz	TVYCLFFKPNBSLP-SBKPECCZSA-N	0	0	649.833	2.632	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000049723142	562673001	/nfs/dbraw/zinc/67/30/01/562673001.db2.gz	KOONXZNSPIVCFO-AJIIGFCHSA-N	0	0	599.817	2.803	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049723279	562673130	/nfs/dbraw/zinc/67/31/30/562673130.db2.gz	KQAWODOZAXIVIM-YKRPGVLCSA-N	0	0	603.741	2.857	1	0		KFAFRN
Cc1cccc(C)c1OCC(=O)NC[C@@](O)(CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049723283	562673176	/nfs/dbraw/zinc/67/31/76/562673176.db2.gz	ZJXBBXRIQNGHSQ-WNNVWSMLSA-N	0	0	599.728	2.928	1	0		KFAFRN
Cc1cccc(C)c1OCC(=O)NC[C@](O)(CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049723284	562673144	/nfs/dbraw/zinc/67/31/44/562673144.db2.gz	ZJXBBXRIQNGHSQ-OOFOQYOKSA-N	0	0	599.728	2.928	1	0		KFAFRN
COc1ccc2nccc(N3CC[C@H](SCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1	ZINC000049723359	562673294	/nfs/dbraw/zinc/67/32/94/562673294.db2.gz	JDUNOTDHYCPVRT-HNNXBMFYSA-N	0	0	531.685	2.973	1	0		KFAFRN
COc1ccc2nccc(N3CC[C@@H](SCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1	ZINC000049723360	562673252	/nfs/dbraw/zinc/67/32/52/562673252.db2.gz	JDUNOTDHYCPVRT-OAHLLOKOSA-N	0	0	531.685	2.973	1	0		KFAFRN
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C	ZINC000049733890	562673351	/nfs/dbraw/zinc/67/33/51/562673351.db2.gz	CYBSEBPUWGAMDI-VBOOUTDYSA-N	0	0	560.651	2.919	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)N(C)CC3CC3)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049745630	562674024	/nfs/dbraw/zinc/67/40/24/562674024.db2.gz	ITNWJAKVNYCGML-HSGWZQNQSA-N	0	0	720.978	2.690	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)N(C)C3CCC3)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049745636	562674006	/nfs/dbraw/zinc/67/40/06/562674006.db2.gz	GHMDIAKOTMEXFI-HSGWZQNQSA-N	0	0	720.978	2.833	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[NH2+]CC3)cc(-c3ccccc3)n2)CC1	ZINC000049745660	562674038	/nfs/dbraw/zinc/67/40/38/562674038.db2.gz	WZOHFILVIRDUOS-VWLOTQADSA-N	0	0	594.713	2.592	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)N(CC)C3CC3)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049745736	562674074	/nfs/dbraw/zinc/67/40/74/562674074.db2.gz	MUJMEXYSOQWIGR-HSGWZQNQSA-N	0	0	720.978	2.833	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[NH+](CCOC)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049745843	562674118	/nfs/dbraw/zinc/67/41/18/562674118.db2.gz	NPYHYPXFIXQVKJ-NDEPHWFRSA-N	0	0	652.793	2.951	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC([NH2+]C)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049745885	562674095	/nfs/dbraw/zinc/67/40/95/562674095.db2.gz	ONQHMEYJZIJCNS-SANMLTNESA-N	0	0	608.740	2.981	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)N(C)C(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049745961	562674168	/nfs/dbraw/zinc/67/41/68/562674168.db2.gz	OBNXIKIBKYNSFL-LFGITCQGSA-N	0	0	708.967	2.689	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC([NH+](C)C)C3)cc(-c3ccccc3)n2)CC1	ZINC000049746196	562674310	/nfs/dbraw/zinc/67/43/10/562674310.db2.gz	ZXCVLPMEPXGCLK-SANMLTNESA-N	0	0	608.740	2.933	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(O)cc1)CC(=O)[O-]	ZINC000049746225	562674358	/nfs/dbraw/zinc/67/43/58/562674358.db2.gz	NWIWQPJELYDZQJ-SZJUTTIESA-N	0	0	548.640	2.554	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]C1CCCCC1)CC(=O)[O-]	ZINC000049746367	562674386	/nfs/dbraw/zinc/67/43/86/562674386.db2.gz	FQZLVFLHUHELAJ-YLORPAJWSA-N	0	0	524.662	2.981	1	0		KFAFRN
CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[NH3+])cc(-c3ccccc3)n2)CC1	ZINC000049746393	562674400	/nfs/dbraw/zinc/67/44/00/562674400.db2.gz	HPCOVPCWCCFECE-DEOSSOPVSA-N	0	0	583.686	2.910	1	0		KFAFRN
Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2cn(CCCNC(=O)c3ccc(F)nc3)c3cc(CNc4[nH]cc[nH+]4)ccc3c2=O)C(=O)[O-])c(C)c1	ZINC000049746665	562674556	/nfs/dbraw/zinc/67/45/56/562674556.db2.gz	RMWGNQHVNZGMPM-HHHXNRCGSA-N	0	0	732.795	2.778	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[NH+](C)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049746750	562674587	/nfs/dbraw/zinc/67/45/87/562674587.db2.gz	OTMHMOLFLJRVHH-SANMLTNESA-N	0	0	608.740	2.935	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)CC(=O)[O-]	ZINC000049746806	562674568	/nfs/dbraw/zinc/67/45/68/562674568.db2.gz	IWFCJEWGFKFPGV-LLIYUYTPSA-N	0	0	576.650	2.577	1	0		KFAFRN
O=S(=O)(NC1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F	ZINC000049746818	562674652	/nfs/dbraw/zinc/67/46/52/562674652.db2.gz	UXNPRYKJQXSNLA-UHFFFAOYSA-N	0	0	656.690	2.850	1	0		KFAFRN
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)CSC1(C)C	ZINC000049746870	562674620	/nfs/dbraw/zinc/67/46/20/562674620.db2.gz	FAPAYWLCASVUFX-QEPABPODSA-N	0	0	597.734	2.751	1	0		KFAFRN
COc1ccc(CNC(=O)[C@H]2N(C(=O)[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)CSC2(C)C)c(C)c1	ZINC000049746964	562674693	/nfs/dbraw/zinc/67/46/93/562674693.db2.gz	HCNMRTPCSYEDHP-NNLACLLQSA-N	0	0	627.760	2.760	1	0		KFAFRN
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3ccccc3S(C)(=O)=O)N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000049756049	562674804	/nfs/dbraw/zinc/67/48/04/562674804.db2.gz	KKLWOJSLYYMENS-ATILKMQGSA-N	0	0	692.813	2.998	1	0		KFAFRN
Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3ccccc3S(C)(=O)=O)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000049756051	562674832	/nfs/dbraw/zinc/67/48/32/562674832.db2.gz	KKLWOJSLYYMENS-MDQGVCTMSA-N	0	0	692.813	2.998	1	0		KFAFRN
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3ccccc3S(C)(=O)=O)N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O	ZINC000049756053	562674826	/nfs/dbraw/zinc/67/48/26/562674826.db2.gz	KKLWOJSLYYMENS-OKEQGEBHSA-N	0	0	692.813	2.998	1	0		KFAFRN
Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCOc3ccccc3S(C)(=O)=O)N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000049756055	562674818	/nfs/dbraw/zinc/67/48/18/562674818.db2.gz	KKLWOJSLYYMENS-WSOLHVCVSA-N	0	0	692.813	2.998	1	0		KFAFRN
CN(C)C(=O)c1c2cc(Cl)ccc2[nH]c1C(=O)N[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)c1nc2c(s1)CN(C)CC2	ZINC000049756202	562674920	/nfs/dbraw/zinc/67/49/20/562674920.db2.gz	WCOFJANBYJEZLV-PAXLWEDBSA-N	0	0	614.172	2.753	1	0		KFAFRN
O=C(NCc1cccc(F)c1)[C@H]1S[C@@H](n2cnc3c2ncnc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000049756823	562675266	/nfs/dbraw/zinc/67/52/66/562675266.db2.gz	ALSUSYMBSRYCBR-CMCWBKRRSA-N	0	0	620.448	2.834	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(O[C@@H]3CC[NH2+]C3)cc(-c3ccccc3)n2)CC1	ZINC000049756963	562675351	/nfs/dbraw/zinc/67/53/51/562675351.db2.gz	VOYFORYMAZPQDL-VWNXMTODSA-N	0	0	581.670	2.533	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(O[C@H]3CC[NH2+]C3)cc(-c3ccccc3)n2)CC1	ZINC000049756964	562675359	/nfs/dbraw/zinc/67/53/59/562675359.db2.gz	VOYFORYMAZPQDL-UPVQGACJSA-N	0	0	581.670	2.533	1	0		KFAFRN
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	562675484	/nfs/dbraw/zinc/67/54/84/562675484.db2.gz	RBLQKXJCWRMIHN-UJLGHMMASA-N	0	0	596.541	2.867	1	0		KFAFRN
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	562675480	/nfs/dbraw/zinc/67/54/80/562675480.db2.gz	RBLQKXJCWRMIHN-WBWZXODPSA-N	0	0	596.541	2.867	1	0		KFAFRN
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	562675437	/nfs/dbraw/zinc/67/54/37/562675437.db2.gz	RBLQKXJCWRMIHN-OQTWNIQDSA-N	0	0	596.541	2.867	1	0		KFAFRN
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	562675482	/nfs/dbraw/zinc/67/54/82/562675482.db2.gz	RBLQKXJCWRMIHN-IUFAUYNMSA-N	0	0	596.541	2.867	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(O[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)CC1	ZINC000049757135	562675623	/nfs/dbraw/zinc/67/56/23/562675623.db2.gz	FFZHYNVVWWUWQW-NOZRDPDXSA-N	0	0	595.697	2.924	1	0		KFAFRN
CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(O[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)CC1	ZINC000049757136	562675629	/nfs/dbraw/zinc/67/56/29/562675629.db2.gz	FFZHYNVVWWUWQW-ZCYQVOJMSA-N	0	0	595.697	2.924	1	0		KFAFRN
O=C(NC1CCCCC1)[C@H]1S[C@@H](n2cnc3c2ncnc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000049757283	562675843	/nfs/dbraw/zinc/67/58/43/562675843.db2.gz	FUTWOFGXMKHZAR-QPXQOZNCSA-N	0	0	594.479	2.828	1	0		KFAFRN
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ncc3cc(Cl)ccc3n2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000049757364	562675958	/nfs/dbraw/zinc/67/59/58/562675958.db2.gz	CYEYXDKPFTXXAG-ADLFWFRXSA-N	0	0	556.092	2.513	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccccc1F)CC(=O)[O-]	ZINC000049757534	562676076	/nfs/dbraw/zinc/67/60/76/562676076.db2.gz	BKUADPGKPZDACY-SZJUTTIESA-N	0	0	550.631	2.987	1	0		KFAFRN
O=C(NCCc1ccccc1)[C@H]1S[C@@H](n2cnc3c2ncnc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000049761810	562676159	/nfs/dbraw/zinc/67/61/59/562676159.db2.gz	FYTVXEJOTPDERA-UGCAPWQASA-N	0	0	616.485	2.738	1	0		KFAFRN
COc1ccccc1CNC(=O)[C@H]1S[C@@H](n2cnc3c2ncnc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000049761975	562676260	/nfs/dbraw/zinc/67/62/60/562676260.db2.gz	XZHWBHKPQYDPGX-UGCAPWQASA-N	0	0	632.484	2.704	1	0		KFAFRN
O=C(CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1	ZINC000049762026	562676310	/nfs/dbraw/zinc/67/63/10/562676310.db2.gz	ONDIIUHCASRYCA-UPVQGACJSA-N	0	0	544.616	2.688	1	0		KFAFRN
O=C(CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1	ZINC000049762028	562676297	/nfs/dbraw/zinc/67/62/97/562676297.db2.gz	ONDIIUHCASRYCA-LADGPHEKSA-N	0	0	544.616	2.688	1	0		KFAFRN
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=Cc3ccc(Cl)cc3OC2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000049762040	562676324	/nfs/dbraw/zinc/67/63/24/562676324.db2.gz	BRGHULUVIQNSDA-NBHGPNQESA-N	0	0	558.104	2.732	1	0		KFAFRN
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3nn2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000049762136	562676346	/nfs/dbraw/zinc/67/63/46/562676346.db2.gz	PNQXOEXOFLZKCD-RIFZZMRRSA-N	0	0	556.092	2.513	1	0		KFAFRN
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C=O)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000049762212	562676400	/nfs/dbraw/zinc/67/64/00/562676400.db2.gz	CFKFDPIYKGDUPV-ONTRVFCTSA-N	0	0	571.103	2.864	1	0		KFAFRN
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccccc1)CC(=O)[O-]	ZINC000049762438	562676584	/nfs/dbraw/zinc/67/65/84/562676584.db2.gz	QAVBBYAGLRFROJ-OICBGKIFSA-N	0	0	532.641	2.848	1	0		KFAFRN
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOCOC2)CSC1(C)C	ZINC000049762450	562676582	/nfs/dbraw/zinc/67/65/82/562676582.db2.gz	ZIUJFUBOGSQITE-KEVKATSASA-N	0	0	585.723	2.753	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC[NH3+])cc(-c3ccccc3)n2)CC1	ZINC000049762925	562676768	/nfs/dbraw/zinc/67/67/68/562676768.db2.gz	YIJRFMUGGKKPBJ-QHCPKHFHSA-N	0	0	569.659	2.520	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(CC[NH+](C)C)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049763035	562676801	/nfs/dbraw/zinc/67/68/01/562676801.db2.gz	QVDUATIHFXFZOX-LJAQVGFWSA-N	0	0	665.836	2.866	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1([C@@H]3CCN(C4CC4)S3(=O)=O)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049763044	562676808	/nfs/dbraw/zinc/67/68/08/562676808.db2.gz	VZHPTHFRNBNZST-XOXYJGNXSA-N	0	0	718.962	2.585	1	0		KFAFRN
CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)N(C)C3CC3)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049763047	562676809	/nfs/dbraw/zinc/67/68/09/562676809.db2.gz	OONBAHISEFJPMC-HSGWZQNQSA-N	0	0	720.978	2.833	1	0		KFAFRN
CN(C1CC1)S(=O)(=O)CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CCC2CC2)C(=O)C(=O)NC2CC2)C3(C)C)C(C)(C)C)CCCCC1	ZINC000049763049	562676830	/nfs/dbraw/zinc/67/68/30/562676830.db2.gz	KNUBMPGBZFKFKF-LOLMJFKOSA-N	0	0	732.989	2.833	1	0		KFAFRN
CCc1cn([C@H]2C[C@@H](n3cnc4c3nc(NCCc3cn(CC)cn3)nc4NCC(CC)CC)[C@H](O)[C@@H]2O)nn1	ZINC000049763181	562676849	/nfs/dbraw/zinc/67/68/49/562676849.db2.gz	XUFSLOHWIRUYOK-AWAHEQQVSA-N	0	0	551.700	2.607	1	0		KFAFRN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC(C[NH2+]C)C3)cc(-c3ccccc3)n2)CC1	ZINC000049763232	562676891	/nfs/dbraw/zinc/67/68/91/562676891.db2.gz	QDHDKGDIAHGFIS-SANMLTNESA-N	0	0	608.740	2.838	1	0		KFAFRN
CC(=O)OC[C@]12C[C@H]3O[C@@]4(O)[C@@H](O[C@H](C)C[C@@]45NC(=O)CS5)O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12CO	ZINC000049765450	562676966	/nfs/dbraw/zinc/67/69/66/562676966.db2.gz	RDNGUWVMQKQRAB-ZMSWLOBGSA-N	0	0	661.814	2.811	1	0		KFAFRN
CC(=O)OC[C@]12C[C@H]3O[C@]4(O)[C@@H](O[C@H](C)C[C@@]45NC(=O)CS5)O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12CO	ZINC000049765452	562676941	/nfs/dbraw/zinc/67/69/41/562676941.db2.gz	RDNGUWVMQKQRAB-WHRUQXEZSA-N	0	0	661.814	2.811	1	0		KFAFRN
NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3cccnc3N3CCOCC3)cc1-2	ZINC000049766335	562676997	/nfs/dbraw/zinc/67/69/97/562676997.db2.gz	CAQFGELJFOQHOV-UHFFFAOYSA-N	0	0	538.564	2.949	1	0		KFAFRN
CCCS(=O)(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1	ZINC000049766413	562677039	/nfs/dbraw/zinc/67/70/39/562677039.db2.gz	FIZOTIFFXLGOFA-DEOSSOPVSA-N	0	0	558.701	2.853	1	0		KFAFRN
CN1CCN(c2ncccc2C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc4c(c2)OCO4)CC3)CC1	ZINC000049766624	562677109	/nfs/dbraw/zinc/67/71/09/562677109.db2.gz	OEPDBYUBFMZPNU-UHFFFAOYSA-N	0	0	551.607	2.865	1	0		KFAFRN
CNC(=O)Nc1ccc(-c2nc3cc(CN4CCN(S(C)(=O)=O)CC4)sc3c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1	ZINC000049766729	562677194	/nfs/dbraw/zinc/67/71/94/562677194.db2.gz	XUYPPKAYBHIWJO-BGYRXZFFSA-N	0	0	571.729	2.554	1	0		KFAFRN
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)CSC1(C)C	ZINC000049767330	562677540	/nfs/dbraw/zinc/67/75/40/562677540.db2.gz	QGDRAFOSPSFLSF-OJJQZRKESA-N	0	0	555.697	2.779	1	0		KFAFRN
COc1ccccc1C[NH2+]C[C@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C	ZINC000049767815	562677747	/nfs/dbraw/zinc/67/77/47/562677747.db2.gz	CJTOCGFALOWPMY-ATZAZFCXSA-N	0	0	562.667	2.857	1	0		KFAFRN
O[C@H]1[C@@H](c2ccon2)O[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H]1O	ZINC000049771126	562677944	/nfs/dbraw/zinc/67/79/44/562677944.db2.gz	BBYMTSRJCMVUJS-BASYENTBSA-N	0	0	554.732	2.676	1	0		KFAFRN
CCCSC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O	ZINC000049771310	562678069	/nfs/dbraw/zinc/67/80/69/562678069.db2.gz	XVFAAMYENHFFLZ-WVSUBDOOSA-N	0	0	541.415	2.805	1	0		KFAFRN
N[C@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O	ZINC000049771414	562678134	/nfs/dbraw/zinc/67/81/34/562678134.db2.gz	RXFVXQPXNUGRRD-NTDXCCSUSA-N	0	0	545.217	2.838	1	0		KFAFRN
N[C@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O	ZINC000049771415	562678144	/nfs/dbraw/zinc/67/81/44/562678144.db2.gz	RXFVXQPXNUGRRD-PYJZQUQOSA-N	0	0	545.217	2.838	1	0		KFAFRN
NC(=O)Cn1cnc2c1c(I)c(I)c(I)c2I	ZINC000049771516	562678169	/nfs/dbraw/zinc/67/81/69/562678169.db2.gz	WNBKCSMMRRRDDC-UHFFFAOYSA-N	0	0	678.775	2.940	1	0		KFAFRN
Cc1ccc(Cn2cc(CCNc3ncnc4c3ncn4[C@H]3O[C@H](C(=O)NC4CC4)[C@@H](O)[C@H]3O)c3ccccc32)cc1	ZINC000049771653	562678257	/nfs/dbraw/zinc/67/82/57/562678257.db2.gz	LSAKNJKESGUSBE-ALBQUZEBSA-N	0	0	567.650	2.690	1	0		KFAFRN
COc1ccc(C[C@H](N)C(=O)OC[C@H]2O[C@@H](n3c(Br)nc4cc(Cl)c(Cl)cc43)[C@H](O)[C@@H]2O)cc1	ZINC000049771740	562678405	/nfs/dbraw/zinc/67/84/05/562678405.db2.gz	VHOWWPZZVHRKBE-MLCHDBGUSA-N	0	0	575.243	2.847	1	0		KFAFRN
COc1ccc(C[C@H](N)C(=O)OC[C@H]2O[C@H](n3c(Br)nc4cc(Cl)c(Cl)cc43)[C@H](O)[C@@H]2O)cc1	ZINC000049771741	562678381	/nfs/dbraw/zinc/67/83/81/562678381.db2.gz	VHOWWPZZVHRKBE-ZNLXNUBKSA-N	0	0	575.243	2.847	1	0		KFAFRN
Cc1ccccc1Cn1cc(CCNc2ncnc3c2ncn3[C@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21	ZINC000049771916	562678449	/nfs/dbraw/zinc/67/84/49/562678449.db2.gz	WBPQPPNWGRXBKK-ALBQUZEBSA-N	0	0	567.650	2.690	1	0		KFAFRN
Cc1ccccc1Cn1cc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c2ccccc21	ZINC000049771917	562678452	/nfs/dbraw/zinc/67/84/52/562678452.db2.gz	WBPQPPNWGRXBKK-OVDFTCDZSA-N	0	0	567.650	2.690	1	0		KFAFRN
C[C@@H]1C[C@@]2(N=C(N)CS2)[C@@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1	ZINC000049772026	562678567	/nfs/dbraw/zinc/67/85/67/562678567.db2.gz	IENLQPVYLUUMKB-YZZPAOTKSA-N	0	0	616.777	2.688	1	0		KFAFRN
C[C@@H]1C[C@@]2(N=C(N)CS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1	ZINC000049772027	562678546	/nfs/dbraw/zinc/67/85/46/562678546.db2.gz	IENLQPVYLUUMKB-DMHYMSEJSA-N	0	0	616.777	2.688	1	0		KFAFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)[C@H](O)[C@@H]1O	ZINC000049774451	562678632	/nfs/dbraw/zinc/67/86/32/562678632.db2.gz	TWGYEMOAIDUCGV-CKXMCULTSA-N	0	0	668.821	2.532	1	0		KFAFRN
CCNC(=O)[C@H]1O[C@H](n2cnc3c2ncnc3NCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)[C@H](O)[C@@H]1O	ZINC000049774454	562678644	/nfs/dbraw/zinc/67/86/44/562678644.db2.gz	TWGYEMOAIDUCGV-WPQKMFINSA-N	0	0	668.821	2.532	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)C(N)=O	ZINC000049774850	562678767	/nfs/dbraw/zinc/67/87/67/562678767.db2.gz	XTTPUPYGIJOUTH-GSDHBNRESA-N	0	0	552.716	2.663	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(CC(F)(F)F)C1=O)N2	ZINC000049774960	562678840	/nfs/dbraw/zinc/67/88/40/562678840.db2.gz	YZZVHZKVGWWYBD-WZNFMNEHSA-N	0	0	548.565	2.592	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(F)cc1)C(N)=O	ZINC000049775397	562679024	/nfs/dbraw/zinc/67/90/24/562679024.db2.gz	QNCYXOKIKIFSRV-BEVWYORLSA-N	0	0	568.690	2.883	1	0		KFAFRN
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CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cn(C)cn3)CCN2)c1	ZINC000049783890	562683309	/nfs/dbraw/zinc/68/33/09/562683309.db2.gz	RJPKZFOLDCVSNL-LXQNXJGFSA-N	0	0	660.788	2.634	1	0		KFAFRN
CCCC[C@H](NC(=O)[C@@H]1[C@H]2[C@@H](CN1C(=O)[C@@H](NC(=O)NC1([C@H]3CCCS3(=O)=O)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1	ZINC000049783908	562683286	/nfs/dbraw/zinc/68/32/86/562683286.db2.gz	WMQMETWCNVQHFL-KQMASJFLSA-N	0	0	691.936	2.986	1	0		KFAFRN
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COC(=O)[C@]1(CO)NC(=O)C(C)(C)[C@@]1(O)CCCCCc1cc(CNC(=O)C(C)(C)[C@H](O)CCCCc2ccccc2)on1	ZINC000049784280	562683535	/nfs/dbraw/zinc/68/35/35/562683535.db2.gz	QPGDBGIEYRGQAR-DJDPXSJISA-N	0	0	615.768	2.985	1	0		KFAFRN
COC(=O)[C@]1(CO)NC(=O)C(C)(C)[C@@]1(O)CCCCCc1cc(CNC(=O)C(C)(C)[C@@H](O)CCCCc2ccccc2)on1	ZINC000049784281	562683530	/nfs/dbraw/zinc/68/35/30/562683530.db2.gz	QPGDBGIEYRGQAR-GNRMPWKPSA-N	0	0	615.768	2.985	1	0		KFAFRN
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CC(C)[C@](C)(NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)OCc1ccccc1	ZINC000049841178	562688086	/nfs/dbraw/zinc/68/80/86/562688086.db2.gz	HYAYFPPTVVBRQB-MHTLATCUSA-N	0	0	653.821	2.681	1	0		KFAFRN
CC(C)[C@](C)(NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)OCc1ccccc1	ZINC000049841179	562688073	/nfs/dbraw/zinc/68/80/73/562688073.db2.gz	HYAYFPPTVVBRQB-URVWMCPNSA-N	0	0	653.821	2.681	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)N[C@H](C(=O)c1ccccn1)C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049841507	562688443	/nfs/dbraw/zinc/68/84/43/562688443.db2.gz	NHGDVAMHIFLHJZ-OIZJVZDXSA-N	0	0	650.821	2.749	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)N[C@H](C(=O)c1ccccn1)C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049841508	562688451	/nfs/dbraw/zinc/68/84/51/562688451.db2.gz	NHGDVAMHIFLHJZ-FIEIWVPVSA-N	0	0	650.821	2.749	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](CC(C)C)C(=O)OCCCn3cc(F)c(=O)[nH]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000049841518	562688453	/nfs/dbraw/zinc/68/84/53/562688453.db2.gz	RXPQADPLXSBRHR-YUDWXHTHSA-N	0	0	683.686	2.741	1	0		KFAFRN
COC[C@H]1CCCN1C(=O)c1cc(OC)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)c1	ZINC000049844725	562688550	/nfs/dbraw/zinc/68/85/50/562688550.db2.gz	JDWZGDGLKJPHMC-DNUNIWOASA-N	0	0	650.723	2.927	1	0		KFAFRN
CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)NC(C)(C)C)C(=O)N2C[C@@H]3[C@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1	ZINC000049844727	562688560	/nfs/dbraw/zinc/68/85/60/562688560.db2.gz	MFLYVBSEKPNJNJ-KAWOEGEVSA-N	0	0	751.970	2.966	1	0		KFAFRN
O=C(CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)c1nc2ccccc2[nH]1	ZINC000049850513	562688709	/nfs/dbraw/zinc/68/87/09/562688709.db2.gz	UJOVYAYFFSBJBJ-SVBPBHIXSA-N	0	0	609.643	2.556	1	0		KFAFRN
Cc1cc(N)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049850825	562688788	/nfs/dbraw/zinc/68/87/88/562688788.db2.gz	ABHNHNZCHPWXFW-RIQJEONASA-N	0	0	646.810	2.807	1	0	in-vivo	KFAFRN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1	ZINC000049853420	562688845	/nfs/dbraw/zinc/68/88/45/562688845.db2.gz	BLEKHENMFCIHBA-LMSSTIIKSA-N	0	0	611.751	2.559	1	0		KFAFRN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(OC)c(OC)c(OC)c2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1	ZINC000049853467	562688951	/nfs/dbraw/zinc/68/89/51/562688951.db2.gz	OWEQRTRVPQJODG-YZNIXAGQSA-N	0	0	671.803	2.576	1	0		KFAFRN
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1	ZINC000049853473	562688917	/nfs/dbraw/zinc/68/89/17/562688917.db2.gz	SCAIPMVBSKFBQW-PXJZQJOASA-N	0	0	595.752	2.859	1	0		KFAFRN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1	ZINC000049853478	562688946	/nfs/dbraw/zinc/68/89/46/562688946.db2.gz	BLEKHENMFCIHBA-YTMVLYRLSA-N	0	0	611.751	2.559	1	0		KFAFRN
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1	ZINC000049853479	562688908	/nfs/dbraw/zinc/68/89/08/562688908.db2.gz	BLEKHENMFCIHBA-PXJZQJOASA-N	0	0	611.751	2.559	1	0		KFAFRN
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1	ZINC000049853492	562688904	/nfs/dbraw/zinc/68/89/04/562688904.db2.gz	BLEKHENMFCIHBA-XRKRLSELSA-N	0	0	611.751	2.559	1	0		KFAFRN
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H]1CN(C(N)=O)CC1=O	ZINC000049867296	562689412	/nfs/dbraw/zinc/68/94/12/562689412.db2.gz	BICGHGZQCPOZEX-VWPQPMDRSA-N	0	0	586.608	2.905	1	0		KFAFRN
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H]1CN(C(N)=O)CC1=O	ZINC000049867299	562689411	/nfs/dbraw/zinc/68/94/11/562689411.db2.gz	BICGHGZQCPOZEX-ONTIZHBOSA-N	0	0	586.608	2.905	1	0		KFAFRN
CCN(C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1cccnc1Cl	ZINC000049867582	562689581	/nfs/dbraw/zinc/68/95/81/562689581.db2.gz	VGOQOXOCBIQISP-NRFANRHFSA-N	0	0	528.894	2.828	1	0		KFAFRN
CCN(C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1cccnc1Cl	ZINC000049867584	562689573	/nfs/dbraw/zinc/68/95/73/562689573.db2.gz	VGOQOXOCBIQISP-OAQYLSRUSA-N	0	0	528.894	2.828	1	0		KFAFRN
CCOC(=O)c1sc(N)nc1-c1ccc(P(=O)(N[C@@H](CC)C(=O)OCC)N[C@@H](CC)C(=O)OCC)o1	ZINC000049867757	562689679	/nfs/dbraw/zinc/68/96/79/562689679.db2.gz	LJMWHQOCMIYHDG-KBPBESRZSA-N	0	0	544.567	2.843	1	0		KFAFRN
CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CCOCC3)s1)n2CCC(N)=O	ZINC000049867782	562689671	/nfs/dbraw/zinc/68/96/71/562689671.db2.gz	OGGVVKWMWABYPJ-UHFFFAOYSA-N	0	0	532.626	3.339	1	0		KFAFRN
Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)c(C)s1	ZINC000049872019	562689683	/nfs/dbraw/zinc/68/96/83/562689683.db2.gz	AZMMWXVEVKAJAZ-VMEVFOJOSA-N	0	0	697.924	2.734	1	0		KFAFRN
C[C@H](NC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C	ZINC000049872087	562689765	/nfs/dbraw/zinc/68/97/65/562689765.db2.gz	KNWYXKACVOBABE-WLFRDLTRSA-N	0	0	547.586	2.666	1	0		KFAFRN
CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)nc2c1=O	ZINC000049872227	562689881	/nfs/dbraw/zinc/68/98/81/562689881.db2.gz	XGGZNUZGXSDCLP-UHFFFAOYSA-N	0	0	543.049	2.650	1	0		KFAFRN
CCOc1ccccc1N1CCN(CCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1	ZINC000049872253	562689867	/nfs/dbraw/zinc/68/98/67/562689867.db2.gz	CJDLQKMQNDUVLF-UHFFFAOYSA-N	0	0	541.052	2.673	1	0		KFAFRN
CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)c1ccccc1	ZINC000049872278	562689891	/nfs/dbraw/zinc/68/98/91/562689891.db2.gz	GDMFHVAWBYMLCR-NIBHENIISA-N	0	0	540.569	2.968	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](O)C[C@@H](C)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O	ZINC000049872484	562690073	/nfs/dbraw/zinc/69/00/73/562690073.db2.gz	PBYYDTQGTBZJGB-OKPVOZINSA-N	0	0	532.586	2.593	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(CCC(=O)N[C@@H](C)C(=O)OC(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O	ZINC000049877599	562690206	/nfs/dbraw/zinc/69/02/06/562690206.db2.gz	SOKQEWLFBSIHLR-DAHXOYAVSA-N	0	0	591.554	2.812	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(CCC(=O)N[C@@H](C)C(=O)OC(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O	ZINC000049877602	562690194	/nfs/dbraw/zinc/69/01/94/562690194.db2.gz	SOKQEWLFBSIHLR-NNNFCFPXSA-N	0	0	591.554	2.812	1	0		KFAFRN
CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1=O	ZINC000049877703	562690239	/nfs/dbraw/zinc/69/02/39/562690239.db2.gz	PGUVAKMIEAFDEA-UHFFFAOYSA-N	0	0	562.574	2.625	1	0	in-vivo	KFAFRN
C/C=C(\C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)(CC[C@H]4CCOC4=O)[C@H](C)C(=O)[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2	ZINC000049878584	562690703	/nfs/dbraw/zinc/69/07/03/562690703.db2.gz	XPNLIYQPQIVGHM-IDWAQZLJSA-N	0	0	504.576	2.886	1	0		KFAFRN
COC(=O)CC[C@@H]1[C@@](CO)([C@@H](C)O)[C@@H](O)[C@@H](O)[C@@H]2[C@@]3(C)CC[C@@]4(C)CC=C(C)C[C@@]4(O)[C@]3(C(=O)OC)CC[C@@]12C	ZINC000049878669	562690712	/nfs/dbraw/zinc/69/07/12/562690712.db2.gz	RBKYLTMXHKKOOD-ISGLCVLNSA-N	0	0	566.732	2.504	1	0		KFAFRN
CCC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000049881501	562690870	/nfs/dbraw/zinc/69/08/70/562690870.db2.gz	LLXAAKCFCCZZLC-FORVDKSSSA-N	0	0	502.648	2.984	1	0		KFAFRN
O=C(Cn1ccnc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000049881517	562690896	/nfs/dbraw/zinc/69/08/96/562690896.db2.gz	UEBXCNMAUOGYOC-UHFFFAOYSA-N	0	0	556.588	2.704	1	0		KFAFRN
CCNC(=O)OC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1)C(C)(C)C	ZINC000049881845	562691195	/nfs/dbraw/zinc/69/11/95/562691195.db2.gz	OPZQKERXQPTGIJ-KHHRQSBUSA-N	0	0	660.857	2.608	1	0		KFAFRN
CCNC(=O)OC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1)C(C)(C)C	ZINC000049881846	562691208	/nfs/dbraw/zinc/69/12/08/562691208.db2.gz	OPZQKERXQPTGIJ-HGJFOVQVSA-N	0	0	660.857	2.608	1	0		KFAFRN
O=C(CNC(=O)C1CCCCC1)NCC(=O)Nc1ccc(Oc2cccc(NC(=O)CNC(=O)CNC(=O)C3CCCCC3)c2)cc1	ZINC000049888694	562691373	/nfs/dbraw/zinc/69/13/73/562691373.db2.gz	JZEBPKDHQCZAHY-UHFFFAOYSA-N	0	0	648.761	2.981	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)OCc1ccccc1	ZINC000049888828	562691519	/nfs/dbraw/zinc/69/15/19/562691519.db2.gz	NQHDPDIXUQHQPW-JRQWNXCRSA-N	0	0	653.821	2.681	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)OCc1ccccc1	ZINC000049888829	562691507	/nfs/dbraw/zinc/69/15/07/562691507.db2.gz	NQHDPDIXUQHQPW-QNLCIIDDSA-N	0	0	653.821	2.681	1	0		KFAFRN
COc1cccc(OC)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049888897	562691553	/nfs/dbraw/zinc/69/15/53/562691553.db2.gz	UXPUZKDVSUQPJT-GBHWDNFXSA-N	0	0	663.793	2.626	1	0	in-vivo	KFAFRN
CC(=O)OC[C@H]1O[C@@H](N2c3ccccc3/C(=C3\C(=O)Nc4ccc(I)cc43)C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000049888928	562691595	/nfs/dbraw/zinc/69/15/95/562691595.db2.gz	RSKMYNFMFQSIHA-RTHCJLLDSA-N	0	0	718.453	2.584	1	0		KFAFRN
Cc1cc(O)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049889029	562691711	/nfs/dbraw/zinc/69/17/11/562691711.db2.gz	RFANRLZGSPNNFF-RIQJEONASA-N	0	0	647.794	2.931	1	0	in-vivo	KFAFRN
CC(C)(C)[C@H](NC(=O)NC1(C(=O)OCc2ccco2)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049889102	562691783	/nfs/dbraw/zinc/69/17/83/562691783.db2.gz	JUEHCCQQWAHGOO-MDLKPKIOSA-N	0	0	655.793	2.562	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)NC1(C(=O)OCc2ccco2)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049889103	562691763	/nfs/dbraw/zinc/69/17/63/562691763.db2.gz	JUEHCCQQWAHGOO-AOYLRGCGSA-N	0	0	655.793	2.562	1	0		KFAFRN
CC(C)NC(=O)OC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1)C(C)(C)C	ZINC000049889180	562691870	/nfs/dbraw/zinc/69/18/70/562691870.db2.gz	ZHPQUXAANQIXHO-BSEVETGLSA-N	0	0	708.901	2.831	1	0		KFAFRN
CC(C)NC(=O)OC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1)C(C)(C)C	ZINC000049889181	562691871	/nfs/dbraw/zinc/69/18/71/562691871.db2.gz	ZHPQUXAANQIXHO-HPSFBBAHSA-N	0	0	708.901	2.831	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)NC1(C(=O)OCc2ccoc2)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049889194	562691853	/nfs/dbraw/zinc/69/18/53/562691853.db2.gz	NTGSMRJKZLHYLH-MDLKPKIOSA-N	0	0	655.793	2.562	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)NC1(C(=O)OCc2ccoc2)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049889195	562691856	/nfs/dbraw/zinc/69/18/56/562691856.db2.gz	NTGSMRJKZLHYLH-AOYLRGCGSA-N	0	0	655.793	2.562	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)NC1(C(=O)OCc2ccccc2)CCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049889332	562691987	/nfs/dbraw/zinc/69/19/87/562691987.db2.gz	OMJPXLMBMLSINJ-HOMAGXEVSA-N	0	0	651.805	2.579	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)NC1(C(=O)OCc2ccccc2)CCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C	ZINC000049889333	562691992	/nfs/dbraw/zinc/69/19/92/562691992.db2.gz	OMJPXLMBMLSINJ-LRDHLHFSSA-N	0	0	651.805	2.579	1	0		KFAFRN
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CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2ncc[nH]2)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000049938019	562695041	/nfs/dbraw/zinc/69/50/41/562695041.db2.gz	UEAZPKFQGWSWFW-DJTBQIKZSA-N	0	0	672.757	2.824	1	0		KFAFRN
COC[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(-c2ccc(N(C)C)cc2)o1	ZINC000049938022	562695050	/nfs/dbraw/zinc/69/50/50/562695050.db2.gz	ZKAAZFFFHXVVKM-AWCRTANDSA-N	0	0	741.912	2.855	1	0		KFAFRN
CC[C@@H](C)[C@H]1C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H]([C@H](C)CC)C(=O)O[C@H](C)C(=O)N(C)[C@@H](C)C(=O)O[C@H](C)C(=O)N1C	ZINC000049942318	562695456	/nfs/dbraw/zinc/69/54/56/562695456.db2.gz	VHLCRKLQUSOHIP-QYTVVGNXSA-N	0	0	631.767	2.611	1	0		KFAFRN
CO[C@@H]1C[C@@H](C)O[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@@H](OC(C)=O)C[C@]56O)[C@@]4(C)C[C@H]3O[C@@]12O	ZINC000049942646	562695589	/nfs/dbraw/zinc/69/55/89/562695589.db2.gz	CTLHRQFAFGUEQH-HAVIGHGVSA-N	0	0	588.694	2.938	1	0	in-vitro	KFAFRN
CC(=O)OC[C@@]12C[C@H]3C(=O)C(C)(C)[C@H](O)[C@H]3[C@]1(C)[C@@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@H](C)[C@H](OCc3ccccc3)[C@@H]1[C@H]2OC(C)=O	ZINC000049946811	562695610	/nfs/dbraw/zinc/69/56/10/562695610.db2.gz	VLNJSWWAVCSPBA-MHFRFDRMSA-N	0	0	658.741	2.539	1	0		KFAFRN
CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3[C@@H](O)[C@]2(OC3(C)C)[C@@](C)(O)[C@H]1O	ZINC000049952175	562695726	/nfs/dbraw/zinc/69/57/26/562695726.db2.gz	FVTRWXQLJLCVKD-SYVWDLHCSA-N	0	0	594.657	2.829	1	0		KFAFRN
Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCCCc1nc(C)c(CCCCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O	ZINC000053014151	562696086	/nfs/dbraw/zinc/69/60/86/562696086.db2.gz	UJIOBODRTCVNNE-XZWHSSHBSA-N	0	0	634.822	2.741	1	0		KFAFRN
CC[C@H]1CC(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cc1	ZINC000053119654	562696233	/nfs/dbraw/zinc/69/62/33/562696233.db2.gz	GOKCBBJQDMIWKP-INIZCTEOSA-N	0	0	522.580	2.733	1	0	in-vitro	KFAFRN
CC[C@@H]1CC(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cc1	ZINC000053122825	562696258	/nfs/dbraw/zinc/69/62/58/562696258.db2.gz	GOKCBBJQDMIWKP-MRXNPFEDSA-N	0	0	522.580	2.733	1	0		KFAFRN
C[C@@]1(Cc2ccc(F)cc2)CN(C2CC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000053122839	562696256	/nfs/dbraw/zinc/69/62/56/562696256.db2.gz	NPTPZGKFAOSIDM-XMMPIXPASA-N	0	0	548.618	2.776	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)N(Cc3ccc(F)cc3)CC3(CCC3)C1=O)N2	ZINC000053122840	562696223	/nfs/dbraw/zinc/69/62/23/562696223.db2.gz	GQPRONKBQGYUPV-UHFFFAOYSA-N	0	0	534.591	2.735	1	0		KFAFRN
CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccccc2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1	ZINC000053193570	562696418	/nfs/dbraw/zinc/69/64/18/562696418.db2.gz	QFAQRJXURJPCDB-VWLOTQADSA-N	0	0	532.601	2.945	1	0		KFAFRN
CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1	ZINC000053193571	562696413	/nfs/dbraw/zinc/69/64/13/562696413.db2.gz	QFAQRJXURJPCDB-RUZDIDTESA-N	0	0	532.601	2.945	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053224415	562696545	/nfs/dbraw/zinc/69/65/45/562696545.db2.gz	DEKOYVOWOVJMPM-ZUVUYASXSA-N	0	0	560.629	2.979	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3cccs3)C1=O)N2	ZINC000053224456	562696534	/nfs/dbraw/zinc/69/65/34/562696534.db2.gz	WTSVHDJJSNXQBI-ZLSUJJLUSA-N	0	0	548.668	2.902	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccco3)C1=O)N2	ZINC000053224460	562696551	/nfs/dbraw/zinc/69/65/51/562696551.db2.gz	PVFFZQNCVNKELP-NPWGZZIZSA-N	0	0	546.627	2.823	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccccc3)C1=O)N2	ZINC000053227582	562696589	/nfs/dbraw/zinc/69/65/89/562696589.db2.gz	CGICVSPHGZIQRP-LZWBKRQXSA-N	0	0	542.639	2.840	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]([C@@H]4CC[C@H]3C4)N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053227583	562696598	/nfs/dbraw/zinc/69/65/98/562696598.db2.gz	DEKOYVOWOVJMPM-GDZMOAKWSA-N	0	0	560.629	2.979	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053227589	562696604	/nfs/dbraw/zinc/69/66/04/562696604.db2.gz	DEKOYVOWOVJMPM-SVBQBFEESA-N	0	0	560.629	2.979	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3ccccc3F)C1=O)N2	ZINC000053227594	562696612	/nfs/dbraw/zinc/69/66/12/562696612.db2.gz	PHCMHFWVDCKJFZ-NUGMEJGNSA-N	0	0	560.629	2.979	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3ccccc3)C1=O)N2	ZINC000053227595	562696582	/nfs/dbraw/zinc/69/65/82/562696582.db2.gz	CGICVSPHGZIQRP-HRSBRNJNSA-N	0	0	542.639	2.840	1	0		KFAFRN
CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC/C=C/C(=O)OC)C1=O	ZINC000053229212	562696668	/nfs/dbraw/zinc/69/66/68/562696668.db2.gz	BQBDSIQQCULIEV-RCJYHZQCSA-N	0	0	520.586	2.611	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@H](n2cc(/C=C/c4ccccc4)nn2)C3)OC1(C)C	ZINC000053230149	562696691	/nfs/dbraw/zinc/69/66/91/562696691.db2.gz	GNPCDSXNQOXKQP-IPKTXFLNSA-N	0	0	521.570	2.710	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@@H](n2cc(/C=C/c4ccccc4)nn2)C3)OC1(C)C	ZINC000053230152	562696716	/nfs/dbraw/zinc/69/67/16/562696716.db2.gz	GNPCDSXNQOXKQP-UPBHYRCSSA-N	0	0	521.570	2.710	1	0		KFAFRN
COc1cc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)ccc1F	ZINC000053239297	562696730	/nfs/dbraw/zinc/69/67/30/562696730.db2.gz	MWXLRRALVCATBT-DENVIXNGSA-N	0	0	590.655	2.988	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccccc3F)C1=O)N2	ZINC000053239342	562696752	/nfs/dbraw/zinc/69/67/52/562696752.db2.gz	PHCMHFWVDCKJFZ-VQXITPLLSA-N	0	0	560.629	2.979	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3cccc(F)c3)C1=O)N2	ZINC000053239361	562696761	/nfs/dbraw/zinc/69/67/61/562696761.db2.gz	VWALFMROYLNDFV-ZUVUYASXSA-N	0	0	560.629	2.979	1	0		KFAFRN
OCC12C3N(Cc4ccncc4)C4C(CO)(C5N(Cc6ccncc6)C1C3(CO)C(c1ccccc1)C45CO)C2c1ccccc1	ZINC000053242997	562696737	/nfs/dbraw/zinc/69/67/37/562696737.db2.gz	VEWDWCBRPRQXFX-UHFFFAOYSA-N	0	0	616.762	2.806	1	0		KFAFRN
OCC12C3N(Cc4ccccc4)C4C(CO)(C5N(Cc6ccccc6)C1C3(CO)C(c1ccncc1)C45CO)C2c1ccncc1	ZINC000053242999	562696723	/nfs/dbraw/zinc/69/67/23/562696723.db2.gz	YALWBIOBEFUAGF-UHFFFAOYSA-N	0	0	616.762	2.806	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@H](n2cc(-c4ccc(C)cc4)nn2)C3)OC1(C)C	ZINC000053243630	562696869	/nfs/dbraw/zinc/69/68/69/562696869.db2.gz	NWYLYBAXLYPVIN-CFFNNJMWSA-N	0	0	509.559	2.515	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@@H](n2cc(-c4ccc(C)cc4)nn2)C3)OC1(C)C	ZINC000053243632	562696859	/nfs/dbraw/zinc/69/68/59/562696859.db2.gz	NWYLYBAXLYPVIN-MPBDTFJISA-N	0	0	509.559	2.515	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3cccs3)C1=O)N2	ZINC000053246936	562696882	/nfs/dbraw/zinc/69/68/82/562696882.db2.gz	WTSVHDJJSNXQBI-YNXJIDDESA-N	0	0	548.668	2.902	1	0		KFAFRN
COc1cccc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)c1	ZINC000053271273	562697020	/nfs/dbraw/zinc/69/70/20/562697020.db2.gz	WGNYQVZRHRCFBV-JMJIWTKESA-N	0	0	572.665	2.849	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CC=CC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053271349	562697041	/nfs/dbraw/zinc/69/70/41/562697041.db2.gz	KFQUZDWAYHYDQM-MJGOQNOKSA-N	0	0	546.602	2.899	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CC=CC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053271350	562696988	/nfs/dbraw/zinc/69/69/88/562696988.db2.gz	KFQUZDWAYHYDQM-HKUYNNGSSA-N	0	0	546.602	2.899	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CC=CC[C@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053271351	562696995	/nfs/dbraw/zinc/69/69/95/562696995.db2.gz	KFQUZDWAYHYDQM-IEBWSBKVSA-N	0	0	546.602	2.899	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CC=CC[C@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053271352	562697016	/nfs/dbraw/zinc/69/70/16/562697016.db2.gz	KFQUZDWAYHYDQM-PKOBYXMFSA-N	0	0	546.602	2.899	1	0		KFAFRN
CCc1c2c(nc3ccc(OCCCn4cncn4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000053276586	562697102	/nfs/dbraw/zinc/69/71/02/562697102.db2.gz	MYNOMSOJAHMITD-MHZLTWQESA-N	0	0	501.543	2.703	1	0		KFAFRN
Cn1cc(S(C)(=O)=O)cc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C)c2=O	ZINC000053281643	562697145	/nfs/dbraw/zinc/69/71/45/562697145.db2.gz	OSQRJYUHXPRSRK-UHFFFAOYSA-N	0	0	553.044	2.966	1	0		KFAFRN
Cn1cc(S(C)(=O)=O)cc1-c1c2c(nn1Cc1c[nH]c3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C)c2=O	ZINC000053281658	562697161	/nfs/dbraw/zinc/69/71/61/562697161.db2.gz	HTZVGKTYPBVWTE-UHFFFAOYSA-N	0	0	541.033	2.899	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@H](n2cc(-c4c[nH]c5ccccc54)nn2)C3)OC1(C)C	ZINC000053293355	562697166	/nfs/dbraw/zinc/69/71/66/562697166.db2.gz	LBWKSJQIOBVQJT-FTUQWSQFSA-N	0	0	534.569	2.688	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@@H](n2cc(-c4c[nH]c5ccccc54)nn2)C3)OC1(C)C	ZINC000053293358	562697169	/nfs/dbraw/zinc/69/71/69/562697169.db2.gz	LBWKSJQIOBVQJT-ZJVJWSQXSA-N	0	0	534.569	2.688	1	0		KFAFRN
CCS[C@@H]1[C@@H](Cn2cc(-c3ccc(OC)cc3)nn2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H]1SCC	ZINC000053293762	562697214	/nfs/dbraw/zinc/69/72/14/562697214.db2.gz	GJBUZFWWEZNRGC-NXLVEIQXSA-N	0	0	503.650	2.953	1	0		KFAFRN
OCC12C3N(Cc4cccnc4)C4C(CO)(C5N(Cc6cccnc6)C1C3(CO)C(c1ccccc1)C45CO)C2c1ccccc1	ZINC000053297288	562697432	/nfs/dbraw/zinc/69/74/32/562697432.db2.gz	YFTLLYHUTJPNHZ-UHFFFAOYSA-N	0	0	616.762	2.806	1	0		KFAFRN
C[C@H](CCC(=O)NN1CCN(C)CC1)[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	ZINC000053312657	562697570	/nfs/dbraw/zinc/69/75/70/562697570.db2.gz	LDIKZIIZCDFTRY-JSAKOLFCSA-N	0	0	505.744	2.643	1	0		KFAFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCCn4cnc5cncnc54)cc2cc1C3	ZINC000053312714	562697546	/nfs/dbraw/zinc/69/75/46/562697546.db2.gz	WYNBXAOZDUHTJM-NDEPHWFRSA-N	0	0	524.537	2.688	1	0		KFAFRN
CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NC)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC	ZINC000053313863	562697642	/nfs/dbraw/zinc/69/76/42/562697642.db2.gz	QGONEYUXXNZCRN-KBPBESRZSA-N	0	0	538.563	2.686	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053685061	562697721	/nfs/dbraw/zinc/69/77/21/562697721.db2.gz	PAEBVIJMNXTTAT-AEFFLSMTSA-N	0	0	534.591	2.733	1	0	in-vitro	KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@H]3N(Cc3cccc(F)c3)C1=O)N2	ZINC000053685063	562697715	/nfs/dbraw/zinc/69/77/15/562697715.db2.gz	SOPYUPQZPXJCLM-SJLPKXTDSA-N	0	0	534.591	2.733	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053685065	562697723	/nfs/dbraw/zinc/69/77/23/562697723.db2.gz	PAEBVIJMNXTTAT-FUHWJXTLSA-N	0	0	534.591	2.733	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000053685082	562697696	/nfs/dbraw/zinc/69/76/96/562697696.db2.gz	PAEBVIJMNXTTAT-WMZOPIPTSA-N	0	0	534.591	2.733	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)O	ZINC000058468449	562697953	/nfs/dbraw/zinc/69/79/53/562697953.db2.gz	VILRWWYXEPUNIH-BIWDTKMGSA-N	0	0	630.595	2.713	1	0		KFAFRN
CC[C@@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	ZINC000058482503	562698062	/nfs/dbraw/zinc/69/80/62/562698062.db2.gz	IUEZQKKVBTXDAH-UBLMZDNWSA-N	0	0	716.946	2.648	1	0		KFAFRN
O=C(Cc1ccsc1)N[C@@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000058487276	562698129	/nfs/dbraw/zinc/69/81/29/562698129.db2.gz	AXHAIZKISBVMFT-DNQXCXABSA-N	0	0	513.685	2.733	1	0		KFAFRN
COc1ccccc1C(=O)N[C@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000058506506	562698371	/nfs/dbraw/zinc/69/83/71/562698371.db2.gz	INTVKZYCKYKZJV-BJKOFHAPSA-N	0	0	523.655	2.751	1	0		KFAFRN
CC(C)N1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1	ZINC000058507728	562698392	/nfs/dbraw/zinc/69/83/92/562698392.db2.gz	CMOYEJVVBMGXBB-NRFANRHFSA-N	0	0	562.117	2.717	1	0		KFAFRN
COc1ccc([C@](Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccc(C(N)=O)cc2)cc1	ZINC000058519449	562698515	/nfs/dbraw/zinc/69/85/15/562698515.db2.gz	VYIYKVPGNNFWNO-YEHIPITKSA-N	0	0	617.613	2.806	1	0		KFAFRN
CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CN(C)CC2	ZINC000058519656	562698499	/nfs/dbraw/zinc/69/84/99/562698499.db2.gz	GGTXGRWUWSFTKQ-NRFANRHFSA-N	0	0	562.117	2.541	1	0		KFAFRN
Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1	ZINC000058534378	562698672	/nfs/dbraw/zinc/69/86/72/562698672.db2.gz	COFCEFPKUHNRLY-SYKYGTKKSA-N	0	0	739.867	2.839	1	0		KFAFRN
CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C	ZINC000058538167	562698756	/nfs/dbraw/zinc/69/87/56/562698756.db2.gz	XGBCUCRRKXJGDK-UHFFFAOYSA-N	0	0	538.486	2.818	1	0		KFAFRN
CNC(=O)N[C@@H]1CC[C@H](NC(=O)c2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1	ZINC000058538596	562698853	/nfs/dbraw/zinc/69/88/53/562698853.db2.gz	MDZATLTZIQXOBU-CZAAIQMYSA-N	0	0	580.633	2.504	1	0		KFAFRN
[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH2+]Cc1ccccc1)C(=O)[O-]	ZINC000058540790	562698850	/nfs/dbraw/zinc/69/88/50/562698850.db2.gz	DUFCSNMDSADLDA-AWCRTANDSA-N	0	0	558.679	2.745	1	0		KFAFRN
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCc1cn(CCCO)nn1	ZINC000058541736	562698997	/nfs/dbraw/zinc/69/89/97/562698997.db2.gz	UXRQKQKSBDBADQ-UHFFFAOYSA-N	0	0	533.412	2.658	1	0		KFAFRN
Cc1c(O)cccc1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C	ZINC000058542760	562698962	/nfs/dbraw/zinc/69/89/62/562698962.db2.gz	CGFVYUGIPISJQG-YMPZKCBVSA-N	0	0	527.687	2.997	1	0		KFAFRN
CC(C)[C@@H]1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)[C@H](C(=O)[O-])C1	ZINC000058549346	562699156	/nfs/dbraw/zinc/69/91/56/562699156.db2.gz	BBZTWYQGLNKTPI-XGRCMKMKSA-N	0	0	552.097	2.542	1	0		KFAFRN
CC(=O)CCCC(=O)N[C@@H]1N=C(C)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O	ZINC000058550275	562699198	/nfs/dbraw/zinc/69/91/98/562699198.db2.gz	AKLZJTDTARMCIF-LVXARBLLSA-N	0	0	574.465	2.563	1	0		KFAFRN
COC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058576009	562699690	/nfs/dbraw/zinc/69/96/90/562699690.db2.gz	PDKKUZJALFQAFX-IRXDYDNUSA-N	0	0	513.913	2.917	1	0		KFAFRN
[NH3+][C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1nc2ccccc2[nH]1	ZINC000058576111	562699667	/nfs/dbraw/zinc/69/96/67/562699667.db2.gz	VHQDQWVFVCXFSZ-TUSQITKMSA-N	0	0	563.561	2.702	1	0		KFAFRN
COc1cc(Nc2nccc(N3CC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)n2)cc(OC)c1OC	ZINC000058576568	562699713	/nfs/dbraw/zinc/69/97/13/562699713.db2.gz	FCMKTDGGEKMIFE-KSFYIVLOSA-N	0	0	507.547	2.781	1	0		KFAFRN
CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CC1	ZINC000058582006	562699897	/nfs/dbraw/zinc/69/98/97/562699897.db2.gz	FTHKKKKNTGUTPA-IBGZPJMESA-N	0	0	501.465	2.940	1	0		KFAFRN
COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1Cl	ZINC000058583481	562700133	/nfs/dbraw/zinc/70/01/33/562700133.db2.gz	UMGKBNNIXDCAIE-ROUUACIJSA-N	0	0	563.007	2.723	1	0		KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2c(F)cc(-n3ccccc3=O)cc2F)C1	ZINC000058583906	562700200	/nfs/dbraw/zinc/70/02/00/562700200.db2.gz	HLQVMGNKJQBYOU-ROUUACIJSA-N	0	0	550.971	2.854	1	0		KFAFRN
Cc1cc(-n2ccccc2=O)ccc1NC(=O)[C@H]1CN(S(C)(=O)=O)C[C@@H]1C(=O)Nc1ccc(Cl)cc1	ZINC000058584020	562700225	/nfs/dbraw/zinc/70/02/25/562700225.db2.gz	PSIRUHYHRKZHRX-SFTDATJTSA-N	0	0	529.018	2.884	1	0		KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058590849	562700373	/nfs/dbraw/zinc/70/03/73/562700373.db2.gz	XRNMSDIWHHURFN-IRXDYDNUSA-N	0	0	550.971	2.854	1	0	in-vitro	KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058591017	562700431	/nfs/dbraw/zinc/70/04/31/562700431.db2.gz	UCWMRADCFYBXOK-PMACEKPBSA-N	0	0	537.573	2.543	1	0		KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2F)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058591770	562700510	/nfs/dbraw/zinc/70/05/10/562700510.db2.gz	BRMRTBQANKTOAH-IRXDYDNUSA-N	0	0	550.971	2.854	1	0		KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058592090	562700545	/nfs/dbraw/zinc/70/05/45/562700545.db2.gz	SHNQCKIJTHWVIB-OALUTQOASA-N	0	0	582.532	2.960	1	0		KFAFRN
CN(C)S(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1	ZINC000058592235	562700556	/nfs/dbraw/zinc/70/05/56/562700556.db2.gz	CRBVLNZIEMEQKL-PMACEKPBSA-N	0	0	562.023	2.562	1	0		KFAFRN
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)nc1	ZINC000058592642	562700639	/nfs/dbraw/zinc/70/06/39/562700639.db2.gz	DNNWQTGLEBYPRK-SFTDATJTSA-N	0	0	577.084	2.890	1	0		KFAFRN
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2)C1	ZINC000058592674	562700628	/nfs/dbraw/zinc/70/06/28/562700628.db2.gz	RJAKIXGRCTZXDV-SFTDATJTSA-N	0	0	514.991	2.576	1	0		KFAFRN
Cc1cc(Nc2cc(N3CC[NH+](CC(=O)[O-])CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1	ZINC000058604117	562700922	/nfs/dbraw/zinc/70/09/22/562700922.db2.gz	ZUUBTSMKRJJHNT-UHFFFAOYSA-N	0	0	508.608	2.958	1	0		KFAFRN
CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1CNC(=O)c1ccccc1	ZINC000058614530	562701058	/nfs/dbraw/zinc/70/10/58/562701058.db2.gz	TYIREKPLERMDCV-HXUWFJFHSA-N	0	0	518.437	2.753	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000058623217	562701137	/nfs/dbraw/zinc/70/11/37/562701137.db2.gz	GTFAKIPDKMDOBK-QTTVSLRWSA-N	0	0	693.890	2.836	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3O[C@@H]4OCC[C@@H]4[C@@H]23)cc1	ZINC000058631450	562701188	/nfs/dbraw/zinc/70/11/88/562701188.db2.gz	QWMNYFXRFHGYGS-DDGGWZRMSA-N	0	0	604.722	2.774	1	0	in-vitro	KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2O)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000058638736	562701161	/nfs/dbraw/zinc/70/11/61/562701161.db2.gz	ACRHTKSQCOUKAC-LBGGBARHSA-N	0	0	625.700	2.881	1	0	in-vitro	KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000058648953	562701243	/nfs/dbraw/zinc/70/12/43/562701243.db2.gz	WRKKDKVSSULHSU-BNLMIAIYSA-N	0	0	735.931	2.553	1	0		KFAFRN
CCCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3OC)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21	ZINC000058650056	562701290	/nfs/dbraw/zinc/70/12/90/562701290.db2.gz	YETVNKZUGVEWHF-BIWDTKMGSA-N	0	0	630.595	2.715	1	0		KFAFRN
CC[C@@H]1COCCN1N1C(=O)N(N2CCOC[C@H]2CC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1	ZINC000058651078	562701319	/nfs/dbraw/zinc/70/13/19/562701319.db2.gz	ZRAFSXGKKWLNKT-PUNYWJAESA-N	0	0	552.716	2.720	1	0		KFAFRN
CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C(F)(F)F)n3)c2)o1)C(C)(C)O	ZINC000058655672	562701405	/nfs/dbraw/zinc/70/14/05/562701405.db2.gz	ZWZXMJHBQVILJV-HXUWFJFHSA-N	0	0	518.492	2.906	1	0		KFAFRN
CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CCOCC1	ZINC000058660524	562701414	/nfs/dbraw/zinc/70/14/14/562701414.db2.gz	FUTAWINRXHDAMN-NRFANRHFSA-N	0	0	545.518	2.956	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](N2C=N[C@@H]3C(=N)NC=N[C@H]32)C1)Oc1cccc(C(F)(F)F)c1	ZINC000058685530	562701530	/nfs/dbraw/zinc/70/15/30/562701530.db2.gz	DAYULILXPHVHAC-DDXZDNJBSA-N	0	0	542.455	2.742	1	0		KFAFRN
C[C@H]([NH3+])[P@](=O)([O-])C[C@@H](CSCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000058692985	562701571	/nfs/dbraw/zinc/70/15/71/562701571.db2.gz	RHOVUJYSXPHHFW-GTCCEBARSA-N	0	0	502.577	2.805	1	0		KFAFRN
CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1C(=O)C=C(OC)[C@@H]1C)N(C)C	ZINC000059086764	562701715	/nfs/dbraw/zinc/70/17/15/562701715.db2.gz	ASRBKZHDORPEHO-KYJIWOQOSA-N	0	0	592.778	2.800	1	0		KFAFRN
CC1(C)CN(Cc2ccc(F)cc2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000059115275	562701726	/nfs/dbraw/zinc/70/17/26/562701726.db2.gz	VHEMZSSBCBTSST-UHFFFAOYSA-N	0	0	522.580	2.591	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCC[C@@H](CO)NC1=O	ZINC000059183297	562701826	/nfs/dbraw/zinc/70/18/26/562701826.db2.gz	UEXBOYUXSYIPKL-HVCNVCAESA-N	0	0	511.619	2.705	1	0		KFAFRN
CN1CCN(CCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1	ZINC000059258869	562701913	/nfs/dbraw/zinc/70/19/13/562701913.db2.gz	LCQUSJOCGWZBHQ-UHFFFAOYSA-N	0	0	522.052	2.933	1	0		KFAFRN
C[C@H]1COCCN1c1nc2nc(-c3ccc(OC(F)F)c(C(N)=O)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000059258966	562701924	/nfs/dbraw/zinc/70/19/24/562701924.db2.gz	MAKSGVGZIUMEQH-GJZGRUSLSA-N	0	0	514.533	2.842	1	0		KFAFRN
O=c1[nH]nc2[nH]c(CN3CCCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)nc3cccc1c32	ZINC000059277939	562701946	/nfs/dbraw/zinc/70/19/46/562701946.db2.gz	UOMKEYFSXGXYAR-UHFFFAOYSA-N	0	0	506.510	2.715	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)C[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C2\CCOC2=O)C[C@@H]2CCNC2=O)C(C)C)no1	ZINC000059402138	562702005	/nfs/dbraw/zinc/70/20/05/562702005.db2.gz	CALKYRSEXBYKAI-ILGFIILKSA-N	0	0	596.656	2.579	1	0		KFAFRN
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	565116163	/nfs/dbraw/zinc/11/61/63/565116163.db2.gz	CJSBAQYZHSTGQK-DMICRVJYSA-N	0	0	606.580	2.626	1	0	biogenic,in-vitro	KFAFRN
O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(CN2CCOCC2)C1	ZINC000060325344	562702664	/nfs/dbraw/zinc/70/26/64/562702664.db2.gz	RWVYUXIOUYZPHM-UHFFFAOYSA-N	0	0	547.315	2.971	1	0		KFAFRN
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000060326576	562702653	/nfs/dbraw/zinc/70/26/53/562702653.db2.gz	RIQJPKNJKQYDOF-ZDUSSCGKSA-N	0	0	504.506	2.868	1	0		KFAFRN
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000060326577	562702659	/nfs/dbraw/zinc/70/26/59/562702659.db2.gz	RIQJPKNJKQYDOF-CYBMUJFWSA-N	0	0	504.506	2.868	1	0		KFAFRN
NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc21	ZINC000063540125	562704529	/nfs/dbraw/zinc/70/45/29/562704529.db2.gz	OQSVYNYDHYYKJX-UHFFFAOYSA-N	0	0	505.556	2.602	1	0		KFAFRN
O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c1nc(Cl)nc2NCc1cccc(I)c1	ZINC000064415728	562704990	/nfs/dbraw/zinc/70/49/90/562704990.db2.gz	HEYKDSRQXAECCF-MBNYWOFBSA-N	0	0	517.780	2.534	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(N)c2)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000064446888	562705282	/nfs/dbraw/zinc/70/52/82/562705282.db2.gz	JSWAUXZZOOWLHH-HFASVGIHSA-N	0	0	624.716	2.758	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cccc2ccccc21	ZINC000064447774	562705448	/nfs/dbraw/zinc/70/54/48/562705448.db2.gz	KUPUOQIRQZUZBN-INNZTRFRSA-N	0	0	515.459	2.807	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)S(=O)(=O)c1ccc(CO)cc1	ZINC000064448558	562705531	/nfs/dbraw/zinc/70/55/31/562705531.db2.gz	KNSOPCJWGSGBNJ-NHKHRBQYSA-N	0	0	595.718	2.939	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2O)C(=O)O1)S(=O)(=O)c1ccc(N)cc1	ZINC000064448764	562705575	/nfs/dbraw/zinc/70/55/75/562705575.db2.gz	BHZVXGQKLUTAIX-VCTRFXNDSA-N	0	0	596.706	2.735	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O	ZINC000064490565	562705889	/nfs/dbraw/zinc/70/58/89/562705889.db2.gz	VHPLWQFLSOKQMK-CNXZJCAJSA-N	0	0	624.827	2.942	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1C	ZINC000064490585	562705900	/nfs/dbraw/zinc/70/59/00/562705900.db2.gz	SKJPHLFOLFHWJO-JKFQQTEHSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O	ZINC000064490595	562705930	/nfs/dbraw/zinc/70/59/30/562705930.db2.gz	SKJPHLFOLFHWJO-MASCHLQQSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC1=O	ZINC000064490596	562705911	/nfs/dbraw/zinc/70/59/11/562705911.db2.gz	DAMOXZONANUINN-IEAFHPEVSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000064490639	562705888	/nfs/dbraw/zinc/70/58/88/562705888.db2.gz	RGRFYESSWNXSNX-VFHRMQJUSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000064490667	562705934	/nfs/dbraw/zinc/70/59/34/562705934.db2.gz	LXSLYZPVFFYIPD-VFHRMQJUSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC1=O	ZINC000064490686	562705903	/nfs/dbraw/zinc/70/59/03/562705903.db2.gz	LXSLYZPVFFYIPD-IXSXPGEMSA-N	0	0	599.817	2.803	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000064490716	562705901	/nfs/dbraw/zinc/70/59/01/562705901.db2.gz	GYBIEUKVACOKPM-QBHLCAJUSA-N	0	0	619.807	2.658	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C/[C@@H](C)[C@H]3C=C[C@H](O)[C@@H](COC(=O)C/C=C/[C@H]2C)O3)cc1	ZINC000064490897	562705942	/nfs/dbraw/zinc/70/59/42/562705942.db2.gz	CKGNPKQTHORKOH-GNWWHFGTSA-N	0	0	533.643	2.591	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000064491715	562705952	/nfs/dbraw/zinc/70/59/52/562705952.db2.gz	UMAUKCPAMUSHJU-WQOITCGXSA-N	0	0	619.807	2.658	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000064491716	562705982	/nfs/dbraw/zinc/70/59/82/562705982.db2.gz	UMAUKCPAMUSHJU-MYSYHGOYSA-N	0	0	619.807	2.658	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000064491738	562705940	/nfs/dbraw/zinc/70/59/40/562705940.db2.gz	RGRFYESSWNXSNX-IEAFHPEVSA-N	0	0	599.817	2.803	1	0		KFAFRN
CCOC(=O)[C@H](N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1)C(C)C	ZINC000064491770	562705941	/nfs/dbraw/zinc/70/59/41/562705941.db2.gz	KWQOGUBQLGBTRL-VVWMOISTSA-N	0	0	507.480	2.680	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O	ZINC000064499106	562706030	/nfs/dbraw/zinc/70/60/30/562706030.db2.gz	SKJPHLFOLFHWJO-XLIKFSOKSA-N	0	0	599.817	2.803	1	0		KFAFRN
C/C(=C\c1cc(F)c(OCCCF)cc1F)C(=O)N[C@H]1[C@@H](O)[C@@H]2OCO[C@@H]2[C@H](O)[C@H]1OCc1ccccc1	ZINC000064503547	562706060	/nfs/dbraw/zinc/70/60/60/562706060.db2.gz	CWNMXEQVCGYIKD-QKHRJVETSA-N	0	0	537.531	2.654	1	0		KFAFRN
O=C(OC1([C@H]2COC[C@@H](CC3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC2(CC(=O)N2)CC1	ZINC000064503683	562706075	/nfs/dbraw/zinc/70/60/75/562706075.db2.gz	ZTSMFALKIKFNQE-TZIWHRDSSA-N	0	0	538.066	2.922	1	0		KFAFRN
COc1cccc(C(=O)O[C@H]2C=CC(=O)N3C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@H]23)c1	ZINC000064504009	562706093	/nfs/dbraw/zinc/70/60/93/562706093.db2.gz	MARIUGOIQMFGPP-QYQUYBGJSA-N	0	0	570.598	2.835	1	0		KFAFRN
C/C(=C\c1cc(F)c(OCCCF)cc1F)C(=O)N[C@H]1[C@@H](OCc2ccccc2)[C@@H]2OCO[C@@H]2[C@H](O)[C@H]1O	ZINC000064512719	562706261	/nfs/dbraw/zinc/70/62/61/562706261.db2.gz	AUCOKKLEWSYBET-VWXWZYNGSA-N	0	0	537.531	2.654	1	0		KFAFRN
CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)O	ZINC000064512984	562706296	/nfs/dbraw/zinc/70/62/96/562706296.db2.gz	LUSYJFDJBQBWIM-AIGMYPEUSA-N	0	0	517.626	2.999	1	0		KFAFRN
Cc1cc(C(C)(C)c2ccc(OC[C@H](O)CN3CCOCC3)c(C)c2)ccc1OC[C@H](O)CN1CCOCC1	ZINC000064513305	562706356	/nfs/dbraw/zinc/70/63/56/562706356.db2.gz	WKRDRHHPTCROSQ-VSGBNLITSA-N	0	0	542.717	2.773	1	0		KFAFRN
Cc1cc(C(C)(C)c2ccc(OC[C@@H](O)CN3CCOCC3)c(C)c2)ccc1OC[C@H](O)CN1CCOCC1	ZINC000064513307	562706399	/nfs/dbraw/zinc/70/63/99/562706399.db2.gz	WKRDRHHPTCROSQ-HNRBIFIRSA-N	0	0	542.717	2.773	1	0		KFAFRN
Cc1cc(C(C)(C)c2ccc(OC[C@@H](O)CN3CCOCC3)c(C)c2)ccc1OC[C@@H](O)CN1CCOCC1	ZINC000064513311	562706353	/nfs/dbraw/zinc/70/63/53/562706353.db2.gz	WKRDRHHPTCROSQ-NSOVKSMOSA-N	0	0	542.717	2.773	1	0		KFAFRN
Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)C(=O)c2c[nH]c3ccccc23)[C@@H](C)O)cc1	ZINC000064514082	562706538	/nfs/dbraw/zinc/70/65/38/562706538.db2.gz	MMJVQIJNXZGUKV-MHWRTBLVSA-N	0	0	554.647	2.959	1	0		KFAFRN
O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC2(CN(S(=O)(=O)C(F)(F)F)C2)CC1	ZINC000064526929	562706714	/nfs/dbraw/zinc/70/67/14/562706714.db2.gz	FVGRTMVTEUAEQW-UHFFFAOYSA-N	0	0	595.618	2.954	1	0		KFAFRN
C[C@@H]1CN(C(=O)OC2([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)N1CCO	ZINC000064527288	562706792	/nfs/dbraw/zinc/70/67/92/562706792.db2.gz	LKJNOKVJAZHRAT-OMXLDXBASA-N	0	0	556.125	2.954	1	0		KFAFRN
CC(C)(C)[C@@H]1COC[C@H](COC(=O)N2CCN(C(C)(C)CO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1	ZINC000064528093	562707265	/nfs/dbraw/zinc/70/72/65/562707265.db2.gz	VQOLUEFEGFCAIH-CTNGQTDRSA-N	0	0	532.103	2.669	1	0		KFAFRN
COC(=O)CC[C@@H](NC(=O)Cn1cc(C2=C(c3c[nH]c4ccccc43)C(=O)N(C)C2=O)c2ccccc21)C(=O)OC	ZINC000064531830	562707414	/nfs/dbraw/zinc/70/74/14/562707414.db2.gz	OTOIAMBUAVWHKE-JOCHJYFZSA-N	0	0	556.575	2.643	1	0		KFAFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000064539603	562707555	/nfs/dbraw/zinc/70/75/55/562707555.db2.gz	IHYNYLDNCIALQK-CQAACBLKSA-N	0	0	616.539	2.582	1	0		KFAFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000064539605	562707573	/nfs/dbraw/zinc/70/75/73/562707573.db2.gz	IHYNYLDNCIALQK-UGRMVULZSA-N	0	0	616.539	2.582	1	0		KFAFRN
CC1(C)CCc2c(c3c(nc2N2CCOCC2)sc2c3ncnc2N(CCO)CCN2CCOCC2)C1	ZINC000064539826	562707613	/nfs/dbraw/zinc/70/76/13/562707613.db2.gz	VERPTCRKINCACJ-UHFFFAOYSA-N	0	0	526.707	2.722	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCC1	ZINC000064540048	562707669	/nfs/dbraw/zinc/70/76/69/562707669.db2.gz	NPFZFHJDNKXBAI-JPXKIWHRSA-N	0	0	569.523	2.581	1	0		KFAFRN
CS(=O)(=O)NCCNC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)CCCC2	ZINC000064540312	562707723	/nfs/dbraw/zinc/70/77/23/562707723.db2.gz	WJWUILNRDZSQMW-UHFFFAOYSA-N	0	0	547.625	2.639	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccc(F)cc1)C(=O)OC1CCCCC1	ZINC000064540358	562707741	/nfs/dbraw/zinc/70/77/41/562707741.db2.gz	RJMVGAZAYOUNNR-KDFBYGIPSA-N	0	0	587.513	2.720	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccc(F)cc1	ZINC000064541090	562707790	/nfs/dbraw/zinc/70/77/90/562707790.db2.gz	KVBAVTNQVMADGA-ODYRYABGSA-N	0	0	595.492	2.587	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccc(F)cc1	ZINC000064541093	562707807	/nfs/dbraw/zinc/70/78/07/562707807.db2.gz	KVBAVTNQVMADGA-HNDSHQEYSA-N	0	0	595.492	2.587	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@H](O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1	ZINC000064548516	562707839	/nfs/dbraw/zinc/70/78/39/562707839.db2.gz	HFWMUFQVQHUKDD-DEOSSOPVSA-N	0	0	500.599	2.674	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1	ZINC000064548517	562707849	/nfs/dbraw/zinc/70/78/49/562707849.db2.gz	HFWMUFQVQHUKDD-XMMPIXPASA-N	0	0	500.599	2.674	1	0		KFAFRN
C[C@@H](O)[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1	ZINC000064548742	562707887	/nfs/dbraw/zinc/70/78/87/562707887.db2.gz	GSWWFKZKNJPUOM-CZAAIQMYSA-N	0	0	543.024	2.757	1	0		KFAFRN
C[C@@H](O)[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1	ZINC000064548743	562707898	/nfs/dbraw/zinc/70/78/98/562707898.db2.gz	GSWWFKZKNJPUOM-HBGVWJBISA-N	0	0	543.024	2.757	1	0		KFAFRN
NC(=O)CC[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1	ZINC000064549192	562708018	/nfs/dbraw/zinc/70/80/18/562708018.db2.gz	UVGAGTDOKSZJNT-UGKGYDQZSA-N	0	0	570.050	2.641	1	0		KFAFRN
NC(=O)CC[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1	ZINC000064549193	562708025	/nfs/dbraw/zinc/70/80/25/562708025.db2.gz	UVGAGTDOKSZJNT-SIKLNZKXSA-N	0	0	570.050	2.641	1	0		KFAFRN
CC(C)C[C@@H](/C=C/C(=O)n1cccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C	ZINC000064553331	562708270	/nfs/dbraw/zinc/70/82/70/562708270.db2.gz	NYHMDSUAMVTCMG-JGAGRVIASA-N	0	0	526.634	2.644	1	0		KFAFRN
COc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(NS(=O)(=O)N5CCOCC5)c4)cc23)cc1OC	ZINC000064559360	562708406	/nfs/dbraw/zinc/70/84/06/562708406.db2.gz	HRTVHPLIMOZUSK-UHFFFAOYSA-N	0	0	510.576	2.880	1	0		KFAFRN
C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)c1ccccc1)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O	ZINC000064574007	562708766	/nfs/dbraw/zinc/70/87/66/562708766.db2.gz	BJSGVGGVGMYLFU-ODURVGTKSA-N	0	0	628.671	2.881	1	0		KFAFRN
COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCN4CNCC4=O)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000064617906	562708860	/nfs/dbraw/zinc/70/88/60/562708860.db2.gz	QAMVSSARYNOBAX-XRCYRVQWSA-N	0	0	609.727	2.680	1	0		KFAFRN
COC(=O)Cn1c(C(=O)N(C)C)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(OC)cc3)(C(=O)OC)[C@@H]21	ZINC000064621967	562708820	/nfs/dbraw/zinc/70/88/20/562708820.db2.gz	HWECQLRRCZDMJY-DISODBICSA-N	0	0	573.646	2.938	1	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCN4CNCC4=O)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000064704921	562709036	/nfs/dbraw/zinc/70/90/36/562709036.db2.gz	NOYGOOCSTHITMG-ARROIKNCSA-N	0	0	627.717	2.819	1	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000064708281	562709035	/nfs/dbraw/zinc/70/90/35/562709035.db2.gz	YDWVFVQRVZMXEM-ZNOAHEKZSA-N	0	0	545.636	2.757	1	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@@H]2[C@@H](CC(=O)[C@H]2CC(=O)C(=O)N2CCCC2)CN1C(=O)c1ccccc1	ZINC000064734948	562709079	/nfs/dbraw/zinc/70/90/79/562709079.db2.gz	FUOZZSMWBZCJBY-BRXNTPPASA-N	0	0	546.620	2.709	1	0		KFAFRN
Cc1noc(C)c1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1	ZINC000064744200	562709097	/nfs/dbraw/zinc/70/90/97/562709097.db2.gz	UAGAABCJKYADIR-HJPURHCSSA-N	0	0	511.620	2.995	1	0	in-vitro	KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C	ZINC000064744214	562709113	/nfs/dbraw/zinc/70/91/13/562709113.db2.gz	ONZIIEDMJXLRAD-NEKDWFFYSA-N	0	0	546.686	2.897	1	0	in-vitro	KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2O[C@@H]2CCC(F)(F)C2)CC1	ZINC000066066242	562709342	/nfs/dbraw/zinc/70/93/42/562709342.db2.gz	MNCNNPYUCKJSQH-GOSISDBHSA-N	0	0	500.543	2.798	1	0		KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2O[C@H]2CCC(F)(F)C2)CC1	ZINC000066066243	562709327	/nfs/dbraw/zinc/70/93/27/562709327.db2.gz	MNCNNPYUCKJSQH-SFHVURJKSA-N	0	0	500.543	2.798	1	0		KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O[C@@H]2CC[C@H](F)C2)CC1	ZINC000066066244	562709358	/nfs/dbraw/zinc/70/93/58/562709358.db2.gz	WRTLWHJYYOYYFJ-HNAYVOBHSA-N	0	0	500.543	2.640	1	0	in-vivo	KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O[C@H]2CC[C@H](F)C2)CC1	ZINC000066066245	562709340	/nfs/dbraw/zinc/70/93/40/562709340.db2.gz	WRTLWHJYYOYYFJ-KXBFYZLASA-N	0	0	500.543	2.640	1	0	in-vivo	KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O[C@@H]2CC[C@@H](F)C2)CC1	ZINC000066066246	562709359	/nfs/dbraw/zinc/70/93/59/562709359.db2.gz	WRTLWHJYYOYYFJ-DNVCBOLYSA-N	0	0	500.543	2.640	1	0	in-vivo	KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O[C@H]2CC[C@@H](F)C2)CC1	ZINC000066066247	562709348	/nfs/dbraw/zinc/70/93/48/562709348.db2.gz	WRTLWHJYYOYYFJ-BEFAXECRSA-N	0	0	500.543	2.640	1	0	in-vivo	KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O[C@@H]2CCC(F)(F)C2)CC1	ZINC000066066248	562709328	/nfs/dbraw/zinc/70/93/28/562709328.db2.gz	PVBAILBGTLOSEF-GOSISDBHSA-N	0	0	518.533	2.938	1	0		KFAFRN
CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2O[C@H]2CCC(F)(F)C2)CC1	ZINC000066066249	562709336	/nfs/dbraw/zinc/70/93/36/562709336.db2.gz	PVBAILBGTLOSEF-SFHVURJKSA-N	0	0	518.533	2.938	1	0		KFAFRN
CC(C)(Oc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(=O)[O-]	ZINC000066066384	562709365	/nfs/dbraw/zinc/70/93/65/562709365.db2.gz	ZIXCRNJNDWBOCW-WAIKUNEKSA-N	0	0	539.576	2.824	1	0		KFAFRN
CC(C)(Oc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(=O)[O-]	ZINC000066066385	562709369	/nfs/dbraw/zinc/70/93/69/562709369.db2.gz	ZIXCRNJNDWBOCW-MWTRTKDXSA-N	0	0	539.576	2.824	1	0		KFAFRN
CNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC000066073768	562709539	/nfs/dbraw/zinc/70/95/39/562709539.db2.gz	CIRUTWSJCAALLH-NRFANRHFSA-N	0	0	506.434	2.988	1	0		KFAFRN
CC(C)(Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(=O)[O-]	ZINC000066074024	562709676	/nfs/dbraw/zinc/70/96/76/562709676.db2.gz	QYYRKMWJQQAQSV-WAIKUNEKSA-N	0	0	538.592	2.857	1	0		KFAFRN
CC(C)(Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(=O)[O-]	ZINC000066074025	562709666	/nfs/dbraw/zinc/70/96/66/562709666.db2.gz	QYYRKMWJQQAQSV-MWTRTKDXSA-N	0	0	538.592	2.857	1	0		KFAFRN
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(OC)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	ZINC000066074244	562709799	/nfs/dbraw/zinc/70/97/99/562709799.db2.gz	UWRLEUQPRUZEBA-NECIELHISA-N	0	0	550.689	2.633	1	0		KFAFRN
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1	ZINC000066074342	562709758	/nfs/dbraw/zinc/70/97/58/562709758.db2.gz	GJOSCUDLFIIRRY-SFHVURJKSA-N	0	0	549.531	2.815	1	0		KFAFRN
COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)c1	ZINC000066074389	562709759	/nfs/dbraw/zinc/70/97/59/562709759.db2.gz	IVHDKTQWYKESAJ-UHFFFAOYSA-N	0	0	506.603	2.699	1	0		KFAFRN
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cnnn1-c1ccc(C(F)(F)F)cc1	ZINC000066075451	562709978	/nfs/dbraw/zinc/70/99/78/562709978.db2.gz	IPSZCLREVQXCLR-KRWDZBQOSA-N	0	0	549.531	2.815	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3OCC)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000066076937	562710215	/nfs/dbraw/zinc/71/02/15/562710215.db2.gz	QRZIJTQSEYXEGO-LZEIJKKFSA-N	0	0	582.526	2.539	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3OCC)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000066076940	562710228	/nfs/dbraw/zinc/71/02/28/562710228.db2.gz	QRZIJTQSEYXEGO-UXWKOXIMSA-N	0	0	582.526	2.539	1	0		KFAFRN
CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCC)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000066076942	562710216	/nfs/dbraw/zinc/71/02/16/562710216.db2.gz	FNBZZIOJOPZXOD-PPHUIUKBSA-N	0	0	596.553	2.929	1	0		KFAFRN
CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OCC)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000066076945	562710248	/nfs/dbraw/zinc/71/02/48/562710248.db2.gz	FNBZZIOJOPZXOD-WZNVMZHKSA-N	0	0	596.553	2.929	1	0		KFAFRN
COc1ccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NCC2CC2)cc1	ZINC000066076999	562710234	/nfs/dbraw/zinc/71/02/34/562710234.db2.gz	HSRUDFFKHXRWDU-UHFFFAOYSA-N	0	0	506.603	2.699	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3NC2CC2)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000066079295	562710600	/nfs/dbraw/zinc/71/06/00/562710600.db2.gz	CEYFYRBZVPTSAU-BZJQLRPQSA-N	0	0	593.553	2.714	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3NC2CC2)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000066079298	562710597	/nfs/dbraw/zinc/71/05/97/562710597.db2.gz	CEYFYRBZVPTSAU-HFTNCSCUSA-N	0	0	593.553	2.714	1	0		KFAFRN
CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000066080135	562710705	/nfs/dbraw/zinc/71/07/05/562710705.db2.gz	NEHUDHAPPFQNGB-LZEIJKKFSA-N	0	0	582.526	2.539	1	0		KFAFRN
CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000066080137	562710727	/nfs/dbraw/zinc/71/07/27/562710727.db2.gz	NEHUDHAPPFQNGB-UXWKOXIMSA-N	0	0	582.526	2.539	1	0		KFAFRN
CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000066098793	562710976	/nfs/dbraw/zinc/71/09/76/562710976.db2.gz	JQMKFKFKWPJCAL-WZNVMZHKSA-N	0	0	596.553	2.927	1	0		KFAFRN
CCOCCCNc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn(-c2ccccc2)c1=O	ZINC000066098804	562710993	/nfs/dbraw/zinc/71/09/93/562710993.db2.gz	NKAHVNIWQOFVPE-UHFFFAOYSA-N	0	0	511.648	2.723	1	0		KFAFRN
O=C(NOCCO)c1cc(CN2OCCOC2=O)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000066101488	562711391	/nfs/dbraw/zinc/71/13/91/562711391.db2.gz	AVGMZZMVFXLTSU-UHFFFAOYSA-N	0	0	567.258	2.990	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1	ZINC000066104050	562711635	/nfs/dbraw/zinc/71/16/35/562711635.db2.gz	NUWMLVHSFCJAQZ-UIPNDDLNSA-N	0	0	561.701	2.765	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCC1	ZINC000066104405	562711729	/nfs/dbraw/zinc/71/17/29/562711729.db2.gz	FRVBHGLFIAIPBP-TYIXDNFVSA-N	0	0	608.564	2.746	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCC1	ZINC000066104409	562711733	/nfs/dbraw/zinc/71/17/33/562711733.db2.gz	FRVBHGLFIAIPBP-CVWSBMTFSA-N	0	0	608.564	2.746	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(CO)cc1	ZINC000066104664	562711786	/nfs/dbraw/zinc/71/17/86/562711786.db2.gz	CSJDFFYRCHBBOC-AJIIGFCHSA-N	0	0	576.712	2.676	1	0		KFAFRN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3N2CCC2)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000066105045	562711805	/nfs/dbraw/zinc/71/18/05/562711805.db2.gz	QPNXQDRJYCNHAC-MRTUVEEPSA-N	0	0	607.580	2.739	1	0		KFAFRN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3N2CCC2)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000066105047	562711807	/nfs/dbraw/zinc/71/18/07/562711807.db2.gz	QPNXQDRJYCNHAC-CAJMDTDNSA-N	0	0	607.580	2.739	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCO[C@H]3COC[C@H]32)cc1	ZINC000066105107	562711824	/nfs/dbraw/zinc/71/18/24/562711824.db2.gz	KGSSSPQUCHAWSO-KLMIGJKJSA-N	0	0	576.712	2.844	1	0		KFAFRN
CCOCCOCCOc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1	ZINC000066113054	562712122	/nfs/dbraw/zinc/71/21/22/562712122.db2.gz	SFEVCRSRCCGAEL-BIGMCNFVSA-N	0	0	505.995	2.929	1	0		KFAFRN
COc1ccc(O)c(/C=C\C(=O)OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](OC(=O)/C=C\c3cc(OC)ccc3O)[C@@H](O)[C@@H]2O)c1	ZINC000066113324	562712196	/nfs/dbraw/zinc/71/21/96/562712196.db2.gz	VZMAYTGBKKDAOI-KNPJAZBNSA-N	0	0	624.595	2.528	1	0	in-vitro	KFAFRN
CCN1c2ccccc2S(=O)(=O)N=C1NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1	ZINC000066124129	562712675	/nfs/dbraw/zinc/71/26/75/562712675.db2.gz	QIZGXKHBMYPVGW-KRWDZBQOSA-N	0	0	519.624	2.879	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@]23CCC(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C3=N1	ZINC000066148038	562713536	/nfs/dbraw/zinc/71/35/36/562713536.db2.gz	CKUBYPULUAJABF-ABYGYWHVSA-N	0	0	549.580	2.603	1	0		KFAFRN
COCCN1C(=O)CC[C@@]23c4ccccc4N(Cc4ccccc4)[C@H]2C(C(=O)OC)=C(C(=O)OC)N=C13	ZINC000066148865	562713669	/nfs/dbraw/zinc/71/36/69/562713669.db2.gz	HJQMAYSCSQEEKH-RBJSKKJNSA-N	0	0	503.555	2.594	1	0		KFAFRN
COCCN1C(=O)CC[C@]23c4ccccc4N(Cc4ccccc4)[C@@H]2C(C(=O)OC)=C(C(=O)OC)N=C13	ZINC000066148867	562713718	/nfs/dbraw/zinc/71/37/18/562713718.db2.gz	HJQMAYSCSQEEKH-YWEHKCAJSA-N	0	0	503.555	2.594	1	0		KFAFRN
COCCN1C(=O)CC[C@@]23c4ccccc4N(Cc4ccccc4)[C@@H]2C(C(=O)OC)=C(C(=O)OC)N=C13	ZINC000066148870	562713723	/nfs/dbraw/zinc/71/37/23/562713723.db2.gz	HJQMAYSCSQEEKH-UFHPHHKVSA-N	0	0	503.555	2.594	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@H](CO)N(C(=O)CC(C)C)C3=N1	ZINC000066156901	562713839	/nfs/dbraw/zinc/71/38/39/562713839.db2.gz	MAFXAVVJHBRFDW-JXRYAWGUSA-N	0	0	531.609	2.965	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23C[C@@H](CO)N(C(=O)CC(C)C)C3=N1	ZINC000066156905	562713833	/nfs/dbraw/zinc/71/38/33/562713833.db2.gz	MAFXAVVJHBRFDW-DEXCARTJSA-N	0	0	531.609	2.965	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@]23C[C@H](CO)N(C(=O)CC(C)C)C3=N1	ZINC000066156907	562713853	/nfs/dbraw/zinc/71/38/53/562713853.db2.gz	MAFXAVVJHBRFDW-APLQCPMFSA-N	0	0	531.609	2.965	1	0		KFAFRN
COc1ccc(CNC(=O)[C@H]2CN(c3cc(OC)nc(OC)n3)CCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000066156910	562713860	/nfs/dbraw/zinc/71/38/60/562713860.db2.gz	KPMIAKLULQWSOC-OAQYLSRUSA-N	0	0	611.599	2.597	1	0	in-vitro	KFAFRN
NC(=O)CNC(=O)[C@@H]1CCCN1Cc1nc(-c2cn(CC3CCOCC3)c3c2cccc3Cl)ns1	ZINC000066156924	562713864	/nfs/dbraw/zinc/71/38/64/562713864.db2.gz	VGJZMJBUVPQDLE-IBGZPJMESA-N	0	0	517.055	2.806	1	0		KFAFRN
CS(=O)(=O)NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O	ZINC000066166704	562714145	/nfs/dbraw/zinc/71/41/45/562714145.db2.gz	ADQUNHYPPRCFBH-UHFFFAOYSA-N	0	0	595.766	2.681	1	0		KFAFRN
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(Cc4ccccc4)c4ccccc4[C@]23C[C@@H]1C(=O)OC	ZINC000066167267	562714298	/nfs/dbraw/zinc/71/42/98/562714298.db2.gz	SDUJUGSOWFZHOQ-QTZUSBOUSA-N	0	0	547.564	2.729	1	0		KFAFRN
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(Cc4ccccc4)c4ccccc4[C@@]23C[C@H]1C(=O)OC	ZINC000066167268	562714322	/nfs/dbraw/zinc/71/43/22/562714322.db2.gz	SDUJUGSOWFZHOQ-FWMKOTLJSA-N	0	0	547.564	2.729	1	0		KFAFRN
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(Cc4ccccc4)c4ccccc4[C@@]23C[C@@H]1C(=O)OC	ZINC000066167269	562714297	/nfs/dbraw/zinc/71/42/97/562714297.db2.gz	SDUJUGSOWFZHOQ-YOZPAVSOSA-N	0	0	547.564	2.729	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccco2)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000066251308	562714435	/nfs/dbraw/zinc/71/44/35/562714435.db2.gz	QDAQIYJNIQHWCF-MUOOZBOOSA-N	0	0	558.484	2.665	1	0		KFAFRN
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1)N1CCn2c3ccccc3nc21	ZINC000066252256	562714684	/nfs/dbraw/zinc/71/46/84/562714684.db2.gz	BNJICQAIXJRZCR-NRFANRHFSA-N	0	0	504.597	2.977	1	0		KFAFRN
O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1)N1CCn2c3ccccc3nc21	ZINC000066252257	562714677	/nfs/dbraw/zinc/71/46/77/562714677.db2.gz	BNJICQAIXJRZCR-OAQYLSRUSA-N	0	0	504.597	2.977	1	0		KFAFRN
O=C(CN1CCN(CCO)CC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2oc3ccccc3c21	ZINC000066252412	562714749	/nfs/dbraw/zinc/71/47/49/562714749.db2.gz	DRSXEEWNOJMELV-UHFFFAOYSA-N	0	0	582.661	2.646	1	0		KFAFRN
CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCCCNS(C)(=O)=O)CN3c2ccccc2)cc1	ZINC000066252566	562714814	/nfs/dbraw/zinc/71/48/14/562714814.db2.gz	DRWBYKJPFLJNIU-UHFFFAOYSA-N	0	0	597.782	2.711	1	0		KFAFRN
CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCCO)CN3c2ccccc2)cc1	ZINC000066258804	562715136	/nfs/dbraw/zinc/71/51/36/562715136.db2.gz	IMQZHUYGHHMTGK-UHFFFAOYSA-N	0	0	506.647	2.764	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccoc2)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000066258810	562715101	/nfs/dbraw/zinc/71/51/01/562715101.db2.gz	SYGGADLVZFRPOF-MUOOZBOOSA-N	0	0	558.484	2.665	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccoc2)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000066258811	562715098	/nfs/dbraw/zinc/71/50/98/562715098.db2.gz	SYGGADLVZFRPOF-YQBRCWAOSA-N	0	0	558.484	2.665	1	0		KFAFRN
CS(=O)(=O)NCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O	ZINC000066258965	562715132	/nfs/dbraw/zinc/71/51/32/562715132.db2.gz	RFFIXVPARXMKKX-UHFFFAOYSA-N	0	0	581.739	2.638	1	0		KFAFRN
COC(=O)CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O	ZINC000066259599	562715288	/nfs/dbraw/zinc/71/52/88/562715288.db2.gz	XYCDEPJXULMTQT-UHFFFAOYSA-N	0	0	520.630	2.554	1	0		KFAFRN
COC(=O)CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O	ZINC000066259810	562715338	/nfs/dbraw/zinc/71/53/38/562715338.db2.gz	ALPGWVXXXIEYBV-UHFFFAOYSA-N	0	0	534.657	2.945	1	0		KFAFRN
CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)CN3c2ccccc2)cc1	ZINC000066260083	562715398	/nfs/dbraw/zinc/71/53/98/562715398.db2.gz	MTJPASGYAZNZTN-DEOSSOPVSA-N	0	0	559.711	2.989	1	0		KFAFRN
CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCC[C@@H](C(N)=O)C2)CN3c2ccccc2)cc1	ZINC000066260084	562715406	/nfs/dbraw/zinc/71/54/06/562715406.db2.gz	MTJPASGYAZNZTN-XMMPIXPASA-N	0	0	559.711	2.989	1	0		KFAFRN
CN(C)CC(=O)OCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000066261989	562715441	/nfs/dbraw/zinc/71/54/41/562715441.db2.gz	FWEKYVRZFJFEBU-WCYRKSIYSA-N	0	0	569.813	2.950	1	0		KFAFRN
O=C(NC[C@@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1	ZINC000066261991	562715433	/nfs/dbraw/zinc/71/54/33/562715433.db2.gz	INLDLAFZCBBLEU-UTKZUKDTSA-N	0	0	510.597	2.537	1	0		KFAFRN
O=C(NC[C@@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1	ZINC000066261994	562715469	/nfs/dbraw/zinc/71/54/69/562715469.db2.gz	INLDLAFZCBBLEU-DYESRHJHSA-N	0	0	510.597	2.537	1	0		KFAFRN
O=C(NC[C@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1	ZINC000066261997	562715477	/nfs/dbraw/zinc/71/54/77/562715477.db2.gz	INLDLAFZCBBLEU-UWJYYQICSA-N	0	0	510.597	2.537	1	0		KFAFRN
O=C(NC[C@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1	ZINC000066262000	562715475	/nfs/dbraw/zinc/71/54/75/562715475.db2.gz	INLDLAFZCBBLEU-LAUBAEHRSA-N	0	0	510.597	2.537	1	0		KFAFRN
O=C(CN(CCO)CCO)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21	ZINC000066262151	562715509	/nfs/dbraw/zinc/71/55/09/562715509.db2.gz	WRVUCGTULIISOP-UHFFFAOYSA-N	0	0	573.675	2.791	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C	ZINC000067810115	562715623	/nfs/dbraw/zinc/71/56/23/562715623.db2.gz	LAQXJGUAIIHFMN-QYEAGPHUSA-N	0	0	649.789	2.541	1	0		KFAFRN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000067847962	562715633	/nfs/dbraw/zinc/71/56/33/562715633.db2.gz	NVCUAFIUMZCPGV-FDNVLKJTSA-N	0	0	592.770	2.797	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1	ZINC000068106437	562715768	/nfs/dbraw/zinc/71/57/68/562715768.db2.gz	GWFOARYKMAXQGE-UROFWLPCSA-N	0	0	664.612	2.790	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1	ZINC000068106443	562715760	/nfs/dbraw/zinc/71/57/60/562715760.db2.gz	GWFOARYKMAXQGE-NGIWKXMYSA-N	0	0	664.612	2.790	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@H](c2cccs2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1	ZINC000068197537	562715885	/nfs/dbraw/zinc/71/58/85/562715885.db2.gz	YRYWYUOUFFERAZ-QFIPXVFZSA-N	0	0	523.608	2.599	1	0		KFAFRN
O=C(NOC[C@H](O)CO)c1ccc2cnsc2c1Nc1ccc(I)cc1F	ZINC000068197691	562715911	/nfs/dbraw/zinc/71/59/11/562715911.db2.gz	FOOQXAKAICKOPK-LLVKDONJSA-N	0	0	503.293	2.798	1	0		KFAFRN
O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1	ZINC000068201817	562715995	/nfs/dbraw/zinc/71/59/95/562715995.db2.gz	ZTFUBPOPIVYCLV-UHFFFAOYSA-N	0	0	511.689	2.992	1	0		KFAFRN
CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4cccc(CN5CCS(=O)(=O)CC5)c4)nn32)cc1	ZINC000068247676	562716164	/nfs/dbraw/zinc/71/61/64/562716164.db2.gz	VFRBZPIMVLVQNZ-UHFFFAOYSA-N	0	0	511.629	2.774	1	0		KFAFRN
C[C@H](N)C(=O)O[C@@H](C)C(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c2ncnc3N)CC1	ZINC000068267669	562716279	/nfs/dbraw/zinc/71/62/79/562716279.db2.gz	SWZWQKKFNJGOQM-KBPBESRZSA-N	0	0	620.530	2.959	1	0		KFAFRN
COC(=O)[C@H](CCCCNC(=O)Nc1ccc(OC)cc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000069061734	562716327	/nfs/dbraw/zinc/71/63/27/562716327.db2.gz	AXGQBYQMSQLUSO-NRFANRHFSA-N	0	0	509.563	2.514	1	0		KFAFRN
COC(=O)[C@H](CCCCNC(=O)Nc1ccc(OC)cc1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000069061784	562716337	/nfs/dbraw/zinc/71/63/37/562716337.db2.gz	HLDUMWZZDMBYQQ-QFIPXVFZSA-N	0	0	523.590	2.904	1	0		KFAFRN
CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C	ZINC000070454129	291752760	/nfs/dbraw/zinc/75/27/60/291752760.db2.gz	USDGRBIQBGVGOS-LBAPPZQKSA-N	0	0	594.654	2.596	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC/C1=C\[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(OC(C)=O)=C(C)[C@@H](OC(C)=O)C[C@@H]1O)C2(C)C	ZINC000070454130	560048692	/nfs/dbraw/zinc/04/86/92/560048692.db2.gz	ARCDGVGZYWJKDA-LBAPPZQKSA-N	0	0	594.654	2.596	1	0	biogenic,in-vitro	KFAFRN
COc1cc(C(=O)O[C@@H]2C(OC)=C(C)[C@]3(O)CC(=O)O[C@@H]4C[C@H]5[C@H](C)C[C@H](O)C(=O)[C@]5(C)[C@@H]2[C@@]43C)cc2c1OCO2	ZINC000070454196	560048562	/nfs/dbraw/zinc/04/85/62/560048562.db2.gz	YRGKNTFWWADMBW-IXSPODOISA-N	0	0	572.607	2.548	1	0	biogenic,in-vitro	KFAFRN
C/C=C/c1cc(=O)c2c(C)cc(OC)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)c2o1	ZINC000070454423	560048491	/nfs/dbraw/zinc/04/84/91/560048491.db2.gz	GNJGAHVOVZSAER-YKNVIJTPSA-N	0	0	538.549	2.628	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC1=C2C(C)[C@@H](O)C[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000070454569	560048198	/nfs/dbraw/zinc/04/81/98/560048198.db2.gz	NCUGSKHACUXXDP-VONYEQKCSA-N	0	0	570.635	2.538	1	0	biogenic,in-vitro	KFAFRN
[NH3+][C@@H](CCSC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NCCc2ccc(-c3ccccc3)cc2)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000070631553	562716407	/nfs/dbraw/zinc/71/64/07/562716407.db2.gz	AJASNJHKLZFEOV-CIPJCTFPSA-N	0	0	599.113	2.956	1	0		KFAFRN
[NH3+][C@H](CCSC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NCCc2ccc(-c3ccccc3)cc2)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000070631554	562716404	/nfs/dbraw/zinc/71/64/04/562716404.db2.gz	AJASNJHKLZFEOV-LMQUZHDGSA-N	0	0	599.113	2.956	1	0		KFAFRN
O=C([O-])[C@@H]1C[C@H](SC[C@H]2O[C@@H](n3cnc4c3nc(Cl)nc4NCCc3ccc(-c4ccccc4)cc3)[C@H](O)[C@@H]2O)C[NH2+]1	ZINC000070631558	562716393	/nfs/dbraw/zinc/71/63/93/562716393.db2.gz	JUNARBZTVSAGMF-ODXIBGGOSA-N	0	0	611.124	2.969	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N(CCc2ccc(Br)cc2)c2nnc(S(N)(=O)=O)s2)cc1	ZINC000071280950	562716621	/nfs/dbraw/zinc/71/66/21/562716621.db2.gz	GCMYMAMGEYJZQC-UHFFFAOYSA-N	0	0	517.452	2.694	1	0		KFAFRN
COC(=O)CNOP(=O)(ONCC(=O)OC)Oc1cc(/C=C\c2cc(F)c(OC)c(OC)c2)ccc1OC	ZINC000071281585	562716723	/nfs/dbraw/zinc/71/67/23/562716723.db2.gz	FFAPDNBHFCOUBS-SREVYHEPSA-N	0	0	558.452	2.897	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2nnc(S(N)(=O)=O)s2)cc1	ZINC000071294605	562716962	/nfs/dbraw/zinc/71/69/62/562716962.db2.gz	CXWBNFDJWLEADI-UHFFFAOYSA-N	0	0	503.425	2.652	1	0		KFAFRN
COC(=O)[C@H](CCCCNC(=S)Nc1cccc(F)c1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000071295402	562717248	/nfs/dbraw/zinc/71/72/48/562717248.db2.gz	WTPFPHLLGRANSO-FQEVSTJZSA-N	0	0	513.595	2.810	1	0		KFAFRN
Cc1ccccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1	ZINC000071295504	562717272	/nfs/dbraw/zinc/71/72/72/562717272.db2.gz	YGTSAUDEZYDSGM-UHFFFAOYSA-N	0	0	505.681	2.978	1	0		KFAFRN
COC(=O)[C@H](CCCCNC(=S)Nc1ccccc1C)NC(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000071295517	562717253	/nfs/dbraw/zinc/71/72/53/562717253.db2.gz	IQZRQYBUEHTWHM-NRFANRHFSA-N	0	0	509.632	2.979	1	0		KFAFRN
CCCCCC(=O)Oc1cc2c(c(OC(C)=O)c1OC)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC2=O	ZINC000071296052	562717390	/nfs/dbraw/zinc/71/73/90/562717390.db2.gz	BNNUDAQCOVGGAZ-WVNYXTNMSA-N	0	0	594.566	2.512	1	0		KFAFRN
COCCNC(=O)O[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3	ZINC000071296228	562717442	/nfs/dbraw/zinc/71/74/42/562717442.db2.gz	NDAGEFLCSRZLPG-AZIXLERZSA-N	0	0	515.515	2.790	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000071296253	562717440	/nfs/dbraw/zinc/71/74/40/562717440.db2.gz	YWGCNEJCSAXMKQ-FQEVSTJZSA-N	0	0	581.573	2.588	1	0		KFAFRN
COc1cc(O)c2c(c1Br)C(=O)O[C@H](c1ccccc1)C(=O)NCC(=O)N[C@H](c1nc(C)no1)CSC2	ZINC000071296309	562717503	/nfs/dbraw/zinc/71/75/03/562717503.db2.gz	LJJLUWUXABCOOW-YCRPNKLZSA-N	0	0	591.440	2.973	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CC/C=C3/c4ccccc4COc4ccc(C(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000071296588	562717548	/nfs/dbraw/zinc/71/75/48/562717548.db2.gz	BPDWWCSMAZGENY-AQHIEDMUSA-N	0	0	516.598	2.709	1	0		KFAFRN
O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I	ZINC000071296654	562717580	/nfs/dbraw/zinc/71/75/80/562717580.db2.gz	IUEHDTRLKKNLDW-UHFFFAOYSA-N	0	0	554.432	2.868	1	0		KFAFRN
C[C@H](C(=O)[O-])c1ccc2c(c1)N(CCC[N@@H+]1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1CO2	ZINC000071297042	562717721	/nfs/dbraw/zinc/71/77/21/562717721.db2.gz	DMMAFYCLHWGPBF-NRFANRHFSA-N	0	0	547.656	2.905	1	0		KFAFRN
C[C@@H](C(=O)[O-])c1ccc2c(c1)N(CCC[N@@H+]1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1CO2	ZINC000071297043	562717734	/nfs/dbraw/zinc/71/77/34/562717734.db2.gz	DMMAFYCLHWGPBF-OAQYLSRUSA-N	0	0	547.656	2.905	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3ccccc3F)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000071316119	562717834	/nfs/dbraw/zinc/71/78/34/562717834.db2.gz	FIIHQXRCSPPALW-IBGZPJMESA-N	0	0	599.563	2.727	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(OC)n3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1	ZINC000071316482	562717942	/nfs/dbraw/zinc/71/79/42/562717942.db2.gz	VRLGYEUMJAVXMO-OAQYLSRUSA-N	0	0	611.599	2.597	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4CCc4ccc(CC(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000071316513	562717929	/nfs/dbraw/zinc/71/79/29/562717929.db2.gz	BDOFZYNAHBHVET-UHFFFAOYSA-N	0	0	531.657	2.550	1	0		KFAFRN
COc1cccc2cc(CSc3nc4cncnc4n3[C@@H]3O[C@H](CO)[C@@H]4OC(C)(C)O[C@H]34)c(=O)oc21	ZINC000071316524	562718000	/nfs/dbraw/zinc/71/80/00/562718000.db2.gz	RYKUKKWYKGRGFX-BOFXEDATSA-N	0	0	512.544	2.643	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2c(SCc3cc4cc(C)ccc4oc3=O)nc3cncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000071316637	562717968	/nfs/dbraw/zinc/71/79/68/562717968.db2.gz	HJTNONZBIIKAEQ-VWBWNGLSSA-N	0	0	582.591	2.857	1	0		KFAFRN
COc1ccc(CNC(=O)[C@@H]2CN(c3cc(OC)nc(OC)n3)CCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000071316669	562717976	/nfs/dbraw/zinc/71/79/76/562717976.db2.gz	KPMIAKLULQWSOC-NRFANRHFSA-N	0	0	611.599	2.597	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CC/C=C3/c4ccccc4COc4ccc(CC(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000071316784	562718045	/nfs/dbraw/zinc/71/80/45/562718045.db2.gz	ODFDIJBCTCNYMX-OPVMPGTRSA-N	0	0	530.625	2.638	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3cccc(C)c3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000071316830	562718022	/nfs/dbraw/zinc/71/80/22/562718022.db2.gz	JYLZZPPGQKIYTM-OAQYLSRUSA-N	0	0	595.600	2.897	1	0		KFAFRN
O=C(NCCO)[C@@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O	ZINC000071316960	562718103	/nfs/dbraw/zinc/71/81/03/562718103.db2.gz	POOIRAMVDDLAIT-QHCPKHFHSA-N	0	0	513.594	2.660	1	0	in-vitro	KFAFRN
O=C(NCCO)[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O	ZINC000071316961	562718118	/nfs/dbraw/zinc/71/81/18/562718118.db2.gz	POOIRAMVDDLAIT-HSZRJFAPSA-N	0	0	513.594	2.660	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2c(SCc3cc4cc(F)ccc4oc3=O)nc3cncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000071317257	562718180	/nfs/dbraw/zinc/71/81/80/562718180.db2.gz	APKJFJVBVVMVPG-GBEXAXCTSA-N	0	0	586.554	2.688	1	0		KFAFRN
Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3F)CC2)c2nn(Cc3cccc(Cl)c3)c(=O)n21	ZINC000071317820	562718299	/nfs/dbraw/zinc/71/82/99/562718299.db2.gz	XTHPFNCCEPOFBL-UHFFFAOYSA-N	0	0	539.978	2.625	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCC([S@@](=O)c2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000071317867	562718297	/nfs/dbraw/zinc/71/82/97/562718297.db2.gz	XGFMCNHAXDSQDV-XIFFEERXSA-N	0	0	505.622	2.726	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCC([S@](=O)c2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000071317868	562718311	/nfs/dbraw/zinc/71/83/11/562718311.db2.gz	XGFMCNHAXDSQDV-MGBGTMOVSA-N	0	0	505.622	2.726	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000071317881	562718381	/nfs/dbraw/zinc/71/83/81/562718381.db2.gz	QNJXVZRKQYJJKA-FQEVSTJZSA-N	0	0	599.563	2.727	1	0		KFAFRN
Cn1c(=O)cc(N2CCC[N@H+](CCCN3c4ccccc4CCc4ccc(C(=O)[O-])cc43)CC2)n(C)c1=O	ZINC000071317939	562718352	/nfs/dbraw/zinc/71/83/52/562718352.db2.gz	QQXGHFOKGJXCOQ-UHFFFAOYSA-N	0	0	517.630	2.621	1	0		KFAFRN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(NCCCN5CCOCC5)n4)CC3)c(F)c21	ZINC000071318108	562718400	/nfs/dbraw/zinc/71/84/00/562718400.db2.gz	XUOPLHKJAZPELJ-UHFFFAOYSA-N	0	0	571.629	2.557	1	0		KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000071318216	562718474	/nfs/dbraw/zinc/71/84/74/562718474.db2.gz	WIUWJZGAVWPJKP-LVXARBLLSA-N	0	0	553.077	2.934	1	0		KFAFRN
Cn1ccnc1CN1CCC(N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)CC1	ZINC000071318244	562718484	/nfs/dbraw/zinc/71/84/84/562718484.db2.gz	DYHMJLUAOHTSNR-AYWVHJORSA-N	0	0	552.635	2.980	1	0		KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1	ZINC000071318525	562718571	/nfs/dbraw/zinc/71/85/71/562718571.db2.gz	UBGPQKGLZLBDPE-LVXARBLLSA-N	0	0	553.077	2.934	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000071318640	562718550	/nfs/dbraw/zinc/71/85/50/562718550.db2.gz	QQTSNYXAEAFGQR-QQJYNPJZSA-N	0	0	527.526	2.886	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)C3CCCCC3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000071318692	562718623	/nfs/dbraw/zinc/71/86/23/562718623.db2.gz	QRVZSHOSWRVEJY-FQEVSTJZSA-N	0	0	587.621	2.862	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2c(SCc3cc4ccccc4oc3=O)nc3cncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000071319121	562718733	/nfs/dbraw/zinc/71/87/33/562718733.db2.gz	LDGVAOAWHDIFMG-GBEXAXCTSA-N	0	0	568.564	2.549	1	0		KFAFRN
CN(CCS(C)(=O)=O)Cc1c(C(=O)N[C@@H]2CCC[C@H](O)C2)noc1-c1ccc(C(F)(F)F)cc1	ZINC000071319329	562718804	/nfs/dbraw/zinc/71/88/04/562718804.db2.gz	HLPIEPZFWBATOO-SJORKVTESA-N	0	0	503.543	2.870	1	0		KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C	ZINC000071329262	562718845	/nfs/dbraw/zinc/71/88/45/562718845.db2.gz	ONZIIEDMJXLRAD-FIPFOOKPSA-N	0	0	546.686	2.897	1	0		KFAFRN
COC(=O)c1ccc([C@@H]2C[C@@]3(C)[C@@H](CC[C@@]4(C)[C@H](C(=O)OC)C[C@H](OC(C)=O)C(=O)[C@@H]43)C(=O)O2)cc1C(=O)OC	ZINC000071329379	562718883	/nfs/dbraw/zinc/71/88/83/562718883.db2.gz	JGLDRKQGSIVCSD-RYLIGVMFSA-N	0	0	558.580	2.980	1	0		KFAFRN
COc1cccc2cc(CSc3nc4cncnc4n3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)oc21	ZINC000071329463	562718858	/nfs/dbraw/zinc/71/88/58/562718858.db2.gz	SYNUAGVBPMEUMW-HBAHCVPVSA-N	0	0	598.590	2.558	1	0		KFAFRN
COc1cc(O)c2c(c1Br)C(=O)OCC(=S)NCC(=S)N[C@H](c1nc(C)no1)CSC2	ZINC000071329482	562718860	/nfs/dbraw/zinc/71/88/60/562718860.db2.gz	DPCPRTNWMIWLET-JTQLQIEISA-N	0	0	547.478	2.834	1	0		KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl	ZINC000071329548	562718942	/nfs/dbraw/zinc/71/89/42/562718942.db2.gz	LEHBRCOLRVRBBU-FNZWTVRRSA-N	0	0	553.077	2.934	1	0		KFAFRN
COc1cc(O)c2c(c1Br)C(=O)OCCN(C(=O)C(C)(C)C)CC(=O)N[C@H](c1nc(C)no1)CSC2	ZINC000071330358	562719138	/nfs/dbraw/zinc/71/91/38/562719138.db2.gz	ZZVFKXAYDYGUEI-AWEZNQCLSA-N	0	0	585.477	2.991	1	0		KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C	ZINC000071330979	562719211	/nfs/dbraw/zinc/71/92/11/562719211.db2.gz	JDFJJGRNMNHIGL-CUNXSJBXSA-N	0	0	532.659	2.589	1	0		KFAFRN
CCOCCOc1nn(-c2ccccc2)c(=O)c(OCCOCC)c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000071331307	562719285	/nfs/dbraw/zinc/71/92/85/562719285.db2.gz	ZMLDOJZKQYZKTJ-UHFFFAOYSA-N	0	0	586.711	2.715	1	0		KFAFRN
O=S(=O)(CF)N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@]2(O)C1	ZINC000071333295	562719451	/nfs/dbraw/zinc/71/94/51/562719451.db2.gz	CIYQPMOPDLHLKL-CAYVGHNUSA-N	0	0	525.954	2.810	1	0		KFAFRN
COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N2CCCCC2)c(C)c1C	ZINC000071333467	562719498	/nfs/dbraw/zinc/71/94/98/562719498.db2.gz	OYUAJBWWEBLIOG-QFIPXVFZSA-N	0	0	501.649	2.639	1	0		KFAFRN
C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(N2CCCCC2)n1)c1ccc(-n2cccn2)cc1	ZINC000071333745	562719501	/nfs/dbraw/zinc/71/95/01/562719501.db2.gz	PXCHESJMUGWIGT-RKNIQEAPSA-N	0	0	538.674	2.582	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2nccs2)s1	ZINC000071333908	562719477	/nfs/dbraw/zinc/71/94/77/562719477.db2.gz	UHOWMAXXCAHFSD-YPAWHYETSA-N	0	0	525.656	2.613	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2nccs2)s1	ZINC000071333917	562719489	/nfs/dbraw/zinc/71/94/89/562719489.db2.gz	UHOWMAXXCAHFSD-BHDDXSALSA-N	0	0	525.656	2.613	1	0		KFAFRN
CNc1nc([C@H]2c3ccc(F)cc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1	ZINC000071340427	562719727	/nfs/dbraw/zinc/71/97/27/562719727.db2.gz	WFIQWYDIJVTQMA-DVSNZQAGSA-N	0	0	550.616	2.540	1	0		KFAFRN
O=C(C(=O)N1CCOCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)c2ccccc12	ZINC000071340496	562719791	/nfs/dbraw/zinc/71/97/91/562719791.db2.gz	ROPBFJMRDPCQHC-UHFFFAOYSA-N	0	0	556.619	2.769	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccnc2)s1	ZINC000071340681	562719821	/nfs/dbraw/zinc/71/98/21/562719821.db2.gz	VLPUVRSYGZOYBD-QLBJFCOMSA-N	0	0	519.627	2.551	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2cccnc2)s1	ZINC000071340682	562719808	/nfs/dbraw/zinc/71/98/08/562719808.db2.gz	VLPUVRSYGZOYBD-ICDZXHCJSA-N	0	0	519.627	2.551	1	0		KFAFRN
CC(=O)NCC(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)CC1)CC(C)(C)CC3=O	ZINC000071340807	562719845	/nfs/dbraw/zinc/71/98/45/562719845.db2.gz	QLEIIRKTWKTGEP-INIZCTEOSA-N	0	0	507.635	2.751	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccncc2)s1	ZINC000071341138	562719897	/nfs/dbraw/zinc/71/98/97/562719897.db2.gz	CYDLJEATMMSHLH-QLBJFCOMSA-N	0	0	519.627	2.551	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2ccncc2)s1	ZINC000071341139	562719877	/nfs/dbraw/zinc/71/98/77/562719877.db2.gz	CYDLJEATMMSHLH-ICDZXHCJSA-N	0	0	519.627	2.551	1	0		KFAFRN
CC(=O)NCCN1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)C1=O)CC(C)(C)CC3=O	ZINC000071341171	562719908	/nfs/dbraw/zinc/71/99/08/562719908.db2.gz	XVXZIRQFQQHHRV-KRWDZBQOSA-N	0	0	507.635	2.751	1	0		KFAFRN
C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CCC2)n1)c1ccc(-n2cccn2)cc1	ZINC000071341271	562719942	/nfs/dbraw/zinc/71/99/42/562719942.db2.gz	RIKDCTFOLNLMSX-HKDUHGGJSA-N	0	0	524.647	2.556	1	0		KFAFRN
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2	ZINC000071341295	562719935	/nfs/dbraw/zinc/71/99/35/562719935.db2.gz	LWPLUEZJXCPLQV-GGGCIOHNSA-N	0	0	570.646	2.963	1	0		KFAFRN
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2	ZINC000071341296	562719914	/nfs/dbraw/zinc/71/99/14/562719914.db2.gz	LWPLUEZJXCPLQV-PNRQCZBRSA-N	0	0	570.646	2.963	1	0		KFAFRN
CC(=O)NCCN1CC[C@H](C)Nc2cc(ccc2C(N)=O)-n2c3c(c(C)c2CC1=O)C(=O)CC(C)(C)C3	ZINC000071341349	562719931	/nfs/dbraw/zinc/71/99/31/562719931.db2.gz	DNXVBMCDYDDWGK-INIZCTEOSA-N	0	0	507.635	2.751	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccn2)s1	ZINC000071341405	562719968	/nfs/dbraw/zinc/71/99/68/562719968.db2.gz	VUWGWIHIMXGVLJ-QLBJFCOMSA-N	0	0	519.627	2.551	1	0		KFAFRN
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2ccccn2)s1	ZINC000071341406	562719963	/nfs/dbraw/zinc/71/99/63/562719963.db2.gz	VUWGWIHIMXGVLJ-ICDZXHCJSA-N	0	0	519.627	2.551	1	0		KFAFRN
CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C2CC2)s1	ZINC000071341453	562719979	/nfs/dbraw/zinc/71/99/79/562719979.db2.gz	RBUWEWRCEBYIGA-BDRMCPCVSA-N	0	0	524.647	2.511	1	0		KFAFRN
CNc1nc([C@H]2c3cc(F)ccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1	ZINC000071341474	562719956	/nfs/dbraw/zinc/71/99/56/562719956.db2.gz	BPGLVRHHHRCXIG-DVSNZQAGSA-N	0	0	550.616	2.540	1	0		KFAFRN
C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(Nc2cccnc2)n1)c1ccc(-n2cccn2)cc1	ZINC000071341871	562720044	/nfs/dbraw/zinc/72/00/44/562720044.db2.gz	ZAHVPBWMKQVFIS-SFUZCSOBSA-N	0	0	547.641	2.730	1	0		KFAFRN
CCOCCOc1c(=O)n(-c2ccccc2)nc(C)c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000071418542	562720219	/nfs/dbraw/zinc/72/02/19/562720219.db2.gz	JQOOHBVBURATRC-UHFFFAOYSA-N	0	0	512.632	2.608	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)c4cc(C)nn4C)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000072104575	562720495	/nfs/dbraw/zinc/72/04/95/562720495.db2.gz	BFQNWOXYANJSQB-FXABVQRQSA-N	0	0	599.710	2.530	1	0		KFAFRN
O=C1[N-]C(=O)N(Cc2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O	ZINC000072104634	562720577	/nfs/dbraw/zinc/72/05/77/562720577.db2.gz	MKLXSINHBJIRJU-SANMLTNESA-N	0	0	541.645	2.686	1	0		KFAFRN
[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000072105278	562720777	/nfs/dbraw/zinc/72/07/77/562720777.db2.gz	ZUSHHEHXQDVGJX-KCHLEUMXSA-N	0	0	553.615	2.864	1	0		KFAFRN
N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)C1)C(=O)N1Cc2ccccc2C1	ZINC000072105558	562720869	/nfs/dbraw/zinc/72/08/69/562720869.db2.gz	OAHYRHSFXIZCMG-VWLOTQADSA-N	0	0	518.564	2.985	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)Cc2cn(CCCC3CC[NH2+]CC3)c3ccccc23)C(=O)[O-])cc1	ZINC000072106074	562720910	/nfs/dbraw/zinc/72/09/10/562720910.db2.gz	YTEXIDBQWRZDMI-VWLOTQADSA-N	0	0	540.686	2.820	1	0		KFAFRN
CC(C)C(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	ZINC000072107617	562721335	/nfs/dbraw/zinc/72/13/35/562721335.db2.gz	NFYBBQPWNYTXRD-RUZDIDTESA-N	0	0	502.541	3.000	1	0		KFAFRN
CC(C)C(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	ZINC000072107618	562721316	/nfs/dbraw/zinc/72/13/16/562721316.db2.gz	NFYBBQPWNYTXRD-VWLOTQADSA-N	0	0	502.541	3.000	1	0		KFAFRN
O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)C(F)(F)F	ZINC000072107838	562721365	/nfs/dbraw/zinc/72/13/65/562721365.db2.gz	YDOZMRJIGFBSLC-JOCHJYFZSA-N	0	0	528.457	2.906	1	0		KFAFRN
O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)C(F)(F)F	ZINC000072107839	562721362	/nfs/dbraw/zinc/72/13/62/562721362.db2.gz	YDOZMRJIGFBSLC-QFIPXVFZSA-N	0	0	528.457	2.906	1	0		KFAFRN
CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccccc3I)c(=O)n12	ZINC000072108434	562721432	/nfs/dbraw/zinc/72/14/32/562721432.db2.gz	POKHMNBYCJFTTP-GOSISDBHSA-N	0	0	503.296	2.811	1	0		KFAFRN
CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccccc3I)c(=O)n12	ZINC000072108435	562721457	/nfs/dbraw/zinc/72/14/57/562721457.db2.gz	POKHMNBYCJFTTP-SFHVURJKSA-N	0	0	503.296	2.811	1	0		KFAFRN
O=C(OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1)c1ccccc1I	ZINC000072108656	562721440	/nfs/dbraw/zinc/72/14/40/562721440.db2.gz	OLICBWOLTLCMGD-WOJBJXKFSA-N	0	0	521.355	2.747	1	0		KFAFRN
O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1)C(F)(F)F	ZINC000072109905	562721666	/nfs/dbraw/zinc/72/16/66/562721666.db2.gz	JUHUFFABVGRKEJ-JOCHJYFZSA-N	0	0	510.467	2.767	1	0		KFAFRN
O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1)C(F)(F)F	ZINC000072109906	562721637	/nfs/dbraw/zinc/72/16/37/562721637.db2.gz	JUHUFFABVGRKEJ-QFIPXVFZSA-N	0	0	510.467	2.767	1	0		KFAFRN
COc1cccc(N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c2cccc(OC)c2)c1	ZINC000072111464	562721980	/nfs/dbraw/zinc/72/19/80/562721980.db2.gz	UYOBDANEOAVGCG-UHFFFAOYSA-N	0	0	526.634	2.903	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OCC(=O)[C@H]3C2)cc1	ZINC000072112973	562722254	/nfs/dbraw/zinc/72/22/54/562722254.db2.gz	IHIYGFKADOCHGS-HOZVGSINSA-N	0	0	574.696	2.787	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccc(CN2CCOCC2)cc1	ZINC000072112984	562722233	/nfs/dbraw/zinc/72/22/33/562722233.db2.gz	PFMDKARRSHEOCF-NSOVKSMOSA-N	0	0	501.627	2.580	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OC[C@H](O)[C@H]3C2)cc1	ZINC000072113044	562722257	/nfs/dbraw/zinc/72/22/57/562722257.db2.gz	LJPOEDMTSRUIGG-RVSUYJHDSA-N	0	0	576.712	2.579	1	0	in-vitro	KFAFRN
CC[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O	ZINC000072113057	562722252	/nfs/dbraw/zinc/72/22/52/562722252.db2.gz	IQVHPGCBQDUAGL-MLGFICBISA-N	0	0	534.690	2.846	1	0		KFAFRN
CCCc1nc(C(C)(C)O)c(C(=O)OCc2c[nH]c(=O)[nH]c2=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000072113194	562722290	/nfs/dbraw/zinc/72/22/90/562722290.db2.gz	VMYPFPKQZMIULJ-UHFFFAOYSA-N	0	0	570.610	2.692	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CN2CCCC2)cc1	ZINC000072113366	562722303	/nfs/dbraw/zinc/72/23/03/562722303.db2.gz	XISTYRGCYMATJS-NSOVKSMOSA-N	0	0	556.663	2.963	1	0		KFAFRN
CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)[C@H](c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C	ZINC000072113998	562722598	/nfs/dbraw/zinc/72/25/98/562722598.db2.gz	BXMWIRLJJNVREQ-ORYMTKCHSA-N	0	0	650.798	3.000	1	0		KFAFRN
CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)[C@@H](c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C	ZINC000072113999	562722572	/nfs/dbraw/zinc/72/25/72/562722572.db2.gz	BXMWIRLJJNVREQ-XHPANXIASA-N	0	0	650.798	3.000	1	0		KFAFRN
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1	ZINC000072114168	562722634	/nfs/dbraw/zinc/72/26/34/562722634.db2.gz	GYIJMPJQYVRGKL-DQEYMECFSA-N	0	0	503.555	2.592	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OC[C@@H](O)[C@H]3C2)cc1	ZINC000072114219	562722669	/nfs/dbraw/zinc/72/26/69/562722669.db2.gz	LJPOEDMTSRUIGG-VCXIZWHYSA-N	0	0	576.712	2.579	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nc5ccccc5c(=O)[nH]4)cc3)CC2)cc1	ZINC000072114480	562722724	/nfs/dbraw/zinc/72/27/24/562722724.db2.gz	LROSNRXWBMVQCQ-UHFFFAOYSA-N	0	0	504.568	2.745	1	0		KFAFRN
Cc1c2c(c(C)n1-c1ccccc1)c(=O)n(CCN1CCN(Cc3ccc4c(c3)OCO4)CC1)[nH]c2=O	ZINC000072114554	562722753	/nfs/dbraw/zinc/72/27/53/562722753.db2.gz	DYFWLNSKORKPJF-UHFFFAOYSA-N	0	0	501.587	2.644	1	0		KFAFRN
COc1ccc(CN2CCN(CCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3ccsc3)CC2)c(OC)c1OC	ZINC000072114723	562722776	/nfs/dbraw/zinc/72/27/76/562722776.db2.gz	GDOXGNMBTADPHG-UHFFFAOYSA-N	0	0	596.710	2.846	1	0		KFAFRN
COc1ccc(CN2CCN(CCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3cccs3)CC2)c(OC)c1OC	ZINC000072115043	562722883	/nfs/dbraw/zinc/72/28/83/562722883.db2.gz	DJNNIAKTOAOWIO-UHFFFAOYSA-N	0	0	596.710	2.846	1	0		KFAFRN
COCCO[C@@H]1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C(C)C)COCc2cccc1c2	ZINC000072115281	562722923	/nfs/dbraw/zinc/72/29/23/562722923.db2.gz	PVPCBXKRPVESEX-DCMQHHMNSA-N	0	0	690.860	2.598	1	0		KFAFRN
COCCO[C@H]1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C(C)C)COCc2cccc1c2	ZINC000072115282	562722910	/nfs/dbraw/zinc/72/29/10/562722910.db2.gz	PVPCBXKRPVESEX-YUAOJYLXSA-N	0	0	690.860	2.598	1	0		KFAFRN
O[C@@H]1[C@@H](O)[C@H]2O[C@H](COCCCCCOc3cc(Cl)c(Cc4ccc5c(c4)OCCO5)cc32)[C@H]1O	ZINC000072116348	562723064	/nfs/dbraw/zinc/72/30/64/562723064.db2.gz	IGSIKVWEKSFVBY-RTJMFUJLSA-N	0	0	506.979	2.804	1	0		KFAFRN
COc1ccc(C(=O)Nc2cc(C(=O)NC(=N)N)ccc2OCCN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1	ZINC000072116360	562723078	/nfs/dbraw/zinc/72/30/78/562723078.db2.gz	VKQUNAQDPJXNJU-UHFFFAOYSA-N	0	0	620.707	2.793	1	0		KFAFRN
CCS(=O)(=O)N1CCN(C(=O)CCc2cc(-c3ccc(C)cc3)n(-c3ccc(Cl)nn3)n2)CC1	ZINC000072116541	562723173	/nfs/dbraw/zinc/72/31/73/562723173.db2.gz	PVZHAMGYBRGIKC-UHFFFAOYSA-N	0	0	503.028	2.718	1	0		KFAFRN
[NH3+][C@@H](CO)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1	ZINC000072116719	562723206	/nfs/dbraw/zinc/72/32/06/562723206.db2.gz	GHZNIMNVSJZCGB-GMAHTHKFSA-N	0	0	525.989	2.993	1	0		KFAFRN
C[C@@H](O)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1	ZINC000072116742	562723217	/nfs/dbraw/zinc/72/32/17/562723217.db2.gz	VXVBEBMHFTZKFR-DPQOWFAMSA-N	0	0	505.571	2.728	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc(OC)cc2)c(OCc2c[nH]cn2)c1)C(=O)[O-]	ZINC000072116866	562723276	/nfs/dbraw/zinc/72/32/76/562723276.db2.gz	USRJEESXVJIVGS-SWDVRCMSSA-N	0	0	523.590	2.735	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](O)C[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccoc1)[C@H]3OC(=O)c1ccccc1	ZINC000072116922	562723309	/nfs/dbraw/zinc/72/33/09/562723309.db2.gz	YIZPOSDEFGHZMH-NNTMNUMBSA-N	0	0	600.617	2.595	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CN(C)C)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000072117154	562723325	/nfs/dbraw/zinc/72/33/25/562723325.db2.gz	CIDCFGOHKTUTIM-LVEBQJTPSA-N	0	0	522.558	2.618	1	0		KFAFRN
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nc5ccccc5c(=O)n4C)cc3)CC2)cc1	ZINC000072118168	562723473	/nfs/dbraw/zinc/72/34/73/562723473.db2.gz	ZHNNXXHAGCFEEA-UHFFFAOYSA-N	0	0	518.595	2.756	1	0		KFAFRN
O=C(CCc1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000072118420	562723547	/nfs/dbraw/zinc/72/35/47/562723547.db2.gz	QQIHABCYQWNSEJ-NRFANRHFSA-N	0	0	512.973	2.904	1	0		KFAFRN
O=C(CCc1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000072118421	562723556	/nfs/dbraw/zinc/72/35/56/562723556.db2.gz	QQIHABCYQWNSEJ-OAQYLSRUSA-N	0	0	512.973	2.904	1	0		KFAFRN
CCOC(=O)c1cnnn1[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3	ZINC000072118994	562723771	/nfs/dbraw/zinc/72/37/71/562723771.db2.gz	SVSHITKJPFCDRQ-CPUMGYLUSA-N	0	0	537.525	2.733	1	0		KFAFRN
CCOC(=O)c1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1	ZINC000072119599	562723810	/nfs/dbraw/zinc/72/38/10/562723810.db2.gz	AYHUOFRIHUUTSR-CPUMGYLUSA-N	0	0	537.525	2.733	1	0		KFAFRN
COc1cc(C(=C2O[C@@H]([C@H](O)CO)[C@H]3OC(C)(C)O[C@@H]23)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000072119757	562723868	/nfs/dbraw/zinc/72/38/68/562723868.db2.gz	IOECVDABJHOSFT-YNAVAEDRSA-N	0	0	548.585	2.770	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccoc1)[C@H]3OC(=O)c1ccoc1	ZINC000072120072	562723965	/nfs/dbraw/zinc/72/39/65/562723965.db2.gz	FBFCHVYQDYUGKU-NNTMNUMBSA-N	0	0	632.615	2.759	1	0		KFAFRN
CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])[C@@H](C)O	ZINC000072120367	562724051	/nfs/dbraw/zinc/72/40/51/562724051.db2.gz	VHCMRKUBQMGVBD-LAMXGVLKSA-N	0	0	507.587	2.947	1	0		KFAFRN
NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CCN(Cc5cnn(CC(=O)NCCO)c5)CC4)ncc3Cl)cc1-2	ZINC000072123625	562724782	/nfs/dbraw/zinc/72/47/82/562724782.db2.gz	GPBZNMXCLBDNJG-UHFFFAOYSA-N	0	0	727.201	2.804	1	0		KFAFRN
C/C(=C\COc1c2ccoc2cc2oc(=O)ccc21)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC[C@H]1O[C@@H](OC(C)C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	ZINC000072123799	562725047	/nfs/dbraw/zinc/72/50/47/562725047.db2.gz	UBQMQNATXUCNPX-MMPWFIGPSA-N	0	0	720.765	2.634	1	0		KFAFRN
C/C(=C\COc1c2ccoc2cc2oc(=O)ccc21)CC[C@@H](OC(=O)C[C@](C)(O)CC(=O)OC[C@H]1O[C@@H](OC(C)C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	ZINC000072123800	562724999	/nfs/dbraw/zinc/72/49/99/562724999.db2.gz	UBQMQNATXUCNPX-WOASMPEISA-N	0	0	720.765	2.634	1	0		KFAFRN
CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])CC(=O)[O-])C(C)C)O4)c(=O)nc3o2)cc1	ZINC000072127011	562725541	/nfs/dbraw/zinc/72/55/41/562725541.db2.gz	QINBMCWQZZZVLA-BCDKLJSHSA-N	0	0	709.797	2.515	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)NC(C)C)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000072128528	562726069	/nfs/dbraw/zinc/72/60/69/562726069.db2.gz	GGWAZUBPGIHOMD-IMWIBFENSA-N	0	0	562.689	2.766	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2c(C)noc2C)C3=N1	ZINC000072128615	562726148	/nfs/dbraw/zinc/72/61/48/562726148.db2.gz	JQGFPQPWGDXCRR-XHTHIGMCSA-N	0	0	634.667	2.566	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C3=N1	ZINC000072128631	562726103	/nfs/dbraw/zinc/72/61/03/562726103.db2.gz	KIVSTUBRPBRKSS-RESPRDEJSA-N	0	0	645.690	2.970	1	0		KFAFRN
[NH3+]CCCC[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000072128654	562726198	/nfs/dbraw/zinc/72/61/98/562726198.db2.gz	YTUKKNJRUDSNEG-YRCZKMHPSA-N	0	0	677.806	2.817	1	0		KFAFRN
CNC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)cn1	ZINC000072131697	562726790	/nfs/dbraw/zinc/72/67/90/562726790.db2.gz	CHMGBVVGADXKDR-NRFANRHFSA-N	0	0	662.569	2.829	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2c(SCc3cc4cc(Br)cc(Br)c4oc3=O)nc3cncnc32)[C@H](O)[C@@H]1O	ZINC000072131719	562726805	/nfs/dbraw/zinc/72/68/05/562726805.db2.gz	ZDJCIVVGOQINHO-WOCWXWTJSA-N	0	0	642.282	2.932	1	0		KFAFRN
CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nn1	ZINC000072132821	562726894	/nfs/dbraw/zinc/72/68/94/562726894.db2.gz	TZPNSPGOMGGZCO-OAQYLSRUSA-N	0	0	662.569	2.829	1	0		KFAFRN
CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nn1	ZINC000072132823	562726930	/nfs/dbraw/zinc/72/69/30/562726930.db2.gz	TZPNSPGOMGGZCO-NRFANRHFSA-N	0	0	662.569	2.829	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cccc(S(C)(=O)=O)c3)C(=O)O2)cc1	ZINC000072136360	562727884	/nfs/dbraw/zinc/72/78/84/562727884.db2.gz	VRSZQZBCURLPDK-JBOQNHBVSA-N	0	0	673.810	2.859	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000072136361	562727875	/nfs/dbraw/zinc/72/78/75/562727875.db2.gz	GHXLKBYGQUFVHA-DURBRWELSA-N	0	0	687.793	2.579	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000072136519	562728009	/nfs/dbraw/zinc/72/80/09/562728009.db2.gz	YEICQUMNJMDEOD-GOHWNWGWSA-N	0	0	582.679	2.883	1	0		KFAFRN
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)C(=O)N4CCN(C)CC4)cc23)n[nH]1	ZINC000072142658	562729562	/nfs/dbraw/zinc/72/95/62/562729562.db2.gz	SCMPDMAJYNSKMW-UHFFFAOYSA-N	0	0	574.671	2.717	1	0		KFAFRN
[NH3+][C@@H](Cc1ccccc1)C(=O)NCCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000072147598	562729757	/nfs/dbraw/zinc/72/97/57/562729757.db2.gz	CLCRNRBFJJXODC-AFEGWXKPSA-N	0	0	693.801	2.851	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc4c(c2)OCCN4C)C3=N1	ZINC000072152729	562730141	/nfs/dbraw/zinc/73/01/41/562730141.db2.gz	MGGKMNXZGCRASH-LRVQLPGGSA-N	0	0	686.743	2.790	1	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCN4CNCC4=O)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000072157046	562730176	/nfs/dbraw/zinc/73/01/76/562730176.db2.gz	IAWCIZMYOBXATM-IQGXZWDMSA-N	0	0	639.753	2.688	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=O)OCc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O	ZINC000072170147	562730263	/nfs/dbraw/zinc/73/02/63/562730263.db2.gz	WXSKLPKUSBRUIP-AGGIAQGOSA-N	0	0	736.911	2.827	1	0		KFAFRN
COc1nc2c(ncn2CCCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c(N)n1	ZINC000072170265	562730315	/nfs/dbraw/zinc/73/03/15/562730315.db2.gz	LMZPTXHQVRKQEC-DQEYMECFSA-N	0	0	644.733	2.561	1	0		KFAFRN
COc1nc2c(ncn2CCCNC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c(N)n1	ZINC000072170268	562730322	/nfs/dbraw/zinc/73/03/22/562730322.db2.gz	LMZPTXHQVRKQEC-RPBOFIJWSA-N	0	0	644.733	2.561	1	0		KFAFRN
O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1cccs1	ZINC000072171087	562730504	/nfs/dbraw/zinc/73/05/04/562730504.db2.gz	SOJWQWNQMZRIQG-DEOSSOPVSA-N	0	0	523.525	2.806	1	0		KFAFRN
O=C(Nc1ccc(-n2cnn(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1cccs1	ZINC000072171088	562730485	/nfs/dbraw/zinc/73/04/85/562730485.db2.gz	SOJWQWNQMZRIQG-XMMPIXPASA-N	0	0	523.525	2.806	1	0		KFAFRN
COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5O[C@H](CO)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1	ZINC000072172059	562730611	/nfs/dbraw/zinc/73/06/11/562730611.db2.gz	WJEQNRHELIBAMJ-FTDRDSLASA-N	0	0	593.585	2.946	1	0		KFAFRN
COc1cc(C=O)cc2c1O[C@@H](c1cc(OC)c(O[C@H](CO)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c1)[C@@H]2CO	ZINC000072172188	562730682	/nfs/dbraw/zinc/73/06/82/562730682.db2.gz	HSGQUCFRADTCMJ-WXYGLEJPSA-N	0	0	556.564	2.922	1	0	in-vitro	KFAFRN
COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1	ZINC000072173606	562731067	/nfs/dbraw/zinc/73/10/67/562731067.db2.gz	HNIJEISPKOYRAL-MSOLQXFVSA-N	0	0	511.048	2.991	1	0		KFAFRN
COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1	ZINC000072173607	562731052	/nfs/dbraw/zinc/73/10/52/562731052.db2.gz	HNIJEISPKOYRAL-QZTJIDSGSA-N	0	0	511.048	2.991	1	0		KFAFRN
CCOC(=O)N1CCN(c2cc3nc([S@@](=O)Cc4nccc(OC)c4OC)[nH]c3cc2NC(C)=O)CC1	ZINC000072174375	562731091	/nfs/dbraw/zinc/73/10/91/562731091.db2.gz	PVQFWDRYFLBSPS-DIPNUNPCSA-N	0	0	530.607	2.520	1	0		KFAFRN
CCOC(=O)N1CCN(c2cc3nc([S@](=O)Cc4nccc(OC)c4OC)[nH]c3cc2NC(C)=O)CC1	ZINC000072174376	562731112	/nfs/dbraw/zinc/73/11/12/562731112.db2.gz	PVQFWDRYFLBSPS-QNGWXLTQSA-N	0	0	530.607	2.520	1	0		KFAFRN
CCOC(=O)N1CCN(c2cc3nc([S@@](=O)Cc4nccc(OC)c4OC)[nH]c3cc2NC(=O)C2CC2)CC1	ZINC000072174377	562731081	/nfs/dbraw/zinc/73/10/81/562731081.db2.gz	SUUSFDQHQKOKPV-LDLOPFEMSA-N	0	0	556.645	2.910	1	0		KFAFRN
CCOC(=O)N1CCN(c2cc3nc([S@](=O)Cc4nccc(OC)c4OC)[nH]c3cc2NC(=O)C2CC2)CC1	ZINC000072174378	562731108	/nfs/dbraw/zinc/73/11/08/562731108.db2.gz	SUUSFDQHQKOKPV-KDXMTYKHSA-N	0	0	556.645	2.910	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H](O)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C	ZINC000072174407	562731116	/nfs/dbraw/zinc/73/11/16/562731116.db2.gz	XZOJCOGTVAZOMJ-DQFAEUCBSA-N	0	0	594.657	2.829	1	0		KFAFRN
COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1	ZINC000072174409	562731120	/nfs/dbraw/zinc/73/11/20/562731120.db2.gz	HNIJEISPKOYRAL-ROUUACIJSA-N	0	0	511.048	2.991	1	0		KFAFRN
[NH3+][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	562731444	/nfs/dbraw/zinc/73/14/44/562731444.db2.gz	QGVKWBPYHATPQZ-FMYROPPKSA-N	0	0	595.656	2.949	1	0		KFAFRN
Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCN(CCO)CC2)n1	ZINC000072176144	562731500	/nfs/dbraw/zinc/73/15/00/562731500.db2.gz	XOXLQQMYDRDXNU-UHFFFAOYSA-N	0	0	534.646	2.834	1	0		KFAFRN
C[C@@H]1CC[C@H](NC(=O)[C@@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1	ZINC000072176529	562731655	/nfs/dbraw/zinc/73/16/55/562731655.db2.gz	GIQMZBQRQSROHM-HSALFYBXSA-N	0	0	530.647	2.671	1	0		KFAFRN
C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1	ZINC000072176680	562731679	/nfs/dbraw/zinc/73/16/79/562731679.db2.gz	ROFMAUJRSYVSKK-GIVPXCGWSA-N	0	0	530.647	2.671	1	0		KFAFRN
CC1CCC(C[C@H](NC(=O)c2ccco2)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)CC2=O)CC1	ZINC000072176681	562731669	/nfs/dbraw/zinc/73/16/69/562731669.db2.gz	UWIUSTCLSVVZSO-WHVLVZFFSA-N	0	0	544.674	2.917	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000072177118	562731723	/nfs/dbraw/zinc/73/17/23/562731723.db2.gz	YDEQWFXTTCWNIT-RLRVUINOSA-N	0	0	707.361	2.960	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000072177119	562731731	/nfs/dbraw/zinc/73/17/31/562731731.db2.gz	YDEQWFXTTCWNIT-PBCVQOGKSA-N	0	0	707.361	2.960	1	0		KFAFRN
O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1ccc(F)cc1	ZINC000072177178	562731759	/nfs/dbraw/zinc/73/17/59/562731759.db2.gz	VGUSITNRPHUMPM-SANMLTNESA-N	0	0	535.486	2.883	1	0		KFAFRN
CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(O[C@H]5CCOC5)nc(N5CCOCC5)n4)cc3)cc2)CC1	ZINC000072178238	562731993	/nfs/dbraw/zinc/73/19/93/562731993.db2.gz	IXMCVAWUFQXLOS-VWLOTQADSA-N	0	0	588.669	2.575	1	0		KFAFRN
O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1ccccc1F	ZINC000072178524	562732057	/nfs/dbraw/zinc/73/20/57/562732057.db2.gz	CXNURLQJZJTMLH-SANMLTNESA-N	0	0	535.486	2.883	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O)Oc1cccc2ccccc21	ZINC000072178570	562732126	/nfs/dbraw/zinc/73/21/26/562732126.db2.gz	UDQFVNSVUSDUEH-BWAVZRILSA-N	0	0	681.323	2.543	1	0		KFAFRN
COc1ccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)cc1	ZINC000072178676	562732110	/nfs/dbraw/zinc/73/21/10/562732110.db2.gz	MQZGGXKLTZLOFP-MHZLTWQESA-N	0	0	547.522	2.753	1	0		KFAFRN
COc1cccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)c1	ZINC000072178677	562732133	/nfs/dbraw/zinc/73/21/33/562732133.db2.gz	YARKPUVORANSOO-MHZLTWQESA-N	0	0	547.522	2.753	1	0		KFAFRN
C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1	ZINC000072178838	562732174	/nfs/dbraw/zinc/73/21/74/562732174.db2.gz	GIQMZBQRQSROHM-AABGKKOBSA-N	0	0	530.647	2.671	1	0		KFAFRN
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1	ZINC000072182217	562732867	/nfs/dbraw/zinc/73/28/67/562732867.db2.gz	LDNQAJNFIYSIHK-UHFFFAOYSA-N	0	0	514.656	2.958	1	0		KFAFRN
CCC/C=C\c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(CCOCOC)nn3)CCS2(=O)=O)cc1	ZINC000073105783	562733304	/nfs/dbraw/zinc/73/33/04/562733304.db2.gz	VRRWYDBMLCABBC-CNXHMKESSA-N	0	0	533.695	2.911	1	0		KFAFRN
CO[N-]C(=O)Cn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1cccc2F	ZINC000073139918	562733565	/nfs/dbraw/zinc/73/35/65/562733565.db2.gz	SPERKZDVLBCHIJ-WINIVTDRSA-N	0	0	530.547	2.725	1	0		KFAFRN
NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1	ZINC000073140627	562733685	/nfs/dbraw/zinc/73/36/85/562733685.db2.gz	ZYPQRPZKSCKVIW-UHFFFAOYSA-N	0	0	502.911	2.843	1	0		KFAFRN
CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O	ZINC000073142052	562733736	/nfs/dbraw/zinc/73/37/36/562733736.db2.gz	ZIWNXCOMNBPCJZ-RCXJIHSJSA-N	0	0	522.690	2.707	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@H](C(N)=O)C(C)C	ZINC000073142091	562733780	/nfs/dbraw/zinc/73/37/80/562733780.db2.gz	BQEFVULRGZRONK-ABDYDURRSA-N	0	0	526.542	2.508	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000073142093	562733776	/nfs/dbraw/zinc/73/37/76/562733776.db2.gz	LLJROCKXUOBYPO-OQMVOFQNSA-N	0	0	540.569	2.898	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)Oc1c(OC)cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC)C(N)=O	ZINC000073157106	562733864	/nfs/dbraw/zinc/73/38/64/562733864.db2.gz	BZPHRYJOQKGGLE-IVNZZQMKSA-N	0	0	540.569	2.898	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](CCSC)C(N)=O	ZINC000073157110	562733881	/nfs/dbraw/zinc/73/38/81/562733881.db2.gz	UMCGSZUGZPOVQS-MPTJYUOQSA-N	0	0	558.609	2.605	1	0		KFAFRN
CC(C)(C)c1ccc(-n2cnn(CCCN3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1	ZINC000073158923	562733940	/nfs/dbraw/zinc/73/39/40/562733940.db2.gz	LLJJIRJVGFZXNY-SSEXGKCCSA-N	0	0	580.684	2.797	1	0		KFAFRN
CC(C)(C)c1ccc(-n2cnn(CCCN3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1	ZINC000073158935	562733934	/nfs/dbraw/zinc/73/39/34/562733934.db2.gz	LLJJIRJVGFZXNY-PMERELPUSA-N	0	0	580.684	2.797	1	0		KFAFRN
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O	ZINC000073161747	562734123	/nfs/dbraw/zinc/73/41/23/562734123.db2.gz	TUFREBLXGZQYFP-DJCWJLACSA-N	0	0	522.690	2.707	1	0		KFAFRN
CC(C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O	ZINC000073163501	562734241	/nfs/dbraw/zinc/73/42/41/562734241.db2.gz	XGOUIBKZLDCMGX-SUNQPCDNSA-N	0	0	540.680	2.844	1	0		KFAFRN
O=C([O-])CN1C(=O)N(CCCCN2CCCN3CCC[NH+]=C23)C(c2ccccc2)(c2ccccc2)C1=O	ZINC000073164251	562734257	/nfs/dbraw/zinc/73/42/57/562734257.db2.gz	ZFXSQDMWRRKDKA-UHFFFAOYSA-N	0	0	503.603	2.827	1	0		KFAFRN
COC(=O)C1=C2CC[C@H](C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)[C@H](NC(C)=O)C1	ZINC000073165630	562734461	/nfs/dbraw/zinc/73/44/61/562734461.db2.gz	USCBMUJHCSEWHX-YIKNKFAXSA-N	0	0	599.688	2.570	1	0		KFAFRN
COC(=O)C1=C2CC[C@H](C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)[C@@H](NC(C)=O)C1	ZINC000073165634	562734444	/nfs/dbraw/zinc/73/44/44/562734444.db2.gz	USCBMUJHCSEWHX-HPUNYJORSA-N	0	0	599.688	2.570	1	0		KFAFRN
COC(=O)C1=C2CC[C@@H](C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)[C@H](NC(C)=O)C1	ZINC000073165641	562734423	/nfs/dbraw/zinc/73/44/23/562734423.db2.gz	USCBMUJHCSEWHX-GKRYNVPLSA-N	0	0	599.688	2.570	1	0		KFAFRN
COC(=O)C1=C2CC[C@@H](C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)[C@@H](NC(C)=O)C1	ZINC000073165643	562734429	/nfs/dbraw/zinc/73/44/29/562734429.db2.gz	USCBMUJHCSEWHX-YCVJPRETSA-N	0	0	599.688	2.570	1	0		KFAFRN
CCC[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O	ZINC000073166172	562734467	/nfs/dbraw/zinc/73/44/67/562734467.db2.gz	QSWZCBJMPATZGX-YTFNCPKPSA-N	0	0	540.680	2.988	1	0		KFAFRN
CCOC(=O)N1CCN(CCCCN2C(=O)N(CC(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1	ZINC000073167114	562734513	/nfs/dbraw/zinc/73/45/13/562734513.db2.gz	UAVFAIQRQUZPBD-UHFFFAOYSA-N	0	0	536.629	2.922	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@H](CCSC)C(N)=O	ZINC000073167170	562734525	/nfs/dbraw/zinc/73/45/25/562734525.db2.gz	UMCGSZUGZPOVQS-LSQVQBOPSA-N	0	0	558.609	2.605	1	0		KFAFRN
O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1CCCN1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000073167505	562734579	/nfs/dbraw/zinc/73/45/79/562734579.db2.gz	UZTFWCMEJZRQKF-AREMUKBSSA-N	0	0	593.466	2.806	1	0		KFAFRN
O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1CCCN1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000073167508	562734591	/nfs/dbraw/zinc/73/45/91/562734591.db2.gz	UZTFWCMEJZRQKF-SANMLTNESA-N	0	0	593.466	2.806	1	0		KFAFRN
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC(C)(C)CN[C@@H](C2CC2)C(=O)N1C	ZINC000073169494	562734817	/nfs/dbraw/zinc/73/48/17/562734817.db2.gz	ZMOMZJDEWSTKIL-WMBPSLEXSA-N	0	0	552.691	2.988	1	0		KFAFRN
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@@H](CN[C@@H](C2CC2)C(=O)N1C)CC3	ZINC000073169497	562734820	/nfs/dbraw/zinc/73/48/20/562734820.db2.gz	WUOSQYXJIXLPTP-LBHSSTRISA-N	0	0	550.675	2.524	1	0		KFAFRN
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CN[C@@H](C2CC2)C(=O)N1C)CC3	ZINC000073169499	562734806	/nfs/dbraw/zinc/73/48/06/562734806.db2.gz	WUOSQYXJIXLPTP-ABXDHCHGSA-N	0	0	550.675	2.524	1	0		KFAFRN
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2O1	ZINC000073170179	562734915	/nfs/dbraw/zinc/73/49/15/562734915.db2.gz	IEAUXEJFKGIBRN-IFGWQFMBSA-N	0	0	556.654	2.737	1	0		KFAFRN
CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O	ZINC000073195863	562734997	/nfs/dbraw/zinc/73/49/97/562734997.db2.gz	ATPVOAOEYSJDIH-BKNUMKMGSA-N	0	0	506.691	2.870	1	0		KFAFRN
Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F	ZINC000073196221	562735083	/nfs/dbraw/zinc/73/50/83/562735083.db2.gz	JUOIJNCKYQXFOF-BJYFBGGTSA-N	0	0	552.691	2.906	1	0		KFAFRN
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC[C@H](C)N[C@@H](C2CC2)C(=O)N1C	ZINC000073196234	562735072	/nfs/dbraw/zinc/73/50/72/562735072.db2.gz	SBGLLABFHQIDCY-JQHOABPUSA-N	0	0	538.664	2.598	1	0		KFAFRN
C[C@@H]1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1	ZINC000073196235	562735062	/nfs/dbraw/zinc/73/50/62/562735062.db2.gz	SBGLLABFHQIDCY-ABNZCKJZSA-N	0	0	538.664	2.598	1	0		KFAFRN
O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000073196564	562735176	/nfs/dbraw/zinc/73/51/76/562735176.db2.gz	FLGSVBQCPOVGER-VNZMSGEBSA-N	0	0	569.083	2.570	1	0	in-vitro	KFAFRN
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O[C@@H](C)CN[C@@H](C2CC2)C(=O)N1C	ZINC000073196583	562735173	/nfs/dbraw/zinc/73/51/73/562735173.db2.gz	WGYPAJVJMXQXTR-JQHOABPUSA-N	0	0	538.664	2.598	1	0		KFAFRN
CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](Cc2ccccc2)C1=O	ZINC000073196609	562735184	/nfs/dbraw/zinc/73/51/84/562735184.db2.gz	BZIKCOOHXAVETB-IZLXSDGUSA-N	0	0	542.680	2.515	1	0		KFAFRN
COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2ccnc(C)c2OC)C2CC2)cn1	ZINC000073197702	562735447	/nfs/dbraw/zinc/73/54/47/562735447.db2.gz	FLTNLWVEZYZDST-AREMUKBSSA-N	0	0	590.681	2.679	1	0		KFAFRN
CCN(CC)C(=O)C(=O)NC(C)(C)c1nc(OC)c(OC(=O)c2ccccc2)c(C(=O)NCc2ccc(F)cc2)n1	ZINC000073197865	562735496	/nfs/dbraw/zinc/73/54/96/562735496.db2.gz	ZOPLINSPMTVTOC-UHFFFAOYSA-N	0	0	565.602	2.993	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c3c2ncnc3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000073198044	562735525	/nfs/dbraw/zinc/73/55/25/562735525.db2.gz	DQNHNWHMCKDBCM-JTYOGCPESA-N	0	0	555.475	2.884	1	0		KFAFRN
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000073198511	562735741	/nfs/dbraw/zinc/73/57/41/562735741.db2.gz	YZNPFEJXJFVLDJ-IIZANFQQSA-N	0	0	619.807	2.562	1	0		KFAFRN
CC(C)(C)OC(=O)NCCNc1nc2nc(-c3ccco3)nn2c(NCCNC(=O)OC(C)(C)C)n1	ZINC000073198716	562735852	/nfs/dbraw/zinc/73/58/52/562735852.db2.gz	WBPQESSCKHAZEZ-UHFFFAOYSA-N	0	0	503.564	2.653	1	0		KFAFRN
CCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3CC[NH+](C)CC3)nc2c(=O)[n-]1	ZINC000073198898	562735893	/nfs/dbraw/zinc/73/58/93/562735893.db2.gz	PAACLERUPHTROS-UHFFFAOYSA-N	0	0	586.763	2.928	1	0		KFAFRN
CC(C)[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000073220729	562736281	/nfs/dbraw/zinc/73/62/81/562736281.db2.gz	DODNTHZJBKKFNW-IIZANFQQSA-N	0	0	619.807	2.562	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccccc1	ZINC000073224078	562736557	/nfs/dbraw/zinc/73/65/57/562736557.db2.gz	HXZWHEZSLXOKRK-LSQMVHIFSA-N	0	0	530.710	2.912	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccccc1	ZINC000073224301	562736596	/nfs/dbraw/zinc/73/65/96/562736596.db2.gz	CNSCCWGIRHOLIP-YCVJPRETSA-N	0	0	623.795	2.888	1	0		KFAFRN
CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOC[C@H](O)CO)c2C1	ZINC000073224454	562736709	/nfs/dbraw/zinc/73/67/09/562736709.db2.gz	OBWAXLNPVMNAMM-LLVKDONJSA-N	0	0	563.389	2.562	1	0		KFAFRN
O=S(=O)(Cc1ccccc1)N1CCN(CCN2CCN(Cc3cccc(Oc4ccccc4)c3)S2(=O)=O)CC1	ZINC000073224516	562736692	/nfs/dbraw/zinc/73/66/92/562736692.db2.gz	XRGZPCGYDSVYOK-UHFFFAOYSA-N	0	0	570.737	2.989	1	0		KFAFRN
CCCCS(=O)(=O)N1CCN(CCN2CCN(Cc3cccc(Oc4ccccc4)c3)S2(=O)=O)CC1	ZINC000073224518	562736693	/nfs/dbraw/zinc/73/66/93/562736693.db2.gz	IQEHYTNVWNZXAD-UHFFFAOYSA-N	0	0	536.720	2.589	1	0		KFAFRN
CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(s2)c(C(=O)NCCN2CCOCC2)cnc3N)cc1	ZINC000073240471	562736898	/nfs/dbraw/zinc/73/68/98/562736898.db2.gz	ILYLHLOBPWMKMH-UHFFFAOYSA-N	0	0	517.677	2.684	1	0		KFAFRN
O=C(CN(Cc1ccccc1)S(=O)(=O)NCc1cccc(Oc2ccccc2)c1)NCCN1CCOCC1	ZINC000073294165	562737597	/nfs/dbraw/zinc/73/75/97/562737597.db2.gz	JZGAELRJOMCFNU-UHFFFAOYSA-N	0	0	538.670	2.764	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OC[C@H](NC(C)=O)[C@H]3C2)cc1	ZINC000073296944	562737751	/nfs/dbraw/zinc/73/77/51/562737751.db2.gz	IFCWQKXHRGWJIG-NGBUOKPYSA-N	0	0	617.765	2.722	1	0		KFAFRN
COC(=O)N[C@@H]1CO[C@@H]2C[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)C[C@@H]21	ZINC000073296949	562737748	/nfs/dbraw/zinc/73/77/48/562737748.db2.gz	XXQYXAWGNBWMGJ-YZGPKJBYSA-N	0	0	633.764	2.942	1	0	in-vitro	KFAFRN
COC(=O)N[C@H]1CO[C@@H]2C[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)C[C@H]12	ZINC000073296954	562737716	/nfs/dbraw/zinc/73/77/16/562737716.db2.gz	XXQYXAWGNBWMGJ-ZZUVZADJSA-N	0	0	633.764	2.942	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OC[C@@H](NC(C)=O)[C@H]3C2)cc1	ZINC000073298310	562737777	/nfs/dbraw/zinc/73/77/77/562737777.db2.gz	IFCWQKXHRGWJIG-XCYBVLSOSA-N	0	0	617.765	2.722	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCc4noc(-c5cccc(OC)c5)n4)nn3C)nc2c(=O)n(CCC)c1=O	ZINC000073314051	562737983	/nfs/dbraw/zinc/73/79/83/562737983.db2.gz	OQXWNCXKKYHQJW-UHFFFAOYSA-N	0	0	520.550	2.744	1	0		KFAFRN
CCCn1c2[nH]c(-c3cc(OCc4nc5cc(C(=O)OCC)ccc5[nH]4)nn3C)nc2c(=O)n(CCC)c1=O	ZINC000073314439	562738029	/nfs/dbraw/zinc/73/80/29/562738029.db2.gz	RGFBJSPEJIIMNV-UHFFFAOYSA-N	0	0	534.577	2.739	1	0		KFAFRN
CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OCC)C12C(=O)OCC	ZINC000073417821	562738804	/nfs/dbraw/zinc/73/88/04/562738804.db2.gz	VPXBDLLKSQEKCV-UHFFFAOYSA-N	0	0	635.678	2.927	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C	ZINC000081215007	562738857	/nfs/dbraw/zinc/73/88/57/562738857.db2.gz	OXOWOCPFNWAZKE-AAVYNJDJSA-N	0	0	654.805	2.871	1	0		KFAFRN
CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1	ZINC000082140214	562739339	/nfs/dbraw/zinc/73/93/39/562739339.db2.gz	XIMKDIUKGKSHSF-MUUNZHRXSA-N	0	0	651.164	2.909	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(I)c3c2nc(N)nc3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000082140315	562739381	/nfs/dbraw/zinc/73/93/81/562739381.db2.gz	PQJZFQXULSSBIP-OGKZBTCDSA-N	0	0	678.396	2.932	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(I)c3c2nc(N)nc3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000082140317	562739420	/nfs/dbraw/zinc/73/94/20/562739420.db2.gz	PQJZFQXULSSBIP-SURLUNGKSA-N	0	0	678.396	2.932	1	0		KFAFRN
COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c(Cl)c[n+]1[O-]	ZINC000082140549	562739512	/nfs/dbraw/zinc/73/95/12/562739512.db2.gz	ZXNIBIOOPMIAOL-GDLZYMKVSA-N	0	0	669.179	2.833	1	0		KFAFRN
COP(=O)(OC)O[P@](=O)(OC)O[P@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@](C)(F)[C@@H]1O	ZINC000082149076	562739631	/nfs/dbraw/zinc/73/96/31/562739631.db2.gz	LXVJWXPNWWUULF-KYNRLGNKSA-N	0	0	578.320	2.960	1	0		KFAFRN
COP(=O)(OC)O[P@](=O)(OC)O[P@@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@](C)(F)[C@@H]1O	ZINC000082149078	562739651	/nfs/dbraw/zinc/73/96/51/562739651.db2.gz	LXVJWXPNWWUULF-GCFPVXCWSA-N	0	0	578.320	2.960	1	0		KFAFRN
COP(=O)(OC)O[P@@](=O)(OC)O[P@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@](C)(F)[C@@H]1O	ZINC000082149083	562739672	/nfs/dbraw/zinc/73/96/72/562739672.db2.gz	LXVJWXPNWWUULF-YUWDJYKVSA-N	0	0	578.320	2.960	1	0		KFAFRN
COP(=O)(OC)O[P@@](=O)(OC)O[P@@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@](C)(F)[C@@H]1O	ZINC000082149085	562739669	/nfs/dbraw/zinc/73/96/69/562739669.db2.gz	LXVJWXPNWWUULF-PVASTLDZSA-N	0	0	578.320	2.960	1	0		KFAFRN
CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1	ZINC000082149975	562739765	/nfs/dbraw/zinc/73/97/65/562739765.db2.gz	NIBCDDKWFDEBEP-UHFFFAOYSA-N	0	0	565.700	2.907	1	0		KFAFRN
COP(=O)(OC)O[P@](=O)(OC)O[P@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2nc(N)nc3N)[C@](C)(F)[C@@H]1O	ZINC000082150071	562739759	/nfs/dbraw/zinc/73/97/59/562739759.db2.gz	KGAOSZZSIXCLRQ-XRLAYOKLSA-N	0	0	593.335	2.542	1	0		KFAFRN
COP(=O)(OC)O[P@](=O)(OC)O[P@@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2nc(N)nc3N)[C@](C)(F)[C@@H]1O	ZINC000082150074	562739776	/nfs/dbraw/zinc/73/97/76/562739776.db2.gz	KGAOSZZSIXCLRQ-XDHLIBFISA-N	0	0	593.335	2.542	1	0		KFAFRN
COP(=O)(OC)O[P@@](=O)(OC)O[P@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2nc(N)nc3N)[C@](C)(F)[C@@H]1O	ZINC000082150078	562739736	/nfs/dbraw/zinc/73/97/36/562739736.db2.gz	KGAOSZZSIXCLRQ-MNDGRPEVSA-N	0	0	593.335	2.542	1	0		KFAFRN
COP(=O)(OC)O[P@@](=O)(OC)O[P@@](=O)(OC)OC[C@H]1O[C@@H](n2ccc3c2nc(N)nc3N)[C@](C)(F)[C@@H]1O	ZINC000082150082	562739756	/nfs/dbraw/zinc/73/97/56/562739756.db2.gz	KGAOSZZSIXCLRQ-DREOATKRSA-N	0	0	593.335	2.542	1	0		KFAFRN
COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2O)COC1=O	ZINC000082150491	562739807	/nfs/dbraw/zinc/73/98/07/562739807.db2.gz	CQRKJDOFDJDYEH-VYPFXDSDSA-N	0	0	582.558	2.900	1	0		KFAFRN
COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)COC1=O	ZINC000082152670	562740124	/nfs/dbraw/zinc/74/01/24/562740124.db2.gz	OFRPJJWZJNDZAH-KGVIJJJASA-N	0	0	568.531	2.510	1	0		KFAFRN
CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CCN(C3CCOCC3)C2)CC1	ZINC000082153157	562740151	/nfs/dbraw/zinc/74/01/51/562740151.db2.gz	KQPJRFXWAWUUTE-UHFFFAOYSA-N	0	0	511.648	2.888	1	0		KFAFRN
COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(C)CCCc2ccccc2)cn1	ZINC000082155197	562740502	/nfs/dbraw/zinc/74/05/02/562740502.db2.gz	XONFRQPEMBWSIO-AREMUKBSSA-N	0	0	547.656	2.867	1	0		KFAFRN
COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)NCc2ccccc2Cl)cn1	ZINC000082155814	562740561	/nfs/dbraw/zinc/74/05/61/562740561.db2.gz	UJJGZDZMWQETAF-HSZRJFAPSA-N	0	0	540.020	2.746	1	0		KFAFRN
COc1cc(C2=NO[C@H](CO[C@@H]3O[C@H](CSc4nc[nH]n4)[C@H]4OC5(CCCC5)O[C@@H]34)C2)cc(OC)c1OC	ZINC000082156708	562740749	/nfs/dbraw/zinc/74/07/49/562740749.db2.gz	LMPDZFGGNGYSIW-IWLVCWTBSA-N	0	0	548.618	2.912	1	0		KFAFRN
COc1cc(C2=NO[C@@H](CO[C@@H]3O[C@H](CSc4nc[nH]n4)[C@H]4OC5(CCCC5)O[C@@H]34)C2)cc(OC)c1OC	ZINC000082156710	562740740	/nfs/dbraw/zinc/74/07/40/562740740.db2.gz	LMPDZFGGNGYSIW-PEAKKCBMSA-N	0	0	548.618	2.912	1	0		KFAFRN
COc1ccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c2cc(O)ccc2O)C(C)C)cc1	ZINC000082158151	562741038	/nfs/dbraw/zinc/74/10/38/562741038.db2.gz	HFQULVZZVAWELV-XEVVZDEMSA-N	0	0	653.821	2.897	1	0		KFAFRN
COc1cccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c2cc(O)ccc2O)C(C)C)c1	ZINC000082165296	562741414	/nfs/dbraw/zinc/74/14/14/562741414.db2.gz	LANASCFUBHTYFR-XEVVZDEMSA-N	0	0	653.821	2.897	1	0		KFAFRN
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)CNn1c(=O)c2cc(Br)ccc2nc1-c1ccccc1Cl	ZINC000082178543	562741769	/nfs/dbraw/zinc/74/17/69/562741769.db2.gz	HLCGIUQBBVVVHD-NXCFDTQHSA-N	0	0	680.892	2.950	1	0		KFAFRN
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)CNn1c(=O)c2cc(Br)ccc2nc1-c1ccccc1Cl	ZINC000082178547	562741762	/nfs/dbraw/zinc/74/17/62/562741762.db2.gz	HLCGIUQBBVVVHD-JIMJEQGWSA-N	0	0	680.892	2.950	1	0		KFAFRN
CC1(C)S[C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)CN2[C@H]1NC(=O)N[C@@H]1N2C[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2SC1(C)C	ZINC000082181755	562741947	/nfs/dbraw/zinc/74/19/47/562741947.db2.gz	FWTMQQPVXHJRFT-WUFZQGJCSA-N	0	0	632.768	2.602	1	0		KFAFRN
COc1ccc(N2CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CN(c5ccc(OC)cc5)C4=S)cc3)C2=S)cc1	ZINC000082186640	562742435	/nfs/dbraw/zinc/74/24/35/562742435.db2.gz	GARCKZWVQHRBOD-UHFFFAOYSA-N	0	0	634.692	2.782	1	0		KFAFRN
COCCOCC(=O)N(CCn1cnc2nc(N)[nH]c(=O)c21)CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O	ZINC000082190354	562742554	/nfs/dbraw/zinc/74/25/54/562742554.db2.gz	BFRZYYLVGUFQOF-UHFFFAOYSA-N	0	0	689.777	2.854	1	0		KFAFRN
CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)C[C@]1(OC(C)=O)C[C@H]1C(=O)C(C)(C)[C@@H](OC(C)=O)[C@@H]12	ZINC000082191302	562742658	/nfs/dbraw/zinc/74/26/58/562742658.db2.gz	RCVCMLLRUPYTNC-QHAGBCAISA-N	0	0	714.761	2.894	1	0		KFAFRN
COC(=O)C1=C(OC(=O)/C(=C/c2ccccc2)c2ccc(OC)cc2)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC	ZINC000082195521	562742749	/nfs/dbraw/zinc/74/27/49/562742749.db2.gz	JWRMORPBBCDVNQ-IZSGTLPLSA-N	0	0	636.650	2.974	1	0		KFAFRN
COC(=O)C1=C(OC(=O)/C(=C/c2ccccc2)c2ccc(OC)cc2)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC	ZINC000082195522	562742731	/nfs/dbraw/zinc/74/27/31/562742731.db2.gz	JWRMORPBBCDVNQ-BDOLSGIYSA-N	0	0	636.650	2.974	1	0		KFAFRN
C[C@@H]1OC2=N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1=N[C@H](C(=O)N[C@@H](Cc3ccccc3)C3=N[C@H](C(=O)N[C@H]2Cc2ccccc2)[C@H](C)O3)[C@H](C)O1	ZINC000082196780	562742780	/nfs/dbraw/zinc/74/27/80/562742780.db2.gz	WRDPUOVJPNLDHH-IVCKQFGLSA-N	0	0	690.801	2.740	1	0		KFAFRN
C[C@@H](N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000084336710	562742862	/nfs/dbraw/zinc/74/28/62/562742862.db2.gz	SNMXKBUUCRKSOO-QGKNIBERSA-N	0	0	542.489	2.601	1	0		KFAFRN
C/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	ZINC000084462486	562743186	/nfs/dbraw/zinc/74/31/86/562743186.db2.gz	HPSQELPNVYWIJX-CMBLOLPWSA-N	0	0	531.396	2.911	1	0		KFAFRN
N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O	ZINC000084466295	562743176	/nfs/dbraw/zinc/74/31/76/562743176.db2.gz	RXFVXQPXNUGRRD-HMIGGYHTSA-N	0	0	545.217	2.838	1	0		KFAFRN
N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O	ZINC000084466296	562743196	/nfs/dbraw/zinc/74/31/96/562743196.db2.gz	RXFVXQPXNUGRRD-LDFOPSEGSA-N	0	0	545.217	2.838	1	0		KFAFRN
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5nccn5C)C4)CC(=O)N32)cc1OC	ZINC000084597079	562743921	/nfs/dbraw/zinc/74/39/21/562743921.db2.gz	NBXLYPVPGFKRFS-YMLOERMTSA-N	0	0	554.651	2.878	1	0		KFAFRN
CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1	ZINC000084603772	562744215	/nfs/dbraw/zinc/74/42/15/562744215.db2.gz	TWPMPPBKEBDBDK-SVBPBHIXSA-N	0	0	588.661	2.757	1	0		KFAFRN
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccccc3OC)C[C@@]12C	ZINC000084604817	562744323	/nfs/dbraw/zinc/74/43/23/562744323.db2.gz	IHVAVLZXZYUVRZ-ZTIGQDPPSA-N	0	0	500.544	2.926	1	0		KFAFRN
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cccc(OC)c3)C[C@@]12C	ZINC000084604818	562744300	/nfs/dbraw/zinc/74/43/00/562744300.db2.gz	LFUYJDRJCASCHL-ASOMPUMUSA-N	0	0	500.544	2.926	1	0		KFAFRN
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3ccc(OC)cc3)C[C@@]12C	ZINC000084604821	562744305	/nfs/dbraw/zinc/74/43/05/562744305.db2.gz	BIVHAVCFUVVKMG-ASOMPUMUSA-N	0	0	500.544	2.926	1	0		KFAFRN
O=C(NOCCO)c1c2n(c(=O)c(Cl)c1Nc1ccc(I)cc1F)CCC2	ZINC000084616152	562744562	/nfs/dbraw/zinc/74/45/62/562744562.db2.gz	MDINGYBMHOPYQH-UHFFFAOYSA-N	0	0	507.687	2.589	1	0		KFAFRN
COC(=O)COCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@@]2(C)[C@]3(O)CC[C@@]2(O)C(C)=O)C1	ZINC000084617721	562744970	/nfs/dbraw/zinc/74/49/70/562744970.db2.gz	MGACWIVCMVGDJO-SUCLRGJTSA-N	0	0	620.736	2.725	1	0		KFAFRN
CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(O)c2)CC1	ZINC000084618381	562745081	/nfs/dbraw/zinc/74/50/81/562745081.db2.gz	LIABWJWBDLOQQY-UHFFFAOYSA-N	0	0	541.670	2.708	1	0		KFAFRN
COc1cccc2c(-c3nsc(CN4CCC(C(=O)NCCO)CC4)n3)cn(CC3CCOCC3)c21	ZINC000084618912	562745198	/nfs/dbraw/zinc/74/51/98/562745198.db2.gz	DVTDJSJRQAINFU-UHFFFAOYSA-N	0	0	513.664	2.916	1	0		KFAFRN
O=C(NCCO)[C@H]1CCCN(Cc2nc(-c3cn(CC4CCS(=O)(=O)CC4)c4c3cccc4Cl)ns2)C1	ZINC000084619494	562745267	/nfs/dbraw/zinc/74/52/67/562745267.db2.gz	KBIPIYSFMKEKGV-SFHVURJKSA-N	0	0	566.149	2.959	1	0		KFAFRN
CCCc1nn(-c2cccnc2)c2c1nc(-c1cc(S(=O)(=O)N3CCN(C)CC3)ccc1OCC)[nH]c2=O	ZINC000084632957	562745669	/nfs/dbraw/zinc/74/56/69/562745669.db2.gz	MXBRZLYYWAHJGJ-UHFFFAOYSA-N	0	0	537.646	2.870	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(-c3ccccc3)nn(C)c2c(=O)[nH]1	ZINC000084632960	562745659	/nfs/dbraw/zinc/74/56/59/562745659.db2.gz	DSUJCFXCOOMLRE-UHFFFAOYSA-N	0	0	508.604	2.738	1	0		KFAFRN
CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CO)CC3=CC[C@]12O	ZINC000084634670	562745941	/nfs/dbraw/zinc/74/59/41/562745941.db2.gz	XXNTXMDWPGAGIN-MFWISIBWSA-N	0	0	548.673	2.527	1	0		KFAFRN
Cc1nc(N2CCC(O)(C(N)=O)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12	ZINC000084635653	562746222	/nfs/dbraw/zinc/74/62/22/562746222.db2.gz	MMHXXYWJJXMTSW-UHFFFAOYSA-N	0	0	519.480	2.671	1	0		KFAFRN
Cc1cn2c(-c3cnn(CC(=O)N4CCOCC4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1	ZINC000084635985	562746259	/nfs/dbraw/zinc/74/62/59/562746259.db2.gz	OTARCJGWWAIHGA-UHFFFAOYSA-N	0	0	521.651	2.946	1	0		KFAFRN
CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1	ZINC000084636032	562746319	/nfs/dbraw/zinc/74/63/19/562746319.db2.gz	XQGVRBISTMNIPE-SVBPBHIXSA-N	0	0	588.661	2.757	1	0		KFAFRN
O=C1C(=O)N(CCn2cc(CN3C(=O)C(=O)c4cc(Br)ccc43)nn2)c2ccc(Cl)cc21	ZINC000084652683	562746674	/nfs/dbraw/zinc/74/66/74/562746674.db2.gz	JXQNSZIERIRCAJ-UHFFFAOYSA-N	0	0	514.723	2.653	1	0		KFAFRN
C/C=C1\CN2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6ccc(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O	ZINC000084653627	562746929	/nfs/dbraw/zinc/74/69/29/562746929.db2.gz	UPIGIQGRCRWGHO-YGQBOABASA-N	0	0	516.594	2.927	1	0		KFAFRN
Cc1ccc([C@H](C(=O)N2CCOCC2)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1	ZINC000084653897	562747051	/nfs/dbraw/zinc/74/70/51/562747051.db2.gz	BLQNXCRIQMYHRI-TWJOJJKGSA-N	0	0	518.658	2.837	1	0		KFAFRN
CNc1nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OC[C@H](OCCOC)[C@@H]34)cc2o1	ZINC000084654577	562747249	/nfs/dbraw/zinc/74/72/49/562747249.db2.gz	RAYAFQVLXHNDSC-CFUDKJTHSA-N	0	0	676.789	2.618	1	0	in-vitro	KFAFRN
Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1	ZINC000084668642	562747685	/nfs/dbraw/zinc/74/76/85/562747685.db2.gz	SLHMJCGFWVUNIB-JBOQNHBVSA-N	0	0	632.681	2.961	1	0		KFAFRN
[NH3+][C@@H](CO)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12	ZINC000084668760	562747743	/nfs/dbraw/zinc/74/77/43/562747743.db2.gz	TYNDXTGEBLAWAX-HOFKKMOUSA-N	0	0	569.618	2.955	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@H](NC(=O)OC(C)(C)C)CC[C@@H]4O)c(F)c2)C(=O)O1	ZINC000084669106	562747851	/nfs/dbraw/zinc/74/78/51/562747851.db2.gz	PAPZXEPBLAMRBH-BWAGFHJFSA-N	0	0	520.602	2.922	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@@H](O)CC[C@@H]4NC(=O)OC(C)(C)C)c(F)c2)C(=O)O1	ZINC000084669107	562747863	/nfs/dbraw/zinc/74/78/63/562747863.db2.gz	PAPZXEPBLAMRBH-NYVOZVTQSA-N	0	0	520.602	2.922	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@H](O)CC[C@H]4NC(=O)OC(C)(C)C)c(F)c2)C(=O)O1	ZINC000084669108	562747873	/nfs/dbraw/zinc/74/78/73/562747873.db2.gz	PAPZXEPBLAMRBH-VLCRHTCISA-N	0	0	520.602	2.922	1	0		KFAFRN
CC(=O)NC[C@H]1CN(c2ccc(N3CCC4(CC3)[C@H](O)CC[C@@H]4NC(=O)OC(C)(C)C)c(F)c2)C(=O)O1	ZINC000084669109	562747874	/nfs/dbraw/zinc/74/78/74/562747874.db2.gz	PAPZXEPBLAMRBH-YUXAGFNASA-N	0	0	520.602	2.922	1	0		KFAFRN
CCCSc1nc2c(nnn2[C@@H]2C[C@H](OC(C)=O)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1	ZINC000084669121	562747867	/nfs/dbraw/zinc/74/78/67/562747867.db2.gz	WHPONVWUXYVBSG-FNOIDJSQSA-N	0	0	520.562	2.568	1	0		KFAFRN
CCCSc1nc2c(nnn2[C@@H]2C[C@H](OC(=O)CC)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1	ZINC000084669122	562747853	/nfs/dbraw/zinc/74/78/53/562747853.db2.gz	PSYQUSMRTZBBSO-CKBINKDSSA-N	0	0	534.589	2.958	1	0		KFAFRN
COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1	ZINC000084669771	562748081	/nfs/dbraw/zinc/74/80/81/562748081.db2.gz	UTMJODBGZJGLMG-UHFFFAOYSA-N	0	0	500.629	2.931	1	0		KFAFRN
CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O	ZINC000084670103	562748189	/nfs/dbraw/zinc/74/81/89/562748189.db2.gz	KILYFHYTMDFZTB-INIZCTEOSA-N	0	0	529.493	2.573	1	0		KFAFRN
CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O	ZINC000084670104	562748197	/nfs/dbraw/zinc/74/81/97/562748197.db2.gz	KILYFHYTMDFZTB-MRXNPFEDSA-N	0	0	529.493	2.573	1	0		KFAFRN
CCN/C=C1\C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21	ZINC000084671998	562748732	/nfs/dbraw/zinc/74/87/32/562748732.db2.gz	PZHRJGDHNANGNP-CNJNGKSKSA-N	0	0	642.775	2.696	1	0		KFAFRN
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000084672096	562748698	/nfs/dbraw/zinc/74/86/98/562748698.db2.gz	OPARQIWFKDQDPT-QGZVFWFLSA-N	0	0	515.558	2.567	1	0		KFAFRN
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000084672097	562748705	/nfs/dbraw/zinc/74/87/05/562748705.db2.gz	OPARQIWFKDQDPT-KRWDZBQOSA-N	0	0	515.558	2.567	1	0		KFAFRN
O=c1c(O[C@@H]2CC[C@H](O)C2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1	ZINC000084687190	562748840	/nfs/dbraw/zinc/74/88/40/562748840.db2.gz	QKTQLHGRIIVDNH-XZOQPEGZSA-N	0	0	545.061	2.830	1	0		KFAFRN
O=c1c(O[C@H]2CC[C@H](O)C2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1	ZINC000084687191	562748852	/nfs/dbraw/zinc/74/88/52/562748852.db2.gz	QKTQLHGRIIVDNH-GOTSBHOMSA-N	0	0	545.061	2.830	1	0		KFAFRN
O=c1c(O[C@@H]2CC[C@@H](O)C2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1	ZINC000084687192	562748831	/nfs/dbraw/zinc/74/88/31/562748831.db2.gz	QKTQLHGRIIVDNH-DHIUTWEWSA-N	0	0	545.061	2.830	1	0		KFAFRN
O=c1c(O[C@H]2CC[C@@H](O)C2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1	ZINC000084687193	562748837	/nfs/dbraw/zinc/74/88/37/562748837.db2.gz	QKTQLHGRIIVDNH-PKTZIBPZSA-N	0	0	545.061	2.830	1	0		KFAFRN
CC(C)(O)CCOc1c(=O)n(-c2cc(F)cc(F)c2)ncc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000084687448	562748953	/nfs/dbraw/zinc/74/89/53/562748953.db2.gz	UOIYCOGGABDQKV-UHFFFAOYSA-N	0	0	548.612	2.703	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)CCN2	ZINC000084687560	562748935	/nfs/dbraw/zinc/74/89/35/562748935.db2.gz	XHERYFVEDRKUPV-HKFGFSCZSA-N	0	0	573.712	2.761	1	0		KFAFRN
O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccncc3)CC2)cnn1-c1cc(F)cc(F)c1	ZINC000084687750	562748963	/nfs/dbraw/zinc/74/89/63/562748963.db2.gz	IFUDCJWCTMHFHL-UHFFFAOYSA-N	0	0	531.585	2.879	1	0		KFAFRN
CC1(COc2c(N3CCN(S(=O)(=O)Cc4cccnc4N)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1	ZINC000084688127	562749097	/nfs/dbraw/zinc/74/90/97/562749097.db2.gz	AOMZSIFDBDFDOL-UHFFFAOYSA-N	0	0	545.065	2.694	1	0		KFAFRN
CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc(N)nc4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1	ZINC000084688453	562749151	/nfs/dbraw/zinc/74/91/51/562749151.db2.gz	UWGXHFNDYWMDHO-UHFFFAOYSA-N	0	0	545.065	2.694	1	0		KFAFRN
CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccnc(N)c4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1	ZINC000084688454	562749187	/nfs/dbraw/zinc/74/91/87/562749187.db2.gz	FLMWMIJTURMTQH-UHFFFAOYSA-N	0	0	545.065	2.694	1	0		KFAFRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)C(=O)C[C@@H]32)C1	ZINC000084688665	562749221	/nfs/dbraw/zinc/74/92/21/562749221.db2.gz	AQALLVHDHDCZOF-NPCWGHFUSA-N	0	0	633.823	2.941	1	0		KFAFRN
Cn1cc2c(n1)nc(NC(=O)NC1CCN(C(=O)NCc3ccc(F)cc3)CC1)n1nc(-c3ccco3)nc21	ZINC000084689384	562749333	/nfs/dbraw/zinc/74/93/33/562749333.db2.gz	QLCUVXNMVMSRNX-UHFFFAOYSA-N	0	0	532.540	2.906	1	0		KFAFRN
CCOc1cc2cc(-c3c(C)nc(NCC(F)(F)F)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1	ZINC000084689497	562749406	/nfs/dbraw/zinc/74/94/06/562749406.db2.gz	HRDRJPITAWCHRE-OHHBCXFOSA-N	0	0	511.501	2.789	1	0		KFAFRN
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1	ZINC000084689547	562749375	/nfs/dbraw/zinc/74/93/75/562749375.db2.gz	JVZHTUQIMBYDSX-GOSISDBHSA-N	0	0	529.585	2.957	1	0		KFAFRN
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1	ZINC000084689549	562749386	/nfs/dbraw/zinc/74/93/86/562749386.db2.gz	JVZHTUQIMBYDSX-SFHVURJKSA-N	0	0	529.585	2.957	1	0		KFAFRN
CCOC(=O)COC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1	ZINC000084689550	562749391	/nfs/dbraw/zinc/74/93/91/562749391.db2.gz	ILFVFJBAVNMYBU-INIZCTEOSA-N	0	0	532.541	2.814	1	0		KFAFRN
CCOC(=O)COC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1	ZINC000084689551	562749392	/nfs/dbraw/zinc/74/93/92/562749392.db2.gz	ILFVFJBAVNMYBU-MRXNPFEDSA-N	0	0	532.541	2.814	1	0		KFAFRN
COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn43)CC2)cc1	ZINC000084689878	562749422	/nfs/dbraw/zinc/74/94/22/562749422.db2.gz	KLHSAPDOXFVSLI-UHFFFAOYSA-N	0	0	544.576	2.775	1	0		KFAFRN
COc1cc(CCNc2nc(C)c(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(OC)c1	ZINC000084690154	562749484	/nfs/dbraw/zinc/74/94/84/562749484.db2.gz	SPVBSIYVTQHDBV-ARMQZXDMSA-N	0	0	552.657	2.643	1	0		KFAFRN
Cc1nc(NCc2c(F)cccc2F)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1	ZINC000084690266	562749541	/nfs/dbraw/zinc/74/95/41/562749541.db2.gz	YMSJOAWFKOENKU-JNXYNVKLSA-N	0	0	514.558	2.862	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NC1CC1)C(=O)N2	ZINC000084690591	562749691	/nfs/dbraw/zinc/74/96/91/562749691.db2.gz	IAVPZEFLMXHHCB-GERCFZKASA-N	0	0	654.786	2.838	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\N(C)C)C(=O)N2	ZINC000084704107	562749797	/nfs/dbraw/zinc/74/97/97/562749797.db2.gz	ZYHBLSYDHWHUPE-GWVXJODHSA-N	0	0	642.775	2.648	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C/N(C)C)C(=O)N2	ZINC000084704110	562749830	/nfs/dbraw/zinc/74/98/30/562749830.db2.gz	ZYHBLSYDHWHUPE-XKFICUQPSA-N	0	0	642.775	2.648	1	0		KFAFRN
C/C=C1/CN2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6cc(OC)c(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O	ZINC000084709680	562750375	/nfs/dbraw/zinc/75/03/75/562750375.db2.gz	PRKMIRDXQCIYQP-GUTBXLRFSA-N	0	0	546.620	2.936	1	0		KFAFRN
CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cnc(C)cc1C	ZINC000084710340	562750460	/nfs/dbraw/zinc/75/04/60/562750460.db2.gz	XHTCCUKMYSWDIM-QUZACWSFSA-N	0	0	518.658	2.755	1	0		KFAFRN
Cn1cc2c(n1)nc(NC(=O)NC1CCN(C(=O)NCCc3ccccc3)CC1)n1nc(-c3ccco3)nc21	ZINC000084710486	562750543	/nfs/dbraw/zinc/75/05/43/562750543.db2.gz	JONIAMPRFRZSLQ-UHFFFAOYSA-N	0	0	528.577	2.809	1	0		KFAFRN
Cc1cc(COC(=O)NCc2ccc(-c3cc(Nc4cc(N5CCN(CCO)CC5)nc(C)n4)n[nH]3)cc2)no1	ZINC000084710788	562750569	/nfs/dbraw/zinc/75/05/69/562750569.db2.gz	YALRSSKMFGDNEE-UHFFFAOYSA-N	0	0	547.620	2.756	1	0		KFAFRN
Cn1cc2c(n1)nc(NC(=O)NC1CCN(C(=O)NC3CCCCC3)CC1)n1nc(-c3ccco3)nc21	ZINC000084711279	562750678	/nfs/dbraw/zinc/75/06/78/562750678.db2.gz	TVCAGFFHIXOSGO-UHFFFAOYSA-N	0	0	506.571	2.899	1	0		KFAFRN
CN/C(C)=C1\C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21	ZINC000084711356	562750682	/nfs/dbraw/zinc/75/06/82/562750682.db2.gz	CJXWCYBPIXFWOP-PEXZKGFOSA-N	0	0	642.775	2.696	1	0	in-vitro	KFAFRN
Cn1cc2c(n1)nc(NC(=O)NC1CCN(C(=O)NCc3ccccc3)CC1)n1nc(-c3ccco3)nc21	ZINC000084712154	562750753	/nfs/dbraw/zinc/75/07/53/562750753.db2.gz	SLCQMPLIXDFFPV-UHFFFAOYSA-N	0	0	514.550	2.767	1	0		KFAFRN
Cc1nc(CCNC(=O)Nc2nc3ccc(-c4cncc(S(=O)(=O)NC(C)(C)C)c4)cn3n2)cs1	ZINC000084712169	562750764	/nfs/dbraw/zinc/75/07/64/562750764.db2.gz	GUXYVZVGGMEFRP-UHFFFAOYSA-N	0	0	514.637	2.997	1	0		KFAFRN
Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1	ZINC000084712905	562750811	/nfs/dbraw/zinc/75/08/11/562750811.db2.gz	GABNZMRCOCJMDX-UHFFFAOYSA-N	0	0	512.596	2.837	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](F)[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3F)O2)c(=O)[nH]c1=O	ZINC000084714074	562750922	/nfs/dbraw/zinc/75/09/22/562750922.db2.gz	WNAKXDFPUCFCAW-XOGRSFEHSA-N	0	0	682.718	2.942	1	0		KFAFRN
COC(=O)CN1C(=O)N(C[C@H](O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O	ZINC000084714134	562750959	/nfs/dbraw/zinc/75/09/59/562750959.db2.gz	HGXMEVXDICZZJT-RUZDIDTESA-N	0	0	560.626	2.690	1	0		KFAFRN
COC(=O)CN1C(=O)N(C[C@@H](O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O	ZINC000084714138	562750961	/nfs/dbraw/zinc/75/09/61/562750961.db2.gz	HGXMEVXDICZZJT-VWLOTQADSA-N	0	0	560.626	2.690	1	0		KFAFRN
CC1(C)OC[C@H]2O[C@@H]3O[C@]4(COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2O1)O[C@H](COC(=O)/C=C/c1ccccc1)[C@@H](O)[C@@H]4OC(=O)/C=C/c1ccccc1	ZINC000084723239	562751040	/nfs/dbraw/zinc/75/10/40/562751040.db2.gz	ODHPIXLVTRBDJF-KOXDIRRDSA-N	0	0	682.719	2.730	1	0		KFAFRN
Nc1ccn([C@@H]2CS[C@H](COC(=O)CCCCCCCCCCC(=O)OC[C@@H]3O[C@H](n4ccc(N)nc4=O)CS3)O2)c(=O)n1	ZINC000084725611	562751241	/nfs/dbraw/zinc/75/12/41/562751241.db2.gz	JGYQESOCFGEEKH-CNXCYTMISA-N	0	0	652.796	2.828	1	0		KFAFRN
CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cc(C)cnc1C	ZINC000084725944	562751276	/nfs/dbraw/zinc/75/12/76/562751276.db2.gz	WKFMSNYXQLFFSK-QSFFNLKPSA-N	0	0	518.658	2.755	1	0		KFAFRN
CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1	ZINC000084725960	562751268	/nfs/dbraw/zinc/75/12/68/562751268.db2.gz	UHPWFRMUFWGRMO-ZONZVBGPSA-N	0	0	518.658	2.837	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@@H]([NH2+]Cc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000084726058	562751294	/nfs/dbraw/zinc/75/12/94/562751294.db2.gz	DGEFXLGHKUINMX-XNHSTVAPSA-N	0	0	597.709	2.727	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000084726062	562751279	/nfs/dbraw/zinc/75/12/79/562751279.db2.gz	DGEFXLGHKUINMX-XRHDBYFJSA-N	0	0	597.709	2.727	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@H]([NH2+]Cc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000084726067	562751269	/nfs/dbraw/zinc/75/12/69/562751269.db2.gz	DGEFXLGHKUINMX-ULNSWCKISA-N	0	0	597.709	2.727	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@H]([NH2+]Cc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000084726069	562751274	/nfs/dbraw/zinc/75/12/74/562751274.db2.gz	DGEFXLGHKUINMX-RPCRGLHRSA-N	0	0	597.709	2.727	1	0		KFAFRN
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4cccnc4)cc3)[nH]n2)cc(N2CCN(CCO)CC2)n1	ZINC000084727977	562751400	/nfs/dbraw/zinc/75/14/00/562751400.db2.gz	DLDQLFJKMNRZQR-UHFFFAOYSA-N	0	0	543.632	2.854	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H]([NH2+]Cc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)[O-]	ZINC000084729919	562751594	/nfs/dbraw/zinc/75/15/94/562751594.db2.gz	NUKFXVDIWDWORF-XNHSTVAPSA-N	0	0	597.709	2.727	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)[O-]	ZINC000084729923	562751588	/nfs/dbraw/zinc/75/15/88/562751588.db2.gz	NUKFXVDIWDWORF-XRHDBYFJSA-N	0	0	597.709	2.727	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H]([NH2+]Cc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)[O-]	ZINC000084729927	562751546	/nfs/dbraw/zinc/75/15/46/562751546.db2.gz	NUKFXVDIWDWORF-ULNSWCKISA-N	0	0	597.709	2.727	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H]([NH2+]Cc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)[O-]	ZINC000084729932	562751531	/nfs/dbraw/zinc/75/15/31/562751531.db2.gz	NUKFXVDIWDWORF-RPCRGLHRSA-N	0	0	597.709	2.727	1	0		KFAFRN
CCCC(=O)O[C@@H]1[C@@H](CNC(=O)NC)O[C@@H](n2cnc3c2ncnc3NC(=O)Nc2ccccc2)[C@@H]1OC(=O)CCC	ZINC000084732692	562751854	/nfs/dbraw/zinc/75/18/54/562751854.db2.gz	HXAYXVSRGHSUKG-XEWJDLBKSA-N	0	0	582.618	2.721	1	0		KFAFRN
COc1ccc(CNc2nc(N3CC[C@H](O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CC[C@H](O)C4)nc23)cc1	ZINC000084732779	562751876	/nfs/dbraw/zinc/75/18/76/562751876.db2.gz	JEEFLOXSFOFIPX-VXKWHMMOSA-N	0	0	572.670	2.803	1	0		KFAFRN
COc1ccc(CNc2nc(N3CC[C@@H](O)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CC[C@@H](O)C4)nc23)cc1	ZINC000084732786	562751837	/nfs/dbraw/zinc/75/18/37/562751837.db2.gz	JEEFLOXSFOFIPX-FGZHOGPDSA-N	0	0	572.670	2.803	1	0		KFAFRN
COc1ccc2c(c1)c(CC(=O)NCCN1CCOCC1)c(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000084733990	562751879	/nfs/dbraw/zinc/75/18/79/562751879.db2.gz	PALSPGPTTGNIDZ-UHFFFAOYSA-N	0	0	525.602	2.664	1	0		KFAFRN
CNc1nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OC[C@H](OCOC)[C@@H]34)cc2o1	ZINC000084739100	562751986	/nfs/dbraw/zinc/75/19/86/562751986.db2.gz	MMUCWMABXUAZRS-DYJLPOQOSA-N	0	0	662.762	2.575	1	0		KFAFRN
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(CN5CCS(=O)(=O)CC5)c4)nc23)cc1	ZINC000084739449	562751958	/nfs/dbraw/zinc/75/19/58/562751958.db2.gz	XHYSVEHSAPSKSY-UHFFFAOYSA-N	0	0	511.629	2.774	1	0		KFAFRN
CC(=O)c1ccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]2CCCN2C(=O)COc2ccc(C(C)=O)cc2)cc1	ZINC000084756776	562752296	/nfs/dbraw/zinc/75/22/96/562752296.db2.gz	UGBHEPOKPXFMMZ-ANFUHZJESA-N	0	0	602.684	2.990	1	0		KFAFRN
O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@@H]1CCCN1C(=O)COc1ccccc1	ZINC000084759550	562752982	/nfs/dbraw/zinc/75/29/82/562752982.db2.gz	KTQRWGOLLSKGKX-ATACATFBSA-N	0	0	518.610	2.585	1	0		KFAFRN
COc1c2c(ccc1OC[NH2+]CCC(C)C)[C@@H]1COc3c4c(cc(-c5cccc(O)c5)c3[C@@H]1O2)O[C@]1(CN4)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000085488518	565124347	/nfs/dbraw/zinc/12/43/47/565124347.db2.gz	IQPKVLUVSSZGDD-NPTQQUQXSA-N	0	0	680.707	2.716	1	0	biogenic,in-vitro	KFAFRN
COc1c2c(c(CCO)cc1OC[NH2+]CCC(C)C)[C@@H]1COc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc(-c4ccccc4)c3[C@@H]1O2	ZINC000085488581	565124324	/nfs/dbraw/zinc/12/43/24/565124324.db2.gz	VJENDBJBVVHZRO-NNILIPDFSA-N	0	0	681.735	2.750	1	0	biogenic,in-vitro	KFAFRN
COc1c2c(ccc1OC[NH2+]CCC(C)C)[C@@H]1COc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc(-c4cccc(O)c4)c3[C@@H]1O2	ZINC000085488592	565124375	/nfs/dbraw/zinc/12/43/75/565124375.db2.gz	YSQPERQDJZWAMW-BNJAHOAWSA-N	0	0	653.681	2.921	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C	ZINC000085489489	291752757	/nfs/dbraw/zinc/75/27/57/291752757.db2.gz	USDGRBIQBGVGOS-IHDQKDFMSA-N	0	0	594.654	2.596	1	0	biogenic,in-vitro	KFAFRN
C[C@@H](C/C=C/c1ccccc1)CC[NH2+]C[C@@]1(O)[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]1Oc1ccc2c(c1)oc(C(N)=O)c(-c1ccc(O)cc1)c2=O	ZINC000085491280	291767356	/nfs/dbraw/zinc/76/73/56/291767356.db2.gz	LUKILHJLWWCQAT-UAHHIDADSA-N	0	0	674.703	2.625	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(O)[C@@H]1[C@@H]2OC(=O)c1ccccc1	ZINC000085492278	291754401	/nfs/dbraw/zinc/75/44/01/291754401.db2.gz	FOSCWOYKONUUII-RNYRKBRWSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@H](OC(C)=O)[C@H](O)C(=C1C)C2(C)C	ZINC000085492333	565126961	/nfs/dbraw/zinc/12/69/61/565126961.db2.gz	HSGNPIWQFGGNCN-CJTCDIRMSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000085492342	565127244	/nfs/dbraw/zinc/12/72/44/565127244.db2.gz	KVCYVYKYUBLZGW-CJTCDIRMSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000085492862	565127802	/nfs/dbraw/zinc/12/78/02/565127802.db2.gz	GHSKUVKACGPNGN-PIXBOFGYSA-N	0	0	636.691	2.748	1	0	biogenic,in-vitro	KFAFRN
CON1c2ccccc2[C@]2(C[C@@H]3N=C([C@H](C)C[C@H]4C(=O)OC[C@@H]5[C@@H](C)C[C@H](O)[C@@H]54)[C@@H]4C[C@H]2OC[C@@H]43)C1=O	ZINC000085504803	291763416	/nfs/dbraw/zinc/76/34/16/291763416.db2.gz	WUEJGUJYZNAXBF-YDBGBWBTSA-N	0	0	508.615	2.913	1	0	biogenic,in-vitro	KFAFRN
COc1ccc(-c2oc3c(ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3CC=C(C)C)c(=O)c2O[C@@H]2C[C@@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H]2O)cc1	ZINC000085504934	565129409	/nfs/dbraw/zinc/12/94/09/565129409.db2.gz	AJIGYPRLWHBJRY-WZHODKBUSA-N	0	0	698.762	2.872	1	0	biogenic,in-vitro	KFAFRN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2	ZINC000085506431	560074511	/nfs/dbraw/zinc/07/45/11/560074511.db2.gz	GTPHHLBEAVQTMM-IZZNHLLZSA-N	0	0	558.492	2.921	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C	ZINC000085540216	565137942	/nfs/dbraw/zinc/13/79/42/565137942.db2.gz	IKDVXNASCSGIHM-VIPBUHRLSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@]12C	ZINC000085540220	291754837	/nfs/dbraw/zinc/75/48/37/291754837.db2.gz	IKDVXNASCSGIHM-XMKDTDFZSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@]1(C)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(C(C)(C)O)C[C@H](O)C(C)=C2[C@@H](O)[C@@H]1O	ZINC000085540222	565138728	/nfs/dbraw/zinc/13/87/28/565138728.db2.gz	GUPOXCSNZNTKGB-HIIWKXPPSA-N	0	0	650.721	2.738	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](O)[C@H](OC(=O)c1ccccc1)[C@]1(C)[C@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]1[C@H]2OC(C)=O	ZINC000085540318	565138670	/nfs/dbraw/zinc/13/86/70/565138670.db2.gz	JHNLDSGPFLFXKC-VIPBUHRLSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3O	ZINC000085540384	291754188	/nfs/dbraw/zinc/75/41/88/291754188.db2.gz	MLYDZECFCXRQOK-IANSKHESSA-N	0	0	534.602	2.746	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1cccnc1	ZINC000085541140	565139101	/nfs/dbraw/zinc/13/91/01/565139101.db2.gz	LISHAQDJMDPPOF-RUQRUFLBSA-N	0	0	653.681	2.968	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C\c3ccccc3)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3O)[C@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1	ZINC000085541353	291753360	/nfs/dbraw/zinc/75/33/60/291753360.db2.gz	JOPWMIMUXCFDEM-HUTQBOIRSA-N	0	0	694.730	2.943	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3O)[C@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1	ZINC000085541356	565139726	/nfs/dbraw/zinc/13/97/26/565139726.db2.gz	ZIWDLLSIYLUZFI-KXXFEKNDSA-N	0	0	668.692	2.544	1	0	biogenic,in-vitro	KFAFRN
CS[C@]12C[C@]3(n4cc(C[C@]5(SC)C(=O)N(C)[C@@](CO)(SC)C(=O)N5C)c5ccccc54)c4ccccc4N[C@@H]3N1C(=O)[C@](CO)(SC)N(C)C2=O	ZINC000085558345	562753261	/nfs/dbraw/zinc/75/32/61/562753261.db2.gz	YDUJBQZOCBSEQA-JLYHLUBJSA-N	0	0	771.025	2.536	1	0		KFAFRN
CCOC(=O)CCc1cc2c([C@H]3CNC(=O)C34CCCC4)coc2c(OC2CCCCC2)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085567257	565142429	/nfs/dbraw/zinc/14/24/29/565142429.db2.gz	YPVDNHCSWOCNIQ-MXPHIWCBSA-N	0	0	631.719	2.593	1	0	biogenic,in-vitro	KFAFRN
CCOC(=O)CCc1cc2c([C@H]3CNC(=O)C34CCCC4)coc2c(OCCCC(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085567272	291759207	/nfs/dbraw/zinc/75/92/07/291759207.db2.gz	QBAGQKNOMSQPTN-MXPHIWCBSA-N	0	0	633.735	2.696	1	0	biogenic,in-vitro	KFAFRN
COc1cc([C@H]2Oc3cc(OC(CO)CO)c4c(c3C[C@H]2O)[C@@H](CCn2ccnc2)Cc2cc(O)ccc2-4)ccc1O	ZINC000085568110	560070266	/nfs/dbraw/zinc/07/02/66/560070266.db2.gz	ZHZHKHKMAXYRPG-ZHWNBNGFSA-O	0	0	575.638	2.888	1	0	biogenic,in-vitro	KFAFRN
COc1cc2cc(C)c(C(=O)CCC(=O)c3cc[nH]c3CCc3ccccc3)c(O)c2c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000085592489	291764774	/nfs/dbraw/zinc/76/47/74/291764774.db2.gz	YVEYLGUMQBPTIL-ZZHBGPORSA-N	0	0	618.659	2.786	1	0	biogenic,in-vitro	KFAFRN
COc1cc2cc(C3CCCC3)c(C(=O)C3CCCC3)c(O)c2c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000085592498	291764776	/nfs/dbraw/zinc/76/47/76/291764776.db2.gz	AHLFPPXHUIRTRV-DCLXZINWSA-N	0	0	516.587	2.763	1	0	biogenic,in-vitro	KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O	ZINC000085593790	562753313	/nfs/dbraw/zinc/75/33/13/562753313.db2.gz	WBLLMCDBMQQWEY-BJPINVTDSA-N	0	0	627.742	2.791	1	0		KFAFRN
COCCC[C@H](/C(=C\c1ccc(O)c(OC)c1)C(=O)O[C@H]1[C@H](O)O[C@@H](C)[C@H](O)[C@H]1OC(C)=O)c1ccccc1	ZINC000085595389	560063968	/nfs/dbraw/zinc/06/39/68/560063968.db2.gz	JXKHFCQCXLWDAS-MGSGBMTGSA-N	0	0	544.597	2.936	1	0	biogenic,in-vitro	KFAFRN
COc1cc(/C=C(\CCc2ccccc2)C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](O)[C@@H]3CC=C[C@@]2(O)O3)ccc1O	ZINC000085595403	560064007	/nfs/dbraw/zinc/06/40/07/560064007.db2.gz	STMTUQGSCDZWSN-HUPUBCGOSA-N	0	0	510.539	2.669	1	0	biogenic,in-vitro	KFAFRN
COc1cc(CC[C@H](OCO)[C@@H]2[C@@H](O)[C@@H](Cc3cc(OC)c(O)c(OC)c3)[C@@H](O)C[C@@H]2Cc2ccc[nH]2)ccc1O	ZINC000085595631	291764459	/nfs/dbraw/zinc/76/44/59/291764459.db2.gz	QUPGQCZBGPMJBW-CZXJGCPDSA-N	0	0	570.659	2.965	1	0	biogenic,in-vitro	KFAFRN
COc1cc(C[C@H]2CC[C@H]3C[C@@H](O)[C@@H](Cc4cc(OC)c(O)c(OC)c4)[C@H](O)[C@@H]3[C@H]2OCO)ccc1O	ZINC000085595655	291764440	/nfs/dbraw/zinc/76/44/40/291764440.db2.gz	ITGIAXPFMGYUFX-HTCRKXIVSA-N	0	0	518.603	2.628	1	0	biogenic,in-vitro	KFAFRN
CC[NH2+][C@H](COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O)[C@H](CC(=O)[O-])Cc1ccnc(N)c1	ZINC000085596574	291758979	/nfs/dbraw/zinc/75/89/79/291758979.db2.gz	DBQQSTHLCNTLGN-LUUVBJOYSA-N	0	0	699.798	2.925	1	0	biogenic,in-vitro	KFAFRN
CC[NH2+][C@H](CCC(=O)[O-])COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O	ZINC000085596629	291758981	/nfs/dbraw/zinc/75/89/81/291758981.db2.gz	WUJZDCABOJOPSL-FBPBVXOASA-N	0	0	549.617	2.871	1	0	biogenic,in-vitro	KFAFRN
COc1cc(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)CCc2ccc(O)c(OCNC[C@H](C)O)c2)ccc1O	ZINC000085632399	560067446	/nfs/dbraw/zinc/06/74/46/560067446.db2.gz	MYNPJIDAOWZLNU-AVHWCYKHSA-N	0	0	525.622	2.881	1	0	biogenic,in-vitro	KFAFRN
CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@H]4C(C)(C)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC2)O1	ZINC000085644557	291757042	/nfs/dbraw/zinc/75/70/42/291757042.db2.gz	JRIHGIGXIKCXNC-ZIEWDBBGSA-N	0	0	524.695	2.902	1	0	biogenic,in-vitro	KFAFRN
CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@H]4C(=O)O[C@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)[C@@H]1O	ZINC000085645783	560067184	/nfs/dbraw/zinc/06/71/84/560067184.db2.gz	KBZJWPGSJWUHPT-BKNGEUTHSA-N	0	0	520.619	2.588	1	0	biogenic,in-vitro	KFAFRN
COc1ccc(C[C@H]2C(=O)N[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4OC)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2C)N(C)C3=O)cc1	ZINC000085648314	291766095	/nfs/dbraw/zinc/76/60/95/291766095.db2.gz	AOYAGHJWZVPUFX-SQQYMZSVSA-N	0	0	812.965	2.872	1	0	biogenic,in-vitro	KFAFRN
COc1c2c(c(C)c3c1C[C@@H]1[C@@](C)(C[C@H](OC(C)=O)[C@@]45O[C@@](OC)(C[C@H](O)[C@]14C)OC5(C)C)O3)COC2=O	ZINC000085744724	574416772	/nfs/dbraw/zinc/41/67/72/574416772.db2.gz	FGVDMOOUPMLQRT-GUMAKRPGSA-N	0	0	532.586	2.955	1	0	endogenous,in-man	KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(OC)cc3OC)O[C@@]2(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1	ZINC000085838650	560066538	/nfs/dbraw/zinc/06/65/38/560066538.db2.gz	SAGBWAVFZFVBBQ-FDJROCGJSA-N	0	0	506.507	2.856	1	0	biogenic,in-vitro	KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)[C@H](Oc1ccc(C=O)cc1)C(C)C)C(N)=O	ZINC000085845053	560066513	/nfs/dbraw/zinc/06/65/13/560066513.db2.gz	BTRDGIAPANRNSU-YYGZZXRFSA-N	0	0	538.689	2.576	1	0	biogenic,in-vitro	KFAFRN
CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1	ZINC000087529337	562753480	/nfs/dbraw/zinc/75/34/80/562753480.db2.gz	HQEBGENSMXBRMP-GZMZQGJJSA-N	0	0	671.880	2.929	1	0	in-vitro	KFAFRN
COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=NOCC(=O)N3CC[C@@H](F)C3)N2)n1	ZINC000088285548	562753532	/nfs/dbraw/zinc/75/35/32/562753532.db2.gz	PFJWGKIDLLMYNL-OXQOHEQNSA-N	0	0	523.544	2.713	1	0		KFAFRN
CCCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1	ZINC000088386000	562753617	/nfs/dbraw/zinc/75/36/17/562753617.db2.gz	HJESERJRGZLQIY-RBBKRZOGSA-N	0	0	527.944	2.742	1	0		KFAFRN
C[C@H]1O[C@@H](OC[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	ZINC000095098921	290718550	/nfs/dbraw/zinc/71/85/50/290718550.db2.gz	ZJHNHCHPZLSNRB-QMSNONQISA-N	0	0	534.690	2.848	1	0	biogenic,in-vitro	KFAFRN
C[C@H]1O[C@@H](OC[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	ZINC000095098923	290718555	/nfs/dbraw/zinc/71/85/55/290718555.db2.gz	ZJHNHCHPZLSNRB-QYNQUOHXSA-N	0	0	534.690	2.848	1	0	biogenic,in-vitro	KFAFRN
CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O	ZINC000095099223	560062654	/nfs/dbraw/zinc/06/26/54/560062654.db2.gz	UZQOZJNEDXAJEZ-PCMIWTPESA-N	0	0	592.726	2.652	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(O)[C@H](O)C(C)(C)O[C@@H]4[C@@H](C)[C@@H]3[C@@]12C	ZINC000095099365	290682433	/nfs/dbraw/zinc/68/24/33/290682433.db2.gz	IHMRHYCBRKQAFU-CCPRSJHGSA-N	0	0	676.844	2.583	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(O)[C@H](O)C(C)(C)O[C@@H]4[C@@H](C)[C@@H]3[C@@]12C	ZINC000095099367	290682435	/nfs/dbraw/zinc/68/24/35/290682435.db2.gz	IHMRHYCBRKQAFU-LVQFCLPFSA-N	0	0	676.844	2.583	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(O)[C@H](O)C(C)(C)O[C@@H]4[C@@H](C)[C@@H]3[C@@]12C	ZINC000095099369	290682430	/nfs/dbraw/zinc/68/24/30/290682430.db2.gz	CXMFZKKIWJFZLS-SZNLZWPUSA-N	0	0	678.860	2.663	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC(C)(C)[C@@H]1O[C@]23O[C@H]1C[C@H](C)[C@@H]2[C@]1(C)[C@@H](O)C[C@@]24C[C@@]25CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@@H]4[C@@]1(C)[C@@H]3O	ZINC000095099482	565173419	/nfs/dbraw/zinc/17/34/19/565173419.db2.gz	DTRXWGGYGZBFKB-DHBJBZKPSA-N	0	0	678.860	2.663	1	0	biogenic,in-vitro	KFAFRN
CC(C)[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(C)C	ZINC000095536680	562754017	/nfs/dbraw/zinc/75/40/17/562754017.db2.gz	CFLDTNCMNVSKDS-LXOACTCTSA-N	0	0	794.990	2.652	1	0		KFAFRN
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	562754071	/nfs/dbraw/zinc/75/40/71/562754071.db2.gz	WLYNDFORMMSZMF-JJSBKWSJSA-N	0	0	770.693	2.563	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)CCCCC(=O)Nc4cc5ccc(O[C@@H]6OC(C)(C)[C@H](OC)[C@@H](O)[C@H]6O)cc5oc4=O)c(=O)oc3c2)OC1(C)C	ZINC000095537380	562754381	/nfs/dbraw/zinc/75/43/81/562754381.db2.gz	WGVTZWPHKUZZNV-VJNHOFHRSA-N	0	0	812.822	2.538	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)N[C@H]1Cc2c3ccccc3[nH]c2CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1=O	ZINC000095537463	562754378	/nfs/dbraw/zinc/75/43/78/562754378.db2.gz	KWZDTHCITDNKGD-LBVVFWMFSA-N	0	0	809.965	2.544	1	0		KFAFRN
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(Br)cc1	ZINC000095537527	562754417	/nfs/dbraw/zinc/75/44/17/562754417.db2.gz	KMCPADNCYUSKET-CMDFPJPRSA-N	0	0	790.701	2.770	1	0		KFAFRN
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(Br)cc1	ZINC000095537528	562754404	/nfs/dbraw/zinc/75/44/04/562754404.db2.gz	KMCPADNCYUSKET-IPKYDJNASA-N	0	0	790.701	2.770	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1	ZINC000095538126	562754487	/nfs/dbraw/zinc/75/44/87/562754487.db2.gz	ZYLVQPASFHVYLW-YOUWDLPQSA-N	0	0	786.971	2.891	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1	ZINC000095538215	562754560	/nfs/dbraw/zinc/75/45/60/562754560.db2.gz	YSAMPRCIKYXLQH-WTKUDJHFSA-N	0	0	772.944	2.717	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(c2ccccc2)CCCC1	ZINC000095538242	562754575	/nfs/dbraw/zinc/75/45/75/562754575.db2.gz	MCJKCKCFVQLMJM-BLCGHGNJSA-N	0	0	772.944	2.501	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1	ZINC000095538245	562754579	/nfs/dbraw/zinc/75/45/79/562754579.db2.gz	YSAMPRCIKYXLQH-NLRUBANBSA-N	0	0	772.944	2.717	1	0		KFAFRN
CCCC[C@@H]([NH3+])CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1=O)[C@@H](C)CC	ZINC000095538340	562754689	/nfs/dbraw/zinc/75/46/89/562754689.db2.gz	LABMEDHNXNWFBJ-ZFSWLMJESA-N	0	0	784.955	2.740	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000095538345	562754684	/nfs/dbraw/zinc/75/46/84/562754684.db2.gz	HBTKHGJMLKXJGS-XZUOCMGYSA-N	0	0	796.966	2.690	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(c2ccccc2)CCCCC1	ZINC000095538351	562754679	/nfs/dbraw/zinc/75/46/79/562754679.db2.gz	MEADKDZQPOPREB-YOUWDLPQSA-N	0	0	786.971	2.891	1	0		KFAFRN
CC(C)=C[C@H](NC(=O)C(C)(C)C)[C@@H](O)C(=O)O[C@@H]1C(C)=C2[C@@H](O)C(=O)[C@@]3(C)[C@H]([C@H](OC(=O)c4ccccc4)[C@@]4(OC(=O)O[C@@H]14)C2(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]3O	ZINC000095538457	562754808	/nfs/dbraw/zinc/75/48/08/562754808.db2.gz	UNRNLCHTZWQHHI-CVJDRZPJSA-N	0	0	811.878	2.644	1	0		KFAFRN
CNC(=O)c1cc(C(=O)N[C@@H](COCc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)cc(N(C)S(C)(=O)=O)c1	ZINC000095538458	562754801	/nfs/dbraw/zinc/75/48/01/562754801.db2.gz	GVKYDQWBJNYKLF-RFJJDEQASA-N	0	0	759.873	2.880	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)C(C)(C)C)[C@@H]4OC(=O)O[C@]4([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095539260	562754934	/nfs/dbraw/zinc/75/49/34/562754934.db2.gz	IZIAUJVTHSLCDP-CVJDRZPJSA-N	0	0	813.894	2.724	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)C(C)(C)C)c4ccco4)[C@@H]4OC(=O)O[C@]4([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095539290	562754948	/nfs/dbraw/zinc/75/49/48/562754948.db2.gz	KJVFLMGXLDEQHH-DGDIFURJSA-N	0	0	823.845	2.643	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O	ZINC000095539369	562754988	/nfs/dbraw/zinc/75/49/88/562754988.db2.gz	BURZSOVQJHLFRC-UZPVMMMDSA-N	0	0	813.009	2.896	1	0		KFAFRN
CNC(=O)c1c2cc(C3CC3)c(N(CCOC(=O)CCC(=O)OC[C@H]3O[C@@H](n4cnc(C(N)=O)n4)[C@@H]4OC(C)(C)O[C@H]34)S(C)(=O)=O)cc2oc1-c1ccc(F)cc1	ZINC000095540266	562755602	/nfs/dbraw/zinc/75/56/02/562755602.db2.gz	KHKUSHBQGGXKHF-UETQYXGNSA-N	0	0	812.830	2.917	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](Oc2c(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3oc2-c2ccc(OC(C)=O)c(OC(C)=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095540293	562755636	/nfs/dbraw/zinc/75/56/36/562755636.db2.gz	TVRPKUGAMSRLJH-CHLLVNLZSA-N	0	0	800.675	2.623	1	0		KFAFRN
CC(=O)OC1=C2C(C)[C@@H]3C[C@](O)([C@@H](OC(=O)C[C@@H](C)CCCCCOC(=O)N[C@@H](CC(C)C)[C@@H](O)C(=O)O3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000095540454	562755763	/nfs/dbraw/zinc/75/57/63/562755763.db2.gz	NIGQYHNPDJEBRN-KZWWMBFQSA-N	0	0	807.931	2.992	1	0		KFAFRN
C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095540672	562755920	/nfs/dbraw/zinc/75/59/20/562755920.db2.gz	HEURYSWBWQAXDP-CUPIEXAXSA-N	0	0	754.889	2.598	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095541416	562756063	/nfs/dbraw/zinc/75/60/63/562756063.db2.gz	SDZWAWZTGFFXPX-DXEPEHEDSA-N	0	0	786.916	2.506	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095541654	562756234	/nfs/dbraw/zinc/75/62/34/562756234.db2.gz	FWMWUBYABDNYGG-VCVYQWHSSA-N	0	0	806.906	2.833	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095541655	562756224	/nfs/dbraw/zinc/75/62/24/562756224.db2.gz	FWMWUBYABDNYGG-SULWTSONSA-N	0	0	806.906	2.833	1	0		KFAFRN
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1	ZINC000095541742	562756329	/nfs/dbraw/zinc/75/63/29/562756329.db2.gz	TVDFBDUUUUHTCI-IPCDWFNJSA-N	0	0	750.897	2.861	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccco3)C(C)=C([C@@H](O)[C@H]1O)C2(C)C	ZINC000095542002	562756468	/nfs/dbraw/zinc/75/64/68/562756468.db2.gz	LVFMNVZIKNYBNL-YCAWYHPDSA-N	0	0	799.867	2.644	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095542197	562756543	/nfs/dbraw/zinc/75/65/43/562756543.db2.gz	KKLHKXVCPLLMAN-UYWLBBHKSA-N	0	0	787.900	2.791	1	0		KFAFRN
CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000095542261	562756608	/nfs/dbraw/zinc/75/66/08/562756608.db2.gz	VUDLAQBPZZGWRS-GIPZDZGWSA-N	0	0	803.899	2.660	1	0		KFAFRN
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CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C	ZINC000095548253	562759202	/nfs/dbraw/zinc/75/92/02/562759202.db2.gz	AYXFOEUUYPIYEV-DMAMRVJRSA-N	0	0	773.013	2.892	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C	ZINC000095548254	562759187	/nfs/dbraw/zinc/75/91/87/562759187.db2.gz	AYXFOEUUYPIYEV-SYHTYIPGSA-N	0	0	773.013	2.892	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C	ZINC000095548255	562759192	/nfs/dbraw/zinc/75/91/92/562759192.db2.gz	AYXFOEUUYPIYEV-KJTKZBPOSA-N	0	0	773.013	2.892	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095548285	562759244	/nfs/dbraw/zinc/75/92/44/562759244.db2.gz	MSUVZFOJWKQQCH-KMRMXSRISA-N	0	0	785.928	2.961	1	0		KFAFRN
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2ccccn2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2ccccn2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C	ZINC000095548313	562759241	/nfs/dbraw/zinc/75/92/41/562759241.db2.gz	KBBBMHGFCVYISD-CXPJILFNSA-N	0	0	768.912	2.777	1	0		KFAFRN
CC(C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CSC1=N2	ZINC000095550569	562760248	/nfs/dbraw/zinc/76/02/48/562760248.db2.gz	RBBBWKUBQVARPL-SWQMWMPHSA-N	0	0	743.956	2.800	1	0		KFAFRN
CCC(NC(=O)OC(C)(C)C)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(O)C(OC(C)=O)C(=C1C)C2(C)C	ZINC000095550588	562760279	/nfs/dbraw/zinc/76/02/79/562760279.db2.gz	VUDLAQBPZZGWRS-WZQVIYPMSA-N	0	0	803.899	2.660	1	0		KFAFRN
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1[C@H](O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H]1COC(=O)[C@@H]1C2)OCO3	ZINC000095550994	562760300	/nfs/dbraw/zinc/76/03/00/562760300.db2.gz	KGVLVUVKRHHOTN-SZXVJYDJSA-N	0	0	744.699	2.594	1	0		KFAFRN
CC(=O)Oc1ccc(/C=C/C(=O)OC[C@H]2O[C@]3(COC(C)(C)O[C@H]4[C@H](O[C@@H]5COC(C)(C)O[C@H]5[C@@H]4O)O3)[C@@H](OC(=O)/C=C/c3ccc(OC(C)=O)cc3)[C@@H]2O)cc1	ZINC000095551585	562760328	/nfs/dbraw/zinc/76/03/28/562760328.db2.gz	DTYDKYOCAFOVJC-KCVCZNFLSA-N	0	0	798.791	2.580	1	0		KFAFRN
COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)NCCC(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OCO3)OCO2	ZINC000095551688	562760400	/nfs/dbraw/zinc/76/04/00/562760400.db2.gz	PXKUVXJVIUPDCC-UHFFFAOYSA-N	0	0	771.710	2.591	1	0		KFAFRN
COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)N[C@@H](C)C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OCO3)OCO2	ZINC000095551781	562760429	/nfs/dbraw/zinc/76/04/29/562760429.db2.gz	ZKSOVWFQILKFSJ-SFHVURJKSA-N	0	0	771.710	2.590	1	0		KFAFRN
CC(C)C1NC(=O)C2N=C(OC2C)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CSC(=N2)C(Cc2ccccc2)NC(=O)C2CSC1=N2	ZINC000095551981	562760531	/nfs/dbraw/zinc/76/05/31/562760531.db2.gz	RBBBWKUBQVARPL-WDFQIUHBSA-N	0	0	743.956	2.800	1	0		KFAFRN
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCCO3)n2CCC1CCN(C(=O)CO)CC1	ZINC000095552260	562760622	/nfs/dbraw/zinc/76/06/22/562760622.db2.gz	MURDJFILSUMURV-UHFFFAOYSA-N	0	0	549.451	2.714	1	0		KFAFRN
CCc1nc2ccccc2n1-c1nc2cc(CN3CCN(S(C)(=O)=O)CC3)sc2c(N2CCOCC2)n1	ZINC000095552493	562760728	/nfs/dbraw/zinc/76/07/28/562760728.db2.gz	NZLCSWCXKHCYFY-UHFFFAOYSA-N	0	0	541.703	2.506	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](/C=C/C(=O)OCc2ccc3n[nH]cc3c2)CCC(N)=O)C(C)C)no1	ZINC000095552544	562760696	/nfs/dbraw/zinc/76/06/96/562760696.db2.gz	BXSPWNMFTXFZTB-DLQLBYIMSA-N	0	0	675.718	2.530	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](/C=C/C(=O)OCc2ccc3[nH]cnc3c2)CCC(N)=O)C(C)C)no1	ZINC000095552757	562760775	/nfs/dbraw/zinc/76/07/75/562760775.db2.gz	MKHBEFQPQRIGNU-DEDBJZBPSA-N	0	0	675.718	2.530	1	0		KFAFRN
CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1	ZINC000095553124	562760848	/nfs/dbraw/zinc/76/08/48/562760848.db2.gz	MZHWYMOGRPSKKJ-UCGXPXSYSA-N	0	0	561.701	2.853	1	0		KFAFRN
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1	ZINC000095553237	562760943	/nfs/dbraw/zinc/76/09/43/562760943.db2.gz	RBHWMZGUSZDYML-LHVUSNKQSA-N	0	0	561.701	2.709	1	0		KFAFRN
Cn1nnnc1N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c2ncnc3N)CC1	ZINC000095553827	562761020	/nfs/dbraw/zinc/76/10/20/562761020.db2.gz	NXQQYPRJLPVRGW-UHFFFAOYSA-N	0	0	559.454	2.881	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(NCc4ccccc4)nc(N[C@H]4CCCCNC4=O)n3)C2)cc1F	ZINC000095554010	562761109	/nfs/dbraw/zinc/76/11/09/562761109.db2.gz	BTJVBMZQYZDSSY-OFNKIYASSA-N	0	0	568.679	2.569	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@H]4O[C@@H](CCO)CO[C@H]4OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000095554174	562761174	/nfs/dbraw/zinc/76/11/74/562761174.db2.gz	FHFGXZOISSRNIH-VOUWLVCMSA-N	0	0	638.666	2.602	1	0		KFAFRN
CO[C@H](C)CNc1nc(C)c(-c2nc3c(ccnc3C)s2)c(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)n1	ZINC000095554331	562761253	/nfs/dbraw/zinc/76/12/53/562761253.db2.gz	FIUNJPKTIILJBH-XHMIZYAZSA-N	0	0	502.641	2.505	1	0		KFAFRN
CSCCNc1nc(C)c(-c2nc3c(ccnc3C)s2)c(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)n1	ZINC000095554359	562761188	/nfs/dbraw/zinc/76/11/88/562761188.db2.gz	QMNKYFYJYDXGQL-RAKLQZGLSA-N	0	0	504.682	2.833	1	0		KFAFRN
CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1=O)S(=O)(=O)c1ccc(OC)cc1	ZINC000095554392	562761200	/nfs/dbraw/zinc/76/12/00/562761200.db2.gz	FHTHWXMMJLHMHB-ISJGIBHGSA-N	0	0	548.658	2.890	1	0		KFAFRN
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC1CCN(C(=O)CO)CC1	ZINC000095555569	562761557	/nfs/dbraw/zinc/76/15/57/562761557.db2.gz	SCDSEGOZSQRZEU-UHFFFAOYSA-N	0	0	535.424	2.672	1	0		KFAFRN
CN(C)c1nc2ccccc2n1-c1nc2c(nc(CN3CCC(C(C)(C)O)CC3)n2C)c(N2CCOCC2)n1	ZINC000095555655	562761637	/nfs/dbraw/zinc/76/16/37/562761637.db2.gz	SUPBDTZKRDSWGT-UHFFFAOYSA-N	0	0	533.681	2.588	1	0	in-vitro	KFAFRN
Cc1nc2ccccc2n1-c1nc2cc(CN3CCN(C(C)(C)C(N)=O)CC3)sc2c(N2CCOCC2)n1	ZINC000095555675	562761579	/nfs/dbraw/zinc/76/15/79/562761579.db2.gz	VEPWTRQLXLDABP-UHFFFAOYSA-N	0	0	534.690	2.557	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(C(=O)N(C)C)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000095556335	562761723	/nfs/dbraw/zinc/76/17/23/562761723.db2.gz	GFOFSZZGBBJUPO-XCRMWBDFSA-N	0	0	533.577	2.829	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](/C=C/C(=O)OCc2cn3cccc(C)c3n2)CCC(N)=O)C(C)C)no1	ZINC000095556430	562761785	/nfs/dbraw/zinc/76/17/85/562761785.db2.gz	SEJNFOSFYHJHLQ-VLBJTZDPSA-N	0	0	689.745	2.610	1	0		KFAFRN
CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)[C@H](O)[C@@H]1O	ZINC000095556438	562761770	/nfs/dbraw/zinc/76/17/70/562761770.db2.gz	UDNKBMZDLBECOT-SCFUHWHPSA-N	0	0	505.896	2.651	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@@H]4O[C@@H](CCO)CO[C@@H]4OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000095556952	562761913	/nfs/dbraw/zinc/76/19/13/562761913.db2.gz	FHFGXZOISSRNIH-SEQXORCOSA-N	0	0	638.666	2.602	1	0		KFAFRN
COCC1(CNc2nc(C)c(-c3nc4c(ccnc4C)s3)c(N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)n2)CC1	ZINC000095557124	562762056	/nfs/dbraw/zinc/76/20/56/562762056.db2.gz	NJVVXJJTHYLLMG-HDIOYNLWSA-N	0	0	528.679	2.897	1	0		KFAFRN
COC[C@@H](C)Nc1nc(C)c(-c2nc3c(ccnc3C)s2)c(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)n1	ZINC000095557171	562762064	/nfs/dbraw/zinc/76/20/64/562762064.db2.gz	UKWFTIWTUVUSGA-XHMIZYAZSA-N	0	0	502.641	2.505	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@@H]4O[C@@H](CCO)CO[C@H]4OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000095557391	562762183	/nfs/dbraw/zinc/76/21/83/562762183.db2.gz	FHFGXZOISSRNIH-VVGMJCCQSA-N	0	0	638.666	2.602	1	0		KFAFRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@H]4O[C@@H](CCO)CO[C@@H]4OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000095557594	562762156	/nfs/dbraw/zinc/76/21/56/562762156.db2.gz	FHFGXZOISSRNIH-UJJRIMBNSA-N	0	0	638.666	2.602	1	0		KFAFRN
O=C(N[C@H]1CCCC[C@@H]1O)c1cc(CN2CCN(c3cc4scnc4cn3)CC2)c2ccccn2c1=O	ZINC000095557940	562762273	/nfs/dbraw/zinc/76/22/73/562762273.db2.gz	LRIKGCLRMYSYQF-REWPJTCUSA-N	0	0	518.643	2.660	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccccc1	ZINC000095558021	562762275	/nfs/dbraw/zinc/76/22/75/562762275.db2.gz	IJWNQGVNAGDVSP-YDSYCJDCSA-N	0	0	771.919	2.913	1	0		KFAFRN
COc1cc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c(OC)cc3c2=O)c(OC)c2c1OCO2	ZINC000095558282	562762413	/nfs/dbraw/zinc/76/24/13/562762413.db2.gz	FZMZKGCOVXYPAW-UZSHNUJDSA-N	0	0	702.618	2.676	1	0		KFAFRN
COc1cc(-c2coc3cc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c(OC)cc3c2=O)c(OC)c2c1OCO2	ZINC000095558283	562762383	/nfs/dbraw/zinc/76/23/83/562762383.db2.gz	FZMZKGCOVXYPAW-OBYZGJRDSA-N	0	0	702.618	2.676	1	0		KFAFRN
CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cnc2c1nc(N)nc2N)OCOC(=O)C(C)(C)C	ZINC000095558698	562762498	/nfs/dbraw/zinc/76/24/98/562762498.db2.gz	DOAVLSHCFDEMLD-BQYQJAHWSA-N	0	0	512.504	2.867	1	0		KFAFRN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCN3CCC[C@H]3CO)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000095559124	562762632	/nfs/dbraw/zinc/76/26/32/562762632.db2.gz	RNZVQSAQQSBNQY-UGKGYDQZSA-N	0	0	511.619	2.732	1	0		KFAFRN
COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(C)=O	ZINC000095561533	562763447	/nfs/dbraw/zinc/76/34/47/562763447.db2.gz	NXOLVCWNMJCYBQ-URXFXBBRSA-N	0	0	531.583	2.603	1	0		KFAFRN
COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(C)=O	ZINC000095561534	562763448	/nfs/dbraw/zinc/76/34/48/562763448.db2.gz	NXOLVCWNMJCYBQ-XUZZJYLKSA-N	0	0	531.583	2.603	1	0		KFAFRN
CC(C)(C)C(=O)OCOP(=O)(CC=CCn1cnc2c1nc(N)[nH]c2=O)OCOC(=O)C(C)(C)C	ZINC000095561604	562763476	/nfs/dbraw/zinc/76/34/76/562763476.db2.gz	HUAMHFXSFKZQGF-BQYQJAHWSA-N	0	0	513.488	2.578	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2ccc(O)c(-c3ccc(C(C)(C)C)cc3)c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095562275	562763633	/nfs/dbraw/zinc/76/36/33/562763633.db2.gz	APZPWWFEDDEOCI-HBAHCVPVSA-N	0	0	501.532	2.842	1	0		KFAFRN
COC(=O)c1c(Cc2ccc(S(=O)(=O)N3CCNCC3)cc2)c(=O)c2ccc(C)nc2n1-c1ccccc1	ZINC000095562709	562763775	/nfs/dbraw/zinc/76/37/75/562763775.db2.gz	NIHQLDJHBMNLCZ-UHFFFAOYSA-N	0	0	532.622	2.665	1	0		KFAFRN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCN3CCC[C@H](O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000095562944	562763842	/nfs/dbraw/zinc/76/38/42/562763842.db2.gz	YAGNRHBMSJSKII-UGKGYDQZSA-N	0	0	511.619	2.732	1	0		KFAFRN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCN3CCC[C@@H](O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000095562945	562763856	/nfs/dbraw/zinc/76/38/56/562763856.db2.gz	YAGNRHBMSJSKII-KNQAVFIVSA-N	0	0	511.619	2.732	1	0		KFAFRN
COCCN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl	ZINC000095563500	562763997	/nfs/dbraw/zinc/76/39/97/562763997.db2.gz	GLCIVEQBDOXJQU-UHFFFAOYSA-N	0	0	514.399	2.505	1	0		KFAFRN
CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)NC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1	ZINC000095564091	562764171	/nfs/dbraw/zinc/76/41/71/562764171.db2.gz	MFLYVBSEKPNJNJ-MVTDWJHSSA-N	0	0	751.970	2.966	1	0		KFAFRN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCN3CCC[C@@H]3CO)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000095564227	562764202	/nfs/dbraw/zinc/76/42/02/562764202.db2.gz	RNZVQSAQQSBNQY-KNQAVFIVSA-N	0	0	511.619	2.732	1	0		KFAFRN
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4c5cc[nH]c5ccc4F)nc(N4CCOCC4)c3s2)CC1	ZINC000095564549	562764359	/nfs/dbraw/zinc/76/43/59/562764359.db2.gz	FKCUBZTUTDWHIN-UHFFFAOYSA-N	0	0	530.651	2.893	1	0		KFAFRN
CC(=O)Nc1cc(CO[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](O[C@H]3O[C@H]4CO[C@@H](c5ccc(Cl)cc5)O[C@@H]4[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)ccc1Cl	ZINC000095564566	562764349	/nfs/dbraw/zinc/76/43/49/562764349.db2.gz	STLGQHUJOFQQGK-AVQIVJROSA-N	0	0	750.581	2.718	1	0		KFAFRN
CC(=O)Nc1cc(CO[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](O[C@H]3O[C@H]4CO[C@@H](c5ccc(Cl)cc5)O[C@H]4[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)ccc1Cl	ZINC000095564567	562764356	/nfs/dbraw/zinc/76/43/56/562764356.db2.gz	STLGQHUJOFQQGK-LVTVWVQKSA-N	0	0	750.581	2.718	1	0		KFAFRN
CC(=O)Nc1cc(CO[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](O[C@H]3O[C@@H]4CO[C@@H](c5ccc(Cl)cc5)O[C@@H]4[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)ccc1Cl	ZINC000095564568	562764344	/nfs/dbraw/zinc/76/43/44/562764344.db2.gz	STLGQHUJOFQQGK-RWPHPCNHSA-N	0	0	750.581	2.718	1	0		KFAFRN
CC(=O)Nc1cc(CO[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](O[C@H]3O[C@@H]4CO[C@@H](c5ccc(Cl)cc5)O[C@H]4[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)ccc1Cl	ZINC000095564569	562764368	/nfs/dbraw/zinc/76/43/68/562764368.db2.gz	STLGQHUJOFQQGK-PMEKDBMGSA-N	0	0	750.581	2.718	1	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(cccc2N(C)C)C1=O	ZINC000095568136	562766361	/nfs/dbraw/zinc/76/63/61/562766361.db2.gz	VUMZBNJYQWERTF-GSHUGGBRSA-N	0	0	510.056	2.947	1	0		KFAFRN
C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccc3c(c1)OCO3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O	ZINC000095568907	562767006	/nfs/dbraw/zinc/76/70/06/562767006.db2.gz	AVPQTLGTPGNTAF-YYXFMYSKSA-N	0	0	516.616	2.989	1	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2cnccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O	ZINC000095571139	562768842	/nfs/dbraw/zinc/76/88/42/562768842.db2.gz	KDJJTCSMQRMMRL-PMAPCBKXSA-N	0	0	500.621	2.585	1	0		KFAFRN
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1	ZINC000095571285	562768952	/nfs/dbraw/zinc/76/89/52/562768952.db2.gz	RFGPXVMTNFVDAR-NPKFRGRUSA-N	0	0	661.799	2.974	1	0		KFAFRN
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(OCc4cccc(Cl)c4)cc3)O2)c(=O)[nH]c1=O	ZINC000095571631	562769168	/nfs/dbraw/zinc/76/91/68/562769168.db2.gz	ZLZZAUUKIRAGFY-HBMCJLEFSA-N	0	0	500.939	2.548	1	0		KFAFRN
CCCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21	ZINC000095571681	562769205	/nfs/dbraw/zinc/76/92/05/562769205.db2.gz	HBVVKJGXOCACRY-RZALLHCWSA-N	0	0	565.491	2.612	1	0		KFAFRN
CCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21	ZINC000095571682	562769235	/nfs/dbraw/zinc/76/92/35/562769235.db2.gz	HBVVKJGXOCACRY-KIKZSHEBSA-N	0	0	565.491	2.612	1	0		KFAFRN
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(OCc4ccccc4Cl)cc3)O2)c(=O)[nH]c1=O	ZINC000095572808	562769491	/nfs/dbraw/zinc/76/94/91/562769491.db2.gz	LDXBKOKDMCUZHG-HBMCJLEFSA-N	0	0	500.939	2.548	1	0		KFAFRN
CC(C)(N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000095572853	562769499	/nfs/dbraw/zinc/76/94/99/562769499.db2.gz	QLYWBOHZDJWRSJ-PBZKNGKRSA-N	0	0	577.502	2.639	1	0		KFAFRN
CC(C)(N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000095572854	562769517	/nfs/dbraw/zinc/76/95/17/562769517.db2.gz	QLYWBOHZDJWRSJ-KQZCZMNISA-N	0	0	577.502	2.639	1	0		KFAFRN
O=C(OCc1ccccc1)[C@@H]1CCCN1[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1	ZINC000095572916	562769558	/nfs/dbraw/zinc/76/95/58/562769558.db2.gz	PIYSRZGSFNSUQD-DLUUYBCLSA-N	0	0	589.513	2.736	1	0		KFAFRN
O=C(OCc1ccccc1)[C@@H]1CCCN1[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1	ZINC000095572917	562769560	/nfs/dbraw/zinc/76/95/60/562769560.db2.gz	PIYSRZGSFNSUQD-FKHYXFCISA-N	0	0	589.513	2.736	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N2CCC[C@H]2C(=O)OCC(C)(C)C)N2CCC[C@H]2C(=O)OCC(C)(C)C)[C@@H](O)[C@@]1(C)O	ZINC000095573035	562769543	/nfs/dbraw/zinc/76/95/43/562769543.db2.gz	ZDVQFNVFEXAAOW-SFNPXLPESA-N	0	0	725.781	2.659	1	0		KFAFRN
CC(=O)SCCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCSC(C)=O)NC(=O)C(C)(C)NC1=O	ZINC000095573153	562769592	/nfs/dbraw/zinc/76/95/92/562769592.db2.gz	FISBIMNWLAHVKP-FDFHNCONSA-N	0	0	584.805	2.536	1	0		KFAFRN
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000095573414	562769659	/nfs/dbraw/zinc/76/96/59/562769659.db2.gz	HGQKZYIGPOAQFA-ZDUSSCGKSA-N	0	0	518.533	2.992	1	0		KFAFRN
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(O)CC1)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000095573415	562769655	/nfs/dbraw/zinc/76/96/55/562769655.db2.gz	HGQKZYIGPOAQFA-CYBMUJFWSA-N	0	0	518.533	2.992	1	0		KFAFRN
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(OCc4ccc(Cl)cc4)cc3)O2)c(=O)[nH]c1=O	ZINC000095573956	562769861	/nfs/dbraw/zinc/76/98/61/562769861.db2.gz	LBUDPNDVADBXRV-HBMCJLEFSA-N	0	0	500.939	2.548	1	0		KFAFRN
CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC2CCCCC2)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)O	ZINC000095574128	562769883	/nfs/dbraw/zinc/76/98/83/562769883.db2.gz	WPPYXXBSGSSTCK-GBCVKTSPSA-N	0	0	711.754	2.649	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C(=O)OCC(C)(C)C)C(C)C)N[C@H](C(=O)OCC(C)(C)C)C(C)C)[C@@H](O)[C@@]1(C)O	ZINC000095574183	562769914	/nfs/dbraw/zinc/76/99/14/562769914.db2.gz	QSOPVFXBBLGECH-CIXIFZBYSA-N	0	0	729.813	2.958	1	0		KFAFRN
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CO)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000095575087	562770199	/nfs/dbraw/zinc/77/01/99/562770199.db2.gz	UVDVVVRYFIDUJR-BBRMVZONSA-N	0	0	518.533	2.992	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCC1CC1	ZINC000095575152	562770175	/nfs/dbraw/zinc/77/01/75/562770175.db2.gz	QKJUFISUDYFZQF-ICHPBRHISA-N	0	0	577.502	2.612	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCC1CC1	ZINC000095575153	562770184	/nfs/dbraw/zinc/77/01/84/562770184.db2.gz	QKJUFISUDYFZQF-UKQLKEMXSA-N	0	0	577.502	2.612	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCc2ccc(F)cc2F)N[C@@H](C)C(=O)OCc2ccc(F)cc2F)[C@@H](O)[C@@]1(C)O	ZINC000095575402	562770282	/nfs/dbraw/zinc/77/02/82/562770282.db2.gz	YWRCLMGVOOQDQF-IFAITELYSA-N	0	0	785.645	2.551	1	0		KFAFRN
CCCCCOC(=O)[C@H](CCSC)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1	ZINC000095575650	562770386	/nfs/dbraw/zinc/77/03/86/562770386.db2.gz	OBWKKVUYLHAZDR-CAZGIUOPSA-N	0	0	603.606	2.973	1	0		KFAFRN
CCCCCOC(=O)[C@H](CCSC)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1	ZINC000095575651	562770368	/nfs/dbraw/zinc/77/03/68/562770368.db2.gz	OBWKKVUYLHAZDR-NJBNSTSBSA-N	0	0	603.606	2.973	1	0		KFAFRN
COc1ccc(-c2nccnc2N2CCN(S(=O)(=O)c3cccc(-c4cnc(N)nc4)c3)CC2)cc1	ZINC000095576069	562770540	/nfs/dbraw/zinc/77/05/40/562770540.db2.gz	VGUHRTKUZHTCRX-UHFFFAOYSA-N	0	0	503.588	2.702	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCC1	ZINC000095576851	562770729	/nfs/dbraw/zinc/77/07/29/562770729.db2.gz	OLUGXJJLMCUCNR-ICHPBRHISA-N	0	0	577.502	2.755	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCC1	ZINC000095576852	562770762	/nfs/dbraw/zinc/77/07/62/562770762.db2.gz	OLUGXJJLMCUCNR-UKQLKEMXSA-N	0	0	577.502	2.755	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(OCc4ccccc4Cl)cc3)O2)c(=O)[nH]c1=O	ZINC000095576893	562770796	/nfs/dbraw/zinc/77/07/96/562770796.db2.gz	LDXBKOKDMCUZHG-PWRODBHTSA-N	0	0	500.939	2.548	1	0		KFAFRN
Cc1ccc2nc(-c3ccc(NC(=O)NC[C@H]4O[C@H](n5cc(C)c(=O)[nH]c5=O)C[C@@H]4O)cc3)sc2c1	ZINC000095576913	562770813	/nfs/dbraw/zinc/77/08/13/562770813.db2.gz	BOBFJBPJMIDXMJ-ZVDOUQERSA-N	0	0	507.572	2.900	1	0		KFAFRN
CCOC(=O)C(C)(C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21	ZINC000095576938	562770776	/nfs/dbraw/zinc/77/07/76/562770776.db2.gz	MFISOSICJLQECP-YDAOZMLUSA-N	0	0	565.491	2.612	1	0		KFAFRN
CCOC(=O)C(C)(C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21	ZINC000095576939	562770784	/nfs/dbraw/zinc/77/07/84/562770784.db2.gz	MFISOSICJLQECP-DHXYDTBBSA-N	0	0	565.491	2.612	1	0		KFAFRN
Cc1ccc2nc(-c3ccc(NC(=O)NC[C@H]4O[C@@H](n5cc(C)c(=O)[nH]c5=O)C[C@@H]4O)cc3)sc2c1	ZINC000095577601	562771006	/nfs/dbraw/zinc/77/10/06/562771006.db2.gz	BOBFJBPJMIDXMJ-QKNQBKEWSA-N	0	0	507.572	2.900	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N2CCC[C@H]2C(=O)OCc2ccccc2)N2CCC[C@H]2C(=O)OCc2ccccc2)[C@@H](O)[C@@]1(C)O	ZINC000095577774	562771067	/nfs/dbraw/zinc/77/10/67/562771067.db2.gz	JLMVJLYLIWZBIR-ZWGUGPNKSA-N	0	0	765.761	2.967	1	0		KFAFRN
CSCC[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000095578222	562771215	/nfs/dbraw/zinc/77/12/15/562771215.db2.gz	VCJCPSDLQDFONU-FKHYXFCISA-N	0	0	623.596	2.983	1	0		KFAFRN
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000095579762	562771662	/nfs/dbraw/zinc/77/16/62/562771662.db2.gz	LAGGXQARFATZQK-AWEZNQCLSA-N	0	0	517.549	2.783	1	0		KFAFRN
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000095579763	562771658	/nfs/dbraw/zinc/77/16/58/562771658.db2.gz	LAGGXQARFATZQK-CQSZACIVSA-N	0	0	517.549	2.783	1	0		KFAFRN
CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3N)c2-c2ccccc2S1(=O)=O	ZINC000095581177	562772092	/nfs/dbraw/zinc/77/20/92/562772092.db2.gz	RJHCKOVMJCSZIG-UHFFFAOYSA-N	0	0	538.611	2.884	1	0		KFAFRN
CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3cccc(N)c3)c2-c2ccccc2S1(=O)=O	ZINC000095581481	562772162	/nfs/dbraw/zinc/77/21/62/562772162.db2.gz	NRCCXYIGXRFUFE-UHFFFAOYSA-N	0	0	538.611	2.884	1	0		KFAFRN
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)[C@H]2SC(S(N)(=O)=O)=C[C@@H]21	ZINC000095581617	562772241	/nfs/dbraw/zinc/77/22/41/562772241.db2.gz	PSMYZBYTIIQVMC-SPNVGXPTSA-N	0	0	722.005	2.676	1	0		KFAFRN
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)[C@@H]2SC(S(N)(=O)=O)=C[C@@H]21	ZINC000095581618	562772248	/nfs/dbraw/zinc/77/22/48/562772248.db2.gz	PSMYZBYTIIQVMC-PUHXEALXSA-N	0	0	722.005	2.676	1	0		KFAFRN
CCN1CCN(C(=O)NCCOc2ccc3sc(CNc4nncc(-c5c(C)cccc5O)n4)nc3c2)C(=O)C1=O	ZINC000095582655	562772675	/nfs/dbraw/zinc/77/26/75/562772675.db2.gz	GKGJMXDWNPLFGE-UHFFFAOYSA-N	0	0	576.639	2.554	1	0		KFAFRN
NC(=O)c1[nH]c2c(cc(Cl)cc2NC2CCOCC2)c1S(=O)(=O)N1CCO[C@H](COc2ccccc2)C1	ZINC000095584450	562773243	/nfs/dbraw/zinc/77/32/43/562773243.db2.gz	JRZZPMZRDIKRME-IBGZPJMESA-N	0	0	549.049	2.980	1	0		KFAFRN
NC(=O)c1[nH]c2c(cc(Cl)cc2NC2CCOCC2)c1S(=O)(=O)N1CCO[C@@H](COc2ccccc2)C1	ZINC000095584451	562773232	/nfs/dbraw/zinc/77/32/32/562773232.db2.gz	JRZZPMZRDIKRME-LJQANCHMSA-N	0	0	549.049	2.980	1	0		KFAFRN
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000095584754	562773344	/nfs/dbraw/zinc/77/33/44/562773344.db2.gz	PDUMXLDHHDXHSL-LTFXUEETSA-N	0	0	536.735	2.965	1	0		KFAFRN
COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C(=O)N(C)C	ZINC000095585905	562773744	/nfs/dbraw/zinc/77/37/44/562773744.db2.gz	RCFKHMOMPCIKFL-ROUUACIJSA-N	0	0	506.607	2.852	1	0		KFAFRN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2S(C)(=O)=O)cc1	ZINC000095586012	562773803	/nfs/dbraw/zinc/77/38/03/562773803.db2.gz	NDQIDSZBEUKRAW-ZAAXVRCTSA-N	0	0	500.625	2.531	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(=O)c1cccnc1)[C@H]2OC(=O)c1ccoc1	ZINC000095586520	562773978	/nfs/dbraw/zinc/77/39/78/562773978.db2.gz	KXWAUJOSCJAHAC-OWFKIMCMSA-N	0	0	643.642	2.561	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C\c3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3O)[C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1	ZINC000095586815	562774094	/nfs/dbraw/zinc/77/40/94/562774094.db2.gz	NNKJYMDNJZVRFF-UDQGFCAVSA-N	0	0	637.682	2.797	1	0		KFAFRN
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2S(C)(=O)=O)cc1	ZINC000095586977	562774162	/nfs/dbraw/zinc/77/41/62/562774162.db2.gz	VQCWJZWGHDLXCC-ZAAXVRCTSA-N	0	0	500.625	2.531	1	0		KFAFRN
CC(C)(C)C(=O)OCn1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c32)n1	ZINC000095587442	562774305	/nfs/dbraw/zinc/77/43/05/562774305.db2.gz	YVNSIGQCAFOGRM-UHFFFAOYSA-N	0	0	561.574	2.675	1	0		KFAFRN
O=C1O[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1c1ccc(N2CCOCC2)c(F)c1	ZINC000095587510	562774338	/nfs/dbraw/zinc/77/43/38/562774338.db2.gz	AEMPCUZPILTLMI-INIZCTEOSA-N	0	0	503.474	2.985	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(=O)c1ccoc1	ZINC000095589179	562774874	/nfs/dbraw/zinc/77/48/74/562774874.db2.gz	KTFFOTYEMQOLKB-HQRXZHMLSA-N	0	0	632.615	2.759	1	0		KFAFRN
O=C1O[C@@H](CNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CN1c1ccc(N2CCOCC2)c(F)c1	ZINC000095589448	562774942	/nfs/dbraw/zinc/77/49/42/562774942.db2.gz	HQWRVBASUGDSDZ-SFHVURJKSA-N	0	0	581.669	2.860	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)CC[C@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3O)[C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1	ZINC000095589608	562774969	/nfs/dbraw/zinc/77/49/69/562774969.db2.gz	NNKJYMDNJZVRFF-WBACSVBBSA-N	0	0	637.682	2.797	1	0		KFAFRN
Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(CO)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O	ZINC000095589930	562775129	/nfs/dbraw/zinc/77/51/29/562775129.db2.gz	QVXUAATWXAEZJT-SFHVURJKSA-N	0	0	505.980	2.809	1	0		KFAFRN
COC(=O)C[C@H]1[C@@]2(C)C[C@]3(O)O[C@]4(CC(=O)[C@H]2O)[C@H](CC[C@@]2(C)[C@H](c5ccoc5)OC(=O)C[C@H]42)[C@]13C	ZINC000095590190	562775228	/nfs/dbraw/zinc/77/52/28/562775228.db2.gz	FGRMZTOWXXCZRL-DEZBPPNSSA-N	0	0	502.560	2.687	1	0		KFAFRN
CC(=O)OCC12C(OC(C)=O)CCC(C)(O)C13OC(C)(C)C(C3OC(=O)c1cccnc1)C(OC(C)=O)C2OC(=O)c1ccoc1	ZINC000095590692	562775339	/nfs/dbraw/zinc/77/53/39/562775339.db2.gz	VTQQVEFTDPJJAG-OWFKIMCMSA-N	0	0	643.642	2.561	1	0		KFAFRN
CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(C(C)=O)CC2)c1	ZINC000095590879	562775407	/nfs/dbraw/zinc/77/54/07/562775407.db2.gz	HMGJTAVXLBSYBT-WUFINQPMSA-N	0	0	522.690	2.815	1	0		KFAFRN
COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@](O)([C@H]2O)[C@@H](c2ccccc2)[C@@H]3C(=O)NCCCCNC(=O)/C(C)=C/CO)cc1	ZINC000095591543	562775649	/nfs/dbraw/zinc/77/56/49/562775649.db2.gz	ZPZIOXSKRNWLQT-QBMUMBBPSA-N	0	0	646.737	2.914	1	0		KFAFRN
COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@@](O)([C@@H](c4ccccc4)[C@@H]2C(=O)NCCCCNC(=O)/C(C)=C/CO)[C@@H]3O)cc1	ZINC000095591544	562775650	/nfs/dbraw/zinc/77/56/50/562775650.db2.gz	ZPZIOXSKRNWLQT-XQBHGEPZSA-N	0	0	646.737	2.914	1	0		KFAFRN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1ncnc2-n1ccc(-c2ccccc2)n1	ZINC000095593169	562776135	/nfs/dbraw/zinc/77/61/35/562776135.db2.gz	ROMMWKYOBYFVRX-UHFFFAOYSA-N	0	0	505.538	2.978	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nccs1	ZINC000095594206	562776407	/nfs/dbraw/zinc/77/64/07/562776407.db2.gz	CQHDOAQOLSWGIJ-LCXINAFSSA-N	0	0	583.755	2.641	1	0		KFAFRN
COc1ccc(S(=O)(=O)[C@@]23CCO[C@@H](CCS(C)(=O)=O)[C@@H]2COc2c(F)ccc(F)c23)cc1	ZINC000095594279	562776464	/nfs/dbraw/zinc/77/64/64/562776464.db2.gz	SWFPZNCSHHEGEI-BPXKWBHBSA-N	0	0	502.557	2.875	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1cccnc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1	ZINC000095594714	562776508	/nfs/dbraw/zinc/77/65/08/562776508.db2.gz	VOKLNKGFAWURBK-GGHZGINBSA-N	0	0	636.775	2.636	1	0		KFAFRN
O=S(=O)(CCO)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12	ZINC000095595639	562776777	/nfs/dbraw/zinc/77/67/77/562776777.db2.gz	RRGXJPZFCIIKFN-BPXKWBHBSA-N	0	0	537.002	2.882	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1	ZINC000095596017	562776890	/nfs/dbraw/zinc/77/68/90/562776890.db2.gz	ORLPJQUZUWTHRB-QIBSBUDHSA-N	0	0	651.786	2.946	1	0		KFAFRN
CCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC	ZINC000095596610	562777050	/nfs/dbraw/zinc/77/70/50/562777050.db2.gz	FWCHVMZKZHIGMP-ABNLYDASSA-N	0	0	531.562	2.761	1	0		KFAFRN
COc1ccccc1-c1ccn(-c2ncnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c32)n1	ZINC000095596830	562777091	/nfs/dbraw/zinc/77/70/91/562777091.db2.gz	LKXCVGWVDNNAQY-UHFFFAOYSA-N	0	0	535.564	2.987	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nccs1	ZINC000095597119	562777190	/nfs/dbraw/zinc/77/71/90/562777190.db2.gz	JIJYPKRSLLLZJM-QESAQDPVSA-N	0	0	571.700	2.681	1	0		KFAFRN
COc1cc(O)c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000095597404	562777251	/nfs/dbraw/zinc/77/72/51/562777251.db2.gz	NOBKQUIUBJCGKJ-DQTXXJETSA-N	0	0	510.495	2.969	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCC(C)(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nccs1	ZINC000095597597	562777273	/nfs/dbraw/zinc/77/72/73/562777273.db2.gz	GNMWOTPSZTYKTN-MUGJNUQGSA-N	0	0	565.737	2.665	1	0		KFAFRN
COc1ccc(-c2ccn(-c3ncnc4c(C(=O)C(=O)N5CCN(C(=O)c6ccccc6)CC5)c[nH]c43)n2)cc1	ZINC000095597632	562777274	/nfs/dbraw/zinc/77/72/74/562777274.db2.gz	TUZFWLFHKFWODW-UHFFFAOYSA-N	0	0	535.564	2.987	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000095597763	562777301	/nfs/dbraw/zinc/77/73/01/562777301.db2.gz	MOMCEXADCCCZFN-VWLOTQADSA-N	0	0	538.626	2.682	1	0		KFAFRN
CC(C)C[C@@H](NC(=O)c1ccncc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000095597765	562777300	/nfs/dbraw/zinc/77/73/00/562777300.db2.gz	MOMCEXADCCCZFN-RUZDIDTESA-N	0	0	538.626	2.682	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000095598825	562777579	/nfs/dbraw/zinc/77/75/79/562777579.db2.gz	MKFDRGBJPDLEFY-WWMYMODYSA-N	0	0	561.520	2.847	1	0		KFAFRN
Cc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@@H](C)CO)C3=O)n(C)n1	ZINC000095599064	562777717	/nfs/dbraw/zinc/77/77/17/562777717.db2.gz	URKRDHSWJLVIPT-KHOMTPLRSA-N	0	0	569.684	2.522	1	0		KFAFRN
COc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]2CO)cc1	ZINC000095599185	562777844	/nfs/dbraw/zinc/77/78/44/562777844.db2.gz	CUGFMOXJBZJTJZ-DMTNHVFBSA-N	0	0	514.644	2.529	1	0		KFAFRN
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccc(Oc3ccccc3)cc2)O1)NC1CCC1	ZINC000095599453	562778110	/nfs/dbraw/zinc/77/81/10/562778110.db2.gz	RNGSXTATKBQXKT-NMFNBJARSA-N	0	0	530.643	2.836	1	0		KFAFRN
Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)C3CC3)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C	ZINC000095599575	562778190	/nfs/dbraw/zinc/77/81/90/562778190.db2.gz	YMYZWLZOQBNSJX-VBURHUQHSA-N	0	0	527.622	2.953	1	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O	ZINC000095599768	562778305	/nfs/dbraw/zinc/77/83/05/562778305.db2.gz	KCZKBWQZTSGDME-TYPXCFOJSA-N	0	0	601.747	2.957	1	0		KFAFRN
CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1	ZINC000095599917	562778439	/nfs/dbraw/zinc/77/84/39/562778439.db2.gz	OHHWUSSTVAUIQP-WWEVIYMKSA-N	0	0	509.559	2.965	1	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](C[NH+](C)C)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O	ZINC000095600085	562778644	/nfs/dbraw/zinc/77/86/44/562778644.db2.gz	ULMVXXWMSACXHE-HSGJQSDISA-N	0	0	565.737	2.578	1	0		KFAFRN
CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)Nc2ccccc2N=C1CC	ZINC000095600234	562778770	/nfs/dbraw/zinc/77/87/70/562778770.db2.gz	JCKGIOBAOAZJMN-UHFFFAOYSA-N	0	0	542.614	2.829	1	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O	ZINC000095600237	562778766	/nfs/dbraw/zinc/77/87/66/562778766.db2.gz	MLGOEVOOOJSBLY-PONJGIIJSA-N	0	0	522.599	2.581	1	0		KFAFRN
Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000095600532	562778998	/nfs/dbraw/zinc/77/89/98/562778998.db2.gz	WUWIXJZMNVETNN-VKIDHGPPSA-N	0	0	598.722	2.942	1	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O	ZINC000095600539	562778941	/nfs/dbraw/zinc/77/89/41/562778941.db2.gz	FQQUNKZNJWRVJP-YDIMBITNSA-N	0	0	506.665	2.908	1	0		KFAFRN
COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@H]2CO)cc1	ZINC000095600663	562779103	/nfs/dbraw/zinc/77/91/03/562779103.db2.gz	CUGFMOXJBZJTJZ-DMDYGQEQSA-N	0	0	514.644	2.529	1	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000095600856	562779243	/nfs/dbraw/zinc/77/92/43/562779243.db2.gz	QFZJHZHMVOYDKX-AVYPCKFXSA-N	0	0	565.483	2.678	1	0		KFAFRN
COc1ccc(OCCN2C[C@H]3CCC[C@@H](C2=O)N3C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000095601033	562779412	/nfs/dbraw/zinc/77/94/12/562779412.db2.gz	PLKKCLVMJKZZQP-QUCCMNQESA-N	0	0	542.585	2.583	1	0		KFAFRN
COc1ccc(OCCN2CC[C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC	ZINC000095601094	562779444	/nfs/dbraw/zinc/77/94/44/562779444.db2.gz	ZRLORMGNOHTVCB-UZLBHIALSA-N	0	0	547.655	2.830	1	0	in-vitro	KFAFRN
COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]2CO)cc1	ZINC000095601282	562779546	/nfs/dbraw/zinc/77/95/46/562779546.db2.gz	CUGFMOXJBZJTJZ-LGPLSSKUSA-N	0	0	514.644	2.529	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncc(Br)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1	ZINC000095601290	562779557	/nfs/dbraw/zinc/77/95/57/562779557.db2.gz	RBKHQDVGCDKRON-FTRWYGJKSA-N	0	0	526.453	2.693	1	0		KFAFRN
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)O3)cc1	ZINC000095601652	562779690	/nfs/dbraw/zinc/77/96/90/562779690.db2.gz	YTFFTIUHQRTJOX-SYZUXVNWSA-N	0	0	631.773	2.966	1	0		KFAFRN
CS(=O)(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1	ZINC000095601875	562779779	/nfs/dbraw/zinc/77/97/79/562779779.db2.gz	BUEZCOGPQVGDGL-NSHDSACASA-N	0	0	589.189	2.846	1	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O	ZINC000095601969	562779853	/nfs/dbraw/zinc/77/98/53/562779853.db2.gz	ALMZLTCZDBQIFW-YCRNBWNJSA-N	0	0	570.672	2.605	1	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ncc(Br)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1	ZINC000095602290	562780001	/nfs/dbraw/zinc/78/00/01/562780001.db2.gz	RBKHQDVGCDKRON-TWOQFEAHSA-N	0	0	526.453	2.693	1	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000095602378	562780040	/nfs/dbraw/zinc/78/00/40/562780040.db2.gz	QFZJHZHMVOYDKX-MDOVXXIYSA-N	0	0	565.483	2.678	1	0		KFAFRN
COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC	ZINC000095602487	562780115	/nfs/dbraw/zinc/78/01/15/562780115.db2.gz	LKFOEMMDLYEDRW-SFHVURJKSA-N	0	0	522.601	2.772	1	0	in-vitro	KFAFRN
COc1ccc(OCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC	ZINC000095602488	562780119	/nfs/dbraw/zinc/78/01/19/562780119.db2.gz	LKFOEMMDLYEDRW-GOSISDBHSA-N	0	0	522.601	2.772	1	0		KFAFRN
COc1cc2c(c(OC)c1)[C@]1(C)[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000095602623	562780149	/nfs/dbraw/zinc/78/01/49/562780149.db2.gz	HIJPOZHCWUDBLL-BWGXUDETSA-N	0	0	538.597	2.976	1	0		KFAFRN
CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1	ZINC000095602743	562780176	/nfs/dbraw/zinc/78/01/76/562780176.db2.gz	OHHWUSSTVAUIQP-WXVUKLJWSA-N	0	0	509.559	2.965	1	0		KFAFRN
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Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CS(=O)(=O)c2cccc3ccccc32)NS(C)(=O)=O)CSC1(C)C	ZINC000095615134	562787091	/nfs/dbraw/zinc/78/70/91/562787091.db2.gz	JPMHAERJNUZPPC-CQTJZZDYSA-N	0	0	780.991	2.925	1	0		KFAFRN
CS[C@]12C[C@@]34c5ccccc5N(COC[C@]5(SC)C(=O)N(C)[C@](SC)(Cc6cn3c3ccccc63)C(=O)N5C)[C@@H]4N1C(=O)[C@](CO)(SC)N(C)C2=O	ZINC000095615191	562787167	/nfs/dbraw/zinc/78/71/67/562787167.db2.gz	DOTYKRRRMXXIPL-ISYIGULMSA-N	0	0	783.036	2.925	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](c2c(OC(C)=O)cc3oc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)cc(=O)c3c2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095615275	562787194	/nfs/dbraw/zinc/78/71/94/562787194.db2.gz	KGVULDLYXYKBOH-HCWXOOEKSA-N	0	0	784.676	2.959	1	0		KFAFRN
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)CCCCC(=O)Nc4cc5ccc(O[C@H]6OC(C)(C)[C@@H](OC)[C@H](O)[C@@H]6O)cc5oc4=O)c(=O)oc3c2C)OC1(C)C	ZINC000095615532	562787353	/nfs/dbraw/zinc/78/73/53/562787353.db2.gz	IWMJIXHNAAWSEW-XJAKRHHTSA-N	0	0	826.849	2.846	1	0		KFAFRN
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CS(=O)(=O)c2ccc3ccccc3c2)NS(C)(=O)=O)CSC1(C)C	ZINC000095615587	562787387	/nfs/dbraw/zinc/78/73/87/562787387.db2.gz	GXYYGOCAKCWVMR-GJZXTFMBSA-N	0	0	780.991	2.925	1	0		KFAFRN
CSCC[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O	ZINC000095615641	562787422	/nfs/dbraw/zinc/78/74/22/562787422.db2.gz	SWVJMXXZNXPPSG-QXUMGSNFSA-N	0	0	784.043	2.619	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](Cc3ccc(O)cc3)C(=O)OCCCn3cc(F)c(=O)[nH]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000095615719	562787476	/nfs/dbraw/zinc/78/74/76/562787476.db2.gz	QSVOOBYQRKULJV-LWMTVGAJSA-N	0	0	733.702	2.643	1	0		KFAFRN
C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C	ZINC000095615913	562787631	/nfs/dbraw/zinc/78/76/31/562787631.db2.gz	ADDGUHVEJPNWQZ-WLNUZSSLSA-N	0	0	789.875	2.817	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H]2[C@H]([C@H](C)C=C3OC(=O)[C@@](C)(O)[C@@]32C)[C@]2(C)[C@@H]1[C@@H]1[C@@H](OC(C)=O)C(=O)[C@@]3(O)C[C@@H]4O[C@@H]4[C@H](OC(=O)CC(C)C)[C@]3(C)[C@H]1C[C@@H]2OC(C)=O	ZINC000095617152	562787896	/nfs/dbraw/zinc/78/78/96/562787896.db2.gz	KZLSRGBNLVIVQO-PKZSBVJESA-N	0	0	744.831	2.583	1	0		KFAFRN
CCCOC(=O)[C@H](C)N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21	ZINC000095617327	562787953	/nfs/dbraw/zinc/78/79/53/562787953.db2.gz	FFLVVVJMDQHZMH-PIXYQNEUSA-N	0	0	544.505	2.964	1	0		KFAFRN
CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(F)F)C[C@@](O)([C@@H](OC(=O)c3cccc(F)c3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000095617428	562788024	/nfs/dbraw/zinc/78/80/24/562788024.db2.gz	VCWZPUMNALVEOJ-CWRKUANCSA-N	0	0	841.826	2.862	1	0		KFAFRN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21	ZINC000095617433	562788007	/nfs/dbraw/zinc/78/80/07/562788007.db2.gz	SKCXLYIEEYIVAU-PIXYQNEUSA-N	0	0	544.505	2.963	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ncc(-c4ccncc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000095713741	562788676	/nfs/dbraw/zinc/78/86/76/562788676.db2.gz	HVXYPKLGQFAJQS-OSWQYVSFSA-N	0	0	540.642	2.693	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(C)=O	ZINC000095788037	562789106	/nfs/dbraw/zinc/78/91/06/562789106.db2.gz	CQFLWUBGIUDNJS-OWMKIBRWSA-N	0	0	632.659	2.706	1	0		KFAFRN
CCS(=O)(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12	ZINC000095796363	562789168	/nfs/dbraw/zinc/78/91/68/562789168.db2.gz	QUZRCXDMVHPMHI-QHCPKHFHSA-N	0	0	547.699	2.906	1	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O	ZINC000095848271	562789541	/nfs/dbraw/zinc/78/95/41/562789541.db2.gz	FAJJPZOKCIXSCK-GNMOFYLKSA-N	0	0	623.172	2.542	1	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O	ZINC000095861932	562789683	/nfs/dbraw/zinc/78/96/83/562789683.db2.gz	RJGLVIVTRZATAW-CJYOKPGZSA-N	0	0	622.748	2.634	1	0		KFAFRN
COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H]1CO2	ZINC000095893068	562790273	/nfs/dbraw/zinc/79/02/73/562790273.db2.gz	HUCZTLCWVGQLCW-PFATUAPWSA-N	0	0	507.587	2.627	1	0		KFAFRN
CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1	ZINC000095893104	562790270	/nfs/dbraw/zinc/79/02/70/562790270.db2.gz	OHHWUSSTVAUIQP-DRMXPCRNSA-N	0	0	509.559	2.965	1	0		KFAFRN
CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1cccc(Cl)c1	ZINC000095899117	562790282	/nfs/dbraw/zinc/79/02/82/562790282.db2.gz	FYUSSFRUYFLLAK-PWHSHALESA-N	0	0	533.112	2.992	1	0		KFAFRN
CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1cccc(Cl)c1	ZINC000095899119	562790274	/nfs/dbraw/zinc/79/02/74/562790274.db2.gz	FYUSSFRUYFLLAK-YYDVJCTNSA-N	0	0	533.112	2.992	1	0		KFAFRN
CO[C@@H](CN(C)S(=O)(=O)c1ccc(C)cc1)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1cccc(Cl)c1	ZINC000095899122	562790292	/nfs/dbraw/zinc/79/02/92/562790292.db2.gz	FYUSSFRUYFLLAK-MSYCTHLASA-N	0	0	533.112	2.992	1	0		KFAFRN
COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1	ZINC000095901836	562790302	/nfs/dbraw/zinc/79/03/02/562790302.db2.gz	ZGXOXQUBSYKGRY-WKPJDCFISA-N	0	0	517.582	2.972	1	0		KFAFRN
COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1	ZINC000095901837	562790293	/nfs/dbraw/zinc/79/02/93/562790293.db2.gz	ZGXOXQUBSYKGRY-MJMMSJOPSA-N	0	0	517.582	2.972	1	0		KFAFRN
COc1cccc(-c2cn(CC[C@@H]3CC[C@@H](NS(=O)(=O)c4ccccc4Cl)[C@H](CO)O3)nn2)c1	ZINC000095907569	562790298	/nfs/dbraw/zinc/79/02/98/562790298.db2.gz	DEHVLIJGAJYIBN-WEYGHZABSA-N	0	0	507.012	2.884	1	0		KFAFRN
COc1cccc(-c2cn(CC[C@@H]3CC[C@H](NS(=O)(=O)c4ccccc4Cl)[C@H](CO)O3)nn2)c1	ZINC000095907570	562790307	/nfs/dbraw/zinc/79/03/07/562790307.db2.gz	DEHVLIJGAJYIBN-XJABCFGWSA-N	0	0	507.012	2.884	1	0		KFAFRN
CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]56CO[C@@]7(C)OC[C@@H](OC5=C4C=C[C@@H]3C2)[C@@H]67)[C@@H]1O	ZINC000095909490	291764011	/nfs/dbraw/zinc/76/40/11/291764011.db2.gz	UGRRTZMEMZLWTQ-FTGSMSEBSA-N	0	0	504.620	2.672	1	0	biogenic,in-vitro	KFAFRN
COc1ccc(/C=C\C(=O)O[C@H]2[C@@H](OC(C)=O)[C@H](O)O[C@@H](C)[C@@H]2OC(=O)/C=C\c2ccc(OC)cc2)cc1	ZINC000095909896	291765674	/nfs/dbraw/zinc/76/56/74/291765674.db2.gz	ODLWVJASYLYINB-QKYYURIVSA-N	0	0	526.538	2.923	1	0	biogenic,in-vitro	KFAFRN
COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C	ZINC000095909952	560059317	/nfs/dbraw/zinc/05/93/17/560059317.db2.gz	LGYIHMCGHGMMHL-IMZNVZOKSA-N	0	0	520.575	2.691	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)[C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2(O)CO[C@@H]2C[C@@H]1OC(C)=O	ZINC000095910315	291754392	/nfs/dbraw/zinc/75/43/92/291754392.db2.gz	FOSCWOYKONUUII-SZBOGCPYSA-N	0	0	672.724	2.586	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)c2ccco2)[C@@H](OC(=O)c2ccccc2)[C@]13COC(=O)C(C)C	ZINC000095910456	291754398	/nfs/dbraw/zinc/75/43/98/291754398.db2.gz	YQPDCBWWZAUMHW-OMIMTSDJSA-N	0	0	686.707	2.773	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@]13COC(=O)CC(C)C	ZINC000095910463	565177501	/nfs/dbraw/zinc/17/75/01/565177501.db2.gz	LRFCSDYUPSIBOI-CXFQNELISA-N	0	0	676.756	2.912	1	0	biogenic,in-vitro	KFAFRN
CCCCOC(=O)CCc1cc(OC)c(O)c(-c2cc(CCC(=O)OCCCC)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000095910501	565177515	/nfs/dbraw/zinc/17/75/15/565177515.db2.gz	VMLJWIKVMRPCIF-GVQAODHLSA-N	0	0	664.745	2.807	1	0	biogenic,in-vitro	KFAFRN
CC[C@](C)(O)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)c(O)c3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@@H]2O	ZINC000095910597	291759889	/nfs/dbraw/zinc/75/98/89/291759889.db2.gz	UBINUWSREIMICU-KAOPZSIGSA-N	0	0	662.736	2.894	1	0	biogenic,in-vitro	KFAFRN
CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)[C@@H]1O	ZINC000095911655	553714978	/nfs/dbraw/zinc/71/49/78/553714978.db2.gz	KBZJWPGSJWUHPT-FJUGQGNPSA-N	0	0	520.619	2.588	1	0	biogenic,in-vitro	KFAFRN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000095912242	562790328	/nfs/dbraw/zinc/79/03/28/562790328.db2.gz	DQGDIBFTBNPWKO-YPOSEEEYSA-N	0	0	594.786	2.589	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)C(C)C)[C@@H](OC(=O)c3ccoc3)[C@]3(COC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C	ZINC000095912255	565181133	/nfs/dbraw/zinc/18/11/33/565181133.db2.gz	QRUFLPVXOHVGFB-INGPXPHZSA-N	0	0	694.727	2.686	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@]12[C@@H]3[C@H](C=C[C@H]1OC(C)=O)C(C)(C)O[C@]3(C)C(=O)[C@@]1(O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@H]1[C@H]2OC(C)=O	ZINC000095913809	565184134	/nfs/dbraw/zinc/18/41/34/565184134.db2.gz	WFNDYVPJVITXJR-RSAJDGQJSA-N	0	0	612.672	2.964	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@]12[C@@H]3[C@H](C=C[C@H]1OC(C)=O)C(C)(C)O[C@]3(C)C(=O)[C@@]1(O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@H]2OC(C)=O	ZINC000095913810	565184148	/nfs/dbraw/zinc/18/41/48/565184148.db2.gz	WFNDYVPJVITXJR-SZZZKRERSA-N	0	0	612.672	2.964	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)c3cccnc3)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O	ZINC000095913881	565184574	/nfs/dbraw/zinc/18/45/74/565184574.db2.gz	YDMQFVLNJYKGRK-DPWNUWMNSA-N	0	0	653.681	2.968	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(=O)c3cccnc3)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccoc1)[C@H]3OC(C)=O	ZINC000095913882	565184624	/nfs/dbraw/zinc/18/46/24/565184624.db2.gz	XGUMDOGBYBYOIT-SKFBFMKNSA-N	0	0	643.642	2.561	1	0	biogenic,in-vitro	KFAFRN
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	565187950	/nfs/dbraw/zinc/18/79/50/565187950.db2.gz	FOWHMJBXCXWUGU-VKBVHMTRSA-N	0	0	606.580	2.626	1	0	biogenic,in-vitro	KFAFRN
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	565187976	/nfs/dbraw/zinc/18/79/76/565187976.db2.gz	KVSAMGNYVGLEFR-YPPXQPJLSA-N	0	0	606.580	2.626	1	0	biogenic,in-vitro	KFAFRN
COc1ccc([C@H]2O[C@@H](COc3ccc(OC)c(OC)c3)[C@@H](O)[C@H](O)[C@H]2O)c(COC(=O)c2ccccc2)c1	ZINC000095918843	560054884	/nfs/dbraw/zinc/05/48/84/560054884.db2.gz	ZGWZKPHPKZCRQO-UZINISAASA-N	0	0	540.565	2.671	1	0	biogenic,in-vitro	KFAFRN
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(C)=O	ZINC000095918960	291754144	/nfs/dbraw/zinc/75/41/44/291754144.db2.gz	GZWOMXLDPAAKLO-IANSKHESSA-N	0	0	534.602	2.746	1	0	biogenic,in-vitro	KFAFRN
COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1	ZINC000095918961	291766097	/nfs/dbraw/zinc/76/60/97/291766097.db2.gz	WCNDTJXYXMMJDP-CDCCBSOTSA-N	0	0	516.499	2.519	1	0	biogenic,in-vitro	KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1cccnc1	ZINC000095919080	565189140	/nfs/dbraw/zinc/18/91/40/565189140.db2.gz	LISHAQDJMDPPOF-RWEUJJGLSA-N	0	0	653.681	2.968	1	0	biogenic,in-vitro	KFAFRN
O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1cccnc1Cl)C[C@H]2O	ZINC000096167522	562790474	/nfs/dbraw/zinc/79/04/74/562790474.db2.gz	GVXGNEDHEKXWSX-VQIMIIECSA-N	0	0	505.902	2.812	1	0		KFAFRN
O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1cccnc1Cl)C[C@H]2O	ZINC000096167523	562790478	/nfs/dbraw/zinc/79/04/78/562790478.db2.gz	GVXGNEDHEKXWSX-APWZRJJASA-N	0	0	505.902	2.812	1	0		KFAFRN
C[C@H](O)Cn1cnc2c(c1=O)c(Nc1ccc(I)cc1F)c(Cl)c(=O)n2C	ZINC000096167568	562790497	/nfs/dbraw/zinc/79/04/97/562790497.db2.gz	DUGLYBHWPDWDBS-QMMMGPOBSA-N	0	0	504.687	2.617	1	0		KFAFRN
C[C@@H](O)Cn1cnc2c(c1=O)c(Nc1ccc(I)cc1F)c(Cl)c(=O)n2C	ZINC000096167569	562790532	/nfs/dbraw/zinc/79/05/32/562790532.db2.gz	DUGLYBHWPDWDBS-MRVPVSSYSA-N	0	0	504.687	2.617	1	0		KFAFRN
Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12	ZINC000096167854	562790616	/nfs/dbraw/zinc/79/06/16/562790616.db2.gz	SGVAIMLQDSZAQH-UHFFFAOYSA-N	0	0	528.610	2.683	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@@H](C)[C@H]2OCC(=O)[C@H]21	ZINC000096170020	562790986	/nfs/dbraw/zinc/79/09/86/562790986.db2.gz	ISXAASLMUXJHCD-KWACHACRSA-N	0	0	539.702	2.521	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@H]21	ZINC000096170021	562791007	/nfs/dbraw/zinc/79/10/07/562791007.db2.gz	ISXAASLMUXJHCD-OVNWYXPRSA-N	0	0	539.702	2.521	1	0		KFAFRN
CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@H](C(F)F)[C@H]2OCC(=O)[C@H]21	ZINC000096170022	562791026	/nfs/dbraw/zinc/79/10/26/562791026.db2.gz	IUIVNOPAVOHFLU-UWXQAFAOSA-N	0	0	575.682	2.766	1	0		KFAFRN
O=C(NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O)c1ccc(N2CCS(=O)(=O)CC2)nc1	ZINC000096170199	562791072	/nfs/dbraw/zinc/79/10/72/562791072.db2.gz	AFHKLEVAKPQUTG-UHFFFAOYSA-N	0	0	524.549	2.829	1	0		KFAFRN
COC(=O)c1c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1	ZINC000096170223	562791088	/nfs/dbraw/zinc/79/10/88/562791088.db2.gz	JWSDUEROZCGLJD-UHFFFAOYSA-N	0	0	532.018	2.719	1	0		KFAFRN
COC(=O)c1c(CNC(=O)c2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1	ZINC000096170246	562791110	/nfs/dbraw/zinc/79/11/10/562791110.db2.gz	HRBSYTKTEPLYNB-UHFFFAOYSA-N	0	0	560.510	2.769	1	0		KFAFRN
O=C(CN1C[C@@H](Cc2ccccc2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)CC1=O)NCc1ccccc1	ZINC000096170416	562791104	/nfs/dbraw/zinc/79/11/04/562791104.db2.gz	VDMJXSNEDOCITD-JOCHJYFZSA-N	0	0	540.041	2.875	1	0		KFAFRN
O=C(CN1C[C@H](Cc2ccccc2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)CC1=O)NCc1ccccc1	ZINC000096170417	562791112	/nfs/dbraw/zinc/79/11/12/562791112.db2.gz	VDMJXSNEDOCITD-QFIPXVFZSA-N	0	0	540.041	2.875	1	0		KFAFRN
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C1=O	ZINC000096173302	562791362	/nfs/dbraw/zinc/79/13/62/562791362.db2.gz	IGOJPKHASIKKDA-GYHUNEDQSA-N	0	0	559.040	2.537	1	0		KFAFRN
CNC(=O)c1c2cc(C3CC3)c(N(CCCNS(C)(=O)=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1	ZINC000096174173	562791747	/nfs/dbraw/zinc/79/17/47/562791747.db2.gz	MQYZNEPTELORCS-UHFFFAOYSA-N	0	0	598.545	2.730	1	0		KFAFRN
CS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1	ZINC000096175456	562791858	/nfs/dbraw/zinc/79/18/58/562791858.db2.gz	CKBVFSSRMVNTDL-LJQANCHMSA-N	0	0	518.603	2.659	1	0		KFAFRN
CS(=O)(=O)[C@H]1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1	ZINC000096175457	562791865	/nfs/dbraw/zinc/79/18/65/562791865.db2.gz	CKBVFSSRMVNTDL-IBGZPJMESA-N	0	0	518.603	2.659	1	0		KFAFRN
Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[NH+](CCC(=O)[O-])CC6)nc5)n4)CCC3)cn2)cn1	ZINC000096175458	562791877	/nfs/dbraw/zinc/79/18/77/562791877.db2.gz	ZAZPAKSJQXFFNK-UHFFFAOYSA-N	0	0	527.589	2.633	1	0		KFAFRN
CS(=O)(=O)CCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F	ZINC000096175810	562792045	/nfs/dbraw/zinc/79/20/45/562792045.db2.gz	QBKQZWXHOJAMRP-UHFFFAOYSA-N	0	0	588.342	2.667	1	0		KFAFRN
CC(C)(O)CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F	ZINC000096175815	562792036	/nfs/dbraw/zinc/79/20/36/562792036.db2.gz	XRPZIRVAHVILRN-UHFFFAOYSA-N	0	0	569.318	2.898	1	0		KFAFRN
C[S@@](=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F	ZINC000096175816	562792058	/nfs/dbraw/zinc/79/20/58/562792058.db2.gz	KRLVJGDCIOMJDA-YTTGMZPUSA-N	0	0	587.358	2.506	1	0		KFAFRN
C[S@](=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F	ZINC000096175817	562792039	/nfs/dbraw/zinc/79/20/39/562792039.db2.gz	KRLVJGDCIOMJDA-JGCGQSQUSA-N	0	0	587.358	2.506	1	0		KFAFRN
CON(C=O)Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F	ZINC000096175818	562792030	/nfs/dbraw/zinc/79/20/30/562792030.db2.gz	XZFVHZABQFLECU-UHFFFAOYSA-N	0	0	539.248	2.626	1	0		KFAFRN
COCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OC	ZINC000096175822	562792033	/nfs/dbraw/zinc/79/20/33/562792033.db2.gz	LCDDCRXZLRTYOP-UHFFFAOYSA-N	0	0	583.301	2.642	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@]1(C2)NC(c2ccccn2)=NC1=O	ZINC000096175855	562792093	/nfs/dbraw/zinc/79/20/93/562792093.db2.gz	NYEMFPGZLJJDBQ-PMERELPUSA-N	0	0	529.560	2.635	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccccn2)=NC1=O	ZINC000096175856	562792069	/nfs/dbraw/zinc/79/20/69/562792069.db2.gz	NYEMFPGZLJJDBQ-SSEXGKCCSA-N	0	0	529.560	2.635	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@]1(C2)NC(c2cccnc2)=NC1=O	ZINC000096175865	562792092	/nfs/dbraw/zinc/79/20/92/562792092.db2.gz	NUCMLSBPZAAMPG-PMERELPUSA-N	0	0	529.560	2.635	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@]1(C2)NC(c2ccncc2)=NC1=O	ZINC000096175866	562792065	/nfs/dbraw/zinc/79/20/65/562792065.db2.gz	PQQHVSSSKWJTCD-PMERELPUSA-N	0	0	529.560	2.635	1	0		KFAFRN
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccncc2)=NC1=O	ZINC000096175867	562792076	/nfs/dbraw/zinc/79/20/76/562792076.db2.gz	PQQHVSSSKWJTCD-SSEXGKCCSA-N	0	0	529.560	2.635	1	0		KFAFRN
Cn1ccnc1CN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1	ZINC000096203314	562792728	/nfs/dbraw/zinc/79/27/28/562792728.db2.gz	XIZLHEFEULEPHE-XGBAOLAVSA-N	0	0	538.608	2.590	1	0		KFAFRN
CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCN2CCOCC2)cc1	ZINC000096270214	562793159	/nfs/dbraw/zinc/79/31/59/562793159.db2.gz	XRPSHNJTZWAKDL-UHFFFAOYSA-N	0	0	523.659	2.876	1	0		KFAFRN
Cc1cc(NC(=O)NCc2ccc(-c3cc(Nc4cc(N5CCN(CCO)CC5)nc(C)n4)n[nH]3)cc2)no1	ZINC000096270645	562793301	/nfs/dbraw/zinc/79/33/01/562793301.db2.gz	JFOZUFLYZRDCRJ-UHFFFAOYSA-N	0	0	532.609	2.651	1	0		KFAFRN
Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C5CN(C(=O)[C@H](C)O)C5)c4)cc2OCC3)n(C(C)C)n1	ZINC000096270818	562793380	/nfs/dbraw/zinc/79/33/80/562793380.db2.gz	SGTJRXWMOGYPAU-INIZCTEOSA-N	0	0	502.579	2.718	1	0		KFAFRN
CN1C(=N)N(C)[C@]2(c3[nH]c4ccccc4c3C[C@@]3(C(=O)N(C)C(=N)N3C)[C@@H]2c2c[nH]c3ccccc23)C1=O	ZINC000096272039	562793961	/nfs/dbraw/zinc/79/39/61/562793961.db2.gz	AMPTWLHXXYAHSB-YNOBPPCASA-N	0	0	508.586	2.600	1	0		KFAFRN
CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1	ZINC000096272198	562794006	/nfs/dbraw/zinc/79/40/06/562794006.db2.gz	YQAYHKVZTHFONF-BWKNWUBXSA-N	0	0	522.067	2.888	1	0		KFAFRN
CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1	ZINC000096272222	562793998	/nfs/dbraw/zinc/79/39/98/562793998.db2.gz	VOAOTBHWMPXSAD-BWKNWUBXSA-N	0	0	522.067	2.888	1	0		KFAFRN
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccc(C(F)(F)F)o4)cc3)CC2)NC(=O)NC1=O	ZINC000096273614	562794641	/nfs/dbraw/zinc/79/46/41/562794641.db2.gz	PUGYNRMGOHDNQM-OAQYLSRUSA-N	0	0	531.509	2.649	1	0		KFAFRN
CCCc1c(CCC)[n+](C)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(=O)[O-])n1C	ZINC000096282454	562794656	/nfs/dbraw/zinc/79/46/56/562794656.db2.gz	IXCVTRHNOXRPMP-NRFANRHFSA-O	0	0	547.698	2.692	1	0		KFAFRN
Cc1c(C)[n+](Cc2ccccc2)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(=O)[O-])n1C	ZINC000096282455	562794682	/nfs/dbraw/zinc/79/46/82/562794682.db2.gz	HAASWINEKYFHBW-VWLOTQADSA-O	0	0	567.688	2.915	1	0		KFAFRN
Cc1c(C)[n+](-c2ccccc2)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(=O)[O-])n1C	ZINC000096282456	562794699	/nfs/dbraw/zinc/79/46/99/562794699.db2.gz	ONMNPJNHTHLGGA-DEOSSOPVSA-O	0	0	553.661	2.856	1	0		KFAFRN
CCc1nc2ccccc2n1-c1nc2c(nc(C(=O)N3CCC(C(C)(C)O)CC3)n2C)c(N2CCOCC2)n1	ZINC000096282508	562794746	/nfs/dbraw/zinc/79/47/46/562794746.db2.gz	KVHVEZBOOQCIIR-UHFFFAOYSA-N	0	0	532.649	2.724	1	0		KFAFRN
CCc1nc2ccccc2n1-c1nc2c(C)c(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)sc2c(N2CCOCC2)n1	ZINC000096282509	562794739	/nfs/dbraw/zinc/79/47/39/562794739.db2.gz	QTICLDNEBJPUTR-UHFFFAOYSA-N	0	0	576.727	2.759	1	0		KFAFRN
CCc1nc2ccccc2n1-c1nc2c(nc(CC3CN(C(=O)C(C)C)C3)n2C)c(N2CCOCC2)n1	ZINC000096282511	562794740	/nfs/dbraw/zinc/79/47/40/562794740.db2.gz	NAKXCFBVYFGHFQ-UHFFFAOYSA-N	0	0	502.623	2.758	1	0		KFAFRN
O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)N(Cc1ccccn1)Cc1nc2c(c(=O)[nH]1)COCC2	ZINC000096283568	562794909	/nfs/dbraw/zinc/79/49/09/562794909.db2.gz	NTQHXNALUQPZJR-UHFFFAOYSA-N	0	0	519.577	2.500	1	0		KFAFRN
CC1(C)SCN(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000096285307	562795447	/nfs/dbraw/zinc/79/54/47/562795447.db2.gz	YRCXUGKNFBNKLY-FKKILGMSSA-N	0	0	603.741	2.608	1	0		KFAFRN
CC1(C)SCN(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000096285308	562795463	/nfs/dbraw/zinc/79/54/63/562795463.db2.gz	YRCXUGKNFBNKLY-DOWNBTJOSA-N	0	0	603.741	2.608	1	0		KFAFRN
CS(=O)(=O)N1CCO[C@H](CNc2nc(Cc3ccccc3)cc(Nc3cc(-c4ccco4)[nH]n3)n2)C1	ZINC000096285827	562795911	/nfs/dbraw/zinc/79/59/11/562795911.db2.gz	AARZYPZTMIRNPN-LJQANCHMSA-N	0	0	509.592	2.866	1	0		KFAFRN
CS(=O)(=O)N1CCO[C@@H](CNc2nc(Cc3ccccc3)cc(Nc3cc(-c4ccco4)[nH]n3)n2)C1	ZINC000096285828	562795904	/nfs/dbraw/zinc/79/59/04/562795904.db2.gz	AARZYPZTMIRNPN-IBGZPJMESA-N	0	0	509.592	2.866	1	0		KFAFRN
CCC[C@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NC1CC1	ZINC000096286531	562796176	/nfs/dbraw/zinc/79/61/76/562796176.db2.gz	BHCRGMRNLAEFPS-AZLWMVJWSA-N	0	0	693.890	2.980	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NC1CC1	ZINC000096286532	562796202	/nfs/dbraw/zinc/79/62/02/562796202.db2.gz	BHCRGMRNLAEFPS-ZLUZBQSSSA-N	0	0	693.890	2.980	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NC1CC1	ZINC000096286533	562796180	/nfs/dbraw/zinc/79/61/80/562796180.db2.gz	BHCRGMRNLAEFPS-OCUMJRHESA-N	0	0	693.890	2.980	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NC1CC1	ZINC000096286534	562796195	/nfs/dbraw/zinc/79/61/95/562796195.db2.gz	BHCRGMRNLAEFPS-XFYLSAKBSA-N	0	0	693.890	2.980	1	0		KFAFRN
CS(=O)(=O)N1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21	ZINC000096309528	562796448	/nfs/dbraw/zinc/79/64/48/562796448.db2.gz	CSKOPNGIGVGOQH-VSGBNLITSA-N	0	0	622.191	2.753	1	0		KFAFRN
CS(=O)(=O)N1CCc2cccc(N3CCN(C(=O)[C@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c21	ZINC000096309529	562796445	/nfs/dbraw/zinc/79/64/45/562796445.db2.gz	CSKOPNGIGVGOQH-IZLXSDGUSA-N	0	0	622.191	2.753	1	0		KFAFRN
CCCCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21	ZINC000096888338	562796659	/nfs/dbraw/zinc/79/66/59/562796659.db2.gz	IXHRCDRFYWGDED-CYEHRHGNSA-N	0	0	590.570	2.513	1	0		KFAFRN
CCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21	ZINC000096888339	562796669	/nfs/dbraw/zinc/79/66/69/562796669.db2.gz	IXHRCDRFYWGDED-WONIVZQCSA-N	0	0	590.570	2.513	1	0		KFAFRN
C/C(=C\[C@H](O)C[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)CO	ZINC000096888353	562796675	/nfs/dbraw/zinc/79/66/75/562796675.db2.gz	OTNVTCVBBIOOBO-OGRZDRPTSA-N	0	0	518.691	2.722	1	0		KFAFRN
C/C(=C\[C@@H](O)C[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)CO	ZINC000096888354	562796650	/nfs/dbraw/zinc/79/66/50/562796650.db2.gz	OTNVTCVBBIOOBO-LTLNBIDDSA-N	0	0	518.691	2.722	1	0		KFAFRN
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CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C	ZINC000096903077	291754395	/nfs/dbraw/zinc/75/43/95/291754395.db2.gz	ZWCCPUWSKJGJNH-GIBMAKMFSA-N	0	0	642.739	2.976	1	0		KFAFRN
CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C	ZINC000096903078	291754409	/nfs/dbraw/zinc/75/44/09/291754409.db2.gz	ZWCCPUWSKJGJNH-DCXHWYJOSA-N	0	0	642.739	2.976	1	0		KFAFRN
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	ZINC000096903122	562797795	/nfs/dbraw/zinc/79/77/95/562797795.db2.gz	JZVCMWXVBJUPKJ-OZTAUIRUSA-N	0	0	576.727	2.694	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)N1CCOCC1)C(=O)C(F)(F)F	ZINC000096903142	562797843	/nfs/dbraw/zinc/79/78/43/562797843.db2.gz	FJHQYYMVIUHRDC-FIXSFTCYSA-N	0	0	614.662	2.724	1	0		KFAFRN
COC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C	ZINC000096903165	562797828	/nfs/dbraw/zinc/79/78/28/562797828.db2.gz	KVQSQHSOKVXGNP-GBMYMWMNSA-N	0	0	807.846	2.662	1	0		KFAFRN
CCCCc1ccc(-c2cc(-c3cn([C@H]4C[C@H](OC(C)=O)[C@@H](COC(C)=O)O4)c(=O)[nH]c3=O)on2)cc1	ZINC000096903754	562798001	/nfs/dbraw/zinc/79/80/01/562798001.db2.gz	KJWDSXSDUFEPDF-RBZQAINGSA-N	0	0	511.531	2.984	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O	ZINC000096903953	562798101	/nfs/dbraw/zinc/79/81/01/562798101.db2.gz	CXJXJVPRDGROSV-RHFBVIABSA-N	0	0	657.768	2.839	1	0		KFAFRN
CCOC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O	ZINC000096906578	562798801	/nfs/dbraw/zinc/79/88/01/562798801.db2.gz	NSQSBDZVBDVMKE-KRPMOIONSA-N	0	0	504.532	2.933	1	0		KFAFRN
COC(=O)CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O	ZINC000096906580	562798784	/nfs/dbraw/zinc/79/87/84/562798784.db2.gz	FMHKFGZUARMVGD-KRPMOIONSA-N	0	0	504.532	2.933	1	0		KFAFRN
COC(=O)C=CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O	ZINC000096906586	562798783	/nfs/dbraw/zinc/79/87/83/562798783.db2.gz	WBQBXUZFNGSCON-BJNOWMNCSA-N	0	0	502.516	2.709	1	0		KFAFRN
O=c1[nH]c(=O)c2c([nH]1)-c1cc3c(cc1N[C@H]2c1ccccc1)-c1[nH]c(=O)[nH]c(=O)c1[C@H](c1ccccc1)N3	ZINC000096906879	562798933	/nfs/dbraw/zinc/79/89/33/562798933.db2.gz	HTAFQDHTGGQIJH-VXKWHMMOSA-N	0	0	504.506	2.804	1	0		KFAFRN
O=c1[nH]c(=O)c2c([nH]1)-c1cc3c(cc1N[C@@H]2c1ccccc1)-c1[nH]c(=O)[nH]c(=O)c1[C@@H](c1ccccc1)N3	ZINC000096906880	562798926	/nfs/dbraw/zinc/79/89/26/562798926.db2.gz	HTAFQDHTGGQIJH-FGZHOGPDSA-N	0	0	504.506	2.804	1	0		KFAFRN
CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)c3cn4ccccc4n3)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C	ZINC000096908010	562799299	/nfs/dbraw/zinc/79/92/99/562799299.db2.gz	FWOPJGIYPJUPRO-UHFFFAOYSA-N	0	0	676.708	2.818	1	0		KFAFRN
CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)c3cccnc3)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C	ZINC000096908011	562799301	/nfs/dbraw/zinc/79/93/01/562799301.db2.gz	HZQRBUHHJQZOOF-UHFFFAOYSA-N	0	0	637.671	2.566	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C(F)(F)F)C(=O)c1nc2ccccc2o1	ZINC000096908164	562799319	/nfs/dbraw/zinc/79/93/19/562799319.db2.gz	YNQYACPZVRJMTB-RYRKJORJSA-N	0	0	537.516	2.911	1	0		KFAFRN
CC[C@@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1C(=O)C(F)(F)F)C(=O)c1nc2ccccc2o1	ZINC000096908165	562799329	/nfs/dbraw/zinc/79/93/29/562799329.db2.gz	YNQYACPZVRJMTB-NUJGCVRESA-N	0	0	537.516	2.911	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2)CN1C(C)=O)C(=O)c1nc2ccccc2o1	ZINC000096908180	562799342	/nfs/dbraw/zinc/79/93/42/562799342.db2.gz	YDUOHGBBLAUUGY-HBFSDRIKSA-N	0	0	501.536	2.508	1	0		KFAFRN
CC[C@@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2)CN1C(C)=O)C(=O)c1nc2ccccc2o1	ZINC000096908181	562799339	/nfs/dbraw/zinc/79/93/39/562799339.db2.gz	YDUOHGBBLAUUGY-GGPKGHCWSA-N	0	0	501.536	2.508	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(-n3cccn3)cc2)CN1C(C)=O)C(=O)c1nc2ccccc2o1	ZINC000096908182	562799354	/nfs/dbraw/zinc/79/93/54/562799354.db2.gz	TXLOVXMRCXNWCJ-GIWBLDEGSA-N	0	0	549.609	2.554	1	0		KFAFRN
CC[C@@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(-n3cccn3)cc2)CN1C(C)=O)C(=O)c1nc2ccccc2o1	ZINC000096908183	562799363	/nfs/dbraw/zinc/79/93/63/562799363.db2.gz	TXLOVXMRCXNWCJ-XPNTWCBSSA-N	0	0	549.609	2.554	1	0		KFAFRN
C[C@]1(c2ccc(Nc3nc(N4CCC(O)CC4)nc(N4CCC(O)CC4)n3)cc2)Nc2ccccc2C(=O)N1	ZINC000096909928	562799804	/nfs/dbraw/zinc/79/98/04/562799804.db2.gz	HWWYEADCQLVTHO-NDEPHWFRSA-N	0	0	530.633	2.566	1	0		KFAFRN
C[C@@]1(c2ccc(Nc3nc(N4CCC(O)CC4)nc(N4CCC(O)CC4)n3)cc2)Nc2ccccc2C(=O)N1	ZINC000096909929	562799820	/nfs/dbraw/zinc/79/98/20/562799820.db2.gz	HWWYEADCQLVTHO-MUUNZHRXSA-N	0	0	530.633	2.566	1	0		KFAFRN
C[C@]1(c2ccc(Nc3nc(NCCCN4CCOCC4)nc(NCCCN4CCOCC4)n3)cc2)Nc2ccccc2C(=O)N1	ZINC000096909932	562799801	/nfs/dbraw/zinc/79/98/01/562799801.db2.gz	DXRSWXZSRRDGPG-YTTGMZPUSA-N	0	0	616.771	2.912	1	0		KFAFRN
C[C@@]1(c2ccc(Nc3nc(NCCCN4CCOCC4)nc(NCCCN4CCOCC4)n3)cc2)Nc2ccccc2C(=O)N1	ZINC000096909933	562799796	/nfs/dbraw/zinc/79/97/96/562799796.db2.gz	DXRSWXZSRRDGPG-JGCGQSQUSA-N	0	0	616.771	2.912	1	0		KFAFRN
CCOC(=O)CCc1ccccc1O[P@@](=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1OC[C@H](n2cnc3c2ncnc3N)O1	ZINC000096911249	562800173	/nfs/dbraw/zinc/80/01/73/562800173.db2.gz	JSAXKUVUWYZNRN-BVAYZVTOSA-N	0	0	592.546	2.521	1	0		KFAFRN
CCOC(=O)CCc1ccccc1O[P@](=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1OC[C@H](n2cnc3c2ncnc3N)O1	ZINC000096911250	562800157	/nfs/dbraw/zinc/80/01/57/562800157.db2.gz	JSAXKUVUWYZNRN-MXWYGOMYSA-N	0	0	592.546	2.521	1	0		KFAFRN
CCOC(=O)CCc1ccccc1O[P@@](=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1OC[C@H](n2cnc3c2ncnc3OC)O1	ZINC000096911252	562800161	/nfs/dbraw/zinc/80/01/61/562800161.db2.gz	GKXLEOPUGXZDHC-XJISRPQYSA-N	0	0	607.557	2.947	1	0		KFAFRN
CCOC(=O)CCc1ccccc1O[P@](=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1OC[C@H](n2cnc3c2ncnc3OC)O1	ZINC000096911253	562800146	/nfs/dbraw/zinc/80/01/46/562800146.db2.gz	GKXLEOPUGXZDHC-VTOFAKGESA-N	0	0	607.557	2.947	1	0		KFAFRN
COC(=O)c1cc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)cn1C	ZINC000096911513	562800176	/nfs/dbraw/zinc/80/01/76/562800176.db2.gz	OMDDNBMOZANHFC-FQEVSTJZSA-N	0	0	714.740	2.910	1	0		KFAFRN
COC(=O)c1nccn(C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)c1=O	ZINC000096913252	562800244	/nfs/dbraw/zinc/80/02/44/562800244.db2.gz	HDVRCFOMBQQJSY-CMDGGOBGSA-N	0	0	516.484	2.906	1	0		KFAFRN
CC(=S)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCCc1cccnc1	ZINC000096913417	562800241	/nfs/dbraw/zinc/80/02/41/562800241.db2.gz	QMJFHQQYBOQVFP-SFTDATJTSA-N	0	0	505.685	2.732	1	0		KFAFRN
CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)Nc1ccccc1	ZINC000096913430	562800243	/nfs/dbraw/zinc/80/02/43/562800243.db2.gz	MKOQZDQHXKCLHN-SGNDLWITSA-N	0	0	526.659	2.989	1	0		KFAFRN
COc1ccc(CCn2c(COc3ccccc3)nc3cc(C(=O)NC[C@H](O)CO)ccc32)cc1OC	ZINC000096913798	562800391	/nfs/dbraw/zinc/80/03/91/562800391.db2.gz	PTGOZGTWELJEFK-NRFANRHFSA-N	0	0	505.571	2.958	1	0		KFAFRN
COc1ccc(CCn2c(COc3ccccc3)nc3cc(C(=O)NC[C@@H](O)CO)ccc32)cc1OC	ZINC000096913799	562800394	/nfs/dbraw/zinc/80/03/94/562800394.db2.gz	PTGOZGTWELJEFK-OAQYLSRUSA-N	0	0	505.571	2.958	1	0		KFAFRN
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCCN(c2ncccc2C(=O)N2CCC[C@@H]2C(N)=O)CC1	ZINC000096913855	562800459	/nfs/dbraw/zinc/80/04/59/562800459.db2.gz	QKZLBSPVDODSPQ-LUGTWXOSSA-N	0	0	513.683	2.688	1	0		KFAFRN
CCOC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)cn1C	ZINC000096914584	562800806	/nfs/dbraw/zinc/80/08/06/562800806.db2.gz	MXGLVNODWPTOIG-IBGZPJMESA-N	0	0	729.755	2.695	1	0		KFAFRN
Cc1nc2ccccc2n1-c1nc2c(nc(CN3CCC(C(C)(C)O)CC3)n2C)c(N2CCOCC2)n1	ZINC000096915716	562801059	/nfs/dbraw/zinc/80/10/59/562801059.db2.gz	BQDATSKHXLTGAK-UHFFFAOYSA-N	0	0	504.639	2.830	1	0		KFAFRN
CNc1nc2ccccc2n1-c1nc2c(nc(CN3CCC(C(C)(C)O)CC3)n2C)c(N2CCOCC2)n1	ZINC000096915717	562801093	/nfs/dbraw/zinc/80/10/93/562801093.db2.gz	KWGVPWHASHLSHP-UHFFFAOYSA-N	0	0	519.654	2.563	1	0		KFAFRN
O=C1c2ccccc2C(=O)N1CCCn1cc(CCCCc2cn(CCCN3C(=O)c4ccccc4C3=O)nn2)nn1	ZINC000096917655	562801327	/nfs/dbraw/zinc/80/13/27/562801327.db2.gz	MLFKCZSWQWPESW-UHFFFAOYSA-N	0	0	566.622	2.808	1	0		KFAFRN
CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCc1ccccc1	ZINC000096921502	562801467	/nfs/dbraw/zinc/80/14/67/562801467.db2.gz	FXBHMCOLLBDENX-DSITVLBTSA-N	0	0	540.686	2.667	1	0		KFAFRN
CC(=S)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccccc1	ZINC000096921508	562801454	/nfs/dbraw/zinc/80/14/54/562801454.db2.gz	WTVGZVQFSDOHMR-SFTDATJTSA-N	0	0	518.680	2.977	1	0		KFAFRN
O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)NCc1cccnc1	ZINC000096921837	562801533	/nfs/dbraw/zinc/80/15/33/562801533.db2.gz	RUKIBNRHSLVJQR-UHFFFAOYSA-N	0	0	525.716	2.670	1	0		KFAFRN
CC(C)[C@@H]1OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@H](C)OC(=O)[C@H](C(C)C)OC(=O)C(C)(C)[C@@H](O)[C@@H](Cc2ccccc2)OC1=O	ZINC000096921967	562801629	/nfs/dbraw/zinc/80/16/29/562801629.db2.gz	CLRPGFXEJVHUEC-LIGOQVDJSA-N	0	0	656.729	2.695	1	0		KFAFRN
CC(C)[C@@H]1OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@H](C)OC(=O)[C@H](C(C)C)OC(=O)C(C)(C)[C@@H](O)[C@@H](Cc2ccccc2)OC1=O	ZINC000096921968	562801637	/nfs/dbraw/zinc/80/16/37/562801637.db2.gz	SVFSHXNTOKYNKD-NMSMKCJHSA-N	0	0	684.739	2.681	1	0		KFAFRN
CC(=O)N1C[C@@H](SC2=C(C(=O)OCOC(=O)O[C@H]3CCCCc4ccccc43)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1C(=O)N(C)C	ZINC000096922011	562801598	/nfs/dbraw/zinc/80/15/98/562801598.db2.gz	OPNIXCBPTHFAEK-MOASZYHXSA-N	0	0	643.759	2.988	1	0		KFAFRN
COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4S(=O)(=O)c4ccc(N5CCOCC5)cc43)n2)cc1	ZINC000096922267	562801769	/nfs/dbraw/zinc/80/17/69/562801769.db2.gz	MJQCNBXPWTXGCF-QFIPXVFZSA-N	0	0	562.652	2.786	1	0		KFAFRN
COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4S(=O)(=O)c4ccc(N5CCOCC5)cc43)n2)cc1	ZINC000096922268	562801780	/nfs/dbraw/zinc/80/17/80/562801780.db2.gz	MJQCNBXPWTXGCF-JOCHJYFZSA-N	0	0	562.652	2.786	1	0		KFAFRN
COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCCO)c3C(=O)NC2)cc1-c1cnc(OC)nc1OC	ZINC000096922860	562801924	/nfs/dbraw/zinc/80/19/24/562801924.db2.gz	INWHTQPWBAMZQW-UHFFFAOYSA-N	0	0	508.579	2.910	1	0		KFAFRN
COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(I)cc4)CC3)o2)cc1	ZINC000096923044	562801990	/nfs/dbraw/zinc/80/19/90/562801990.db2.gz	JNKGGRORXHEWTF-UHFFFAOYSA-N	0	0	526.356	2.861	1	0		KFAFRN
CC[C@H](C)[C@H]1OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@H](C)OC(=O)C(C)(C)O[C@@H](CC(C)C)OC1=O	ZINC000096923796	562802190	/nfs/dbraw/zinc/80/21/90/562802190.db2.gz	OVSIHHUYAOQBIS-RODAYXDMSA-N	0	0	522.595	2.687	1	0		KFAFRN
CC[C@H](C)[C@@H]1OC(=O)[C@@H](NC(=O)c2cccc(N)c2O)[C@H](C)OC(=O)C(C)(C)O[C@@H](CC(C)C)OC1=O	ZINC000096923798	562802183	/nfs/dbraw/zinc/80/21/83/562802183.db2.gz	OVSIHHUYAOQBIS-QNVNORHNSA-N	0	0	522.595	2.687	1	0		KFAFRN
O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@@H](C2)OC[C@@H]1Cc1c[nH]c2ccccc12	ZINC000096923816	562802169	/nfs/dbraw/zinc/80/21/69/562802169.db2.gz	UEJCJBQWWNIYFP-HTAPYJJXSA-N	0	0	520.492	2.667	1	0		KFAFRN
COc1c(C(=O)Nc2ccc(NS(=O)(=O)CCN3CCOCC3)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C	ZINC000096926940	562802439	/nfs/dbraw/zinc/80/24/39/562802439.db2.gz	AYUNOQZSRVBPQY-UHFFFAOYSA-N	0	0	587.699	2.765	1	0		KFAFRN
COC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]12C	ZINC000096927212	562802596	/nfs/dbraw/zinc/80/25/96/562802596.db2.gz	DSPXIWSEDSBDRZ-FPLIZSRMSA-N	0	0	508.608	2.948	1	0		KFAFRN
COc1cc(Cn2cc(CSC(=S)N3CCN(C(=O)NC(C)C)CC3)nn2)cc(OC)c1OC	ZINC000096927389	562802642	/nfs/dbraw/zinc/80/26/42/562802642.db2.gz	RQJHXVFWSNVUBS-UHFFFAOYSA-N	0	0	508.670	2.606	1	0		KFAFRN
CCN(C)C(=O)N1CCN(C(=S)SCc2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)CC1	ZINC000096927390	562802638	/nfs/dbraw/zinc/80/26/38/562802638.db2.gz	SVTJVPIFDWVWPT-UHFFFAOYSA-N	0	0	508.670	2.560	1	0		KFAFRN
CCCNC(=O)OCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1	ZINC000096927775	562802708	/nfs/dbraw/zinc/80/27/08/562802708.db2.gz	QYLYMJWKPOFEIK-LVEBQJTPSA-N	0	0	566.567	2.890	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)N5CCOCC5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000096927781	562802685	/nfs/dbraw/zinc/80/26/85/562802685.db2.gz	AEQKAAHHOUCEDX-ULBKPHCJSA-N	0	0	608.604	2.526	1	0		KFAFRN
CCCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)[C@H](C)N)c3cc(C(=O)NC4CC4)ccc3C)c2c1C	ZINC000096928076	562802781	/nfs/dbraw/zinc/80/27/81/562802781.db2.gz	DZSQQOONXWNEOI-KRWDZBQOSA-N	0	0	551.604	2.501	1	0		KFAFRN
CCCN(C(=O)OCOC(=O)[C@H](C)N)C(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C	ZINC000096928077	562802762	/nfs/dbraw/zinc/80/27/62/562802762.db2.gz	NSARUQLVPZRREA-KRWDZBQOSA-N	0	0	551.604	2.819	1	0		KFAFRN
CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)N(C(=O)OCOC(=O)[C@H](C)N)C4CC4)ccc3C)c2c1C	ZINC000096928078	562802747	/nfs/dbraw/zinc/80/27/47/562802747.db2.gz	BNIZVFHCJUSQHI-KRWDZBQOSA-N	0	0	551.604	2.819	1	0		KFAFRN
CC(C)C[C@H](NC(=O)COc1ccc(O)cc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1	ZINC000096928569	562802931	/nfs/dbraw/zinc/80/29/31/562802931.db2.gz	YPWDLXXRXQNHGG-HSQYWUDLSA-N	0	0	552.653	2.806	1	0		KFAFRN
O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)cc1Cl	ZINC000096928951	562803009	/nfs/dbraw/zinc/80/30/09/562803009.db2.gz	AREHZQFEXLGHMT-PMHJDTQVSA-N	0	0	520.969	2.818	1	0		KFAFRN
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl	ZINC000096928954	562802996	/nfs/dbraw/zinc/80/29/96/562802996.db2.gz	GGPAREVJYDVOPR-PMHJDTQVSA-N	0	0	520.969	2.818	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2COC[C@@H]3O[C@H]4OCC[C@H]4[C@@H]32)cc1	ZINC000096929549	562803108	/nfs/dbraw/zinc/80/31/08/562803108.db2.gz	ZFMLVULNQHLHJT-PEIQIHAMSA-N	0	0	618.749	2.817	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2COC[C@H]3O[C@@H]4OCC[C@@H]4[C@H]32)cc1	ZINC000096929776	562803111	/nfs/dbraw/zinc/80/31/11/562803111.db2.gz	ZFMLVULNQHLHJT-FVKXMQIMSA-N	0	0	618.749	2.817	1	0		KFAFRN
CCOP(=O)(OCC)[C@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000096933759	562803655	/nfs/dbraw/zinc/80/36/55/562803655.db2.gz	RXFUUMRJAGWQQX-CIEVZJJWSA-N	0	0	541.582	2.923	1	0		KFAFRN
CCOP(=O)(OCC)[C@@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000096933760	562803652	/nfs/dbraw/zinc/80/36/52/562803652.db2.gz	RXFUUMRJAGWQQX-IBPRQYQWSA-N	0	0	541.582	2.923	1	0		KFAFRN
CCOP(=O)(OCC)[C@H](O)[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000096933761	562803666	/nfs/dbraw/zinc/80/36/66/562803666.db2.gz	RXFUUMRJAGWQQX-XBJMDHIQSA-N	0	0	541.582	2.923	1	0		KFAFRN
CCOP(=O)(OCC)[C@@H](O)[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000096933762	562803654	/nfs/dbraw/zinc/80/36/54/562803654.db2.gz	RXFUUMRJAGWQQX-MDAIXWLXSA-N	0	0	541.582	2.923	1	0		KFAFRN
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2nncs2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1	ZINC000096937869	562804366	/nfs/dbraw/zinc/80/43/66/562804366.db2.gz	DHWJNKYSASSZEM-JSRBVGTNSA-N	0	0	636.756	2.766	1	0		KFAFRN
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2nncs2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1	ZINC000096937872	562804359	/nfs/dbraw/zinc/80/43/59/562804359.db2.gz	DHWJNKYSASSZEM-PBXQCXKZSA-N	0	0	636.756	2.766	1	0		KFAFRN
COc1cc(O)c2c(ccn(-c3cccc(C(=O)N4CCCCC4)c3)c2=O)c1NC(=O)CCN1CCOCC1	ZINC000096938031	562804452	/nfs/dbraw/zinc/80/44/52/562804452.db2.gz	OQYTVYDTKWCIMC-UHFFFAOYSA-N	0	0	534.613	2.992	1	0		KFAFRN
CCC[C@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939033	562804620	/nfs/dbraw/zinc/80/46/20/562804620.db2.gz	BVMCXSNUSBFLJS-RNLCMEEOSA-N	0	0	727.907	2.815	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939034	562804622	/nfs/dbraw/zinc/80/46/22/562804622.db2.gz	BVMCXSNUSBFLJS-MYLRQYHESA-N	0	0	727.907	2.815	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939035	562804627	/nfs/dbraw/zinc/80/46/27/562804627.db2.gz	BVMCXSNUSBFLJS-UTBXNRKOSA-N	0	0	727.907	2.815	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939036	562804624	/nfs/dbraw/zinc/80/46/24/562804624.db2.gz	BVMCXSNUSBFLJS-NDSWNXHNSA-N	0	0	727.907	2.815	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2(Cc3ccccc3C2)[C@@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(=O)NC1CC1	ZINC000096939037	562804623	/nfs/dbraw/zinc/80/46/23/562804623.db2.gz	RQVAOVGXPZRIIW-NBDFLQAFSA-N	0	0	739.918	2.815	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2(Cc3ccccc3C2)[C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(=O)NC1CC1	ZINC000096939038	562804669	/nfs/dbraw/zinc/80/46/69/562804669.db2.gz	RQVAOVGXPZRIIW-WDTCGJHUSA-N	0	0	739.918	2.815	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2(Cc3ccccc3C2)[C@@H]1C(=O)N[C@H](CC1CC1)C(=O)C(=O)NC1CC1	ZINC000096939039	562804653	/nfs/dbraw/zinc/80/46/53/562804653.db2.gz	RQVAOVGXPZRIIW-JJNJPYBWSA-N	0	0	739.918	2.815	1	0		KFAFRN
CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2(Cc3ccccc3C2)[C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(=O)NC1CC1	ZINC000096939040	562804672	/nfs/dbraw/zinc/80/46/72/562804672.db2.gz	RQVAOVGXPZRIIW-MBUTWZNESA-N	0	0	739.918	2.815	1	0		KFAFRN
CCC[C@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NCCF	ZINC000096939057	562804644	/nfs/dbraw/zinc/80/46/44/562804644.db2.gz	RURVLKCNIFFMDR-QNEBNACWSA-N	0	0	699.869	2.787	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NCCF	ZINC000096939058	562804657	/nfs/dbraw/zinc/80/46/57/562804657.db2.gz	RURVLKCNIFFMDR-OVCWXOKGSA-N	0	0	699.869	2.787	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NCCF	ZINC000096939059	562804656	/nfs/dbraw/zinc/80/46/56/562804656.db2.gz	RURVLKCNIFFMDR-WKUBQNGMSA-N	0	0	699.869	2.787	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12CCCCC2)C(=O)C(=O)NCCF	ZINC000096939060	562804647	/nfs/dbraw/zinc/80/46/47/562804647.db2.gz	RURVLKCNIFFMDR-VBQNEWKGSA-N	0	0	699.869	2.787	1	0		KFAFRN
CCC[C@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939061	562804650	/nfs/dbraw/zinc/80/46/50/562804650.db2.gz	FUOWEQDGPVOGIU-ICDZXHCJSA-N	0	0	581.758	2.627	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939062	562804662	/nfs/dbraw/zinc/80/46/62/562804662.db2.gz	FUOWEQDGPVOGIU-QLBJFCOMSA-N	0	0	581.758	2.627	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939063	562804668	/nfs/dbraw/zinc/80/46/68/562804668.db2.gz	FUOWEQDGPVOGIU-CAOCKLPOSA-N	0	0	581.758	2.627	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939064	562804645	/nfs/dbraw/zinc/80/46/45/562804645.db2.gz	FUOWEQDGPVOGIU-GPXOXTDOSA-N	0	0	581.758	2.627	1	0		KFAFRN
CCC[C@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)NC2CCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939065	562804665	/nfs/dbraw/zinc/80/46/65/562804665.db2.gz	XPBKMWKKQUCZLN-WYMJOSIYSA-N	0	0	593.769	2.772	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)NC2CCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939066	562804648	/nfs/dbraw/zinc/80/46/48/562804648.db2.gz	XPBKMWKKQUCZLN-ZRJLEYOISA-N	0	0	593.769	2.772	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)NC2CCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939067	562804652	/nfs/dbraw/zinc/80/46/52/562804652.db2.gz	XPBKMWKKQUCZLN-OIKPOIBNSA-N	0	0	593.769	2.772	1	0		KFAFRN
CCC[C@@H](NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)NC2CCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1	ZINC000096939068	562804702	/nfs/dbraw/zinc/80/47/02/562804702.db2.gz	XPBKMWKKQUCZLN-IEUSDUHPSA-N	0	0	593.769	2.772	1	0		KFAFRN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@H](C)CO2	ZINC000096941680	562805016	/nfs/dbraw/zinc/80/50/16/562805016.db2.gz	QHTZNDYCQGKEKZ-FFRGILRJSA-N	0	0	592.770	2.797	1	0		KFAFRN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000096941681	562805040	/nfs/dbraw/zinc/80/50/40/562805040.db2.gz	QHTZNDYCQGKEKZ-KRTMVWIXSA-N	0	0	592.770	2.797	1	0		KFAFRN
Cc1cc(O)cc(C)c1C[C@H](NC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000096941697	562805014	/nfs/dbraw/zinc/80/50/14/562805014.db2.gz	GMXYZKQOJAODEJ-BBACVFHCSA-N	0	0	704.828	2.896	1	0		KFAFRN
COC[C@H]1Oc2cc([C@H]3OC[C@]4(O)[C@@H](Oc5c(OC)cccc5OC)OC[C@H]34)c(OC)cc2O[C@H]1C	ZINC000098081906	562805163	/nfs/dbraw/zinc/80/51/63/562805163.db2.gz	FFWVWYBZKASJPL-BWNKRUECSA-N	0	0	504.532	2.741	1	0		KFAFRN
COC[C@H]1Oc2cc([C@H]3OC[C@]4(O)[C@@H](Oc5c(OC)cccc5OC)OC[C@H]34)c(OC)cc2O[C@@H]1C	ZINC000098081907	562805130	/nfs/dbraw/zinc/80/51/30/562805130.db2.gz	FFWVWYBZKASJPL-OHXUAORHSA-N	0	0	504.532	2.741	1	0		KFAFRN
CC(=O)Nc1ccc(OC(=O)c2ccccc2N(CCO[N+](=O)[O-])c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000098082432	562805232	/nfs/dbraw/zinc/80/52/32/562805232.db2.gz	GJDAENKUCRPWCX-UHFFFAOYSA-N	0	0	514.516	2.858	1	0		KFAFRN
Nc1nc2c(ncn2S(=O)(=O)c2ccccc2)c(NCC(=O)NC(=S)Nc2nc3c(cccc3Cl)s2)n1	ZINC000098083552	562805456	/nfs/dbraw/zinc/80/54/56/562805456.db2.gz	LMAGHNHTNPZQAC-UHFFFAOYSA-N	0	0	574.073	2.834	1	0		KFAFRN
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)C(=O)NC	ZINC000098208349	581091102	/nfs/dbraw/zinc/09/11/02/581091102.db2.gz	ZUBYZUAWOJPWQU-YIPNQBBMSA-N	0	0	637.769	2.512	1	0	in-vitro	KFAFRN
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C	ZINC000098208449	562806028	/nfs/dbraw/zinc/80/60/28/562806028.db2.gz	PHMXBPXKHLNRTM-DDRRAVBJSA-N	0	0	585.771	2.778	1	0	in-vitro	KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)C(C)(C)C	ZINC000098208450	562806003	/nfs/dbraw/zinc/80/60/03/562806003.db2.gz	BSMNRBWKVZRMBK-PEISPCAHSA-N	0	0	585.771	2.778	1	0	in-vitro	KFAFRN
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C	ZINC000098208452	562805994	/nfs/dbraw/zinc/80/59/94/562805994.db2.gz	ALYDGEQICGMVIP-UYIZUTNXSA-N	0	0	619.788	2.975	1	0	in-vitro	KFAFRN
CN1CCN(C(=O)[C@H](CNC(=O)c2ccc(Cl)s2)NS(=O)(=O)c2cc(F)cc(N3CCCCC3=O)c2Cl)CC1	ZINC000098208556	562806023	/nfs/dbraw/zinc/80/60/23/562806023.db2.gz	PVTLJXXAPWJMAT-INIZCTEOSA-N	0	0	620.556	2.562	1	0	in-vitro	KFAFRN
COC[C@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)[C@@H]3CCO[C@@H]31)[C@@H](O[C@H]1O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]1O)[C@H](O)[C@@H]2C	ZINC000098208871	562806037	/nfs/dbraw/zinc/80/60/37/562806037.db2.gz	VVWLHUXTBJWIOB-JLTRQRTNSA-N	0	0	578.743	2.957	1	0	in-vitro	KFAFRN
CN(CCO)[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O	ZINC000100014317	562806100	/nfs/dbraw/zinc/80/61/00/562806100.db2.gz	XPCYGKNGEFHXCZ-RQYFMHENSA-N	0	0	557.757	2.543	1	0		KFAFRN
CN(C)CC[NH2+][C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O	ZINC000100014340	562806136	/nfs/dbraw/zinc/80/61/36/562806136.db2.gz	COMZNWYUZVTMOW-GYVXDGDLSA-N	0	0	570.800	2.770	1	0		KFAFRN
CN1C=CCC(C(=O)NC[C@H](OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c2ccccc2)=C1	ZINC000100021558	562806163	/nfs/dbraw/zinc/80/61/63/562806163.db2.gz	OLOVGRXNZJLOHM-PTSPBZQHSA-N	0	0	574.703	2.910	1	0		KFAFRN
CN1C=CCC(C(=O)NC[C@H](OC(=O)[C@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c2ccccc2)=C1	ZINC000100021560	562806157	/nfs/dbraw/zinc/80/61/57/562806157.db2.gz	OLOVGRXNZJLOHM-ONJQCEQUSA-N	0	0	574.703	2.910	1	0		KFAFRN
CN1C=CCC(C(=O)NC[C@@H](OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c2ccccc2)=C1	ZINC000100021562	562806168	/nfs/dbraw/zinc/80/61/68/562806168.db2.gz	OLOVGRXNZJLOHM-JAVQUFKRSA-N	0	0	574.703	2.910	1	0		KFAFRN
CN1C=CCC(C(=O)NC[C@@H](OC(=O)[C@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c2ccccc2)=C1	ZINC000100021566	562806164	/nfs/dbraw/zinc/80/61/64/562806164.db2.gz	OLOVGRXNZJLOHM-CTDWIVFPSA-N	0	0	574.703	2.910	1	0		KFAFRN
Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)C1=CN(C)C=CC1	ZINC000100021638	562806143	/nfs/dbraw/zinc/80/61/43/562806143.db2.gz	AVJGBFLUSAGQGU-AWRGLXIESA-N	0	0	552.609	2.588	1	0		KFAFRN
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)C1=CN(C)C=CC1	ZINC000100021641	562806147	/nfs/dbraw/zinc/80/61/47/562806147.db2.gz	AVJGBFLUSAGQGU-ZFGGDYGUSA-N	0	0	552.609	2.588	1	0		KFAFRN
Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)C1=CN(C)C=CC1	ZINC000100021644	562806144	/nfs/dbraw/zinc/80/61/44/562806144.db2.gz	AVJGBFLUSAGQGU-HFMPRLQTSA-N	0	0	552.609	2.588	1	0		KFAFRN
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)C1=CN(C)C=CC1	ZINC000100021645	562806151	/nfs/dbraw/zinc/80/61/51/562806151.db2.gz	AVJGBFLUSAGQGU-DPLHUUCSSA-N	0	0	552.609	2.588	1	0		KFAFRN
CCOC(=O)C1=C(COCCn2cc(N)n(C)c2=O)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000100021899	562806156	/nfs/dbraw/zinc/80/61/56/562806156.db2.gz	OAVJCEJVMYFEPV-VLMSHNLISA-N	0	0	504.971	2.931	1	0		KFAFRN
CCOC(=O)C1=C(COCCn2cc(N)n(C)c2=O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000100021902	562806167	/nfs/dbraw/zinc/80/61/67/562806167.db2.gz	OAVJCEJVMYFEPV-SSRRSSPNSA-N	0	0	504.971	2.931	1	0		KFAFRN
CC[C@@]1(C)CN(Cc2ccc(F)cc2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000100095107	562806771	/nfs/dbraw/zinc/80/67/71/562806771.db2.gz	IUZFONGEAJFAPS-QHCPKHFHSA-N	0	0	536.607	2.981	1	0		KFAFRN
CCCC[C@]1(C)CN(C2CCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000100095118	562806788	/nfs/dbraw/zinc/80/67/88/562806788.db2.gz	KSRQINXXKIERIS-JOCHJYFZSA-N	0	0	510.638	2.974	1	0		KFAFRN
C[C@@]1(CCC2CC2)CN(C2CCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000100095125	562806778	/nfs/dbraw/zinc/80/67/78/562806778.db2.gz	NIHDVGGBIUGAPI-HSZRJFAPSA-N	0	0	522.649	2.974	1	0		KFAFRN
CC(C)[C@H]1CC(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cc1	ZINC000100095159	562806799	/nfs/dbraw/zinc/80/67/99/562806799.db2.gz	HQQSABLORBVNSD-GOSISDBHSA-N	0	0	536.607	2.979	1	0		KFAFRN
CC(C)CC[C@]1(C)CN(C2CC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000100095195	562806812	/nfs/dbraw/zinc/80/68/12/562806812.db2.gz	XVNDDRSOISSXJF-JOCHJYFZSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cn1	ZINC000100095537	562806814	/nfs/dbraw/zinc/80/68/14/562806814.db2.gz	HEBOJYUZFDLSAA-OAQYLSRUSA-N	0	0	536.607	2.902	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000100308074	562806862	/nfs/dbraw/zinc/80/68/62/562806862.db2.gz	CBVCZFGXHXORBI-UVMOQAHJSA-N	0	0	613.803	2.867	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=c1c(=O)c3cccn3n(Cc3ccc(F)c(Cl)c3)c1=O)N2	ZINC000100424730	562807021	/nfs/dbraw/zinc/80/70/21/562807021.db2.gz	VELNKBHDMSDCAB-UHFFFAOYSA-N	0	0	565.992	2.580	1	0		KFAFRN
O=c1c2cccn2n(Cc2ccc(F)cc2)c(=O)c1=C1Nc2ccc([C@@H]3CCCS3(=O)=O)cc2S(=O)(=O)N1	ZINC000100424738	562806972	/nfs/dbraw/zinc/80/69/72/562806972.db2.gz	JBJBMFSJXGKNDA-FQEVSTJZSA-N	0	0	556.597	2.805	1	0		KFAFRN
O=c1c2cccn2n(Cc2ccc(F)cc2)c(=O)c1=C1Nc2ccc([C@H]3CCCS3(=O)=O)cc2S(=O)(=O)N1	ZINC000100424741	562806986	/nfs/dbraw/zinc/80/69/86/562806986.db2.gz	JBJBMFSJXGKNDA-HXUWFJFHSA-N	0	0	556.597	2.805	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c(-c3cccs3)nn(CC3CC3)c1=O)N2	ZINC000100424900	562807008	/nfs/dbraw/zinc/80/70/08/562807008.db2.gz	DZNZSACVKRJKHT-UHFFFAOYSA-N	0	0	520.614	2.657	1	0		KFAFRN
CN(Cc1cccc2c1S(=O)(=O)N=C2C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O)S(C)(=O)=O	ZINC000100425098	562807032	/nfs/dbraw/zinc/80/70/32/562807032.db2.gz	HAEGRSUMQRTSKF-UHFFFAOYSA-N	0	0	554.021	2.749	1	0		KFAFRN
CN(Cc1cccc2c1S(=O)(=O)N=C2C1C(=O)N(Cc2ccc(F)c(Cl)c2)C(C)(C)C1=O)S(C)(=O)=O	ZINC000100425112	562807047	/nfs/dbraw/zinc/80/70/47/562807047.db2.gz	AFNLHAJWLPAJEQ-UHFFFAOYSA-N	0	0	556.037	2.995	1	0		KFAFRN
CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCC[C@H]21	ZINC000100425178	562807050	/nfs/dbraw/zinc/80/70/50/562807050.db2.gz	FMBGSDDLWWWFEX-GOEBONIOSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCC[C@@H]21	ZINC000100425182	562807070	/nfs/dbraw/zinc/80/70/70/562807070.db2.gz	FMBGSDDLWWWFEX-HOCLYGCPSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCC[C@H]21	ZINC000100425184	562807030	/nfs/dbraw/zinc/80/70/30/562807030.db2.gz	FMBGSDDLWWWFEX-GDBMZVCRSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCC[C@@H]21	ZINC000100425188	562807026	/nfs/dbraw/zinc/80/70/26/562807026.db2.gz	FMBGSDDLWWWFEX-ZBFHGGJFSA-N	0	0	510.638	2.830	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@@H]3N(C3CCCCC3)C1=O)N2	ZINC000100425386	562807054	/nfs/dbraw/zinc/80/70/54/562807054.db2.gz	PGEUQHWNJSXQCK-WBVHZDCISA-N	0	0	508.622	2.727	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@@H]3N(C3CCCCC3)C1=O)N2	ZINC000100425390	562807056	/nfs/dbraw/zinc/80/70/56/562807056.db2.gz	PGEUQHWNJSXQCK-RDJZCZTQSA-N	0	0	508.622	2.727	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@H]3N(C3CCCCC3)C1=O)N2	ZINC000100425395	562807075	/nfs/dbraw/zinc/80/70/75/562807075.db2.gz	PGEUQHWNJSXQCK-NVXWUHKLSA-N	0	0	508.622	2.727	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(C3CCCCC3)C1=O)N2	ZINC000100425398	562807048	/nfs/dbraw/zinc/80/70/48/562807048.db2.gz	PGEUQHWNJSXQCK-DOTOQJQBSA-N	0	0	508.622	2.727	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@@H]3N(Cc3cccc(F)c3)C1=O)N2	ZINC000100425456	562807052	/nfs/dbraw/zinc/80/70/52/562807052.db2.gz	SOPYUPQZPXJCLM-AEFFLSMTSA-N	0	0	534.591	2.733	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@@H]3N(Cc3cccc(F)c3)C1=O)N2	ZINC000100425459	562807039	/nfs/dbraw/zinc/80/70/39/562807039.db2.gz	SOPYUPQZPXJCLM-WMZOPIPTSA-N	0	0	534.591	2.733	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(Cc3cccc(F)c3)C1=O)N2	ZINC000100425465	562807077	/nfs/dbraw/zinc/80/70/77/562807077.db2.gz	SOPYUPQZPXJCLM-FUHWJXTLSA-N	0	0	534.591	2.733	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@@H]3N(CCc3ccccc3)C1=O)N2	ZINC000100425487	562807121	/nfs/dbraw/zinc/80/71/21/562807121.db2.gz	MGUXZPPFAIOCDT-MJGOQNOKSA-N	0	0	530.628	2.637	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@@H]3N(CCc3ccccc3)C1=O)N2	ZINC000100425493	562807100	/nfs/dbraw/zinc/80/71/00/562807100.db2.gz	MGUXZPPFAIOCDT-HKUYNNGSSA-N	0	0	530.628	2.637	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCC[C@H]3N(CCc3ccccc3)C1=O)N2	ZINC000100425498	562807087	/nfs/dbraw/zinc/80/70/87/562807087.db2.gz	MGUXZPPFAIOCDT-IEBWSBKVSA-N	0	0	530.628	2.637	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(CCc3ccccc3)C1=O)N2	ZINC000100425504	562807118	/nfs/dbraw/zinc/80/71/18/562807118.db2.gz	MGUXZPPFAIOCDT-PKOBYXMFSA-N	0	0	530.628	2.637	1	0		KFAFRN
CC(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCCC[C@H]21	ZINC000100425532	562807081	/nfs/dbraw/zinc/80/70/81/562807081.db2.gz	VDOHZTYEUXWZCP-DOTOQJQBSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCCC[C@@H]21	ZINC000100425539	562807102	/nfs/dbraw/zinc/80/71/02/562807102.db2.gz	VDOHZTYEUXWZCP-RDJZCZTQSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCCC[C@H]21	ZINC000100425548	562807116	/nfs/dbraw/zinc/80/71/16/562807116.db2.gz	VDOHZTYEUXWZCP-NVXWUHKLSA-N	0	0	510.638	2.830	1	0		KFAFRN
CC(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCCC[C@@H]21	ZINC000100425552	562807095	/nfs/dbraw/zinc/80/70/95/562807095.db2.gz	VDOHZTYEUXWZCP-WBVHZDCISA-N	0	0	510.638	2.830	1	0		KFAFRN
CCCCOC(=O)[C@@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(C)=O)C1	ZINC000100751945	562807290	/nfs/dbraw/zinc/80/72/90/562807290.db2.gz	ZWLNRMROXQPTFK-QYHBWJHQSA-N	0	0	592.594	2.848	1	0		KFAFRN
CCCCOC(=O)[C@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(C)=O)C1	ZINC000100751946	562807325	/nfs/dbraw/zinc/80/73/25/562807325.db2.gz	ZWLNRMROXQPTFK-ZTCAMFEVSA-N	0	0	592.594	2.848	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)O	ZINC000100752659	562807289	/nfs/dbraw/zinc/80/72/89/562807289.db2.gz	VILRWWYXEPUNIH-RBIIDPHJSA-N	0	0	630.595	2.713	1	0		KFAFRN
C[C@@H]1[C@H](C)[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000100801886	562808015	/nfs/dbraw/zinc/80/80/15/562808015.db2.gz	ZJAYAXBPMCLKGE-HDKGHHFJSA-N	0	0	566.724	2.935	1	0		KFAFRN
COC(=O)c1ccc(O[P@](=O)(N[C@@H](C)C(=O)OC)OC[C@H]2C=C[C@@H](n3cnc4c3ncnc4N)C2)cc1	ZINC000101061444	562808990	/nfs/dbraw/zinc/80/89/90/562808990.db2.gz	BLLUEXRAGUKNLV-DOGWFMSWSA-N	0	0	530.478	2.667	1	0		KFAFRN
COCCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C	ZINC000101127159	562809334	/nfs/dbraw/zinc/80/93/34/562809334.db2.gz	PKBHNAIWHJDFAJ-QGZVFWFLSA-N	0	0	545.011	2.989	1	0		KFAFRN
CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)CC(C)(C)N1O	ZINC000101135470	562809396	/nfs/dbraw/zinc/80/93/96/562809396.db2.gz	PXVRVFIJDZLVNX-UHFFFAOYSA-N	0	0	540.713	2.788	1	0		KFAFRN
Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc21	ZINC000101174869	562809647	/nfs/dbraw/zinc/80/96/47/562809647.db2.gz	FFFBWRZJURVMEE-QFIPXVFZSA-N	0	0	563.659	2.828	1	0		KFAFRN
Cn1cc(S(C)(=O)=O)cc1-c1c2c(nn1Cc1cn(C)c3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C)c2=O	ZINC000101201280	562809989	/nfs/dbraw/zinc/80/99/89/562809989.db2.gz	AWTRBCCCJSATFT-UHFFFAOYSA-N	0	0	555.060	2.909	1	0		KFAFRN
CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3cc(CNS(C)(=O)=O)ccc32)C(=O)N1Cc1ccc(F)cc1	ZINC000101287972	562810235	/nfs/dbraw/zinc/81/02/35/562810235.db2.gz	OBVGWFMXELMOSX-JOCHJYFZSA-N	0	0	535.619	2.636	1	0		KFAFRN
CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3c2cccc3CNS(C)(=O)=O)C(=O)N1Cc1ccc(F)cc1	ZINC000101287986	562810231	/nfs/dbraw/zinc/81/02/31/562810231.db2.gz	ZMOVBEOGACXUBZ-JOCHJYFZSA-N	0	0	535.619	2.636	1	0	in-vitro	KFAFRN
CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3c2cccc3OCS(C)(=O)=O)C(=O)N1Cc1ccc(F)cc1	ZINC000101288007	562810225	/nfs/dbraw/zinc/81/02/25/562810225.db2.gz	LZBMQZPTLVJZRX-JOCHJYFZSA-N	0	0	536.603	2.967	1	0		KFAFRN
CC1(COc2cc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)ccc2NC(=O)CN2CCOCC2)COC1	ZINC000101394062	562810528	/nfs/dbraw/zinc/81/05/28/562810528.db2.gz	ZNRCBKKFSNMJEK-UHFFFAOYSA-N	0	0	549.624	2.983	1	0		KFAFRN
COCCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1	ZINC000101394103	562810536	/nfs/dbraw/zinc/81/05/36/562810536.db2.gz	PHVKARUHFBKTID-UHFFFAOYSA-N	0	0	523.586	2.593	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c2ncnc3N)O1)Oc1ccccc1	ZINC000101490830	562811015	/nfs/dbraw/zinc/81/10/15/562811015.db2.gz	OCJRRXHWPBXZSU-BNCZGPJRSA-N	0	0	506.431	2.904	1	0		KFAFRN
CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1O	ZINC000101497065	562811001	/nfs/dbraw/zinc/81/10/01/562811001.db2.gz	WWWOWFYASSQPNE-UHFFFAOYSA-N	0	0	568.767	2.509	1	0		KFAFRN
CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)(C)N1O	ZINC000101497073	562811002	/nfs/dbraw/zinc/81/10/02/562811002.db2.gz	ZXDULVLLDKEKED-UHFFFAOYSA-N	0	0	540.713	2.788	1	0		KFAFRN
COc1cc(O)c2c(c1)[C@@H]([C@H]1OC[C@H](OC(C)=O)[C@H](OC(=O)C=C(C)C)[C@H]1O)c1cc(C)cc(O)c1C2=O	ZINC000101529211	562811247	/nfs/dbraw/zinc/81/12/47/562811247.db2.gz	LARBGQKKKKPZPS-DEHKCOQXSA-N	0	0	526.538	2.661	1	0		KFAFRN
CCCC[C@@H](COC(=O)C(C)(C)C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000101547266	562811279	/nfs/dbraw/zinc/81/12/79/562811279.db2.gz	QEDHMQRMCWZHDI-YOTCQLIXSA-N	0	0	596.618	2.776	1	0		KFAFRN
CCOc1ccc([C@@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1	ZINC000101588140	562811347	/nfs/dbraw/zinc/81/13/47/562811347.db2.gz	KJISMMFJJNLRBV-OKDASEJXSA-N	0	0	520.552	2.860	1	0		KFAFRN
COc1ncc([C@@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C	ZINC000101588160	562811374	/nfs/dbraw/zinc/81/13/74/562811374.db2.gz	YCUKJXACAKDNPS-OKDASEJXSA-N	0	0	520.552	2.778	1	0		KFAFRN
CN(C)c1ccc([C@@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1	ZINC000101588166	562811345	/nfs/dbraw/zinc/81/13/45/562811345.db2.gz	ORTDTBDMKNAQPI-OKDASEJXSA-N	0	0	519.568	2.527	1	0		KFAFRN
CCOC(=O)[C@H](N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1)C(C)C	ZINC000101611676	562811411	/nfs/dbraw/zinc/81/14/11/562811411.db2.gz	KWQOGUBQLGBTRL-KRBDZSBPSA-N	0	0	507.480	2.680	1	0		KFAFRN
CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)[C@@H]1O	ZINC000101670209	562811654	/nfs/dbraw/zinc/81/16/54/562811654.db2.gz	KBZJWPGSJWUHPT-DSFNJXJWSA-N	0	0	520.619	2.588	1	0		KFAFRN
CCOC(=O)C1=C(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)Nc2ccccc2N=C1CC	ZINC000101760879	562812077	/nfs/dbraw/zinc/81/20/77/562812077.db2.gz	CERGFEQGIACFBW-UHFFFAOYSA-N	0	0	512.588	2.820	1	0		KFAFRN
CCCC(CCC)COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000101817608	562812214	/nfs/dbraw/zinc/81/22/14/562812214.db2.gz	CTQKOPUQJCOMPY-SWISVEROSA-N	0	0	596.618	2.776	1	0		KFAFRN
C[C@H](N[P@@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccc(F)cc1)C(=O)OCc1ccccc1	ZINC000101828089	562812246	/nfs/dbraw/zinc/81/22/46/562812246.db2.gz	XGFQNKACCKRNMN-JCXXBXDNSA-N	0	0	560.479	2.740	1	0		KFAFRN
CC(C)(N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000101844682	562812256	/nfs/dbraw/zinc/81/22/56/562812256.db2.gz	ARLGFRIOIANYPC-KDXMTYKHSA-N	0	0	556.516	2.991	1	0		KFAFRN
Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OCO[C@H]3C2)CSC1(C)C	ZINC000101958048	562812373	/nfs/dbraw/zinc/81/23/73/562812373.db2.gz	BXWXFPHGZVJTQE-HNXVLALESA-N	0	0	597.734	2.894	1	0		KFAFRN
CC(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21	ZINC000101978535	562812452	/nfs/dbraw/zinc/81/24/52/562812452.db2.gz	AXQWSKSKNKFXCX-LOSGSANQSA-N	0	0	522.649	2.686	1	0		KFAFRN
CC(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]21	ZINC000101979066	562812449	/nfs/dbraw/zinc/81/24/49/562812449.db2.gz	AXQWSKSKNKFXCX-MKKLKVPQSA-N	0	0	522.649	2.686	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3nccs3)C1=O)N2	ZINC000101979586	562812447	/nfs/dbraw/zinc/81/24/47/562812447.db2.gz	JMSBZMXBAOVHJU-WARCVTAXSA-N	0	0	563.683	2.687	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(CC3CCCC3)C1=O)N2	ZINC000101980259	562812461	/nfs/dbraw/zinc/81/24/61/562812461.db2.gz	UEEREJRFHDJTBM-SAGGLDICSA-N	0	0	534.660	2.830	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(CC3CCCC3)C1=O)N2	ZINC000102029541	562812582	/nfs/dbraw/zinc/81/25/82/562812582.db2.gz	UEEREJRFHDJTBM-HPTYEUTDSA-N	0	0	534.660	2.830	1	0		KFAFRN
CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@H](O)[C@@H]1O	ZINC000102063282	562812612	/nfs/dbraw/zinc/81/26/12/562812612.db2.gz	FUPJGZANOCRRFQ-UGCAPWQASA-N	0	0	525.630	2.585	1	0		KFAFRN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3cccc(F)c3)C1=O)N2	ZINC000102230871	562813006	/nfs/dbraw/zinc/81/30/06/562813006.db2.gz	VWALFMROYLNDFV-RLHIPHHXSA-N	0	0	560.629	2.979	1	0		KFAFRN
COc1cc(CN2C(=O)C(=C3Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)N3)C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]32)ccc1F	ZINC000102231902	562813014	/nfs/dbraw/zinc/81/30/14/562813014.db2.gz	MWXLRRALVCATBT-GJAXGBRVSA-N	0	0	590.655	2.988	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cccc2ccccc21	ZINC000102258848	562813064	/nfs/dbraw/zinc/81/30/64/562813064.db2.gz	KUPUOQIRQZUZBN-HGOYMHSNSA-N	0	0	515.459	2.807	1	0		KFAFRN
CCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3OC)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21	ZINC000102264402	562813052	/nfs/dbraw/zinc/81/30/52/562813052.db2.gz	YETVNKZUGVEWHF-RBIIDPHJSA-N	0	0	630.595	2.715	1	0		KFAFRN
COC(=O)[C@@H](N[P@](=O)(OCCOCn1cnc2c1nc(N)[nH]c2=O)Oc1cccc2ccccc21)C(C)C	ZINC000102311093	562813181	/nfs/dbraw/zinc/81/31/81/562813181.db2.gz	NDYNKZQRVAZFLE-YELMDFBASA-N	0	0	544.505	2.820	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCC1	ZINC000102408082	562813207	/nfs/dbraw/zinc/81/32/07/562813207.db2.gz	NPFZFHJDNKXBAI-AZWVZOCHSA-N	0	0	569.523	2.581	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccc(F)cc1)C(=O)OC1CCCCC1	ZINC000102414316	562813247	/nfs/dbraw/zinc/81/32/47/562813247.db2.gz	RJMVGAZAYOUNNR-WMHSNBSXSA-N	0	0	587.513	2.720	1	0		KFAFRN
CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C	ZINC000102417441	562813234	/nfs/dbraw/zinc/81/32/34/562813234.db2.gz	DWUDGWBPRCGTDK-BORMGNRHSA-N	0	0	517.619	2.983	1	0		KFAFRN
O=C(CSc1nnc2c3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]c2n1)Nc1ccccc1Cl	ZINC000102596184	562813249	/nfs/dbraw/zinc/81/32/49/562813249.db2.gz	BEPPTHZGKDMYPH-UHFFFAOYSA-N	0	0	519.008	2.863	1	0		KFAFRN
COc1cc(NC(=O)CSc2nnc3c4cc(S(=O)(=O)NC(C)C)ccc4[nH]c3n2)cc(OC)c1OC	ZINC000102685625	562813278	/nfs/dbraw/zinc/81/32/78/562813278.db2.gz	AHPFFWRAFJULQM-UHFFFAOYSA-N	0	0	546.631	2.901	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccco2)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000102779150	562813297	/nfs/dbraw/zinc/81/32/97/562813297.db2.gz	QDAQIYJNIQHWCF-YQBRCWAOSA-N	0	0	558.484	2.665	1	0		KFAFRN
CC(C)(C)NC(=O)[C@H]1CN(Cc2cccnc2)CCN1C[S@](=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000102788962	562813328	/nfs/dbraw/zinc/81/33/28/562813328.db2.gz	RRUCYFWJPAYHNY-MPTISOCZSA-N	0	0	631.843	2.822	1	0		KFAFRN
CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000102822034	562813393	/nfs/dbraw/zinc/81/33/93/562813393.db2.gz	JQMKFKFKWPJCAL-PPHUIUKBSA-N	0	0	596.553	2.927	1	0		KFAFRN
CC(C)(C)C(=O)OC[C@@H](Cc1ccccc1)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000102884600	562813439	/nfs/dbraw/zinc/81/34/39/562813439.db2.gz	WGVLDFLEPBLEEF-CUAQGRRLSA-N	0	0	630.635	2.829	1	0		KFAFRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c3c2ncnc3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000102926002	562813527	/nfs/dbraw/zinc/81/35/27/562813527.db2.gz	DQNHNWHMCKDBCM-GDTJYYTRSA-N	0	0	555.475	2.884	1	0		KFAFRN
CSCC[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1	ZINC000103072558	562814226	/nfs/dbraw/zinc/81/42/26/562814226.db2.gz	VCJCPSDLQDFONU-DLUUYBCLSA-N	0	0	623.596	2.983	1	0		KFAFRN
COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@]2(O)[C@@H](C(=O)OC)[C@H]1C[C@H](c1ccc(OC(=O)C=Cc3ccccc3)cc1)[C@@H]2C(=O)OC	ZINC000103134278	562814438	/nfs/dbraw/zinc/81/44/38/562814438.db2.gz	ICHORRBWBMIVNU-RKBJEHMGSA-N	0	0	608.596	2.506	1	0		KFAFRN
COC(=O)C1C(=O)[C@H](C(=O)OC)[C@]2(O)[C@@H](C(=O)OC)[C@H]1C[C@H](c1ccc(OC(=O)C=Cc3ccccc3)cc1)[C@@H]2C(=O)OC	ZINC000103134279	562814432	/nfs/dbraw/zinc/81/44/32/562814432.db2.gz	ICHORRBWBMIVNU-JPHMIZJJSA-N	0	0	608.596	2.506	1	0		KFAFRN
CO[C@H]1C[C@H](C)Cc2cc(O)cc3c2O[C@@H]1[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)CC(=O)C[C@](C)(O)C(=O)N3	ZINC000103137241	562814418	/nfs/dbraw/zinc/81/44/18/562814418.db2.gz	VUEYGLBTPNFKRZ-UAAHXEIOSA-N	0	0	548.633	2.851	1	0		KFAFRN
O=c1c(=O)c(Nc2ccncc2)c1NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1	ZINC000103141765	562814496	/nfs/dbraw/zinc/81/44/96/562814496.db2.gz	UBCUUPBKHAUQNH-UHFFFAOYSA-N	0	0	563.721	2.622	1	0		KFAFRN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1	ZINC000103167726	562814673	/nfs/dbraw/zinc/81/46/73/562814673.db2.gz	DRTBJIRZILVXOU-UHFFFAOYSA-N	0	0	547.564	2.754	1	0		KFAFRN
CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(OC)c2)N(N=O)[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000103170849	562814818	/nfs/dbraw/zinc/81/48/18/562814818.db2.gz	MLDKUXYAKCZJHH-WAPCQROESA-N	0	0	580.612	2.779	1	0		KFAFRN
COC(=O)[C@@H]1O[C@]23O[C@H]4CC[C@]5(C)C(=CC(=O)O[C@H]5c5ccoc5)[C@H]4C[C@]2(O)C(=O)C(C)(C)[C@H]1[C@@H]3C	ZINC000103175176	562815042	/nfs/dbraw/zinc/81/50/42/562815042.db2.gz	FURLYOVLBBZMGR-RTRHYCDYSA-N	0	0	500.544	2.870	1	0		KFAFRN
CCN(CC)c1ccc2cc(-c3nc4sc(S(N)(=O)=O)nn4c3CN3CCCC3)c(=O)oc2c1	ZINC000103179157	562815214	/nfs/dbraw/zinc/81/52/14/562815214.db2.gz	GLDLSVGXJZMBAW-UHFFFAOYSA-N	0	0	502.622	2.654	1	0		KFAFRN
C/C=C(/C)C(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@](OC(C)=O)([C@@H]1OC(=O)c1ccccc1)[C@@H](OC(C)=O)CC[C@]3(C)O	ZINC000103179286	562815229	/nfs/dbraw/zinc/81/52/29/562815229.db2.gz	KBURRSGEXPXJJZ-WZLNOHLBSA-N	0	0	616.660	2.978	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(O)[C@@H](OC(C)=O)[C@@H](C(C)=O)C[C@@H](C)[C@@]13OC2(C)C	ZINC000103185655	562815410	/nfs/dbraw/zinc/81/54/10/562815410.db2.gz	HTYAZYFLARFPMO-QOFSOLGUSA-N	0	0	502.560	2.619	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(O)[C@@H](OC(C)=O)[C@@H](C(C)=O)C[C@H](C)[C@@]13OC2(C)C	ZINC000103185657	562815393	/nfs/dbraw/zinc/81/53/93/562815393.db2.gz	HTYAZYFLARFPMO-BBSWROLWSA-N	0	0	502.560	2.619	1	0		KFAFRN
COCCOCCOc1ccc(OC)c([C@H]2OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]23)c1	ZINC000103192783	562815715	/nfs/dbraw/zinc/81/57/15/562815715.db2.gz	SRNWEQVLWJCVGS-KYTRFIICSA-N	0	0	506.548	2.608	1	0		KFAFRN
COCCCC[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@](OC(C)=O)([C@@H]1OC(=O)c1ccccc1)[C@@H](O)CC[C@]3(C)O	ZINC000103194066	562815765	/nfs/dbraw/zinc/81/57/65/562815765.db2.gz	WHRRRQKCCIUXGV-HVCOLZBISA-N	0	0	562.656	2.962	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@]3(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C(C)=O)C[C@@H](C)[C@@]13OC2(C)C	ZINC000103195725	562815829	/nfs/dbraw/zinc/81/58/29/562815829.db2.gz	YVFCBIZXGOYZBC-QRZFRUHJSA-N	0	0	602.633	2.731	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@]3(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C(C)=O)C[C@H](C)[C@@]13OC2(C)C	ZINC000103195727	562815835	/nfs/dbraw/zinc/81/58/35/562815835.db2.gz	YVFCBIZXGOYZBC-CVCXVGHMSA-N	0	0	602.633	2.731	1	0		KFAFRN
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2[C@@H](OC(=O)c3cccnc3)[C@]3(OC2(C)C)[C@@](C)(O)CC[C@H](OC(=O)c2ccccc2)[C@@]13C	ZINC000103196162	562815854	/nfs/dbraw/zinc/81/58/54/562815854.db2.gz	QJLDVVCNHSFSOM-SHGWSHSSSA-N	0	0	553.608	2.854	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(C)[C@@H](OC(=O)c4ccccc4)CC[C@](C)(O)[C@@]13OC2(C)C	ZINC000103196164	562815873	/nfs/dbraw/zinc/81/58/73/562815873.db2.gz	WGDSITUJTHQBSE-TWTSRNLUSA-N	0	0	532.586	2.736	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(CO)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@@]13OC2(C)C	ZINC000103197771	562815949	/nfs/dbraw/zinc/81/59/49/562815949.db2.gz	GMWUKGFIBNNUQU-OKPVOZINSA-N	0	0	532.586	2.593	1	0		KFAFRN
C/C=C(\C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@@H]3[C@@H]2[C@@]1(C)[C@@H](CC(=O)OC)[C@]1(C)C2=C(C)[C@H](C4=C[C@H](O)OC4=O)C[C@H]2O[C@H]31	ZINC000103199479	562816043	/nfs/dbraw/zinc/81/60/43/562816043.db2.gz	XXNRCIYKNVWIRZ-MGZLHKJFSA-N	0	0	586.678	2.761	1	0		KFAFRN
C/C=C(\C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@@H]3[C@@H]2[C@@]1(C)[C@@H](CC(=O)OC)[C@]1(C)C2=C(C)[C@H](C4=C[C@@H](O)OC4=O)C[C@H]2O[C@H]31	ZINC000103199482	562816034	/nfs/dbraw/zinc/81/60/34/562816034.db2.gz	XXNRCIYKNVWIRZ-WWBDTCAGSA-N	0	0	586.678	2.761	1	0		KFAFRN
CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CNS(C)(=O)=O)nn1-c1ncccc1Cl	ZINC000103207116	562816438	/nfs/dbraw/zinc/81/64/38/562816438.db2.gz	LCNGKFSKJZHWNY-UHFFFAOYSA-N	0	0	511.391	2.544	1	0		KFAFRN
COC(=CC(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-])C(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-]	ZINC000103208996	562816588	/nfs/dbraw/zinc/81/65/88/562816588.db2.gz	BJDGUCHQWLKNAX-RTQLAPIQSA-N	0	0	563.402	2.724	1	0		KFAFRN
COC(=CC(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-])C(=C1NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-]	ZINC000103208999	562816586	/nfs/dbraw/zinc/81/65/86/562816586.db2.gz	BJDGUCHQWLKNAX-JZQFIQHPSA-N	0	0	563.402	2.724	1	0		KFAFRN
COc1ccc([C@H]2c3sc(Nc4ccc(S(N)(=O)=O)cc4)nc3Oc3nc[nH]c(=O)c32)cc1OC	ZINC000103209411	562816610	/nfs/dbraw/zinc/81/66/10/562816610.db2.gz	HCCRAFRRZDBTRW-MRXNPFEDSA-N	0	0	513.557	2.921	1	0		KFAFRN
COc1ccc([C@@H]2c3sc(Nc4ccc(S(N)(=O)=O)cc4)nc3Oc3nc[nH]c(=O)c32)cc1OC	ZINC000103209415	562816615	/nfs/dbraw/zinc/81/66/15/562816615.db2.gz	HCCRAFRRZDBTRW-INIZCTEOSA-N	0	0	513.557	2.921	1	0		KFAFRN
CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N(N=O)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000103210875	562816687	/nfs/dbraw/zinc/81/66/87/562816687.db2.gz	SXVHKKQEGYMGQU-COPRSSIGSA-N	0	0	520.560	2.761	1	0		KFAFRN
CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1c(N)cccc1Cl)[C@H]1[C@@H](C[C@H]3C)C1(C)C	ZINC000103225306	562817643	/nfs/dbraw/zinc/81/76/43/562817643.db2.gz	YNWSWJBAJHXCMV-VZNJPERDSA-N	0	0	502.007	2.916	1	0		KFAFRN
Cc1cc(S(=O)(=O)NC(=N)Nc2nnc(S(N)(=O)=O)s2)c(SCc2ccccc2)cc1Cl	ZINC000103230270	562818155	/nfs/dbraw/zinc/81/81/55/562818155.db2.gz	YTXHNJAKXLLACY-UHFFFAOYSA-N	0	0	533.082	2.765	1	0		KFAFRN
Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1	ZINC000103231398	562818304	/nfs/dbraw/zinc/81/83/04/562818304.db2.gz	PLYKTOLQBIXXGU-ZSHCYNCHSA-N	0	0	510.613	2.938	1	0		KFAFRN
Cc1ccc([C@@H](C)NC(=O)c2cc(=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)o2)cc1	ZINC000103234356	562818577	/nfs/dbraw/zinc/81/85/77/562818577.db2.gz	NLFCFHCFMOUWIJ-OBBJCRILSA-N	0	0	621.654	2.960	1	0		KFAFRN
C[C@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1	ZINC000103235228	562818703	/nfs/dbraw/zinc/81/87/03/562818703.db2.gz	RMAQSUPUFBVKQM-TVIOGVOPSA-N	0	0	607.627	2.652	1	0		KFAFRN
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)C1CCCCC1	ZINC000103235231	562818736	/nfs/dbraw/zinc/81/87/36/562818736.db2.gz	DSCKNYSAVKQQQY-ATVOGRQSSA-N	0	0	613.675	2.859	1	0		KFAFRN
CC(=O)c1nnn(-c2cnn(Cc3ccc(I)cc3)c(=O)c2Br)c1C	ZINC000103235305	562818729	/nfs/dbraw/zinc/81/87/29/562818729.db2.gz	UOVGSBMVUJEVKQ-UHFFFAOYSA-N	0	0	514.121	2.750	1	0		KFAFRN
CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3ccccn3)N(C(=O)c3coc4ccccc34)C2)n(CC)n1	ZINC000103238585	562819147	/nfs/dbraw/zinc/81/91/47/562819147.db2.gz	RVUWKEXSSLHGEH-OFNKIYASSA-N	0	0	514.586	2.936	1	0		KFAFRN
CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3nccs3)N(C(=O)c3coc4ccccc34)C2)n(C)n1	ZINC000103239466	562819356	/nfs/dbraw/zinc/81/93/56/562819356.db2.gz	YUBLMKUUHLMOMN-UZLBHIALSA-N	0	0	506.588	2.515	1	0		KFAFRN
CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3ccc(C)o3)N(C(=O)c3coc4ccccc34)C2)n(C)n1	ZINC000103239480	562819384	/nfs/dbraw/zinc/81/93/84/562819384.db2.gz	RCOXTQNZBHSDKX-JPYJTQIMSA-N	0	0	503.559	2.960	1	0		KFAFRN
CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCC(=O)OC)N(C(=O)c3coc4ccccc34)C2)n(Cc2ccccc2)n1	ZINC000103239502	562819351	/nfs/dbraw/zinc/81/93/51/562819351.db2.gz	HXJFIZAXSQYDSD-QPPBQGQZSA-N	0	0	557.607	2.542	1	0		KFAFRN
CCc1c(N2CCOCC2=O)cccc1S(=O)(=O)N[C@@H](Cc1cc(-c2ccc(Cl)s2)on1)C(=O)N1CCC(O)CC1	ZINC000103240174	562819406	/nfs/dbraw/zinc/81/94/06/562819406.db2.gz	RKLBLCDJBJDJCD-FQEVSTJZSA-N	0	0	623.153	2.855	1	0		KFAFRN
CCc1c(N2CCOCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCC(C)CC1	ZINC000103240185	562819425	/nfs/dbraw/zinc/81/94/25/562819425.db2.gz	IFEIYEIENSCXHQ-IBGZPJMESA-N	0	0	597.159	2.663	1	0		KFAFRN
CCc1c(-c2ccccn2)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1csc(Cl)c1)C(=O)N1CCOCC1	ZINC000103240235	562819410	/nfs/dbraw/zinc/81/94/10/562819410.db2.gz	KQPFUOSLSLREAQ-NRFANRHFSA-N	0	0	563.101	2.962	1	0		KFAFRN
CCc1c(N2CCCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C	ZINC000103240242	562819385	/nfs/dbraw/zinc/81/93/85/562819385.db2.gz	MIMFPYZFIMECLR-HKUYNNGSSA-N	0	0	597.159	2.805	1	0		KFAFRN
CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N(CC)CC	ZINC000103244050	562819716	/nfs/dbraw/zinc/81/97/16/562819716.db2.gz	LZIPUDPEBOOBPP-QFIPXVFZSA-N	0	0	511.623	2.926	1	0		KFAFRN
CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N1CCCC1	ZINC000103244054	562819717	/nfs/dbraw/zinc/81/97/17/562819717.db2.gz	ASDGDYJTNXVUCK-QFIPXVFZSA-N	0	0	509.607	2.680	1	0		KFAFRN
NS(=O)(=O)OCCn1cnc2c1nc(NCc1ccc(C3CCCCC3)cc1)nc2N1CCOCC1	ZINC000103246501	562819923	/nfs/dbraw/zinc/81/99/23/562819923.db2.gz	MZRIDGCUOWVBTC-UHFFFAOYSA-N	0	0	515.640	2.543	1	0		KFAFRN
O=C(NCCCCCCS(=O)(=O)N(CCN1CCOCC1)CC1CCCCC1)NCc1cccnc1	ZINC000103247728	562819997	/nfs/dbraw/zinc/81/99/97/562819997.db2.gz	YUNBWGFKJTXNCO-UHFFFAOYSA-N	0	0	523.744	2.986	1	0		KFAFRN
O=S(=O)(CCCCCCNC(=S)Nc1ccncc1)N(OCCN1CCOCC1)C1CCCC1	ZINC000103247752	562819990	/nfs/dbraw/zinc/81/99/90/562819990.db2.gz	GBVZNNOKBRUBEI-UHFFFAOYSA-N	0	0	513.730	2.767	1	0		KFAFRN
CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000103248652	562820074	/nfs/dbraw/zinc/82/00/74/562820074.db2.gz	SDTCAQIWCVJING-UHFFFAOYSA-N	0	0	575.636	2.753	1	0		KFAFRN
Cc1nc([C@]2(O)CCS(=O)(=O)C2)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1	ZINC000103249687	562820162	/nfs/dbraw/zinc/82/01/62/562820162.db2.gz	CVRZJJPSAMFXAB-FATZIPQQSA-N	0	0	530.607	2.962	1	0		KFAFRN
Cc1nc([C@@]2(O)CCS(=O)(=O)C2)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1	ZINC000103249690	562820155	/nfs/dbraw/zinc/82/01/55/562820155.db2.gz	CVRZJJPSAMFXAB-QKFKETGDSA-N	0	0	530.607	2.962	1	0		KFAFRN
CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000103249900	562820180	/nfs/dbraw/zinc/82/01/80/562820180.db2.gz	MWTMYRQCVAZQKO-UHFFFAOYSA-N	0	0	556.111	2.778	1	0		KFAFRN
CS(=O)(=O)c1ccc(F)cc1C(=O)N1CC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000103251096	562820321	/nfs/dbraw/zinc/82/03/21/562820321.db2.gz	SHDLAVPSELPXCM-UHFFFAOYSA-N	0	0	520.526	2.926	1	0		KFAFRN
CCCCCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1	ZINC000103253183	562820467	/nfs/dbraw/zinc/82/04/67/562820467.db2.gz	RXRLRURMBGPXOB-UZYHVIOXSA-N	0	0	560.491	2.634	1	0		KFAFRN
CCCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1	ZINC000103253185	562820462	/nfs/dbraw/zinc/82/04/62/562820462.db2.gz	RXRLRURMBGPXOB-LLFNKDAOSA-N	0	0	560.491	2.634	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCC1	ZINC000103253197	562820529	/nfs/dbraw/zinc/82/05/29/562820529.db2.gz	LVHYUTBYVPPDHJ-KMTCHCHPSA-N	0	0	572.502	2.777	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCC1	ZINC000103253199	562820517	/nfs/dbraw/zinc/82/05/17/562820517.db2.gz	LVHYUTBYVPPDHJ-VHSWFVAKSA-N	0	0	572.502	2.777	1	0		KFAFRN
Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]3CO[C@@H]4[C@H](OCc5ccccc5)CO[C@H]34)c2)cc1	ZINC000103254067	562820707	/nfs/dbraw/zinc/82/07/07/562820707.db2.gz	XZLXRLLLEURUDV-UZSVIBPSSA-N	0	0	626.732	2.732	1	0		KFAFRN
CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NCCc3ccccn3)N(C(=O)c3coc4ccccc34)C2)n(CC)n1	ZINC000103255728	562820789	/nfs/dbraw/zinc/82/07/89/562820789.db2.gz	NNYFMBGKRHQFRS-QPPBQGQZSA-N	0	0	528.613	2.979	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12	ZINC000103256441	562820819	/nfs/dbraw/zinc/82/08/19/562820819.db2.gz	ODJALUHHXJGPRG-XTAUHMBVSA-N	0	0	512.603	2.964	1	0		KFAFRN
CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NCc2ccncc2)n1	ZINC000103257269	562820900	/nfs/dbraw/zinc/82/09/00/562820900.db2.gz	IFGAKKDJKVVCHX-UHFFFAOYSA-N	0	0	525.635	2.969	1	0		KFAFRN
CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CCOCC2)n1	ZINC000103257272	562820905	/nfs/dbraw/zinc/82/09/05/562820905.db2.gz	PGCRMYCYVMGKSR-UHFFFAOYSA-N	0	0	518.640	2.553	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N1CCOCC1	ZINC000103257297	562820911	/nfs/dbraw/zinc/82/09/11/562820911.db2.gz	QGNVIKVRIFQXLK-ULBKPHCJSA-N	0	0	626.615	2.708	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000103257311	562820910	/nfs/dbraw/zinc/82/09/10/562820910.db2.gz	VJIBCZJKXFQCMA-JNTAVDMJSA-N	0	0	513.499	2.583	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@]2(CCO2)[C@@H]1O)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1	ZINC000103258635	562821054	/nfs/dbraw/zinc/82/10/54/562821054.db2.gz	BDBNEUAAXDECEG-KKEDJPNBSA-N	0	0	620.983	2.822	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@]2(CCO2)[C@@H]1O)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1	ZINC000103258637	562821057	/nfs/dbraw/zinc/82/10/57/562821057.db2.gz	BDBNEUAAXDECEG-AHTRJQMUSA-N	0	0	620.983	2.822	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]2(CCO2)[C@@H]1O)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1	ZINC000103258654	562821053	/nfs/dbraw/zinc/82/10/53/562821053.db2.gz	SXXINXQKJKXMGZ-KKEDJPNBSA-N	0	0	621.967	2.533	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]2(CCO2)[C@@H]1O)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1	ZINC000103258656	562821082	/nfs/dbraw/zinc/82/10/82/562821082.db2.gz	SXXINXQKJKXMGZ-AHTRJQMUSA-N	0	0	621.967	2.533	1	0		KFAFRN
Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@]3(CNC(=O)c2ccc(Cl)cc2Cl)c2ccccn2)c1	ZINC000103260036	562821142	/nfs/dbraw/zinc/82/11/42/562821142.db2.gz	RHVXEPUOLMPDCV-YPGOJHLTSA-N	0	0	506.415	2.740	1	0		KFAFRN
C[C@@H]1CS(=O)(=O)CCN1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc([C@](C)(O)C(F)(F)F)cc1	ZINC000103261602	562821486	/nfs/dbraw/zinc/82/14/86/562821486.db2.gz	KBCPDVCXFUERND-AGHHOFFYSA-N	0	0	581.704	2.516	1	0		KFAFRN
C[C@H]1CS(=O)(=O)CCN1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc([C@](C)(O)C(F)(F)F)cc1	ZINC000103261604	562821478	/nfs/dbraw/zinc/82/14/78/562821478.db2.gz	KBCPDVCXFUERND-XJABCFGWSA-N	0	0	581.704	2.516	1	0		KFAFRN
C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2CC3(COC3)C2)cc1)C(F)(F)F	ZINC000103261606	562821490	/nfs/dbraw/zinc/82/14/90/562821490.db2.gz	HLKDUJBSZHOVJV-PZJWPPBQSA-N	0	0	531.622	2.730	1	0		KFAFRN
C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2CC3(COC3)C2)cc1)C(F)(F)F	ZINC000103261608	562821503	/nfs/dbraw/zinc/82/15/03/562821503.db2.gz	HLKDUJBSZHOVJV-FPOVZHCZSA-N	0	0	531.622	2.730	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]21CN(c2ccc3c(cnn3CCN3CCOCC3)c2)CO1	ZINC000103262917	562821683	/nfs/dbraw/zinc/82/16/83/562821683.db2.gz	FZYNMFQBHZSMLN-WQACDBFFSA-N	0	0	630.742	2.657	1	0		KFAFRN
COC(=O)n1ncc2cc(NC[C@@]3(O)[C@]45O[C@H]4C[C@H]4C6=C(CC[C@]4(C)[C@@]54O[C@H]4[C@@H]4O[C@@]43C(C)C)C(=O)OC6)ccc21	ZINC000103262943	562821670	/nfs/dbraw/zinc/82/16/70/562821670.db2.gz	GJORMRPWBNFSEB-YCEKVQBPSA-N	0	0	563.607	2.550	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc2c(c1)C(C)(C)C(=O)N2C	ZINC000103262957	562821685	/nfs/dbraw/zinc/82/16/85/562821685.db2.gz	XZMRKEWHMORVMM-ZVYYUZOPSA-N	0	0	562.663	2.839	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc2nccnc2c1	ZINC000103262961	562821671	/nfs/dbraw/zinc/82/16/71/562821671.db2.gz	JLCUNLYWZPBYBW-FIFWJRLGSA-N	0	0	517.582	2.529	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc2ncncc2c1	ZINC000103262964	562821661	/nfs/dbraw/zinc/82/16/61/562821661.db2.gz	YCPZMSXCZDMTMZ-HXCPCIJPSA-N	0	0	517.582	2.529	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc2oc(=O)ccc2c1	ZINC000103262966	562821686	/nfs/dbraw/zinc/82/16/86/562821686.db2.gz	PFGQEKVFTTXKBI-RKMCVQCMSA-N	0	0	533.577	2.692	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc2occc(=O)c2c1	ZINC000103262968	562821703	/nfs/dbraw/zinc/82/17/03/562821703.db2.gz	OYETVDIOVAPCHM-NIDXLLLNSA-N	0	0	533.577	2.692	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]2(O)CNc1ccc2c(c1)C(=O)CCO2	ZINC000103262970	562821731	/nfs/dbraw/zinc/82/17/31/562821731.db2.gz	PEXNQLXDXIKKRB-NIDXLLLNSA-N	0	0	535.593	2.551	1	0		KFAFRN
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@]21CN(c2ccc3c(cnn3C)c2)CO1	ZINC000103262975	562821718	/nfs/dbraw/zinc/82/17/18/562821718.db2.gz	CHOKCRIHJIOEPO-OLFIFPTASA-N	0	0	531.609	2.862	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC2CCCC2)Oc2ccccc2)[C@@H](O)[C@]12CCO2	ZINC000103265452	562822104	/nfs/dbraw/zinc/82/21/04/562822104.db2.gz	FWRVDGFGMBWDJR-NQDHLRQFSA-N	0	0	618.584	2.502	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC2CCCC2)Oc2ccccc2)[C@@H](O)[C@]12CCO2	ZINC000103265454	562822122	/nfs/dbraw/zinc/82/21/22/562822122.db2.gz	FWRVDGFGMBWDJR-SFTKFHBVSA-N	0	0	618.584	2.502	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](O)[C@]12CCO2	ZINC000103265458	562822098	/nfs/dbraw/zinc/82/20/98/562822098.db2.gz	QBBUGVSYQKSNSK-RKBNGOEVSA-N	0	0	620.600	2.606	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](O)[C@]12CCO2	ZINC000103265460	562822163	/nfs/dbraw/zinc/82/21/63/562822163.db2.gz	QBBUGVSYQKSNSK-FSSXXMSTSA-N	0	0	620.600	2.606	1	0		KFAFRN
OC[C@H]1O[C@H](OC(COc2cccc3ccccc32)COc2cccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000103269543	562822775	/nfs/dbraw/zinc/82/27/75/562822775.db2.gz	DHDUJZRDNNTZBZ-PNHLWVRCSA-N	0	0	506.551	2.636	1	0		KFAFRN
COc1ccc2ccc(OCC(COc3ccc4ccc(OC)cc4c3)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2c1	ZINC000103269546	562822761	/nfs/dbraw/zinc/82/27/61/562822761.db2.gz	OSBOVHRDSFREOH-YOGXEWEVSA-N	0	0	566.603	2.653	1	0		KFAFRN
OC[C@H]1O[C@H](OC[C@H](COc2cccc3ccccc32)Oc2cccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000103269568	562822777	/nfs/dbraw/zinc/82/27/77/562822777.db2.gz	QXEPZQBRJBEFBB-GJDUQRDJSA-N	0	0	506.551	2.636	1	0		KFAFRN
OC[C@H]1O[C@H](OC[C@@H](COc2cccc3ccccc32)Oc2cccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000103269570	562822747	/nfs/dbraw/zinc/82/27/47/562822747.db2.gz	QXEPZQBRJBEFBB-XCVHUIILSA-N	0	0	506.551	2.636	1	0		KFAFRN
COc1ccc2ccc(OC[C@@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)Oc3ccc4ccc(OC)cc4c3)cc2c1	ZINC000103269572	562822799	/nfs/dbraw/zinc/82/27/99/562822799.db2.gz	DZVFPCOZZJGLGC-CKGIDNKHSA-N	0	0	566.603	2.653	1	0		KFAFRN
COc1ccc2ccc(OC[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)Oc3ccc4ccc(OC)cc4c3)cc2c1	ZINC000103269574	562822835	/nfs/dbraw/zinc/82/28/35/562822835.db2.gz	DZVFPCOZZJGLGC-BZTSACMPSA-N	0	0	566.603	2.653	1	0		KFAFRN
OC[C@H]1O[C@H](OC[C@H](COc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000103269578	562822800	/nfs/dbraw/zinc/82/28/00/562822800.db2.gz	NBDTZUYTNXHJOL-QJFVUISJSA-N	0	0	506.551	2.636	1	0		KFAFRN
OC[C@H]1O[C@H](OC[C@@H](COc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000103269579	562822790	/nfs/dbraw/zinc/82/27/90/562822790.db2.gz	NBDTZUYTNXHJOL-VUTJFYCQSA-N	0	0	506.551	2.636	1	0		KFAFRN
COc1ccc(CNC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CNC(=O)OCc2ccccc2)cc1	ZINC000103270684	562822963	/nfs/dbraw/zinc/82/29/63/562822963.db2.gz	LUFPEXHQLOEINR-VWLOTQADSA-N	0	0	505.571	2.974	1	0		KFAFRN
COc1ccc(CNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CNC(=O)OCc2ccccc2)cc1	ZINC000103270687	562822943	/nfs/dbraw/zinc/82/29/43/562822943.db2.gz	LUFPEXHQLOEINR-RUZDIDTESA-N	0	0	505.571	2.974	1	0		KFAFRN
CNC(=O)NC(=O)c1nn(-c2ccc(C(=O)NC(=O)NC)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1	ZINC000103274135	562823119	/nfs/dbraw/zinc/82/31/19/562823119.db2.gz	MQZBAMDZNIHJBW-UHFFFAOYSA-N	0	0	524.537	2.909	1	0		KFAFRN
Nc1nc2c(ncn2S(=O)(=O)c2ccccc2)c(NCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)n1	ZINC000103278416	562823296	/nfs/dbraw/zinc/82/32/96/562823296.db2.gz	BYADWMMKKSJFCX-UHFFFAOYSA-N	0	0	574.073	2.834	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc3ccccc3)N[C@@H](C)C(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000103279758	562823416	/nfs/dbraw/zinc/82/34/16/562823416.db2.gz	KMCDDPIIOJFYHR-LIOHBJMPSA-N	0	0	626.603	2.866	1	0		KFAFRN
Cc1cn([C@H]2C=C[C@@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)N[C@@H](C)C(=O)OCC(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000103279764	562823413	/nfs/dbraw/zinc/82/34/13/562823413.db2.gz	IIGUKYLRISIVGH-LWYYNNOASA-N	0	0	586.623	2.558	1	0		KFAFRN
Cc1c2cc(Cl)c(OC(=O)N(C)C)cc2oc(=O)c1Cc1cccc(NS(=O)(=O)NCCO)c1	ZINC000103283495	562823700	/nfs/dbraw/zinc/82/37/00/562823700.db2.gz	FDGNZRIUKVKUPL-UHFFFAOYSA-N	0	0	509.968	2.645	1	0		KFAFRN
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)c5ccccc5O)c(=S)n4N)cn1c32	ZINC000103285269	562823741	/nfs/dbraw/zinc/82/37/41/562823741.db2.gz	CDVIHKKUUXDOJE-MRXNPFEDSA-N	0	0	579.658	2.933	1	0		KFAFRN
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)c5ccccc5O)c(=S)n4N)cn1c32	ZINC000103285271	562823751	/nfs/dbraw/zinc/82/37/51/562823751.db2.gz	CDVIHKKUUXDOJE-INIZCTEOSA-N	0	0	579.658	2.933	1	0		KFAFRN
COC(=O)N(OC)c1ccccc1Cn1c(C)nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c1=O	ZINC000103288453	562823964	/nfs/dbraw/zinc/82/39/64/562823964.db2.gz	VRRPFWCTPXHDNX-UHFFFAOYSA-N	0	0	513.935	2.689	1	0		KFAFRN
CO/C=C(/C(=O)OC)c1ccccc1Cn1c(C)nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c1=O	ZINC000103290803	562824136	/nfs/dbraw/zinc/82/41/36/562824136.db2.gz	DNTWICAGAZKQSE-FOWTUZBSSA-N	0	0	524.958	2.715	1	0		KFAFRN
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(C)=NN(c1ccc(Br)cc1Br)C2=O	ZINC000103294296	562824402	/nfs/dbraw/zinc/82/44/02/562824402.db2.gz	AXEWLRDJCQDJCT-OAHLLOKOSA-N	0	0	503.176	2.633	1	0		KFAFRN
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(C)=NN(c1ccc(Br)cc1Br)C2=O	ZINC000103294298	562824375	/nfs/dbraw/zinc/82/43/75/562824375.db2.gz	AXEWLRDJCQDJCT-HNNXBMFYSA-N	0	0	503.176	2.633	1	0		KFAFRN
COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H](CC(N)=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)cc1	ZINC000103296697	562824572	/nfs/dbraw/zinc/82/45/72/562824572.db2.gz	HZDZRPCJPOESGW-ULUWBBDRSA-N	0	0	513.591	2.542	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc(O)cc(O)c34)nn2)CC1	ZINC000103297592	562824616	/nfs/dbraw/zinc/82/46/16/562824616.db2.gz	YGCGBZWVXWOBEC-UHFFFAOYSA-N	0	0	533.632	2.915	1	0		KFAFRN
CC(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000103299106	562824847	/nfs/dbraw/zinc/82/48/47/562824847.db2.gz	NMJHRWSMJUGXMN-QKDODKLFSA-N	0	0	566.699	2.997	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000103300906	562824987	/nfs/dbraw/zinc/82/49/87/562824987.db2.gz	UCNJIGNBIAWWDE-IRGGMKSGSA-N	0	0	603.780	2.600	1	0		KFAFRN
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4ccccc4)C(=O)NCc4ccccc4)cc3)cnc2n1	ZINC000105159990	562825156	/nfs/dbraw/zinc/82/51/56/562825156.db2.gz	SONGIFLSAHZQNN-SANMLTNESA-N	0	0	618.702	2.708	1	0		KFAFRN
C[C@H](OC(C)(C)C)[C@H](NC(=O)[C@H]([NH3+])CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000105525522	562825438	/nfs/dbraw/zinc/82/54/38/562825438.db2.gz	FGYNNLAYZOIOEC-PDGJWGCVSA-N	0	0	550.697	2.509	1	0		KFAFRN
C[C@H](OC(C)(C)C)[C@H](NC(=O)[C@@H]([NH3+])CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000105525525	562825429	/nfs/dbraw/zinc/82/54/29/562825429.db2.gz	FGYNNLAYZOIOEC-UVUJQTEASA-N	0	0	550.697	2.509	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCC(Cn2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)CC1	ZINC000112931436	562825498	/nfs/dbraw/zinc/82/54/98/562825498.db2.gz	AFOSBARSLLOYRV-UHFFFAOYSA-N	0	0	530.647	2.957	1	0		KFAFRN
CCc1nc(-c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)no1	ZINC000112939614	562825515	/nfs/dbraw/zinc/82/55/15/562825515.db2.gz	NAQKHXIOMDYOPS-UHFFFAOYSA-N	0	0	505.556	2.911	1	0		KFAFRN
O=C(c1nn([C@H]2CCCN(CCC(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112940604	562825583	/nfs/dbraw/zinc/82/55/83/562825583.db2.gz	UBWTUXFRFOVNSZ-INIZCTEOSA-N	0	0	512.554	2.899	1	0		KFAFRN
O=C(c1nn([C@@H]2CCCN(CCC(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112940608	562825595	/nfs/dbraw/zinc/82/55/95/562825595.db2.gz	UBWTUXFRFOVNSZ-MRXNPFEDSA-N	0	0	512.554	2.899	1	0		KFAFRN
CO[C@@H]1CCCN(C(=O)c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1	ZINC000112940645	562825537	/nfs/dbraw/zinc/82/55/37/562825537.db2.gz	BHJYMNQXMLXYJW-OAQYLSRUSA-N	0	0	550.637	2.550	1	0		KFAFRN
CO[C@H]1CCCN(C(=O)c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1	ZINC000112940648	562825598	/nfs/dbraw/zinc/82/55/98/562825598.db2.gz	BHJYMNQXMLXYJW-NRFANRHFSA-N	0	0	550.637	2.550	1	0		KFAFRN
O=C(c1nn(-c2cccc(CN3CC(F)(F)C3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112940946	562825739	/nfs/dbraw/zinc/82/57/39/562825739.db2.gz	WNZLZUPJEKQNRS-UHFFFAOYSA-N	0	0	514.554	2.750	1	0		KFAFRN
CO[C@@H]1CCN(Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1	ZINC000112941137	562825707	/nfs/dbraw/zinc/82/57/07/562825707.db2.gz	BORRMUVLRFHNSP-OAQYLSRUSA-N	0	0	522.627	2.520	1	0		KFAFRN
CO[C@H]1CCN(Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1	ZINC000112941138	562825700	/nfs/dbraw/zinc/82/57/00/562825700.db2.gz	BORRMUVLRFHNSP-NRFANRHFSA-N	0	0	522.627	2.520	1	0		KFAFRN
O=C(Nc1cccnc1)c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1	ZINC000112941147	562825742	/nfs/dbraw/zinc/82/57/42/562825742.db2.gz	TWYYRCNMQXRTJG-UHFFFAOYSA-N	0	0	529.578	2.946	1	0		KFAFRN
O=C(NC1CCCCC1)N1CC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1	ZINC000112941150	562825741	/nfs/dbraw/zinc/82/57/41/562825741.db2.gz	XQTHYNKOCLMRDN-IBGZPJMESA-N	0	0	527.647	2.599	1	0		KFAFRN
O=C(NC1CCCCC1)N1CC[C@@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1	ZINC000112941151	562825738	/nfs/dbraw/zinc/82/57/38/562825738.db2.gz	XQTHYNKOCLMRDN-LJQANCHMSA-N	0	0	527.647	2.599	1	0		KFAFRN
O=C(c1nn([C@H]2CCCN(CCN3CCCC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941237	562825675	/nfs/dbraw/zinc/82/56/75/562825675.db2.gz	OSLYEXGCLGGXQD-FQEVSTJZSA-N	0	0	563.671	2.678	1	0		KFAFRN
O=C(c1nn(-c2ccc(C(=O)N3CCCCC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941600	562825818	/nfs/dbraw/zinc/82/58/18/562825818.db2.gz	ILZWGSJNBKEAOZ-UHFFFAOYSA-N	0	0	520.611	2.925	1	0		KFAFRN
O=C(c1nn([C@H]2CCCN(Cc3cccnc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112941632	562825794	/nfs/dbraw/zinc/82/57/94/562825794.db2.gz	RNJXEBWYBBNUDN-FQEVSTJZSA-N	0	0	507.616	2.542	1	0		KFAFRN
O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1ccc(C(=O)N3CCCCC3)cc1-2)N1CCOCC1	ZINC000112941868	562825850	/nfs/dbraw/zinc/82/58/50/562825850.db2.gz	WXEOKGXYQWHRAK-UHFFFAOYSA-N	0	0	520.611	2.925	1	0		KFAFRN
O=C(c1nn(-c2cccc(OCCn3cccn3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942027	562825870	/nfs/dbraw/zinc/82/58/70/562825870.db2.gz	IDSGDFFNWNFILH-UHFFFAOYSA-N	0	0	519.583	2.575	1	0		KFAFRN
C[C@@H]1COCCN1Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1	ZINC000112942121	562825834	/nfs/dbraw/zinc/82/58/34/562825834.db2.gz	DTNRKAREUFEJOT-LJQANCHMSA-N	0	0	522.627	2.520	1	0		KFAFRN
C[C@H]1COCCN1Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1	ZINC000112942123	562825890	/nfs/dbraw/zinc/82/58/90/562825890.db2.gz	DTNRKAREUFEJOT-IBGZPJMESA-N	0	0	522.627	2.520	1	0		KFAFRN
COC1CCN(C(=O)c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)CC1	ZINC000112942148	562825841	/nfs/dbraw/zinc/82/58/41/562825841.db2.gz	YYGHWHOJQMMELF-UHFFFAOYSA-N	0	0	550.637	2.550	1	0		KFAFRN
O=C(c1nn([C@H]2CCCN(Cc3ccncc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942175	562825871	/nfs/dbraw/zinc/82/58/71/562825871.db2.gz	HGAJTKWPNZDTRJ-FQEVSTJZSA-N	0	0	507.616	2.542	1	0		KFAFRN
O=C(c1nn(-c2ccc(CN3CC(F)(F)C3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942196	562825941	/nfs/dbraw/zinc/82/59/41/562825941.db2.gz	BSRGPULLSTVXNM-UHFFFAOYSA-N	0	0	514.554	2.750	1	0		KFAFRN
O=C(c1nn(-c2cccc(OCCn3ccnc3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942415	562825911	/nfs/dbraw/zinc/82/59/11/562825911.db2.gz	DKBIFPXBCXSLNM-UHFFFAOYSA-N	0	0	519.583	2.575	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCC(n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)CC1	ZINC000112942441	562825951	/nfs/dbraw/zinc/82/59/51/562825951.db2.gz	MIFBYDPTRPDGOS-UHFFFAOYSA-N	0	0	516.620	2.882	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1	ZINC000112942819	562825964	/nfs/dbraw/zinc/82/59/64/562825964.db2.gz	ZZDVTGPPXMHGPM-KRWDZBQOSA-N	0	0	516.620	2.882	1	0		KFAFRN
CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1	ZINC000112942822	562826023	/nfs/dbraw/zinc/82/60/23/562826023.db2.gz	ZZDVTGPPXMHGPM-QGZVFWFLSA-N	0	0	516.620	2.882	1	0		KFAFRN
O=C(c1nn(-c2cccc(C(=O)N3CCCCC3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112942842	562826024	/nfs/dbraw/zinc/82/60/24/562826024.db2.gz	OOGFHRAURPOHAA-UHFFFAOYSA-N	0	0	520.611	2.925	1	0		KFAFRN
CCOc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(-c3ccc(CN4CCOCC4)cc3)c1-2	ZINC000112943238	562825965	/nfs/dbraw/zinc/82/59/65/562825965.db2.gz	KXYRGDRFYJGKRS-UHFFFAOYSA-N	0	0	552.653	2.530	1	0		KFAFRN
O=C(c1nn(-c2cccc(CN3CCSCC3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000112943307	562825991	/nfs/dbraw/zinc/82/59/91/562825991.db2.gz	CZAQUOYKQWEFOR-UHFFFAOYSA-N	0	0	524.668	2.848	1	0		KFAFRN
C[C@@H]1CN(Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)CCO1	ZINC000112943414	562826028	/nfs/dbraw/zinc/82/60/28/562826028.db2.gz	IXSNCCSCCZNQIN-LJQANCHMSA-N	0	0	522.627	2.520	1	0		KFAFRN
C[C@H]1CN(Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)CCO1	ZINC000112943416	562826089	/nfs/dbraw/zinc/82/60/89/562826089.db2.gz	IXSNCCSCCZNQIN-IBGZPJMESA-N	0	0	522.627	2.520	1	0		KFAFRN
C[C@@H]1CS(=O)(=O)CCN1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc([C@@](C)(O)C(F)(F)F)cc1	ZINC000112955604	562826072	/nfs/dbraw/zinc/82/60/72/562826072.db2.gz	KBCPDVCXFUERND-PIPMEXSNSA-N	0	0	581.704	2.516	1	0		KFAFRN
C[C@H]1CS(=O)(=O)CCN1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc([C@@](C)(O)C(F)(F)F)cc1	ZINC000112955606	562826094	/nfs/dbraw/zinc/82/60/94/562826094.db2.gz	KBCPDVCXFUERND-RBDMOPTHSA-N	0	0	581.704	2.516	1	0		KFAFRN
Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)cc2)CC1	ZINC000112969294	562826108	/nfs/dbraw/zinc/82/61/08/562826108.db2.gz	ABURWQHMGKKILS-UHFFFAOYSA-N	0	0	529.645	2.943	1	0		KFAFRN
CC(=O)N1CCC(Oc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1	ZINC000113075683	562826107	/nfs/dbraw/zinc/82/61/07/562826107.db2.gz	YLVJDHHMIYUHDZ-RUZDIDTESA-N	0	0	507.566	2.949	1	0		KFAFRN
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(NC(=O)CN3CCCCC3)cc2)C1	ZINC000113089685	562826184	/nfs/dbraw/zinc/82/61/84/562826184.db2.gz	ABPHCXTVPGUESI-XMMPIXPASA-N	0	0	506.582	2.984	1	0		KFAFRN
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OCCCN3CCOCC3)cc2)C1	ZINC000113090362	562826151	/nfs/dbraw/zinc/82/61/51/562826151.db2.gz	CSKAVWXOASZZNR-RUZDIDTESA-N	0	0	509.582	2.660	1	0		KFAFRN
CC(=O)N(C)[C@@H]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)C1	ZINC000113090431	562826180	/nfs/dbraw/zinc/82/61/80/562826180.db2.gz	GKAGKTHISRGFTG-PXDATVDWSA-N	0	0	506.582	2.616	1	0		KFAFRN
COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3[nH]cnc32)cc1F	ZINC000113148471	562826221	/nfs/dbraw/zinc/82/62/21/562826221.db2.gz	NHBVQLKBCSDILU-CQSZACIVSA-N	0	0	541.613	2.648	1	0		KFAFRN
COc1ccc(Nc2ncc(CN3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc3[nH]cnc32)cn1	ZINC000113154297	562826262	/nfs/dbraw/zinc/82/62/62/562826262.db2.gz	VNXDCPOBZLOOLP-UHFFFAOYSA-N	0	0	502.583	2.670	1	0		KFAFRN
COc1ccc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3[nH]cnc32)cn1	ZINC000113154462	562826288	/nfs/dbraw/zinc/82/62/88/562826288.db2.gz	OOZFZHMHOZDAGH-OAHLLOKOSA-N	0	0	523.623	2.509	1	0		KFAFRN
COc1ccc(Nc2ncc([C@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3[nH]cnc32)cn1	ZINC000113154465	562826242	/nfs/dbraw/zinc/82/62/42/562826242.db2.gz	OOZFZHMHOZDAGH-HNNXBMFYSA-N	0	0	523.623	2.509	1	0		KFAFRN
NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2c3ccc(N4CCS(=O)(=O)CC4)cc3[nH]c21	ZINC000113196947	562826308	/nfs/dbraw/zinc/82/63/08/562826308.db2.gz	KNNWKHUVACRAHK-UHFFFAOYSA-N	0	0	519.627	2.549	1	0		KFAFRN
COc1cc(-c2cc3c4cc(C(=O)N5CCO[C@@H](CO)C5)ccc4[nH]c3c(C(N)=O)c2)cc(OC)c1OC	ZINC000113202875	562826368	/nfs/dbraw/zinc/82/63/68/562826368.db2.gz	MPCSZZNNDWSNNH-GOSISDBHSA-N	0	0	519.554	2.946	1	0		KFAFRN
COc1cc(-c2cc3c4cc(C(=O)N5CCO[C@H](CO)C5)ccc4[nH]c3c(C(N)=O)c2)cc(OC)c1OC	ZINC000113202877	562826336	/nfs/dbraw/zinc/82/63/36/562826336.db2.gz	MPCSZZNNDWSNNH-SFHVURJKSA-N	0	0	519.554	2.946	1	0		KFAFRN
Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2Nc2ccc(Cl)nc2)n1	ZINC000113233629	562826351	/nfs/dbraw/zinc/82/63/51/562826351.db2.gz	ONMGCBGGUDMPHS-UONOGXRCSA-N	0	0	518.047	2.643	1	0		KFAFRN
Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2cc(F)c3cccnc3c2)n1	ZINC000113237834	562826360	/nfs/dbraw/zinc/82/63/60/562826360.db2.gz	PSGYXUGPTHQQNE-OAHLLOKOSA-N	0	0	537.625	2.893	1	0		KFAFRN
COc1ncc(Nc2ncc(CN3CCN(C(=O)N(C)C(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F	ZINC000113238040	562826356	/nfs/dbraw/zinc/82/63/56/562826356.db2.gz	GKJBCVKYWRHTBK-UHFFFAOYSA-N	0	0	524.605	2.688	1	0		KFAFRN
Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3scnc3c2)n1	ZINC000113239444	562826350	/nfs/dbraw/zinc/82/63/50/562826350.db2.gz	XPJZTRCSYBTVAZ-CQSZACIVSA-N	0	0	525.664	2.816	1	0		KFAFRN
Cc1nc(N)nc(-c2cc([C@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3scnc3c2)n1	ZINC000113239446	562826376	/nfs/dbraw/zinc/82/63/76/562826376.db2.gz	XPJZTRCSYBTVAZ-AWEZNQCLSA-N	0	0	525.664	2.816	1	0		KFAFRN
Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccc3cccnc3c2)n1	ZINC000113239729	562826388	/nfs/dbraw/zinc/82/63/88/562826388.db2.gz	JTXJFBYWIRSPBS-MRXNPFEDSA-N	0	0	519.635	2.754	1	0		KFAFRN
COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1C(C)C	ZINC000113241495	562826422	/nfs/dbraw/zinc/82/64/22/562826422.db2.gz	FMVGLLLBOOHZRW-MRXNPFEDSA-N	0	0	541.682	2.733	1	0		KFAFRN
COc1ncc(Nc2ncc(CN3CCN(C(=O)N(C)CC(F)(F)F)CC3)cc2-c2nc(C)nc(N)n2)cc1F	ZINC000113255847	562826400	/nfs/dbraw/zinc/82/64/00/562826400.db2.gz	SORWEBKDPVFLGQ-UHFFFAOYSA-N	0	0	564.548	2.842	1	0		KFAFRN
C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1NCc1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1	ZINC000113487776	562826565	/nfs/dbraw/zinc/82/65/65/562826565.db2.gz	MECBFPXGXXHSDY-CQSZACIVSA-N	0	0	528.532	2.649	1	0		KFAFRN
C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1NCc1ccccn1)c1ccc(CNS(C)(=O)=O)c(F)c1	ZINC000113487778	562826550	/nfs/dbraw/zinc/82/65/50/562826550.db2.gz	MECBFPXGXXHSDY-AWEZNQCLSA-N	0	0	528.532	2.649	1	0		KFAFRN
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CCOCCO)CC4)cn3)nc2n1C1CCCC1	ZINC000113524023	562826617	/nfs/dbraw/zinc/82/66/17/562826617.db2.gz	JPDFBVOEACJMHS-UHFFFAOYSA-N	0	0	522.654	2.518	1	0		KFAFRN
C[C@H](C(=O)[O-])[NH+]1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1	ZINC000113527142	562826611	/nfs/dbraw/zinc/82/66/11/562826611.db2.gz	ZBRMBWWZBMELPR-QGZVFWFLSA-N	0	0	506.611	2.982	1	0		KFAFRN
C[C@@H](C(=O)[O-])[NH+]1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1	ZINC000113527146	562826590	/nfs/dbraw/zinc/82/65/90/562826590.db2.gz	ZBRMBWWZBMELPR-KRWDZBQOSA-N	0	0	506.611	2.982	1	0		KFAFRN
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cn(C)nc5C)C4)c3C2)cc1C(F)(F)F	ZINC000113567696	562826587	/nfs/dbraw/zinc/82/65/87/562826587.db2.gz	VYWKJJXHISTGIE-INIZCTEOSA-N	0	0	517.512	2.797	1	0		KFAFRN
COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)C5CCN(C(C)=O)CC5)C4)c3C2)cc1C(F)(F)F	ZINC000113568474	562826632	/nfs/dbraw/zinc/82/66/32/562826632.db2.gz	KEEZOTQEGXGSEX-SFHVURJKSA-N	0	0	547.582	2.733	1	0		KFAFRN
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C(F)(F)F	ZINC000113568787	562826641	/nfs/dbraw/zinc/82/66/41/562826641.db2.gz	VKHGYVPRHIWYCB-KRWDZBQOSA-N	0	0	507.513	2.868	1	0		KFAFRN
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCN(C(C)=O)CC5)C4)c3C2)cc1C(F)(F)F	ZINC000113569464	562826668	/nfs/dbraw/zinc/82/66/68/562826668.db2.gz	UTPFCXCDOVQPRX-IBGZPJMESA-N	0	0	548.566	2.700	1	0		KFAFRN
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnccn5)C4)c3C2)cc1C(F)(F)F	ZINC000113586004	562826645	/nfs/dbraw/zinc/82/66/45/562826645.db2.gz	NRKXAOQXZJYBSM-HNNXBMFYSA-N	0	0	501.469	2.545	1	0		KFAFRN
O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@@]12CCN(S(=O)(=O)c1cccnc1Cl)C[C@@H]2O	ZINC000113634809	562826713	/nfs/dbraw/zinc/82/67/13/562826713.db2.gz	GVXGNEDHEKXWSX-QFBILLFUSA-N	0	0	505.902	2.812	1	0		KFAFRN
COc1ncc(N2CCc3ncnc(N[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C(F)(F)F	ZINC000113753801	562826714	/nfs/dbraw/zinc/82/67/14/562826714.db2.gz	PTFKBGVXOIXYQD-INIZCTEOSA-N	0	0	506.529	2.901	1	0		KFAFRN
COc1ccccc1-c1ccc2cnc(Nc3ccc([C@@H]4CCN(CC(N)=O)C[C@@H]4O)cc3OC)nn21	ZINC000114007109	562826898	/nfs/dbraw/zinc/82/68/98/562826898.db2.gz	XJBKVIGGAMJKLF-CVDCTZTESA-N	0	0	502.575	2.793	1	0		KFAFRN
COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OCCN1CCOCC1	ZINC000114020942	562826911	/nfs/dbraw/zinc/82/69/11/562826911.db2.gz	ZAXXYXWMMRHEGZ-UYAOXDASSA-N	0	0	522.602	2.928	1	0		KFAFRN
O=C(Nc1ccc(F)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl	ZINC000114685139	562828398	/nfs/dbraw/zinc/82/83/98/562828398.db2.gz	RWBHYJMVXPDSIT-KRWDZBQOSA-N	0	0	518.336	2.719	1	0		KFAFRN
C[C@@H](CO)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1	ZINC000114685212	562828409	/nfs/dbraw/zinc/82/84/09/562828409.db2.gz	YIFBLFLYDFILGQ-LRDDRELGSA-N	0	0	504.334	2.696	1	0		KFAFRN
C[C@H](CO)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1	ZINC000114685214	562828393	/nfs/dbraw/zinc/82/83/93/562828393.db2.gz	YIFBLFLYDFILGQ-WBMJQRKESA-N	0	0	504.334	2.696	1	0		KFAFRN
O=C(Nc1ccc(Cl)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1ccccc1Cl	ZINC000114688101	562828424	/nfs/dbraw/zinc/82/84/24/562828424.db2.gz	BGHITEUBRBJBOP-SFHVURJKSA-N	0	0	500.346	2.580	1	0		KFAFRN
Cn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1	ZINC000114810994	562828462	/nfs/dbraw/zinc/82/84/62/562828462.db2.gz	LUOUAHMSQWXRMY-FQRUVTKNSA-N	0	0	511.521	2.691	1	0		KFAFRN
Nc1nc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)n[nH]1	ZINC000114979774	562828620	/nfs/dbraw/zinc/82/86/20/562828620.db2.gz	YDMSLYDNNSQKRL-FQEVSTJZSA-N	0	0	503.028	2.706	1	0		KFAFRN
Nc1nc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)n[nH]1	ZINC000114979776	562828606	/nfs/dbraw/zinc/82/86/06/562828606.db2.gz	YDMSLYDNNSQKRL-HXUWFJFHSA-N	0	0	503.028	2.706	1	0		KFAFRN
CCOc1cc(C(C)(C)O)c2nn(CC(=O)c3cc(OCCCO)c(OC)c(C(C)(C)C)c3)c(=N)n2n1	ZINC000115496174	562828955	/nfs/dbraw/zinc/82/89/55/562828955.db2.gz	NGTRJEIOYAVUFZ-UHFFFAOYSA-N	0	0	515.611	2.587	1	0		KFAFRN
Cc1ccc(CNc2nc(-c3ccc(N4CCOCC4)c(S(C)(=O)=O)c3)cc3ncn(C)c(=O)c32)o1	ZINC000115624525	562828986	/nfs/dbraw/zinc/82/89/86/562828986.db2.gz	AUZIWHHZHCYGCN-UHFFFAOYSA-N	0	0	509.588	2.749	1	0		KFAFRN
COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1	ZINC000115984858	562829083	/nfs/dbraw/zinc/82/90/83/562829083.db2.gz	HFNJKUOZOOZOFD-YQVWRLOYSA-N	0	0	519.610	2.624	1	0		KFAFRN
COc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1	ZINC000115984860	562829104	/nfs/dbraw/zinc/82/91/04/562829104.db2.gz	HFNJKUOZOOZOFD-SCTDSRPQSA-N	0	0	519.610	2.624	1	0		KFAFRN
CN(C)c1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1	ZINC000115986699	562829072	/nfs/dbraw/zinc/82/90/72/562829072.db2.gz	FEKJWXDXAUYDQV-NLWGTHIKSA-N	0	0	532.653	2.682	1	0		KFAFRN
CN(C)c1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1	ZINC000115986701	562829069	/nfs/dbraw/zinc/82/90/69/562829069.db2.gz	FEKJWXDXAUYDQV-NSHGMRRFSA-N	0	0	532.653	2.682	1	0		KFAFRN
CC1(C)c2[nH]nc(Nc3nc(Cl)nc(N4CCC[C@H]4C(N)=O)n3)c2CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000115988704	562829154	/nfs/dbraw/zinc/82/91/54/562829154.db2.gz	WIOQQOCSMKRLGA-OIISXLGYSA-N	0	0	537.028	2.762	1	0		KFAFRN
CC1(C)c2[nH]nc(Nc3nc(Cl)nc(N4CCC[C@H]4C(N)=O)n3)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1	ZINC000115988706	562829181	/nfs/dbraw/zinc/82/91/81/562829181.db2.gz	WIOQQOCSMKRLGA-PVAVHDDUSA-N	0	0	537.028	2.762	1	0		KFAFRN
CC(C)COc1cccc([C@@H](NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c2ccccc2)c1	ZINC000116098661	562829259	/nfs/dbraw/zinc/82/92/59/562829259.db2.gz	VSSJDUZOVYGUOF-DEOSSOPVSA-N	0	0	501.605	2.645	1	0		KFAFRN
CC(C)COc1cccc([C@H](NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c2ccccc2)c1	ZINC000116098663	562829245	/nfs/dbraw/zinc/82/92/45/562829245.db2.gz	VSSJDUZOVYGUOF-XMMPIXPASA-N	0	0	501.605	2.645	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1	ZINC000116099228	562829269	/nfs/dbraw/zinc/82/92/69/562829269.db2.gz	AOKBSQFGXVICRJ-XMMPIXPASA-N	0	0	535.569	2.677	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1	ZINC000116099231	562829250	/nfs/dbraw/zinc/82/92/50/562829250.db2.gz	AOKBSQFGXVICRJ-DEOSSOPVSA-N	0	0	535.569	2.677	1	0		KFAFRN
O=c1ccn(CCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1	ZINC000116100185	562829253	/nfs/dbraw/zinc/82/92/53/562829253.db2.gz	ZZLIFGXHYVBOEQ-HSZRJFAPSA-N	0	0	505.543	2.703	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccccc2)c2cccc(OC(F)(F)C(F)F)c2)c(=O)[nH]1	ZINC000116100213	562829254	/nfs/dbraw/zinc/82/92/54/562829254.db2.gz	SGTLWHIKKSEPCB-FQEVSTJZSA-N	0	0	545.511	2.847	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@H](c2ccccc2)c2cccc(OC(F)(F)C(F)F)c2)c(=O)[nH]1	ZINC000116100214	562829266	/nfs/dbraw/zinc/82/92/66/562829266.db2.gz	SGTLWHIKKSEPCB-HXUWFJFHSA-N	0	0	545.511	2.847	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccccc2)c2cccc(OCC3CCC3)c2)c(=O)[nH]1	ZINC000116100241	562829258	/nfs/dbraw/zinc/82/92/58/562829258.db2.gz	FKSIFHFXPDPMSN-VWLOTQADSA-N	0	0	513.616	2.789	1	0		KFAFRN
O=c1ccn(COCCCS(=O)(=O)N[C@H](c2ccccc2)c2cccc(OCC3CCC3)c2)c(=O)[nH]1	ZINC000116100244	562829271	/nfs/dbraw/zinc/82/92/71/562829271.db2.gz	FKSIFHFXPDPMSN-RUZDIDTESA-N	0	0	513.616	2.789	1	0		KFAFRN
CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cc(Br)c(Br)s1	ZINC000116102461	562829272	/nfs/dbraw/zinc/82/92/72/562829272.db2.gz	KAFFUNHDAWVZMM-UHFFFAOYSA-N	0	0	545.275	2.635	1	0		KFAFRN
C[C@@H]1CN(C(=O)OC2(C(F)(F)F)COC2)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2F)cn1	ZINC000116204162	562829286	/nfs/dbraw/zinc/82/92/86/562829286.db2.gz	GHPSDAPCCXIXEV-CQSZACIVSA-N	0	0	548.515	2.577	1	0		KFAFRN
C[C@@H]1CN(C(=O)OC2(C(F)(F)F)COC2)CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1	ZINC000116204346	562829287	/nfs/dbraw/zinc/82/92/87/562829287.db2.gz	APOAEXWNXLHNHP-OAHLLOKOSA-N	0	0	562.542	2.718	1	0		KFAFRN
CC(C)(C[C@@](O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(N)(=O)=O	ZINC000116341817	562829358	/nfs/dbraw/zinc/82/93/58/562829358.db2.gz	NHDBZQPHSRUJIZ-FQEVSTJZSA-N	0	0	519.567	2.818	1	0		KFAFRN
CC(C)(C[C@](O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(N)(=O)=O	ZINC000116341821	562829392	/nfs/dbraw/zinc/82/93/92/562829392.db2.gz	NHDBZQPHSRUJIZ-HXUWFJFHSA-N	0	0	519.567	2.818	1	0		KFAFRN
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(-c5ccccn5)cccc4[C@@H]3O)c21	ZINC000116494865	562829432	/nfs/dbraw/zinc/82/94/32/562829432.db2.gz	SMMHAVDXISCRPS-SANMLTNESA-N	0	0	509.526	2.781	1	0		KFAFRN
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(-c5ccccn5)cccc4[C@H]3O)c21	ZINC000116494868	562829430	/nfs/dbraw/zinc/82/94/30/562829430.db2.gz	SMMHAVDXISCRPS-AREMUKBSSA-N	0	0	509.526	2.781	1	0		KFAFRN
COc1cnc(-c2cc(C(=O)NCCO)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c21	ZINC000116496273	562829411	/nfs/dbraw/zinc/82/94/11/562829411.db2.gz	LXHORBPJEFDIPQ-UHFFFAOYSA-N	0	0	565.590	2.513	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@H]3OCCO[C@H]3C2)cc1	ZINC000116521282	562829416	/nfs/dbraw/zinc/82/94/16/562829416.db2.gz	JRXDKTCILCAIFM-HKFGFSCZSA-N	0	0	576.712	2.987	1	0	in-vitro	KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OCCO[C@H]3C2)cc1	ZINC000116522216	562829418	/nfs/dbraw/zinc/82/94/18/562829418.db2.gz	JRXDKTCILCAIFM-XVYWXRPESA-N	0	0	576.712	2.987	1	0	in-vitro	KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OCO[C@H]3C2)cc1	ZINC000116522756	562829414	/nfs/dbraw/zinc/82/94/14/562829414.db2.gz	YKVBPHPKLLRHIO-KFRGZICISA-N	0	0	562.685	2.944	1	0		KFAFRN
COc1ccc(C(=O)NCc2noc(-c3nn(CCn4ccnc4)c4ccccc43)n2)c(OC)c1OC	ZINC000117047964	562829614	/nfs/dbraw/zinc/82/96/14/562829614.db2.gz	ZKGRFKHARJABQI-UHFFFAOYSA-N	0	0	503.519	2.939	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@H]3OCOCO[C@H]3C2)cc1	ZINC000117157769	562829669	/nfs/dbraw/zinc/82/96/69/562829669.db2.gz	DDTIHKFPDRADGZ-HKFGFSCZSA-N	0	0	592.711	2.918	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OCOCO[C@H]3C2)cc1	ZINC000117160940	562829702	/nfs/dbraw/zinc/82/97/02/562829702.db2.gz	DDTIHKFPDRADGZ-XVYWXRPESA-N	0	0	592.711	2.918	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@H]3OCO[C@H]3C2)cc1	ZINC000117164638	562829674	/nfs/dbraw/zinc/82/96/74/562829674.db2.gz	YKVBPHPKLLRHIO-ZNJORYLTSA-N	0	0	562.685	2.944	1	0		KFAFRN
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)N5CCOCC5)CC4)cn3)nc2n1C1CCCC1	ZINC000117725025	562829841	/nfs/dbraw/zinc/82/98/41/562829841.db2.gz	KOQPLGGYAJCOQR-UHFFFAOYSA-N	0	0	547.664	2.961	1	0		KFAFRN
CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@@H](O)CO)ccn43)c12	ZINC000117881488	562829919	/nfs/dbraw/zinc/82/99/19/562829919.db2.gz	GGGKCVZNBSKLMB-IBGZPJMESA-N	0	0	500.559	2.982	1	0		KFAFRN
CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@H](O)CO)ccn43)c12	ZINC000117881490	562829893	/nfs/dbraw/zinc/82/98/93/562829893.db2.gz	GGGKCVZNBSKLMB-LJQANCHMSA-N	0	0	500.559	2.982	1	0		KFAFRN
CCOC(=O)CCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118508025	562830313	/nfs/dbraw/zinc/83/03/13/562830313.db2.gz	ILLYBEMUOIIGFC-UHFFFAOYSA-N	0	0	521.039	2.876	1	0		KFAFRN
CCOC(=O)[C@@H](C)NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118520535	562830299	/nfs/dbraw/zinc/83/02/99/562830299.db2.gz	GJXXKHXVIMSBLS-QGZVFWFLSA-N	0	0	521.039	2.875	1	0		KFAFRN
CCOC(=O)[C@H](C)NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118520538	562830298	/nfs/dbraw/zinc/83/02/98/562830298.db2.gz	GJXXKHXVIMSBLS-KRWDZBQOSA-N	0	0	521.039	2.875	1	0		KFAFRN
CC(C)(O)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1	ZINC000118611807	562830442	/nfs/dbraw/zinc/83/04/42/562830442.db2.gz	BEUJHIQOEVGCIG-DNYRXFKRSA-N	0	0	543.686	2.663	1	0		KFAFRN
CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1CN(c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C(=O)C2	ZINC000118731074	562830542	/nfs/dbraw/zinc/83/05/42/562830542.db2.gz	BRQKQTKOGULFRA-GGAORHGYSA-N	0	0	587.685	2.619	1	0		KFAFRN
CC(C)[C@@H]1C[C@@H](O)O[C@H]([C@@H](C)[C@H]2CC(=O)[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000118919955	562830901	/nfs/dbraw/zinc/83/09/01/562830901.db2.gz	IRHVLQMEQPABHG-XMPOJZFOSA-N	0	0	508.696	2.503	1	0		KFAFRN
CC(C)[C@@H]1C[C@H](O)O[C@H]([C@@H](C)[C@H]2CC(=O)[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000118919956	562830896	/nfs/dbraw/zinc/83/08/96/562830896.db2.gz	IRHVLQMEQPABHG-XCUYPTFISA-N	0	0	508.696	2.503	1	0		KFAFRN
CC(C)[C@@H]1C[C@@H](O)O[C@H]([C@H](C)[C@H]2CC(=O)[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000118919957	562830892	/nfs/dbraw/zinc/83/08/92/562830892.db2.gz	IRHVLQMEQPABHG-PQESLEHVSA-N	0	0	508.696	2.503	1	0		KFAFRN
CC(C)[C@@H]1C[C@H](O)O[C@H]([C@H](C)[C@H]2CC(=O)[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000118919958	562830899	/nfs/dbraw/zinc/83/08/99/562830899.db2.gz	IRHVLQMEQPABHG-PTRANYDISA-N	0	0	508.696	2.503	1	0		KFAFRN
C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]12CC[C@@H](C)CO2	ZINC000118937068	571846697	/nfs/dbraw/zinc/84/66/97/571846697.db2.gz	NVCUAFIUMZCPGV-MQDZUETNSA-N	0	0	592.770	2.797	1	0	endogenous,in-man	KFAFRN
C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]12CC[C@@H](C)CO2	ZINC000118937069	571846714	/nfs/dbraw/zinc/84/67/14/571846714.db2.gz	NVCUAFIUMZCPGV-BNVIWLLNSA-N	0	0	592.770	2.797	1	0	endogenous,in-man	KFAFRN
C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]12CC[C@@H](C)CO2	ZINC000118937070	571846527	/nfs/dbraw/zinc/84/65/27/571846527.db2.gz	NVCUAFIUMZCPGV-FPNYFYPJSA-N	0	0	592.770	2.797	1	0	endogenous,in-man	KFAFRN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]12CC[C@@H](C)CO2	ZINC000118937071	571846630	/nfs/dbraw/zinc/84/66/30/571846630.db2.gz	NVCUAFIUMZCPGV-ZETRNJNLSA-N	0	0	592.770	2.797	1	0	endogenous,in-man	KFAFRN
COC(=O)[C@H](Cc1c2ccccc2[nH]c1[C@@H]1Nc2ccccc2[C@@H]1C[C@H](NC(C)=O)C(=O)OC)NC(C)=O	ZINC000135712276	562831056	/nfs/dbraw/zinc/83/10/56/562831056.db2.gz	RBUVMSBPJUMUHG-YUSVDLJSSA-N	0	0	520.586	2.706	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(N(C)C)cc1	ZINC000135715723	562831055	/nfs/dbraw/zinc/83/10/55/562831055.db2.gz	YQCYRPDLRYOZFV-SDHOMARFSA-N	0	0	540.661	2.707	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cccc(C(F)(F)F)c1	ZINC000135965817	562831094	/nfs/dbraw/zinc/83/10/94/562831094.db2.gz	ZVZJCSUGWFZOLS-ZTLKYHCGSA-N	0	0	533.396	2.672	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cccc(C(F)(F)F)c1	ZINC000135965852	562831091	/nfs/dbraw/zinc/83/10/91/562831091.db2.gz	ZVZJCSUGWFZOLS-DRZICCCMSA-N	0	0	533.396	2.672	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1cccc(C(F)(F)F)c1	ZINC000135965887	562831105	/nfs/dbraw/zinc/83/11/05/562831105.db2.gz	ZVZJCSUGWFZOLS-JDYOYPLPSA-N	0	0	533.396	2.672	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(OC(F)(F)F)cc1	ZINC000136821181	562831287	/nfs/dbraw/zinc/83/12/87/562831287.db2.gz	ZDJPOVRGJJAEJA-LPYXNPSASA-N	0	0	549.395	2.552	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Cl)c(Cl)c1	ZINC000136821250	562831284	/nfs/dbraw/zinc/83/12/84/562831284.db2.gz	FFACNCWENNRSEM-RYYIHEFYSA-N	0	0	534.289	2.960	1	0		KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C(F)(F)F)cc1	ZINC000136821326	562831291	/nfs/dbraw/zinc/83/12/91/562831291.db2.gz	XSTNINKZHITLOZ-ZTLKYHCGSA-N	0	0	533.396	2.672	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(O)cc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000136929410	562831310	/nfs/dbraw/zinc/83/13/10/562831310.db2.gz	HLIMQGXRKFZYHK-UIPNDDLNSA-N	0	0	578.684	2.507	1	0		KFAFRN
CNC(=O)c1scc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c21	ZINC000137016090	562831305	/nfs/dbraw/zinc/83/13/05/562831305.db2.gz	HXDRHIVZXXJJCF-UHFFFAOYSA-N	0	0	531.015	2.895	1	0		KFAFRN
CCC[C@@H](CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CCO)N(C)C(=O)[C@]2(C)CSC(=N2)[C@H](C)NC(=O)C1(C)C)OC	ZINC000137476517	562831485	/nfs/dbraw/zinc/83/14/85/562831485.db2.gz	YPKOTXFXOPMNCS-LCNRRXELSA-N	0	0	626.861	2.928	1	0		KFAFRN
C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CO)ncnc2Nc1ccc(Br)cc1F	ZINC000137904510	562831680	/nfs/dbraw/zinc/83/16/80/562831680.db2.gz	AVWUQSBIDMSXKK-UHFFFAOYSA-N	0	0	504.316	2.887	1	0		KFAFRN
C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CS(C)(=O)=O)ncnc2Nc1ccc(Br)cc1F	ZINC000137904734	562831660	/nfs/dbraw/zinc/83/16/60/562831660.db2.gz	UNFSZGKSDKZSHK-UHFFFAOYSA-N	0	0	566.409	2.939	1	0		KFAFRN
CC[C@H](C)[C@H](COC(=O)C(C)(C)C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000137961343	562831722	/nfs/dbraw/zinc/83/17/22/562831722.db2.gz	CYDMOTSLXRZHDE-SERVGDNUSA-N	0	0	596.618	2.632	1	0		KFAFRN
CCCCOC(=O)/C=C/[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000138100828	562831715	/nfs/dbraw/zinc/83/17/15/562831715.db2.gz	PFDSSWKUZGXBGB-AKRBOGBRSA-N	0	0	580.759	2.845	1	0		KFAFRN
CC(C)COC(=O)/C=C/[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000138101910	562831709	/nfs/dbraw/zinc/83/17/09/562831709.db2.gz	MJRMXGQKHJYVLK-DPJPDSSQSA-N	0	0	580.759	2.701	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(OC(F)(F)F)cc1	ZINC000138143764	562831742	/nfs/dbraw/zinc/83/17/42/562831742.db2.gz	ZDJPOVRGJJAEJA-SYGSCPPASA-N	0	0	549.395	2.552	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(OC(F)(F)F)cc1	ZINC000138143879	562831769	/nfs/dbraw/zinc/83/17/69/562831769.db2.gz	ZDJPOVRGJJAEJA-NMIOYHGFSA-N	0	0	549.395	2.552	1	0		KFAFRN
O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]12	ZINC000138374289	562831893	/nfs/dbraw/zinc/83/18/93/562831893.db2.gz	GIZJWWQFOGQPRY-KRCBVYEFSA-N	0	0	577.685	2.655	1	0		KFAFRN
COc1cc(C(=O)NC[C@H](O)CO)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1	ZINC000138495536	562831947	/nfs/dbraw/zinc/83/19/47/562831947.db2.gz	SUEXPSBUKYBPAN-ZDUSSCGKSA-N	0	0	565.480	2.848	1	0		KFAFRN
CCn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCOCC4)CC3)cc2)CC1	ZINC000138537356	562832022	/nfs/dbraw/zinc/83/20/22/562832022.db2.gz	OGPSMHXWWRBXJY-UHFFFAOYSA-N	0	0	522.650	2.573	1	0		KFAFRN
CCCCOP(=O)(N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(N)=[NH2+])cc2)=NO1)C(=O)[O-])OCCCC	ZINC000138814676	562832221	/nfs/dbraw/zinc/83/22/21/562832221.db2.gz	HYGDDAZDWVFISI-QUCCMNQESA-N	0	0	525.543	2.754	1	0		KFAFRN
CCCCOP(=O)(N[C@H](CNC(=O)C[C@H]1CC(c2ccc(C(N)=[NH2+])cc2)=NO1)C(=O)[O-])OCCCC	ZINC000138814814	562832218	/nfs/dbraw/zinc/83/22/18/562832218.db2.gz	HYGDDAZDWVFISI-UYAOXDASSA-N	0	0	525.543	2.754	1	0		KFAFRN
COCC(=O)NCc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F	ZINC000139010432	562832315	/nfs/dbraw/zinc/83/23/15/562832315.db2.gz	INEIVDFDZVKVFY-ROUUACIJSA-N	0	0	524.597	2.544	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Cl)c(Cl)c1	ZINC000139068345	562832343	/nfs/dbraw/zinc/83/23/43/562832343.db2.gz	FFACNCWENNRSEM-CRMXWMLOSA-N	0	0	534.289	2.960	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Cl)c(Cl)c1	ZINC000139068439	562832322	/nfs/dbraw/zinc/83/23/22/562832322.db2.gz	FFACNCWENNRSEM-OAMKKEADSA-N	0	0	534.289	2.960	1	0		KFAFRN
COc1ccc(-c2ccc3c(n2)nc(N2CCC(N4CCOCC4)CC2)nc3N2CCOC[C@@H]2C)cc1CO	ZINC000139113324	562832348	/nfs/dbraw/zinc/83/23/48/562832348.db2.gz	YDJBNFWAROJUTM-FQEVSTJZSA-N	0	0	534.661	2.719	1	0		KFAFRN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000139115273	562832336	/nfs/dbraw/zinc/83/23/36/562832336.db2.gz	QHTZNDYCQGKEKZ-KTJAGOFCSA-N	0	0	592.770	2.797	1	0		KFAFRN
COCCN(C)C(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1	ZINC000139426861	562832450	/nfs/dbraw/zinc/83/24/50/562832450.db2.gz	HGXCSKULYCOCBJ-PMACEKPBSA-N	0	0	520.634	2.860	1	0		KFAFRN
CON(C)C(=O)c1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F	ZINC000139436749	562832494	/nfs/dbraw/zinc/83/24/94/562832494.db2.gz	DWIOFOXDDPIFQK-IRXDYDNUSA-N	0	0	510.570	2.915	1	0		KFAFRN
COCC[NH2+]Cc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1OC	ZINC000139438607	562832464	/nfs/dbraw/zinc/83/24/64/562832464.db2.gz	WBAJWBQIVKLKMN-PMACEKPBSA-N	0	0	522.650	2.887	1	0		KFAFRN
C[C@H]1COCCN1c1nc2nc(-c3cccc(C(=O)N4CCN(C)CC4)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000139482888	562832532	/nfs/dbraw/zinc/83/25/32/562832532.db2.gz	FKYRPQKPBWGMPR-SFTDATJTSA-N	0	0	531.661	2.530	1	0		KFAFRN
O=C1OCc2c1ccc([C@@H](O)CN1CCN(C[C@@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl	ZINC000139510417	562832556	/nfs/dbraw/zinc/83/25/56/562832556.db2.gz	ZEIVTTLAZGQRRE-BGYRXZFFSA-N	0	0	507.370	2.719	1	0		KFAFRN
O=C1OCc2c1ccc([C@@H](O)CN1CCN(C[C@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl	ZINC000139510554	562832537	/nfs/dbraw/zinc/83/25/37/562832537.db2.gz	ZEIVTTLAZGQRRE-PMACEKPBSA-N	0	0	507.370	2.719	1	0		KFAFRN
O=C1OCc2c1ccc([C@H](O)CN1CCN(C[C@@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl	ZINC000139510689	562832534	/nfs/dbraw/zinc/83/25/34/562832534.db2.gz	ZEIVTTLAZGQRRE-WOJBJXKFSA-N	0	0	507.370	2.719	1	0		KFAFRN
COCCNC(=O)c1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1	ZINC000139555773	562832588	/nfs/dbraw/zinc/83/25/88/562832588.db2.gz	MAJSWWGKAQQBGE-OALUTQOASA-N	0	0	506.607	2.518	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C(F)(F)F)cc1	ZINC000139647266	562832678	/nfs/dbraw/zinc/83/26/78/562832678.db2.gz	XSTNINKZHITLOZ-DRZICCCMSA-N	0	0	533.396	2.672	1	0		KFAFRN
COC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C(F)(F)F)cc1	ZINC000139647391	562832679	/nfs/dbraw/zinc/83/26/79/562832679.db2.gz	XSTNINKZHITLOZ-JDYOYPLPSA-N	0	0	533.396	2.672	1	0		KFAFRN
C[C@H]1COCCN1c1nc2nc(-c3cccc(N(C)S(C)(=O)=O)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000139671999	562832719	/nfs/dbraw/zinc/83/27/19/562832719.db2.gz	AWZWPELECDCGDJ-ROUUACIJSA-N	0	0	512.636	2.538	1	0		KFAFRN
NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000139717526	562832730	/nfs/dbraw/zinc/83/27/30/562832730.db2.gz	ALMCJLSDCHRPPQ-SYZXBLONSA-N	0	0	515.961	2.794	1	0		KFAFRN
COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCN(C)CC3)nc2N)cc1I	ZINC000139751935	562832733	/nfs/dbraw/zinc/83/27/33/562832733.db2.gz	XFAJTGCAWQIQGT-UHFFFAOYSA-N	0	0	540.406	2.774	1	0		KFAFRN
COCC[NH2+]CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1	ZINC000139800349	562832779	/nfs/dbraw/zinc/83/27/79/562832779.db2.gz	ZSSIWXBGJUEGKD-UHFFFAOYSA-N	0	0	515.352	2.762	1	0		KFAFRN
COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCOCC3)nc2N)cc1I	ZINC000139800656	562832798	/nfs/dbraw/zinc/83/27/98/562832798.db2.gz	QXMUXQVDPOTHAR-UHFFFAOYSA-N	0	0	527.363	2.858	1	0		KFAFRN
COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OC[C@H](OC(=O)CN)C1CC1	ZINC000140513322	562833140	/nfs/dbraw/zinc/83/31/40/562833140.db2.gz	HYRCQIXSSGWOSA-QHCPKHFHSA-N	0	0	509.950	2.869	1	0		KFAFRN
CCS(=O)(=O)C[C@@H](O)COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC	ZINC000140514071	562833107	/nfs/dbraw/zinc/83/31/07/562833107.db2.gz	PVKJIGKULXILOD-FQEVSTJZSA-N	0	0	517.991	2.989	1	0		KFAFRN
COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC1(OC(=O)CN)CC(F)(F)C1	ZINC000140525913	562833127	/nfs/dbraw/zinc/83/31/27/562833127.db2.gz	AUQRFWBUYHMBIP-UHFFFAOYSA-N	0	0	546.918	2.653	1	0		KFAFRN
C[C@@H]1CN(CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1	ZINC000140546489	562833186	/nfs/dbraw/zinc/83/31/86/562833186.db2.gz	PJIHPWDQNLPHQA-UZUQRXQVSA-N	0	0	525.593	2.982	1	0		KFAFRN
COc1ccc(C(S[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ccc(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000140600074	562833168	/nfs/dbraw/zinc/83/31/68/562833168.db2.gz	BXSAVHWCMLTUKC-YULOIDQLSA-N	0	0	562.644	2.898	1	0		KFAFRN
CCN(C)C(=O)c1ccc(CNc2nc(N3CCN(C)CC3)nc(N3CCc4ccccc4C3)n2)cc1	ZINC000140872800	562833323	/nfs/dbraw/zinc/83/33/23/562833323.db2.gz	VFSVPMSJAJZZHP-UHFFFAOYSA-N	0	0	500.651	2.890	1	0		KFAFRN
CCN(C)C(=O)c1ccc(CNc2nc(N3CCN(C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1	ZINC000140895597	562833320	/nfs/dbraw/zinc/83/33/20/562833320.db2.gz	TWBAAPGODFMHCM-UHFFFAOYSA-N	0	0	560.703	2.907	1	0		KFAFRN
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cc(OC)c(OC)c(OC)c1	ZINC000140941237	562833441	/nfs/dbraw/zinc/83/34/41/562833441.db2.gz	CLBKCGOYQYVDNB-VABKMULXSA-N	0	0	587.670	2.667	1	0		KFAFRN
O[C@@H]1CS[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H]1O	ZINC000140941699	562833409	/nfs/dbraw/zinc/83/34/09/562833409.db2.gz	QMJFSSNSVVHFPD-IFUGULHKSA-N	0	0	503.753	2.664	1	0		KFAFRN
CC(C)[C@H]1CN(CCN2CCOCC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1	ZINC000141222499	562833524	/nfs/dbraw/zinc/83/35/24/562833524.db2.gz	YOKDUZZFACVWPI-JOCHJYFZSA-N	0	0	501.595	2.780	1	0		KFAFRN
COc1ncc(C(=O)NC2(C(=O)N[C@@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5nnn(C)n5)cnc43)CC2)cn1	ZINC000142225690	562834071	/nfs/dbraw/zinc/83/40/71/562834071.db2.gz	MNSIVJGXSIVXGB-LJQANCHMSA-N	0	0	563.981	2.596	1	0		KFAFRN
COc1ncc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5nnn(C)n5)cnc43)CC2)cn1	ZINC000142225870	562834075	/nfs/dbraw/zinc/83/40/75/562834075.db2.gz	MNSIVJGXSIVXGB-IBGZPJMESA-N	0	0	563.981	2.596	1	0		KFAFRN
Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)n1	ZINC000142248552	562834048	/nfs/dbraw/zinc/83/40/48/562834048.db2.gz	QNVIMPQAFIYICG-QGZVFWFLSA-N	0	0	522.928	2.786	1	0		KFAFRN
Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)n1	ZINC000142248776	562834066	/nfs/dbraw/zinc/83/40/66/562834066.db2.gz	QNVIMPQAFIYICG-KRWDZBQOSA-N	0	0	522.928	2.786	1	0		KFAFRN
COc1cc(C(=O)NC2(C(=O)N[C@@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5nnn(C)n5)cnc43)CC2)on1	ZINC000142249616	562834073	/nfs/dbraw/zinc/83/40/73/562834073.db2.gz	MIJKUFVQFDMZAW-QGZVFWFLSA-N	0	0	552.954	2.794	1	0		KFAFRN
COc1cc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5nnn(C)n5)cnc43)CC2)on1	ZINC000142249825	562834074	/nfs/dbraw/zinc/83/40/74/562834074.db2.gz	MIJKUFVQFDMZAW-KRWDZBQOSA-N	0	0	552.954	2.794	1	0		KFAFRN
CS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)CC1	ZINC000142358264	562834179	/nfs/dbraw/zinc/83/41/79/562834179.db2.gz	ZOYUSAAKEVEVLB-UHFFFAOYSA-N	0	0	506.592	2.579	1	0		KFAFRN
CN(Cc1cccc(-c2cnc(N3CCN(c4ncc(/C=C/C(=O)[O-])cc4Cl)CC3)nc2)c1)C(=O)C[NH3+]	ZINC000142978278	562834431	/nfs/dbraw/zinc/83/44/31/562834431.db2.gz	YXCRNARDXLZNKT-AATRIKPKSA-N	0	0	522.009	2.534	1	0		KFAFRN
C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H](CO)N(C)C)ncnc2Nc1ccc(Br)cc1F	ZINC000143153801	562834678	/nfs/dbraw/zinc/83/46/78/562834678.db2.gz	GNZCXFIXXQWSSZ-FQEVSTJZSA-N	0	0	561.412	2.817	1	0		KFAFRN
C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H](CO)N(C)C)ncnc2Nc1ccc(Br)cc1F	ZINC000143154021	562834660	/nfs/dbraw/zinc/83/46/60/562834660.db2.gz	GNZCXFIXXQWSSZ-HXUWFJFHSA-N	0	0	561.412	2.817	1	0		KFAFRN
COCC(=O)N(C)Cc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1	ZINC000143252724	562834861	/nfs/dbraw/zinc/83/48/61/562834861.db2.gz	HYGSGMPPPCUXCU-PMACEKPBSA-N	0	0	520.634	2.747	1	0		KFAFRN
C[C@H]1COCCN1c1nc2nc(-c3cccc(C(=O)N4CCC[C@@H](O)C4)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000143274788	562834871	/nfs/dbraw/zinc/83/48/71/562834871.db2.gz	CYQBMKNJDPDHKK-SXWKCWPCSA-N	0	0	532.645	2.739	1	0		KFAFRN
C[C@H]1COCCN1c1nc2nc(-c3cccc(CN(C)S(C)(=O)=O)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000143295899	562834897	/nfs/dbraw/zinc/83/48/97/562834897.db2.gz	ZVTZFXOYYMQYSE-OALUTQOASA-N	0	0	526.663	2.533	1	0		KFAFRN
CC(C)(C)c1ccc2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5cnccn5)n4)c3CO)c2=O)c1	ZINC000143362932	562834942	/nfs/dbraw/zinc/83/49/42/562834942.db2.gz	MYHFIQXCSJMQSP-UHFFFAOYSA-N	0	0	510.558	2.994	1	0		KFAFRN
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c5ccc([C@@H](O)CO)nc54)c3CO)c2=O)c1	ZINC000143546845	562835146	/nfs/dbraw/zinc/83/51/46/562835146.db2.gz	JDMVSAWQXPAAIW-DEOSSOPVSA-N	0	0	545.571	2.778	1	0		KFAFRN
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c5ccc([C@H](O)CO)nc54)c3CO)c2=O)c1	ZINC000143547062	562835139	/nfs/dbraw/zinc/83/51/39/562835139.db2.gz	JDMVSAWQXPAAIW-XMMPIXPASA-N	0	0	545.571	2.778	1	0		KFAFRN
CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c5ccc(N6CCS(=O)(=O)CC6)nc54)c3CO)c2=O)c1	ZINC000143574832	562835184	/nfs/dbraw/zinc/83/51/84/562835184.db2.gz	QRECCRCPSDYLRH-UHFFFAOYSA-N	0	0	618.691	2.987	1	0		KFAFRN
C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(NS(C)(=O)=O)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000143743227	562835284	/nfs/dbraw/zinc/83/52/84/562835284.db2.gz	LLGOOPAYPZWRGF-HOTGVXAUSA-N	0	0	516.599	2.653	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])co1	ZINC000143810423	562835305	/nfs/dbraw/zinc/83/53/05/562835305.db2.gz	QAEFCKZEIVCTGO-HYVJGQCMSA-N	0	0	562.627	2.869	1	0		KFAFRN
O=C([O-])[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[N@@H+]1Cc1c[nH]nc1-c1ccc2c(c1)CNC(=O)O2	ZINC000143831512	562835336	/nfs/dbraw/zinc/83/53/36/562835336.db2.gz	RJIKKTBZWICVET-KRWDZBQOSA-N	0	0	502.453	2.868	1	0		KFAFRN
C[C@]12C[C@H]1N(C(=O)Cn1nc(C(N)=O)c3ccncc31)[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1F)C2	ZINC000143837641	562835306	/nfs/dbraw/zinc/83/53/06/562835306.db2.gz	AHMZTYZRRYGZBZ-IATAILRESA-N	0	0	520.443	2.586	1	0		KFAFRN
Cc1cc2c(cn1)c(C(N)=O)nn2CC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F	ZINC000143866289	562835308	/nfs/dbraw/zinc/83/53/08/562835308.db2.gz	VZHVEBXTGDORAE-XFJVYGCCSA-N	0	0	520.443	2.504	1	0		KFAFRN
CCS(=O)(=O)N(C)Cc1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1	ZINC000143878255	562835369	/nfs/dbraw/zinc/83/53/69/562835369.db2.gz	ABJKKLPYCQAHCN-PMACEKPBSA-N	0	0	540.690	2.924	1	0		KFAFRN
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3ccccc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000143878769	562835360	/nfs/dbraw/zinc/83/53/60/562835360.db2.gz	PBEQKRKKRLBAPC-PDIWNELESA-N	0	0	504.921	2.912	1	0		KFAFRN
Cc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c2c(C)n1	ZINC000143880584	562835379	/nfs/dbraw/zinc/83/53/79/562835379.db2.gz	VYGODRPBPFEHDH-VOQHCJDSSA-N	0	0	512.973	2.806	1	0		KFAFRN
NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Br)c2F)c2ccccc12	ZINC000143881244	562835368	/nfs/dbraw/zinc/83/53/68/562835368.db2.gz	UMTHUAPCZIMDQV-KUHUBIRLSA-N	0	0	519.346	2.897	1	0		KFAFRN
CCc1cc2c(cn1)n(CC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F)nc2C(N)=O	ZINC000143883535	562835375	/nfs/dbraw/zinc/83/53/75/562835375.db2.gz	LCSHEFYJWRIFTJ-LYRGGWFBSA-N	0	0	534.470	2.758	1	0		KFAFRN
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)c2F)c2ccccc21	ZINC000143883961	562835366	/nfs/dbraw/zinc/83/53/66/562835366.db2.gz	CBUWZKCTGVDHDO-LQAWEQHXSA-N	0	0	500.328	2.665	1	0		KFAFRN
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccncc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000143898550	562835364	/nfs/dbraw/zinc/83/53/64/562835364.db2.gz	DCFWRISDZHGYOR-OFAXGOBFSA-N	0	0	504.921	2.912	1	0		KFAFRN
Cc1nccc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(OC(F)(F)F)c3F)c21	ZINC000143901922	562835400	/nfs/dbraw/zinc/83/54/00/562835400.db2.gz	SVLMXKGPPBDZKX-DFBGVHRSSA-N	0	0	520.443	2.504	1	0		KFAFRN
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnc(C3CC3)cc21	ZINC000143912844	562835422	/nfs/dbraw/zinc/83/54/22/562835422.db2.gz	YLEQJKQACVXZGC-ZMYBRWDISA-N	0	0	510.957	2.506	1	0		KFAFRN
Cc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(OC(F)(F)F)c3F)c2c(C)n1	ZINC000143949039	562835439	/nfs/dbraw/zinc/83/54/39/562835439.db2.gz	MTZUVKOMEBLTJP-WQVCFCJDSA-N	0	0	534.470	2.813	1	0		KFAFRN
COc1ccc2c(C(N)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1	ZINC000143975437	562835544	/nfs/dbraw/zinc/83/55/44/562835544.db2.gz	KYBVYBRCNCXRSL-VLIAUNLRSA-N	0	0	504.921	2.797	1	0		KFAFRN
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(Cl)ccc21	ZINC000143983006	562835562	/nfs/dbraw/zinc/83/55/62/562835562.db2.gz	ZWWWLCMNMOHYFL-YVLXSGLVSA-N	0	0	517.771	2.574	1	0		KFAFRN
Cc1cccnc1-c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc32)c1F	ZINC000143988859	562835549	/nfs/dbraw/zinc/83/55/49/562835549.db2.gz	FUVNWNPQHQEHSE-YSGRDPCXSA-N	0	0	513.533	2.668	1	0		KFAFRN
CCc1cc2c(cn1)n(CC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)Nc1cccc(Br)c1F)nc2C(N)=O	ZINC000143990151	562835553	/nfs/dbraw/zinc/83/55/53/562835553.db2.gz	VKWXXYDAKDISIM-LQAWEQHXSA-N	0	0	529.370	2.622	1	0		KFAFRN
CCc1cc2c(cn1)n(CC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F)nc2C(N)=O	ZINC000144038011	562835656	/nfs/dbraw/zinc/83/56/56/562835656.db2.gz	MQGOOXUAJFSWHO-ABAIWWIYSA-N	0	0	540.449	2.708	1	0		KFAFRN
COc1ccc2c(c1)c(C(N)=O)cn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000144042518	562835641	/nfs/dbraw/zinc/83/56/41/562835641.db2.gz	HHKADYMNGGCQIY-VLIAUNLRSA-N	0	0	504.921	2.797	1	0		KFAFRN
CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCN6CCNC6=O)ccn5)n4)ccc3[nH]2)CC1	ZINC000144198277	562835902	/nfs/dbraw/zinc/83/59/02/562835902.db2.gz	XFLUUOYPBDAZCW-UHFFFAOYSA-N	0	0	541.616	2.555	1	0		KFAFRN
CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCOCCO)ccn5)n4)ccc3[nH]2)CC1	ZINC000144198525	562835904	/nfs/dbraw/zinc/83/59/04/562835904.db2.gz	OJDCSZOVTZAABG-UHFFFAOYSA-N	0	0	517.590	2.539	1	0		KFAFRN
CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H]6CNC(=O)C6)ccn5)n4)ccc3[nH]2)CC1	ZINC000144199177	562835900	/nfs/dbraw/zinc/83/59/00/562835900.db2.gz	OQEXNWYVIOJSRG-SFHVURJKSA-N	0	0	526.601	2.666	1	0		KFAFRN
CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H]6CNC(=O)C6)ccn5)n4)ccc3[nH]2)CC1	ZINC000144199381	562835861	/nfs/dbraw/zinc/83/58/61/562835861.db2.gz	OQEXNWYVIOJSRG-GOSISDBHSA-N	0	0	526.601	2.666	1	0		KFAFRN
CN(C)C(=O)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1	ZINC000144200029	562835867	/nfs/dbraw/zinc/83/58/67/562835867.db2.gz	MAXHYWSPCHIBBS-UHFFFAOYSA-N	0	0	514.590	2.618	1	0		KFAFRN
CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCN6CCOCC6)ccn5)n4)ccc3[nH]2)CC1	ZINC000144203635	562835885	/nfs/dbraw/zinc/83/58/85/562835885.db2.gz	XRVVQEFQKPVPNM-UHFFFAOYSA-N	0	0	542.644	2.862	1	0		KFAFRN
CN1CCN(C(=O)N2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CC1	ZINC000144210093	562835948	/nfs/dbraw/zinc/83/59/48/562835948.db2.gz	TVODJIOTCXQZQP-UHFFFAOYSA-N	0	0	525.617	2.889	1	0		KFAFRN
O=C(NC(CN1CCOCC1)CN1CCOCC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1	ZINC000144223986	562835970	/nfs/dbraw/zinc/83/59/70/562835970.db2.gz	IFKJFCSRXGDOJH-UHFFFAOYSA-N	0	0	542.644	2.526	1	0		KFAFRN
O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(C(=O)N2CCOCC2)CC1	ZINC000144236692	562836010	/nfs/dbraw/zinc/83/60/10/562836010.db2.gz	SDHAGKQOXUAYEX-UHFFFAOYSA-N	0	0	512.574	2.974	1	0		KFAFRN
O=C(Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1N1CCN(c2ccccn2)CC1)c1ccco1	ZINC000144359255	562836194	/nfs/dbraw/zinc/83/61/94/562836194.db2.gz	IQMJEXHTDOYZEW-UHFFFAOYSA-N	0	0	516.602	2.996	1	0		KFAFRN
COCC(=O)N(C)Cc1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1	ZINC000144431728	562836214	/nfs/dbraw/zinc/83/62/14/562836214.db2.gz	GQYFBVAPEBAFPM-PMACEKPBSA-N	0	0	520.634	2.747	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O	ZINC000145671945	562837439	/nfs/dbraw/zinc/83/74/39/562837439.db2.gz	NQEPRIPSHBTYJA-BAENWPLBSA-N	0	0	532.586	2.737	1	0		KFAFRN
C[C@@H]1CN2c3c(cc4c(onc4N4C(=O)OC[C@H]4c4ccccc4)c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000145726682	562837561	/nfs/dbraw/zinc/83/75/61/562837561.db2.gz	UXUNUTGBWKLKJK-JBVFKMRFSA-N	0	0	549.515	2.556	1	0		KFAFRN
CN(C)C(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000145897537	562837730	/nfs/dbraw/zinc/83/77/30/562837730.db2.gz	FYDZQEXUUIMLEQ-YLJYHZDGSA-N	0	0	544.081	2.550	1	0		KFAFRN
CN(C)C(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1	ZINC000145897744	562837715	/nfs/dbraw/zinc/83/77/15/562837715.db2.gz	FYDZQEXUUIMLEQ-XLIONFOSSA-N	0	0	544.081	2.550	1	0		KFAFRN
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C[NH2+]CC[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000145917835	562837780	/nfs/dbraw/zinc/83/77/80/562837780.db2.gz	JACVRKLACWGKDH-KAYWLYCHSA-N	0	0	581.672	2.884	1	0		KFAFRN
C[C@@H]1CN2c3c(cc4c(onc4N4C(=O)OC[C@@H]4c4ccccc4)c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000145928762	562837756	/nfs/dbraw/zinc/83/77/56/562837756.db2.gz	UXUNUTGBWKLKJK-URCVVBJGSA-N	0	0	549.515	2.556	1	0		KFAFRN
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CC([NH3+])C1	ZINC000147480884	562839366	/nfs/dbraw/zinc/83/93/66/562839366.db2.gz	NOAAMEWSJNYQFE-FQEVSTJZSA-N	0	0	518.043	2.577	1	0		KFAFRN
C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NCCO)cc2)n1	ZINC000147590850	562839470	/nfs/dbraw/zinc/83/94/70/562839470.db2.gz	SISSPCWSSLRIEP-IBGZPJMESA-N	0	0	537.642	2.946	1	0		KFAFRN
C[C@H]1COCCN1c1cc(C2(S(=O)(=O)CCCO)CC2)nc(-c2ccc(NC(=S)NC3CC3)cc2)n1	ZINC000147614011	562839464	/nfs/dbraw/zinc/83/94/64/562839464.db2.gz	ZINIPRIVILXKJX-KRWDZBQOSA-N	0	0	531.704	2.604	1	0		KFAFRN
CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)N(C)C)c(C(F)(F)F)n1	ZINC000147728636	562839538	/nfs/dbraw/zinc/83/95/38/562839538.db2.gz	ZCAGVFAMPNTRSJ-SFHVURJKSA-N	0	0	540.568	2.660	1	0		KFAFRN
CC(C)[C@@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc(C(=O)N(C)C)c(C(F)(F)F)n1	ZINC000147737882	562839516	/nfs/dbraw/zinc/83/95/16/562839516.db2.gz	ZCAGVFAMPNTRSJ-GOSISDBHSA-N	0	0	540.568	2.660	1	0		KFAFRN
CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NC(COC=O)COC=O)c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000147753694	562839571	/nfs/dbraw/zinc/83/95/71/562839571.db2.gz	HVQTVAWGMJXGIM-IXCJQBJRSA-N	0	0	560.669	2.945	1	0		KFAFRN
COC(=O)c1cnc(N2CCn3c4cc(S(C)(=O)=O)c(CO)cc4nc3[C@H]2C(C)C)nc1C(F)(F)F	ZINC000147783240	562839678	/nfs/dbraw/zinc/83/96/78/562839678.db2.gz	ZWGZCSXCYWYFTL-QGZVFWFLSA-N	0	0	527.525	2.745	1	0		KFAFRN
CN1CCN(c2nc(N)c3ncnc(Nc4ccc(F)c(C(=O)Nc5cc(C(C)(C)C)[nH]n5)c4)c3n2)CC1	ZINC000148053350	562840034	/nfs/dbraw/zinc/84/00/34/562840034.db2.gz	JUWXMHJIIZBURO-UHFFFAOYSA-N	0	0	519.589	2.909	1	0		KFAFRN
NC(=O)n1cc(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCO)ccc21	ZINC000148064349	562840090	/nfs/dbraw/zinc/84/00/90/562840090.db2.gz	DYOVXSVHWUGKIZ-RTOPAQNCSA-N	0	0	528.968	2.580	1	0		KFAFRN
COCCOc1ccc2c(C(N)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1	ZINC000148067067	562840070	/nfs/dbraw/zinc/84/00/70/562840070.db2.gz	RBSQGKPYUBAAIJ-ZHRRBRCNSA-N	0	0	548.974	2.813	1	0		KFAFRN
NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21	ZINC000148082558	562840151	/nfs/dbraw/zinc/84/01/51/562840151.db2.gz	RWSAAKAELVPNJZ-LYRGGWFBSA-N	0	0	505.428	2.801	1	0		KFAFRN
NC(=O)n1cc(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(CCO)cc21	ZINC000148085708	562840180	/nfs/dbraw/zinc/84/01/80/562840180.db2.gz	XEJYIPYVHIOYDT-CNDZOEFASA-N	0	0	512.969	2.744	1	0		KFAFRN
COc1cccc2c(C(N)=O)cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c21	ZINC000148135142	562840321	/nfs/dbraw/zinc/84/03/21/562840321.db2.gz	CSXAFVCCIBONCU-KDOFPFPSSA-N	0	0	504.921	2.797	1	0		KFAFRN
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3cccnc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000148140071	562840300	/nfs/dbraw/zinc/84/03/00/562840300.db2.gz	RFQDTOPGWRIDBP-YUXAGFNASA-N	0	0	504.921	2.912	1	0		KFAFRN
CNC(=O)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1	ZINC000148158621	562840369	/nfs/dbraw/zinc/84/03/69/562840369.db2.gz	XBUNENMOTCLNAV-KUHUBIRLSA-N	0	0	532.935	2.981	1	0		KFAFRN
NC(=O)n1cc(NC(=O)N2C[C@@](F)(CNC=O)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21	ZINC000148159075	562840345	/nfs/dbraw/zinc/84/03/45/562840345.db2.gz	NULAEPADPXRXNE-CYFREDJKSA-N	0	0	532.935	2.738	1	0		KFAFRN
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21	ZINC000148181441	562840469	/nfs/dbraw/zinc/84/04/69/562840469.db2.gz	CIJOMZBWGIJBAY-UHFFFAOYSA-N	0	0	563.688	2.972	1	0		KFAFRN
CN(c1ccc(-c2cccn3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nc23)cc1)S(C)(=O)=O	ZINC000148192873	562840509	/nfs/dbraw/zinc/84/05/09/562840509.db2.gz	FOMSLMYHRMDFKJ-UHFFFAOYSA-N	0	0	540.671	2.766	1	0		KFAFRN
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nc23)cc1	ZINC000148196261	562840508	/nfs/dbraw/zinc/84/05/08/562840508.db2.gz	VUPOSILMRHPRKX-UHFFFAOYSA-N	0	0	511.629	2.774	1	0		KFAFRN
CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nn32)cc1	ZINC000148208656	562840544	/nfs/dbraw/zinc/84/05/44/562840544.db2.gz	CBZXUOJTAGQOFC-UHFFFAOYSA-N	0	0	511.629	2.774	1	0		KFAFRN
O=C(CO)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Br)c2F)c2ccccc12	ZINC000148211167	562840550	/nfs/dbraw/zinc/84/05/50/562840550.db2.gz	WABSCFZJZLWJQU-QRWLVFNGSA-N	0	0	534.357	2.973	1	0		KFAFRN
NC(=O)n1cc(CC(=O)N2C[C@@](F)(CO)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21	ZINC000148224237	562840617	/nfs/dbraw/zinc/84/06/17/562840617.db2.gz	SKIXKRDQEMQEHM-YADARESESA-N	0	0	504.921	2.521	1	0		KFAFRN
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21	ZINC000148237588	562840626	/nfs/dbraw/zinc/84/06/26/562840626.db2.gz	UMTWDBDLMUMNBT-UHFFFAOYSA-N	0	0	561.672	2.726	1	0		KFAFRN
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21	ZINC000148242574	562840676	/nfs/dbraw/zinc/84/06/76/562840676.db2.gz	UWLUXJYJZVRCQE-UHFFFAOYSA-N	0	0	548.629	2.811	1	0		KFAFRN
C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Cc2cn(C(N)=O)c3ccc(OCCO)cc23)C1	ZINC000148270408	562840783	/nfs/dbraw/zinc/84/07/83/562840783.db2.gz	ADNIEUDELRHWES-HFZDXXHNSA-N	0	0	548.974	2.920	1	0		KFAFRN
COCCNC(=O)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1	ZINC000148344525	562841115	/nfs/dbraw/zinc/84/11/15/562841115.db2.gz	UNBBBRIQXVOZSY-IERDGZPVSA-N	0	0	576.988	2.998	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2C)CN1C(=O)OC(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000148598472	562841525	/nfs/dbraw/zinc/84/15/25/562841525.db2.gz	GYPJWYCZYZSAOS-QYZOEREBSA-N	0	0	556.081	2.543	1	0		KFAFRN
O=C(NC1CC1)C(=O)C1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1	ZINC000148627467	562841587	/nfs/dbraw/zinc/84/15/87/562841587.db2.gz	CYDTZGSMCADTPW-IRLDBZIGSA-N	0	0	618.539	2.965	1	0		KFAFRN
C[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1	ZINC000148708877	562841680	/nfs/dbraw/zinc/84/16/80/562841680.db2.gz	LHEWOPPODOUFHU-AQKFKSFVSA-N	0	0	606.528	2.821	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1C(=O)C1(C(F)(F)F)CC1)C(=O)C(=O)NC1CC1	ZINC000148722089	562841671	/nfs/dbraw/zinc/84/16/71/562841671.db2.gz	OFTRFOHEJXRION-PVAVHDDUSA-N	0	0	611.561	2.534	1	0		KFAFRN
CCOC(=O)OC[C@H]1O[C@@H](c2ccc(C3CC3)c(Cc3ccc4c(c3)OCCO4)c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000148924763	562841931	/nfs/dbraw/zinc/84/19/31/562841931.db2.gz	DNMIBLYXBDYDQN-RTJMFUJLSA-N	0	0	500.544	2.622	1	0		KFAFRN
O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCC5(CC4=O)OCCO5)cc3OC[C@@H]12)c1ccc(Cl)s1	ZINC000148947686	562842010	/nfs/dbraw/zinc/84/20/10/562842010.db2.gz	IGAZWRWNXXICNC-RDJZCZTQSA-N	0	0	519.963	2.788	1	0		KFAFRN
C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1	ZINC000149018791	562842097	/nfs/dbraw/zinc/84/20/97/562842097.db2.gz	KVLKBNRSNMTBHW-KRWDZBQOSA-N	0	0	515.636	2.703	1	0		KFAFRN
COc1ccc2ncc(F)c([C@@H](CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)C(=O)[O-])c2n1	ZINC000149105037	562842102	/nfs/dbraw/zinc/84/21/02/562842102.db2.gz	NLCSRLLEEMVJKP-MCHNJAHVSA-N	0	0	537.548	2.933	1	0		KFAFRN
COc1ccc2ncc(F)c([C@H](CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)C(=O)[O-])c2n1	ZINC000149105271	562842117	/nfs/dbraw/zinc/84/21/17/562842117.db2.gz	NLCSRLLEEMVJKP-HYOVDPQQSA-N	0	0	537.548	2.933	1	0		KFAFRN
O=C([O-])c1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149129915	562842171	/nfs/dbraw/zinc/84/21/71/562842171.db2.gz	HEPXUQJKKPZPPU-UHFFFAOYSA-N	0	0	507.522	2.997	1	0		KFAFRN
CC(=O)O[C@H]1C[C@H]2[C@@H](O)[C@@H]3[C@](O)(COC(=O)c4ccccc4)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	ZINC000150364853	291754192	/nfs/dbraw/zinc/75/41/92/291754192.db2.gz	QEHCTLITMBBFGI-YIFMMSFHSA-N	0	0	716.777	2.996	1	0	biogenic,in-vitro	KFAFRN
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)c1cn(C[C@@H]2N3C(=O)C(Br)(Br)[C@H]3SC2(C)C)nn1	ZINC000150523109	562843605	/nfs/dbraw/zinc/84/36/05/562843605.db2.gz	LSYMLUWUBGZOSV-OFHLLDISSA-N	0	0	730.480	2.577	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1cn(C[C@@H]2N3C(=O)C(Br)(Br)[C@H]3SC2(C)C)nn1	ZINC000150523111	562843620	/nfs/dbraw/zinc/84/36/20/562843620.db2.gz	UKUNYLWUDAWMIN-OFHLLDISSA-N	0	0	714.481	2.872	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)c1cn(C[C@@H]2N3C(=O)C(Br)(Br)[C@H]3SC2(C)C)nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000150523115	562843618	/nfs/dbraw/zinc/84/36/18/562843618.db2.gz	XNMWCOCTQQTNJZ-QIZJNWRUSA-N	0	0	714.481	2.872	1	0		KFAFRN
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cn(C[C@@H]2N3C(=O)C(Br)(Br)[C@H]3SC2(C)C)nn1	ZINC000150523123	562843606	/nfs/dbraw/zinc/84/36/06/562843606.db2.gz	DPJRRLZPWBAWSS-JWUHVGAXSA-N	0	0	680.464	2.675	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)c1cn(C[C@@H]2N3C(=O)C(Br)(Br)[C@H]3SC2(C)C)nn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC	ZINC000150523126	562843612	/nfs/dbraw/zinc/84/36/12/562843612.db2.gz	WTANLVYVMYXNBY-QCEXLTHBSA-N	0	0	730.480	2.577	1	0		KFAFRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)c1cn(C[C@@H]2N3C(=O)C(Br)(Br)[C@H]3SC2(C)C)nn1	ZINC000150523128	562843623	/nfs/dbraw/zinc/84/36/23/562843623.db2.gz	BFWICSVZMDFFAC-QPBWXXGLSA-N	0	0	732.521	2.579	1	0		KFAFRN
CCN/C=C1/C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21	ZINC000150535764	562843927	/nfs/dbraw/zinc/84/39/27/562843927.db2.gz	PZHRJGDHNANGNP-AFXFOOCFSA-N	0	0	642.775	2.696	1	0		KFAFRN
CN/C(C)=C1/C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21	ZINC000150540595	562844185	/nfs/dbraw/zinc/84/41/85/562844185.db2.gz	CJXWCYBPIXFWOP-XYVJZVNNSA-N	0	0	642.775	2.696	1	0		KFAFRN
O=C(COc1ccc(OCC(=O)n2c(=O)cc(O)n(-c3ccccc3)c2=S)cc1)n1c(=O)cc(O)n(-c2ccccc2)c1=S	ZINC000150558406	562844802	/nfs/dbraw/zinc/84/48/02/562844802.db2.gz	YBSIFJGRQULWCB-UHFFFAOYSA-N	0	0	630.660	2.598	1	0		KFAFRN
CC(=O)O[C@H]1[C@@H]2[C@@H](O)[C@@]3(OC2(C)C)[C@](C)([C@H]1OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)O	ZINC000150576545	562845325	/nfs/dbraw/zinc/84/53/25/562845325.db2.gz	DAFJFDQTTDAKHQ-MYQVBARQSA-N	0	0	668.692	2.542	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2C(=O)[C@@H](OC(=O)c3ccccc3)[C@]3(OC(C)=O)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C	ZINC000150577621	562845396	/nfs/dbraw/zinc/84/53/96/562845396.db2.gz	DUORFIPGITUHRG-LWDVMKGVSA-N	0	0	652.649	2.504	1	0		KFAFRN
CC(=O)O[C@H]1C[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@@H](C(C)=O)[C@@H](OC(=O)c2ccccc2)[C@]3(OC(C)=O)[C@H]1OC(=O)c1ccccc1	ZINC000150577926	562845392	/nfs/dbraw/zinc/84/53/92/562845392.db2.gz	FDRMLGOOYGOYRP-VQDRUZKSSA-N	0	0	638.666	2.569	1	0		KFAFRN
CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2OC(C)=O	ZINC000150581827	562845505	/nfs/dbraw/zinc/84/55/05/562845505.db2.gz	NFOQLYSQUBGBCQ-OTHBGTIFSA-N	0	0	632.659	2.706	1	0		KFAFRN
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc([C@@H]4OC[C@H]5[C@H](c6ccc(O)c(OC)c6)OC[C@@H]45)cc3OC)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O	ZINC000150583639	562845654	/nfs/dbraw/zinc/84/56/54/562845654.db2.gz	YJJBMEAGCOFGGM-QIWKOVHQSA-N	0	0	696.702	2.642	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O)Oc1cccc2ccccc21	ZINC000150585989	562845832	/nfs/dbraw/zinc/84/58/32/562845832.db2.gz	UDQFVNSVUSDUEH-RRXHLYCDSA-N	0	0	681.323	2.543	1	0		KFAFRN
CCN(CC)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(OS(=O)(=O)c2c(C)cc(C)cc2C)c(=O)n1C	ZINC000150586027	562845808	/nfs/dbraw/zinc/84/58/08/562845808.db2.gz	NJXWIUMSFJMPRS-UHFFFAOYSA-N	0	0	643.738	2.762	1	0		KFAFRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000150588643	562846038	/nfs/dbraw/zinc/84/60/38/562846038.db2.gz	CQODCQQDRHYARY-JQHSGQRPSA-N	0	0	632.706	2.866	1	0		KFAFRN
COc1ccc(C[C@H]2C(=O)N[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4OC)C[C@@H](C(=O)N[C@H](C)C(=O)NC4(SCCS4)C(=O)N2C)N(C)C3=O)cc1	ZINC000150590583	562846130	/nfs/dbraw/zinc/84/61/30/562846130.db2.gz	SAWMKYJCZKPALT-ULSXCEIWSA-N	0	0	847.029	2.591	1	0		KFAFRN
COc1cc([C@@H]2c3cc4oc(=S)oc4cc3[C@@H](O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)cc(OC)c1O	ZINC000150591037	562846200	/nfs/dbraw/zinc/84/62/00/562846200.db2.gz	GUWCBFYGZKKPML-FMEAWWTOSA-N	0	0	618.613	2.679	1	0		KFAFRN
COc1ccc([C@@H](C)NC(=O)c2cc(=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)o2)cc1	ZINC000150593990	562846413	/nfs/dbraw/zinc/84/64/13/562846413.db2.gz	AWDILTNFQWLNRP-HRUHZFIUSA-N	0	0	637.653	2.660	1	0		KFAFRN
COc1cccc([C@@H](C)NC(=O)c2cc(=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)o2)c1	ZINC000150593993	562846419	/nfs/dbraw/zinc/84/64/19/562846419.db2.gz	MMSCGJQYHSLVDQ-HRUHZFIUSA-N	0	0	637.653	2.660	1	0		KFAFRN
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)c1ccc(F)cc1	ZINC000150594164	562846468	/nfs/dbraw/zinc/84/64/68/562846468.db2.gz	VDKSXSRKFHQMIH-BBSHIGFISA-N	0	0	625.617	2.791	1	0		KFAFRN
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)c1cccc(F)c1	ZINC000150594167	562846486	/nfs/dbraw/zinc/84/64/86/562846486.db2.gz	YWLUZRWQZPXLBZ-BBSHIGFISA-N	0	0	625.617	2.791	1	0		KFAFRN
CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC	ZINC000150596517	562846714	/nfs/dbraw/zinc/84/67/14/562846714.db2.gz	FMWVEUQSXVRCFQ-HXQMXDEDSA-N	0	0	666.750	2.969	1	0		KFAFRN
CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC	ZINC000150596531	562846719	/nfs/dbraw/zinc/84/67/19/562846719.db2.gz	XDLCONKAGDFVRD-HXQMXDEDSA-N	0	0	666.750	2.969	1	0		KFAFRN
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccc(Cl)cc1	ZINC000150596570	562846737	/nfs/dbraw/zinc/84/67/37/562846737.db2.gz	VVOWMIIVZUACCL-PLDOJOSHSA-N	0	0	662.036	2.937	1	0		KFAFRN
CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC	ZINC000150596960	562846739	/nfs/dbraw/zinc/84/67/39/562846739.db2.gz	FMWVEUQSXVRCFQ-NRCRZUOTSA-N	0	0	666.750	2.969	1	0		KFAFRN
CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC	ZINC000150596968	562846755	/nfs/dbraw/zinc/84/67/55/562846755.db2.gz	XDLCONKAGDFVRD-NRCRZUOTSA-N	0	0	666.750	2.969	1	0		KFAFRN
COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)OC)cc2)cc1	ZINC000150601034	562847212	/nfs/dbraw/zinc/84/72/12/562847212.db2.gz	MWEZKKWFRDRRNU-HKDRDPIHSA-N	0	0	636.706	2.702	1	0		KFAFRN
OCCOCCOCCOCCOCCOCCOCCOCCn1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1	ZINC000150601925	562847271	/nfs/dbraw/zinc/84/72/71/562847271.db2.gz	JIZLDOUVZHTVHP-UHFFFAOYSA-N	0	0	659.712	2.910	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](n2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3C)nn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000150601970	562847299	/nfs/dbraw/zinc/84/72/99/562847299.db2.gz	WPYVPVRRHIXKFU-JQUYAQERSA-N	0	0	650.620	2.802	1	0		KFAFRN
Cn1c(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCO)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1	ZINC000150602282	562847307	/nfs/dbraw/zinc/84/73/07/562847307.db2.gz	DKOGNSPGLPAQJS-UHFFFAOYSA-N	0	0	672.755	2.655	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2ccccc2)[C@@H](O)[C@]12CCO2	ZINC000150603848	562847515	/nfs/dbraw/zinc/84/75/15/562847515.db2.gz	MMHBQIHTBIBIQE-QMCXUBKYSA-N	0	0	640.590	2.760	1	0		KFAFRN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2ccccc2)[C@@H](O)[C@]12CCO2	ZINC000150605074	562847717	/nfs/dbraw/zinc/84/77/17/562847717.db2.gz	MMHBQIHTBIBIQE-PWRKSVBCSA-N	0	0	640.590	2.760	1	0		KFAFRN
C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(NC(=O)OC(C)(C)C)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCC1	ZINC000150605303	562847750	/nfs/dbraw/zinc/84/77/50/562847750.db2.gz	UBEIQJFYMPKKKM-ONMYJXLISA-N	0	0	652.638	2.746	1	0		KFAFRN
C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(NC(=O)OC(C)(C)C)[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCC1	ZINC000150605306	562847761	/nfs/dbraw/zinc/84/77/61/562847761.db2.gz	UBEIQJFYMPKKKM-KXQNRIPZSA-N	0	0	652.638	2.746	1	0		KFAFRN
CCOC(=O)[C@H](CCC(=O)OCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1	ZINC000150608155	562848167	/nfs/dbraw/zinc/84/81/67/562848167.db2.gz	HEHOGZRPHPRYTQ-MHZLTWQESA-N	0	0	779.829	2.697	1	0		KFAFRN
O=c1c2c(nc3[n-]nc([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)n31)nc1c(c2-c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1	ZINC000150608337	562848159	/nfs/dbraw/zinc/84/81/59/562848159.db2.gz	YTLDBUGETRFBDT-KLMIEEKMSA-N	0	0	624.481	2.925	1	0		KFAFRN
C[C@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)CS1)C(=O)OCc1ccccc1	ZINC000150609356	562848229	/nfs/dbraw/zinc/84/82/29/562848229.db2.gz	PAFLVGYCHUSZRI-UIYANEJRSA-N	0	0	631.648	2.981	1	0		KFAFRN
COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCn1cnc(CCNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)c1)=NO2	ZINC000150609364	562848227	/nfs/dbraw/zinc/84/82/27/562848227.db2.gz	PXZNXGGXUQRNRY-KBJUPQRZSA-N	0	0	898.198	2.891	1	0		KFAFRN
CC(=O)OC[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@]12OC3(C)C	ZINC000150611253	562848429	/nfs/dbraw/zinc/84/84/29/562848429.db2.gz	CCSRSDZVOVYVJC-KXYFRWCYSA-N	0	0	632.659	2.706	1	0		KFAFRN
O=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC=CS(=O)(=O)CCc1ccccc1)NN1CCOCC1	ZINC000150613147	562848687	/nfs/dbraw/zinc/84/86/87/562848687.db2.gz	GCQGSCSBNUIQMP-KLRXIPGSSA-N	0	0	647.798	2.507	1	0		KFAFRN
COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC)cc1	ZINC000150613572	562848696	/nfs/dbraw/zinc/84/86/96/562848696.db2.gz	PXPCBWYWMQNODS-GSTWNWCBSA-N	0	0	658.818	2.823	1	0		KFAFRN
CC(C)C(=O)OC[C@H](Cc1c[nH]c2ccccc12)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000150623271	562848906	/nfs/dbraw/zinc/84/89/06/562848906.db2.gz	CBNWSZLOFNLTJO-MZIZNSDLSA-N	0	0	655.645	2.920	1	0		KFAFRN
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)[C@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000161835603	562849209	/nfs/dbraw/zinc/84/92/09/562849209.db2.gz	KFBCFYNJFLJDPD-CTGDMVBZSA-N	0	0	631.793	2.815	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)CC(=O)OC(C)C	ZINC000164836012	562849754	/nfs/dbraw/zinc/84/97/54/562849754.db2.gz	UXEBFVSPJTVVLH-QJANCWQKSA-N	0	0	663.816	2.932	1	0		KFAFRN
Cc1ccc(NS(=O)(=O)CCC(F)(F)F)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21	ZINC000166182826	562850411	/nfs/dbraw/zinc/85/04/11/562850411.db2.gz	CKQRCEOKXXGLDW-UHFFFAOYSA-N	0	0	510.546	2.918	1	0		KFAFRN
COC(=O)Nc1ccc2c(c1)NCC(F)(F)C(=O)NC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1	ZINC000167121056	562850648	/nfs/dbraw/zinc/85/06/48/562850648.db2.gz	JZAAATGOENSOEM-NLDVTHOVSA-N	0	0	612.985	2.932	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2ncc3c2ncnc3SC/C=C/c2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000167543485	562850966	/nfs/dbraw/zinc/85/09/66/562850966.db2.gz	WRVKLPRKUAMVFJ-VMKZXWPISA-N	0	0	526.571	2.956	1	0		KFAFRN
C[C@@]1(c2cccc(NC(=O)c3ncc(OCC(F)(F)F)nc3N)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1	ZINC000167587212	562850968	/nfs/dbraw/zinc/85/09/68/562850968.db2.gz	FFRBKRVVRVORIQ-DLBZAZTESA-N	0	0	507.395	2.571	1	0		KFAFRN
C[C@@]1(c2nc(NC(=O)c3ncc(OCCCF)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1	ZINC000167613544	562851017	/nfs/dbraw/zinc/85/10/17/562851017.db2.gz	JKHHBPZBBWGXHT-RBUKOAKNSA-N	0	0	503.432	2.507	1	0		KFAFRN
C[C@@]1(c2nc(NC(=O)c3nc4ccn(CC(F)F)c4nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1	ZINC000167633382	562850988	/nfs/dbraw/zinc/85/09/88/562850988.db2.gz	WBCXJAZBPSKARJ-VQTJNVASSA-N	0	0	530.433	2.989	1	0		KFAFRN
CNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C3(S(=O)(=O)c4ccncc4)CC3)n2)cc1	ZINC000167634625	562851005	/nfs/dbraw/zinc/85/10/05/562851005.db2.gz	LUSXJIMQYNNUJA-KRWDZBQOSA-N	0	0	508.604	2.978	1	0		KFAFRN
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1	ZINC000167955158	562851103	/nfs/dbraw/zinc/85/11/03/562851103.db2.gz	RAUMKECENUNFIM-UHFFFAOYSA-N	0	0	556.612	2.526	1	0		KFAFRN
Nc1nonc1-n1nnc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)c1-c1ccccc1	ZINC000167968678	562851191	/nfs/dbraw/zinc/85/11/91/562851191.db2.gz	HVBIPXURNCQSMJ-NRFANRHFSA-N	0	0	626.703	2.728	1	0		KFAFRN
Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1	ZINC000167971559	562851184	/nfs/dbraw/zinc/85/11/84/562851184.db2.gz	XVEYTMRDKXNGDB-QHCPKHFHSA-N	0	0	558.668	2.799	1	0		KFAFRN
O=C(CCNC(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1)N1CC(O)C1	ZINC000168007701	562851212	/nfs/dbraw/zinc/85/12/12/562851212.db2.gz	OKBRRYAYWLZRRX-OAQYLSRUSA-N	0	0	557.485	2.820	1	0		KFAFRN
O=C(CCNC(=O)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1)N1CC(O)C1	ZINC000168007810	562851221	/nfs/dbraw/zinc/85/12/21/562851221.db2.gz	OKBRRYAYWLZRRX-NRFANRHFSA-N	0	0	557.485	2.820	1	0		KFAFRN
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NCCc2ccc(Cl)cc2)C32CC2)cc1	ZINC000168512692	562851448	/nfs/dbraw/zinc/85/14/48/562851448.db2.gz	MHWQVXQFGXHTLU-OLKYXYMISA-N	0	0	528.074	2.833	1	0		KFAFRN
Cc1nc(N)cc(-c2cc([C@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1	ZINC000169065921	562851617	/nfs/dbraw/zinc/85/16/17/562851617.db2.gz	ROAUQXKGSRMILT-AWEZNQCLSA-N	0	0	548.073	2.833	1	0		KFAFRN
Cc1nc(N)cc(-c2cc([C@@H](C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1	ZINC000169129004	562851628	/nfs/dbraw/zinc/85/16/28/562851628.db2.gz	ROAUQXKGSRMILT-CQSZACIVSA-N	0	0	548.073	2.833	1	0		KFAFRN
CN1CCN(c2ncc(-c3cnc4[nH]ccc4n3)c(N[C@H]3CCCN(S(=O)(=O)CCC(C)(C)C)C3)n2)CC1	ZINC000169168406	562851654	/nfs/dbraw/zinc/85/16/54/562851654.db2.gz	JCYROZOHYWKFQS-IBGZPJMESA-N	0	0	541.726	2.809	1	0		KFAFRN
CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1	ZINC000169262161	562851688	/nfs/dbraw/zinc/85/16/88/562851688.db2.gz	DZYUSOGHOILRSO-HXUWFJFHSA-N	0	0	504.563	2.503	1	0		KFAFRN
CS(=O)(=O)N1CCC(NC(=O)c2cnn3ccc(N4CCC[C@H]4c4cc(F)ccc4F)nc23)CC1	ZINC000169262258	562851685	/nfs/dbraw/zinc/85/16/85/562851685.db2.gz	DZYUSOGHOILRSO-FQEVSTJZSA-N	0	0	504.563	2.503	1	0		KFAFRN
CC(C)=C[C@@H]1NC(=O)CC/C=C\CC[C@H](C)CC(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C3C(C)[C@H](C[C@@]2(O)C3(C)C)OC(=O)[C@@H]1O	ZINC000169290949	562851796	/nfs/dbraw/zinc/85/17/96/562851796.db2.gz	MNWPNAGLVDCTMM-CJBFCQFISA-N	0	0	801.927	2.858	1	0		KFAFRN
COc1ccc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2C=CC3[C@@H]3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1OC	ZINC000169295138	571553084	/nfs/dbraw/zinc/55/30/84/571553084.db2.gz	UGZMPGJVXRAOPR-IGAMFIIXSA-N	0	0	574.630	2.524	1	0		KFAFRN
C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000169298100	562852645	/nfs/dbraw/zinc/85/26/45/562852645.db2.gz	QHTZNDYCQGKEKZ-WSWJYATPSA-N	0	0	592.770	2.797	1	0		KFAFRN
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCCN(c2ncccc2C(=O)N2CCC[C@@H]2C(N)=O)CC1	ZINC000169301418	562852898	/nfs/dbraw/zinc/85/28/98/562852898.db2.gz	QKZLBSPVDODSPQ-KOVSNXQUSA-N	0	0	513.683	2.688	1	0		KFAFRN
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)N(N=O)[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000169301945	562852970	/nfs/dbraw/zinc/85/29/70/562852970.db2.gz	MLDKUXYAKCZJHH-KIHHCIJBSA-N	0	0	580.612	2.779	1	0		KFAFRN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)N(N=O)[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000169301947	562852993	/nfs/dbraw/zinc/85/29/93/562852993.db2.gz	MLDKUXYAKCZJHH-ZJZGAYNASA-N	0	0	580.612	2.779	1	0		KFAFRN
CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)N(N=O)[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000169301948	562852990	/nfs/dbraw/zinc/85/29/90/562852990.db2.gz	MLDKUXYAKCZJHH-NEWJYFPISA-N	0	0	580.612	2.779	1	0		KFAFRN
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)N(N=O)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000169306002	562853500	/nfs/dbraw/zinc/85/35/00/562853500.db2.gz	SXVHKKQEGYMGQU-LRSLUSHPSA-N	0	0	520.560	2.761	1	0		KFAFRN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)N(N=O)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000169306004	562853502	/nfs/dbraw/zinc/85/35/02/562853502.db2.gz	SXVHKKQEGYMGQU-CMOCDZPBSA-N	0	0	520.560	2.761	1	0		KFAFRN
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)N(N=O)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)S1(=O)=O	ZINC000169306006	562853480	/nfs/dbraw/zinc/85/34/80/562853480.db2.gz	SXVHKKQEGYMGQU-MYGLTJDJSA-N	0	0	520.560	2.761	1	0		KFAFRN
CC[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C	ZINC000169306414	562853552	/nfs/dbraw/zinc/85/35/52/562853552.db2.gz	IUEZQKKVBTXDAH-WHEIOCOVSA-N	0	0	716.946	2.648	1	0		KFAFRN
CC(C)c1cc(-n2nnc(C(=O)N3CCOCC3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O	ZINC000169306703	562853598	/nfs/dbraw/zinc/85/35/98/562853598.db2.gz	GSUOVFJJGRKABZ-UHFFFAOYSA-N	0	0	507.591	2.774	1	0		KFAFRN
O=C1COc2ccc(-n3cc(C[C@H](O)COCCOC[C@@H](O)Cc4ccc(-c5ccccc5)cc4)nn3)cc2N1	ZINC000169308002	562853991	/nfs/dbraw/zinc/85/39/91/562853991.db2.gz	GMIFQCPAKKFFLK-SVBPBHIXSA-N	0	0	544.608	2.805	1	0		KFAFRN
C[C@H](NP(=O)(COCCn1cnc2c1ncnc2N)N[C@@H](C)C(=O)OCC(C)(C)C)C(=O)OCC(C)(C)C	ZINC000169308408	562854066	/nfs/dbraw/zinc/85/40/66/562854066.db2.gz	WKPWIENNWXFQLW-IRXDYDNUSA-N	0	0	555.617	2.711	1	0		KFAFRN
CN1c2c(C(=O)Nc3ccc(OCC(N)=O)cc3)nn(-c3cccc(F)c3)c2-c2ccccc2S1(=O)=O	ZINC000169308556	562854131	/nfs/dbraw/zinc/85/41/31/562854131.db2.gz	WJDNSFFXIAYMGG-UHFFFAOYSA-N	0	0	521.530	2.933	1	0		KFAFRN
CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([S@@](C)=O)cc2)c1	ZINC000169311728	562855192	/nfs/dbraw/zinc/85/51/92/562855192.db2.gz	VBEYFQZCPVKRFD-WJOKGBTCSA-N	0	0	506.627	2.905	1	0		KFAFRN
CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc([S@](C)=O)cc2)c1	ZINC000169311729	562855178	/nfs/dbraw/zinc/85/51/78/562855178.db2.gz	VBEYFQZCPVKRFD-HKBQPEDESA-N	0	0	506.627	2.905	1	0		KFAFRN
CCOC(=O)CC[C@H](NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2C)cc1)C(=O)OCC	ZINC000169314986	562855764	/nfs/dbraw/zinc/85/57/64/562855764.db2.gz	HOQQAXQHWMZNQW-FQEVSTJZSA-N	0	0	509.563	2.843	1	0		KFAFRN
COc1ccccc1C(=O)N[C@@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000169316684	562855841	/nfs/dbraw/zinc/85/58/41/562855841.db2.gz	INTVKZYCKYKZJV-DNQXCXABSA-N	0	0	523.655	2.751	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000169317367	562855944	/nfs/dbraw/zinc/85/59/44/562855944.db2.gz	QEUQZUPMUQTGLW-VHVZMIMOSA-N	0	0	797.851	2.853	1	0		KFAFRN
CC(C)[C@@H](O)C(=O)O[C@@H](C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@](C)(C=CC(=O)OC[C@@]2(C)O)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C)C(C)C	ZINC000169317535	562855976	/nfs/dbraw/zinc/85/59/76/562855976.db2.gz	RCYZADKTJDQLRC-YGXNRVIVSA-N	0	0	688.767	2.795	1	0		KFAFRN
CC(C)[C@@H](OC(=O)[C@@H](O)C(C)C)C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@](C)(C=CC(=O)OC[C@@]2(C)O)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C	ZINC000169317539	562855948	/nfs/dbraw/zinc/85/59/48/562855948.db2.gz	RCYZADKTJDQLRC-IQDDLKDNSA-N	0	0	688.767	2.795	1	0		KFAFRN
COc1ccc([C@@](Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccc(C(N)=O)cc2)cc1	ZINC000169319217	562856217	/nfs/dbraw/zinc/85/62/17/562856217.db2.gz	VYIYKVPGNNFWNO-RMAXSRAJSA-N	0	0	617.613	2.806	1	0		KFAFRN
COP(=O)(C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC	ZINC000169319228	562856195	/nfs/dbraw/zinc/85/61/95/562856195.db2.gz	VMLZFVUGKIKCRS-QORCZRPOSA-N	0	0	623.688	2.951	1	0		KFAFRN
O=C(Cc1cccs1)N[C@@H]1CCN(C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000169319238	562856209	/nfs/dbraw/zinc/85/62/09/562856209.db2.gz	HDCVAZLSQVVXCC-DHIUTWEWSA-N	0	0	513.685	2.733	1	0		KFAFRN
Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](N3C[C@H](C=CBr)C(=O)NC3=O)C[C@@H]1O)OC2	ZINC000169319756	562856291	/nfs/dbraw/zinc/85/62/91/562856291.db2.gz	UDWOLYHOUMANKY-PTRBQRGVSA-N	0	0	517.269	2.581	1	0		KFAFRN
Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](N3C[C@H](C=CBr)C(=O)NC3=O)C[C@@H]1O)OC2	ZINC000169319758	562856277	/nfs/dbraw/zinc/85/62/77/562856277.db2.gz	UDWOLYHOUMANKY-XXVNWICHSA-N	0	0	517.269	2.581	1	0		KFAFRN
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000169319761	562856298	/nfs/dbraw/zinc/85/62/98/562856298.db2.gz	SPRCTPAQWGCNES-XRSSCVGRSA-N	0	0	795.975	2.757	1	0		KFAFRN
CCCC[C@@H](CC)CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)[C@@H](C)CC)C(=O)[O-]	ZINC000169320084	562856374	/nfs/dbraw/zinc/85/63/74/562856374.db2.gz	SBHILCKXBLSAAM-DMCBNNEPSA-N	0	0	684.724	2.993	1	0		KFAFRN
CCCC[C@H](CC)CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)[C@@H](C)CC)C(=O)[O-]	ZINC000169320086	562856348	/nfs/dbraw/zinc/85/63/48/562856348.db2.gz	SBHILCKXBLSAAM-UVCKQMRKSA-N	0	0	684.724	2.993	1	0		KFAFRN
CC(=O)OCO[P@@]1(=O)OC[C@@H]2O[C@@H](n3c(Sc4ccc(Cl)cc4)nc4c3ncnc4N)[C@H](O)[C@@H]2O1	ZINC000169320787	562856475	/nfs/dbraw/zinc/85/64/75/562856475.db2.gz	XXDWNMLPFMCWLU-GAMRNMDFSA-N	0	0	543.882	2.532	1	0		KFAFRN
CC(=O)OCO[P@]1(=O)OC[C@@H]2O[C@@H](n3c(Sc4ccc(Cl)cc4)nc4c3ncnc4N)[C@H](O)[C@@H]2O1	ZINC000169320788	562856477	/nfs/dbraw/zinc/85/64/77/562856477.db2.gz	XXDWNMLPFMCWLU-VIGNLSPQSA-N	0	0	543.882	2.532	1	0		KFAFRN
C=CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](CCS(C)(=O)=O)C(=O)OC	ZINC000169321006	562856530	/nfs/dbraw/zinc/85/65/30/562856530.db2.gz	KJMLKJMUEQIUJV-FWEHEUNISA-N	0	0	680.865	2.743	1	0		KFAFRN
C=CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](CCS(C)(=O)=O)C(=O)OC	ZINC000169321008	562856522	/nfs/dbraw/zinc/85/65/22/562856522.db2.gz	KJMLKJMUEQIUJV-NFGXINMFSA-N	0	0	680.865	2.743	1	0		KFAFRN
CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O)Oc1cc(Cl)ccc1Cl	ZINC000169321142	562856570	/nfs/dbraw/zinc/85/65/70/562856570.db2.gz	NGZLRSPUXRIAOY-XOGRSFEHSA-N	0	0	775.488	2.669	1	0		KFAFRN
[NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000169321190	562856606	/nfs/dbraw/zinc/85/66/06/562856606.db2.gz	ASLPAERTLARKQO-FMYROPPKSA-N	0	0	595.656	2.949	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@H](OCCO[C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000169321260	562856605	/nfs/dbraw/zinc/85/66/05/562856605.db2.gz	VXPJVUOEBXIRSV-VBLMGENTSA-N	0	0	661.060	2.572	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@H](OCCO[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000169321262	562856620	/nfs/dbraw/zinc/85/66/20/562856620.db2.gz	VXPJVUOEBXIRSV-QENIDMRCSA-N	0	0	661.060	2.572	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](OCCO[C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000169321264	562856590	/nfs/dbraw/zinc/85/65/90/562856590.db2.gz	VXPJVUOEBXIRSV-ZRVXGZJASA-N	0	0	661.060	2.572	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](OCCO[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000169321265	562856616	/nfs/dbraw/zinc/85/66/16/562856616.db2.gz	VXPJVUOEBXIRSV-KVQGDLGUSA-N	0	0	661.060	2.572	1	0		KFAFRN
COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000169321768	562856712	/nfs/dbraw/zinc/85/67/12/562856712.db2.gz	VCEGPGRZPPGGFT-AJIIGFCHSA-N	0	0	592.711	2.810	1	0		KFAFRN
COC(=O)c1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000169321770	562856733	/nfs/dbraw/zinc/85/67/33/562856733.db2.gz	DVUDUPROMJWTHC-DYXRGMLLSA-N	0	0	620.721	2.588	1	0		KFAFRN
CN(Cc1cn(Cc2ccccc2Br)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000169322778	562856907	/nfs/dbraw/zinc/85/69/07/562856907.db2.gz	AIOCUCLREXAXGU-JOCHJYFZSA-N	0	0	518.366	2.978	1	0		KFAFRN
CN(Cc1cn(Cc2ccccc2Br)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000169322779	562856866	/nfs/dbraw/zinc/85/68/66/562856866.db2.gz	AIOCUCLREXAXGU-QFIPXVFZSA-N	0	0	518.366	2.978	1	0		KFAFRN
CN(Cc1cn(Cc2cccc(Br)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000169322780	562856895	/nfs/dbraw/zinc/85/68/95/562856895.db2.gz	PQPYJMUDZFZUCG-JOCHJYFZSA-N	0	0	518.366	2.978	1	0		KFAFRN
CN(Cc1cn(Cc2cccc(Br)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000169322781	562856892	/nfs/dbraw/zinc/85/68/92/562856892.db2.gz	PQPYJMUDZFZUCG-QFIPXVFZSA-N	0	0	518.366	2.978	1	0		KFAFRN
CN(Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000169322782	562856875	/nfs/dbraw/zinc/85/68/75/562856875.db2.gz	DRHCAYRPEKXRCZ-JOCHJYFZSA-N	0	0	518.366	2.978	1	0		KFAFRN
CN(Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000169322783	562856889	/nfs/dbraw/zinc/85/68/89/562856889.db2.gz	DRHCAYRPEKXRCZ-QFIPXVFZSA-N	0	0	518.366	2.978	1	0		KFAFRN
CC(C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000169323058	562856945	/nfs/dbraw/zinc/85/69/45/562856945.db2.gz	ACSYCAMBFSXMIY-FWEHEUNISA-N	0	0	614.788	2.627	1	0		KFAFRN
CC(C)[C@@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSC(=N2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSC1=N2	ZINC000169323085	562856950	/nfs/dbraw/zinc/85/69/50/562856950.db2.gz	RBBBWKUBQVARPL-SDRSKFNSSA-N	0	0	743.956	2.800	1	0		KFAFRN
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NC2CCCCC2)C(=O)NC2CCCCC2)cc1	ZINC000169323447	562857058	/nfs/dbraw/zinc/85/70/58/562857058.db2.gz	ZPFNJHZSYFMOEB-VWLOTQADSA-N	0	0	616.771	2.997	1	0		KFAFRN
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1	ZINC000169323449	562857041	/nfs/dbraw/zinc/85/70/41/562857041.db2.gz	JYTURELZGFRTGS-MHZLTWQESA-N	0	0	632.729	2.732	1	0		KFAFRN
Cc1c2[nH]cc(/C=C3\NC(=O)N([C@@H](C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c2ccc1Cl	ZINC000169323975	562857237	/nfs/dbraw/zinc/85/72/37/562857237.db2.gz	ZFYQBPVMECJUBO-JRCVWDDOSA-N	0	0	518.904	2.511	1	0		KFAFRN
Cc1c2[nH]cc(/C=C3\NC(=O)N([C@H](C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c2ccc1Cl	ZINC000169323976	562857245	/nfs/dbraw/zinc/85/72/45/562857245.db2.gz	ZFYQBPVMECJUBO-KKGUTSHJSA-N	0	0	518.904	2.511	1	0		KFAFRN
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCCc2ccccc2)C(=O)NCCc2ccccc2)cc1	ZINC000169324138	562857290	/nfs/dbraw/zinc/85/72/90/562857290.db2.gz	LOHPWYKHSBNETM-LJAQVGFWSA-N	0	0	660.783	2.817	1	0		KFAFRN
COc1ccc(CCNC(=O)CC[C@H](NC(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC	ZINC000169324141	562857275	/nfs/dbraw/zinc/85/72/75/562857275.db2.gz	PSJWMRSVMCHXTJ-LJAQVGFWSA-N	0	0	780.887	2.851	1	0		KFAFRN
CCCCCCC(=O)N[C@H]1CN(C(=O)CC/C=C/CCC(=O)N2C[C@H](NC(=O)CCCCCC)C2=O)C1=O	ZINC000169325313	562857594	/nfs/dbraw/zinc/85/75/94/562857594.db2.gz	WLAQPVIAEOGFAB-UPYVZJKUSA-N	0	0	532.682	2.751	1	0		KFAFRN
CCCCCCC(=O)N[C@H]1CN(C(=O)CCCCCCC(=O)N2C[C@H](NC(=O)CCCCCC)C2=O)C1=O	ZINC000169325315	562857580	/nfs/dbraw/zinc/85/75/80/562857580.db2.gz	OMSVHOOZASCVTC-VXKWHMMOSA-N	0	0	534.698	2.975	1	0		KFAFRN
CCCCC(=O)N1C[C@H](NC(=O)CCCC/C=C/CCCCC(=O)N[C@H]2CN(C(=O)CCCC)C2=O)C1=O	ZINC000169325318	562857590	/nfs/dbraw/zinc/85/75/90/562857590.db2.gz	KLLHBGJKDUJDFQ-KDFLPFIWSA-N	0	0	532.682	2.751	1	0		KFAFRN
CCCCC(=O)N1C[C@H](NC(=O)CCCCCCCCCCC(=O)N[C@H]2CN(C(=O)CCCC)C2=O)C1=O	ZINC000169325320	562857572	/nfs/dbraw/zinc/85/75/72/562857572.db2.gz	QGNSKJBFOZQHSZ-VXKWHMMOSA-N	0	0	534.698	2.975	1	0		KFAFRN
CN1C[C@@H](CC2SCCCS2)O[P@@]1(=O)OC[C@H]1O[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000169325823	562857673	/nfs/dbraw/zinc/85/76/73/562857673.db2.gz	RYYURYAVRLGORX-MZIPPLNVSA-N	0	0	584.451	2.592	1	0		KFAFRN
CN1C[C@H](CC2SCCCS2)O[P@@]1(=O)OC[C@H]1O[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000169325825	562857678	/nfs/dbraw/zinc/85/76/78/562857678.db2.gz	RYYURYAVRLGORX-ABVRVNKNSA-N	0	0	584.451	2.592	1	0		KFAFRN
COC(=O)CCNC(=O)c1cnc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1	ZINC000169326261	562857743	/nfs/dbraw/zinc/85/77/43/562857743.db2.gz	QFYRVNOJLXNCNA-FQEVSTJZSA-N	0	0	549.671	2.911	1	0		KFAFRN
COC(=O)CCNC(=O)c1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1	ZINC000169326263	562857741	/nfs/dbraw/zinc/85/77/41/562857741.db2.gz	QFYRVNOJLXNCNA-HXUWFJFHSA-N	0	0	549.671	2.911	1	0		KFAFRN
CNC(=O)Cn1cc(-c2cnc(NC(=O)[C@@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1	ZINC000169326294	562857760	/nfs/dbraw/zinc/85/77/60/562857760.db2.gz	HSKQYGJEADNIOR-FQEVSTJZSA-N	0	0	558.686	2.623	1	0		KFAFRN
CNC(=O)Cn1cc(-c2cnc(NC(=O)[C@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1	ZINC000169326296	562857784	/nfs/dbraw/zinc/85/77/84/562857784.db2.gz	HSKQYGJEADNIOR-HXUWFJFHSA-N	0	0	558.686	2.623	1	0		KFAFRN
CN(C)C(=O)Cn1cc(-c2cnc(NC(=O)[C@@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1	ZINC000169326304	562857777	/nfs/dbraw/zinc/85/77/77/562857777.db2.gz	QRXACDCVUOYEJO-NRFANRHFSA-N	0	0	572.713	2.965	1	0		KFAFRN
CN(C)C(=O)Cn1cc(-c2cnc(NC(=O)[C@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1	ZINC000169326306	562857778	/nfs/dbraw/zinc/85/77/78/562857778.db2.gz	QRXACDCVUOYEJO-OAQYLSRUSA-N	0	0	572.713	2.965	1	0		KFAFRN
CN1CCN(C(=O)Cn2cc(-c3cnc(NC(=O)[C@@H](CC4CCOCC4)c4ccc(S(=O)(=O)C5CC5)cc4)s3)nn2)CC1	ZINC000169326313	562857758	/nfs/dbraw/zinc/85/77/58/562857758.db2.gz	CFTZGWZDRYJKAS-DEOSSOPVSA-N	0	0	627.793	2.651	1	0		KFAFRN
CN1CCN(C(=O)Cn2cc(-c3cnc(NC(=O)[C@H](CC4CCOCC4)c4ccc(S(=O)(=O)C5CC5)cc4)s3)nn2)CC1	ZINC000169326315	562857755	/nfs/dbraw/zinc/85/77/55/562857755.db2.gz	CFTZGWZDRYJKAS-XMMPIXPASA-N	0	0	627.793	2.651	1	0		KFAFRN
O=C(Cn1cc(-c2cnc(NC(=O)[C@@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1)N1CCOCC1	ZINC000169326318	562857780	/nfs/dbraw/zinc/85/77/80/562857780.db2.gz	OFFQHYDKVGOINK-QHCPKHFHSA-N	0	0	614.750	2.736	1	0		KFAFRN
O=C(Cn1cc(-c2cnc(NC(=O)[C@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1)N1CCOCC1	ZINC000169326320	562857782	/nfs/dbraw/zinc/85/77/82/562857782.db2.gz	OFFQHYDKVGOINK-HSZRJFAPSA-N	0	0	614.750	2.736	1	0		KFAFRN
O=C(Nc1ncc(-c2cn(CCO)nn2)s1)[C@@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1	ZINC000169326325	562857773	/nfs/dbraw/zinc/85/77/73/562857773.db2.gz	CGDJOWCIDUPLCY-FQEVSTJZSA-N	0	0	531.660	2.869	1	0		KFAFRN
O=C(Nc1ncc(-c2cn(CCO)nn2)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1	ZINC000169326327	562857813	/nfs/dbraw/zinc/85/78/13/562857813.db2.gz	CGDJOWCIDUPLCY-HXUWFJFHSA-N	0	0	531.660	2.869	1	0		KFAFRN
CC(C)(C)CNC(=O)C[C@H](NC(=O)CN1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1	ZINC000169326850	562857832	/nfs/dbraw/zinc/85/78/32/562857832.db2.gz	WNBZBKQSQOLXGL-NSOVKSMOSA-N	0	0	577.770	2.944	1	0		KFAFRN
Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](Cc2ccncc2)C(=O)NCc2ccccc2Cl)no1	ZINC000169326884	562857890	/nfs/dbraw/zinc/85/78/90/562857890.db2.gz	KNMXOBLXBVMAIQ-GOTSBHOMSA-N	0	0	583.089	2.726	1	0		KFAFRN
CC(C)C[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C	ZINC000169327815	562858174	/nfs/dbraw/zinc/85/81/74/562858174.db2.gz	LHWDLWLYAJZNEF-WFUXQDQOSA-N	0	0	712.933	2.548	1	0		KFAFRN
Cc1nnc(SCC2=C(C(=O)O[C@@H]3OC(=O)c4ccccc43)N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccccc4)[C@H]3SC2)s1	ZINC000169328659	562858402	/nfs/dbraw/zinc/85/84/02/562858402.db2.gz	DGJNKXLKBRSWRE-CQRKEVOWSA-N	0	0	609.711	2.705	1	0		KFAFRN
Cc1nnc(SCC2=C(C(=O)O[C@H]3OC(=O)c4ccccc43)N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccccc4)[C@H]3SC2)s1	ZINC000169328661	562858400	/nfs/dbraw/zinc/85/84/00/562858400.db2.gz	DGJNKXLKBRSWRE-SMSYUXSASA-N	0	0	609.711	2.705	1	0		KFAFRN
Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccccc2Cl)no1	ZINC000169329238	562858465	/nfs/dbraw/zinc/85/84/65/562858465.db2.gz	XRASFZQHAQLDPI-GOTSBHOMSA-N	0	0	583.089	2.726	1	0		KFAFRN
CCCNC(=O)C[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C)cc1	ZINC000169329243	562858460	/nfs/dbraw/zinc/85/84/60/562858460.db2.gz	BUXVJGJOAHUMIP-DQEYMECFSA-N	0	0	547.656	2.740	1	0		KFAFRN
Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccc(C)cc2)no1	ZINC000169329244	562858464	/nfs/dbraw/zinc/85/84/64/562858464.db2.gz	ZDGROTDFQDCDRT-UIOOFZCWSA-N	0	0	561.683	2.986	1	0		KFAFRN
CCOC(=O)n1c(=O)nc2c3c(-c4ccc(Br)cc4)cn(-c4ccc(S(N)(=O)=O)cc4)c3ncn21	ZINC000169330469	562858687	/nfs/dbraw/zinc/85/86/87/562858687.db2.gz	WGWHUBDOVKDBSM-UHFFFAOYSA-N	0	0	557.386	2.916	1	0		KFAFRN
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC000169331127	562858888	/nfs/dbraw/zinc/85/88/88/562858888.db2.gz	XTEOCWMPCKJLAB-FFXRMZKPSA-N	0	0	625.829	2.627	1	0		KFAFRN
CCOc1ccc(C(=O)OC[C@H]2O[C@@H]3[C@H](Oc4nc(=N)ccn43)[C@@H]2OC(=O)c2ccc(OCC)cc2)cc1	ZINC000169331672	562859052	/nfs/dbraw/zinc/85/90/52/562859052.db2.gz	SESZBFMONHRKHM-MSNJVRRCSA-N	0	0	521.526	2.901	1	0		KFAFRN
COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O)COC1=O	ZINC000169332087	562859100	/nfs/dbraw/zinc/85/91/00/562859100.db2.gz	LMBQTGJDJLTHRF-ZCDCQGGYSA-N	0	0	596.541	2.883	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O	ZINC000169332624	562859185	/nfs/dbraw/zinc/85/91/85/562859185.db2.gz	POEPROHXWZELFO-OJCMHAEVSA-N	0	0	639.753	2.600	1	0		KFAFRN
CCOC(=O)CC[C@@H](NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2C)cc1)C(=O)OCC	ZINC000169333764	562859381	/nfs/dbraw/zinc/85/93/81/562859381.db2.gz	HOQQAXQHWMZNQW-HXUWFJFHSA-N	0	0	509.563	2.843	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(c(O[C@@H]5O[C@H]6CO[C@@H](c7cccs7)O[C@H]6[C@H](O)[C@@H]5O)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000169336232	562859818	/nfs/dbraw/zinc/85/98/18/562859818.db2.gz	WXBDXZCDXFWKHM-OCZKWVFISA-N	0	0	656.662	2.617	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000169338395	562860248	/nfs/dbraw/zinc/86/02/48/562860248.db2.gz	SASQRIFIIMNBRU-OJFQBZSLSA-N	0	0	513.459	2.604	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000169338397	562860230	/nfs/dbraw/zinc/86/02/30/562860230.db2.gz	SASQRIFIIMNBRU-FRWGAITPSA-N	0	0	513.459	2.604	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000169338399	562860224	/nfs/dbraw/zinc/86/02/24/562860224.db2.gz	MQRGEINMRSRVOQ-ARGKLFMKSA-N	0	0	527.486	2.994	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000169338400	562860244	/nfs/dbraw/zinc/86/02/44/562860244.db2.gz	MQRGEINMRSRVOQ-JPTRONECSA-N	0	0	527.486	2.994	1	0		KFAFRN
CCCS(=O)(=O)Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)cnc1OC	ZINC000169338510	562860263	/nfs/dbraw/zinc/86/02/63/562860263.db2.gz	FILXTORXAZXJAM-VQHVLOKHSA-N	0	0	500.595	2.853	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3cnccn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000169338921	562860351	/nfs/dbraw/zinc/86/03/51/562860351.db2.gz	PLQTXFUEXYGXOZ-KKWLSJBDSA-N	0	0	506.467	2.761	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cnc(C)cn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000169338936	562860330	/nfs/dbraw/zinc/86/03/30/562860330.db2.gz	ILQULDLODIJBCF-CPUMGYLUSA-N	0	0	519.510	2.642	1	0		KFAFRN
Cc1c(NS(C)(=O)=O)cccc1-c1nc2nc[nH]c2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1	ZINC000169341187	562860745	/nfs/dbraw/zinc/86/07/45/562860745.db2.gz	WJVSFCXESWVWOS-UHFFFAOYSA-N	0	0	507.576	2.916	1	0		KFAFRN
CS(=O)(=O)CCOc1cnc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1Nc1ccncc1C(N)=O	ZINC000169341691	562860882	/nfs/dbraw/zinc/86/08/82/562860882.db2.gz	FFVPQWXBEUUBMF-UHFFFAOYSA-N	0	0	551.604	2.677	1	0	in-vitro	KFAFRN
COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1F)Oc1cccc2ccccc21	ZINC000169343499	562861166	/nfs/dbraw/zinc/86/11/66/562861166.db2.gz	BVYWHICNZQTJOS-JNFMVBKCSA-N	0	0	535.465	2.979	1	0		KFAFRN
COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1F)Oc1cccc2ccccc21	ZINC000169343500	562861190	/nfs/dbraw/zinc/86/11/90/562861190.db2.gz	BVYWHICNZQTJOS-IOKFBRJFSA-N	0	0	535.465	2.979	1	0		KFAFRN
Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)N[C@@H](C)C(=O)OCC(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000169343519	562861173	/nfs/dbraw/zinc/86/11/73/562861173.db2.gz	OFMPZYYOYHVFOM-WKWVNEEDSA-N	0	0	606.629	2.730	1	0		KFAFRN
COCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000169343951	562861307	/nfs/dbraw/zinc/86/13/07/562861307.db2.gz	HOZHNHILHIGHLO-UHFFFAOYSA-N	0	0	528.631	2.711	1	0		KFAFRN
CNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](C(=O)[O-])C2)c(Cl)c1	ZINC000169344110	562861315	/nfs/dbraw/zinc/86/13/15/562861315.db2.gz	CIRUTWSJCAALLH-OAQYLSRUSA-N	0	0	506.434	2.988	1	0		KFAFRN
Nc1nc2n(ccn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1	ZINC000169347055	562861892	/nfs/dbraw/zinc/86/18/92/562861892.db2.gz	BWDTVZCOYGGRAE-ZGFBMJKBSA-N	0	0	595.568	2.679	1	0		KFAFRN
CNC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)cn1	ZINC000169347339	562861934	/nfs/dbraw/zinc/86/19/34/562861934.db2.gz	CHMGBVVGADXKDR-OAQYLSRUSA-N	0	0	662.569	2.829	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)C3CCCCC3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000169347943	562862092	/nfs/dbraw/zinc/86/20/92/562862092.db2.gz	QRVZSHOSWRVEJY-HXUWFJFHSA-N	0	0	587.621	2.862	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3ccccc3F)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000169348348	562862148	/nfs/dbraw/zinc/86/21/48/562862148.db2.gz	FIIHQXRCSPPALW-LJQANCHMSA-N	0	0	599.563	2.727	1	0		KFAFRN
Cc1nc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)ccc1N1CC[C@@H](O)C1=O	ZINC000169348902	562862383	/nfs/dbraw/zinc/86/23/83/562862383.db2.gz	ZDNJKGWFPVYMHU-LJQANCHMSA-N	0	0	531.400	2.783	1	0		KFAFRN
Cc1nc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)ccc1N1CC[C@H](O)C1=O	ZINC000169348903	562862376	/nfs/dbraw/zinc/86/23/76/562862376.db2.gz	ZDNJKGWFPVYMHU-IBGZPJMESA-N	0	0	531.400	2.783	1	0		KFAFRN
CCOCCN(C[C@@H](O)CN1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1	ZINC000169348923	562862388	/nfs/dbraw/zinc/86/23/88/562862388.db2.gz	UBGPQKGLZLBDPE-HFZDXXHNSA-N	0	0	553.077	2.934	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000169349340	562862507	/nfs/dbraw/zinc/86/25/07/562862507.db2.gz	YWGCNEJCSAXMKQ-HXUWFJFHSA-N	0	0	581.573	2.588	1	0		KFAFRN
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O	ZINC000169349534	562862662	/nfs/dbraw/zinc/86/26/62/562862662.db2.gz	HMZWVQZWNCKGKQ-GASGPIRDSA-N	0	0	810.093	2.609	1	0		KFAFRN
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O	ZINC000169349535	562862671	/nfs/dbraw/zinc/86/26/71/562862671.db2.gz	HMZWVQZWNCKGKQ-IHZBLBIESA-N	0	0	810.093	2.609	1	0		KFAFRN
CCOC(=O)Cn1nc(-n2cc(COc3cc(C(F)(F)F)nc(N)n3)nn2)c2ccc(C(F)(F)F)nc21	ZINC000169351941	562863006	/nfs/dbraw/zinc/86/30/06/562863006.db2.gz	QWPPJCVULQOLMM-UHFFFAOYSA-N	0	0	531.377	2.564	1	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C3=N1	ZINC000169354416	562863658	/nfs/dbraw/zinc/86/36/58/562863658.db2.gz	CKUBYPULUAJABF-IRPSRAIASA-N	0	0	549.580	2.603	1	0		KFAFRN
CCC/C=C\c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(CCOCOC)nn3)CCS2(=O)=O)cc1	ZINC000169355883	562863795	/nfs/dbraw/zinc/86/37/95/562863795.db2.gz	VRRWYDBMLCABBC-UTBBOMKLSA-N	0	0	533.695	2.911	1	0		KFAFRN
COc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1	ZINC000169356506	562863842	/nfs/dbraw/zinc/86/38/42/562863842.db2.gz	QNJXVZRKQYJJKA-HXUWFJFHSA-N	0	0	599.563	2.727	1	0		KFAFRN
CC(=O)O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC/C1=C/[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/c2cn(C)cn2)[C@]2(C)C=C[C@@]1(O)O2	ZINC000169356603	562863855	/nfs/dbraw/zinc/86/38/55/562863855.db2.gz	WRPLJTYNAMMOEE-TXILBGFKSA-N	0	0	642.746	2.590	1	0		KFAFRN
CC(=O)O[C@@]12CO[C@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@@H](O)[C@@H](NC(=O)NC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000169358717	562864008	/nfs/dbraw/zinc/86/40/08/562864008.db2.gz	FWMWUBYABDNYGG-FURSXLEPSA-N	0	0	806.906	2.833	1	0		KFAFRN
CC(=O)CCCC[C@H](C)[C@@H]1C[C@H](O)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000169363861	562864375	/nfs/dbraw/zinc/86/43/75/562864375.db2.gz	AOQQOEQINNPMNK-GXEQYYCMSA-N	0	0	500.636	2.803	1	0		KFAFRN
CC(=O)CCCC[C@H](C)[C@@H]1C[C@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000169363862	562864376	/nfs/dbraw/zinc/86/43/76/562864376.db2.gz	AOQQOEQINNPMNK-KSHBVLPDSA-N	0	0	500.636	2.803	1	0		KFAFRN
CC(=O)CCCC[C@H](C)[C@@H]1C[C@@H](O)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000169363863	562864369	/nfs/dbraw/zinc/86/43/69/562864369.db2.gz	AOQQOEQINNPMNK-XCZWOSOOSA-N	0	0	500.636	2.803	1	0		KFAFRN
CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(N)=O)C(C)C	ZINC000169366186	562864472	/nfs/dbraw/zinc/86/44/72/562864472.db2.gz	LVNIPNSGVDFGFP-NEPFPANBSA-N	0	0	568.715	2.822	1	0		KFAFRN
CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(N)=O)C(C)C	ZINC000169366188	562864471	/nfs/dbraw/zinc/86/44/71/562864471.db2.gz	LVNIPNSGVDFGFP-SGFIESEYSA-N	0	0	568.715	2.822	1	0		KFAFRN
CCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccccc1	ZINC000169366510	562864496	/nfs/dbraw/zinc/86/44/96/562864496.db2.gz	YDQBBEVGBOZATK-NRBMZYQJSA-N	0	0	507.480	2.824	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]21)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000169367533	562864581	/nfs/dbraw/zinc/86/45/81/562864581.db2.gz	OOHJDEZERJEPJL-CLAUNVQKSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000169367534	562864587	/nfs/dbraw/zinc/86/45/87/562864587.db2.gz	OOHJDEZERJEPJL-GOUAWSLTSA-N	0	0	596.677	2.935	1	0		KFAFRN
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21)O[C@H]1CO[C@@H]2OCC[C@H]12	ZINC000169367535	562864579	/nfs/dbraw/zinc/86/45/79/562864579.db2.gz	OOHJDEZERJEPJL-SGFUFKICSA-N	0	0	596.677	2.935	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000169369641	562864716	/nfs/dbraw/zinc/86/47/16/562864716.db2.gz	BINXAIIXOUQUKC-JSLVBRCRSA-N	0	0	562.685	2.802	1	0		KFAFRN
CCC[C@H](N)C(=O)O[C@H]1C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C	ZINC000169371800	562864801	/nfs/dbraw/zinc/86/48/01/562864801.db2.gz	BVUPHUGBMXXKDB-MTZIFDHZSA-N	0	0	556.656	2.721	1	0		KFAFRN
CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C	ZINC000169371802	562864808	/nfs/dbraw/zinc/86/48/08/562864808.db2.gz	BVUPHUGBMXXKDB-GKQFWCNGSA-N	0	0	556.656	2.721	1	0		KFAFRN
CCO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)C[C@H]1C(CO)=CC[C@H](C(C)C)[C@H]1/C=C\2CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O	ZINC000169373621	562864907	/nfs/dbraw/zinc/86/49/07/562864907.db2.gz	WGMACPOHVHGNET-GJELWXEWSA-N	0	0	686.799	2.607	1	0		KFAFRN
CCCCc1ccc(Nc2nc3c(ncn3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(=O)[nH]2)cc1	ZINC000169456554	562864919	/nfs/dbraw/zinc/86/49/19/562864919.db2.gz	NNPBZEQXDPRIPV-XBZNOJLSSA-N	0	0	541.561	2.530	1	0		KFAFRN
CCCCc1ccc(Nc2nc3c(ncn3[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]2)cc1	ZINC000169654264	562864966	/nfs/dbraw/zinc/86/49/66/562864966.db2.gz	NNPBZEQXDPRIPV-PTGPVQHPSA-N	0	0	541.561	2.530	1	0		KFAFRN
COc1cc(C(=O)NCCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000169675114	562864997	/nfs/dbraw/zinc/86/49/97/562864997.db2.gz	MGAYCIZNMKMPMT-UHFFFAOYSA-N	0	0	728.796	2.656	1	0		KFAFRN
COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cn(C)c(=O)n(C)c2=O)C3=O)c(OC)n1	ZINC000169685073	562865026	/nfs/dbraw/zinc/86/50/26/562865026.db2.gz	SQGXSNGEAONPIY-LJQANCHMSA-N	0	0	551.991	2.739	1	0		KFAFRN
COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cn(C)c(=O)n(C)c2=O)C3=O)c(OC)n1	ZINC000169685074	562865030	/nfs/dbraw/zinc/86/50/30/562865030.db2.gz	SQGXSNGEAONPIY-IBGZPJMESA-N	0	0	551.991	2.739	1	0		KFAFRN
O=C(NC[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)c(Cl)c2)C(=O)O1)c1ccc(Cl)s1	ZINC000169685118	562865051	/nfs/dbraw/zinc/86/50/51/562865051.db2.gz	YIOYBSKHJXPYAY-ZDUSSCGKSA-N	0	0	520.416	2.831	1	0		KFAFRN
CC(CO)(CO)n1cc(C(=O)c2cncc(NC(=O)c3cccc(OC(F)(F)F)c3)c2)c2cncnc21	ZINC000169686157	562865032	/nfs/dbraw/zinc/86/50/32/562865032.db2.gz	HBOJNNBAMQNZBI-UHFFFAOYSA-N	0	0	515.448	2.908	1	0		KFAFRN
CS(=O)(=O)c1cccc(CC(=O)Nc2cncc(C(=O)c3cn(C45CC(C4)C5)c4nc(N)ncc34)c2)c1	ZINC000169686344	562865133	/nfs/dbraw/zinc/86/51/33/562865133.db2.gz	WBTWWHUSRQLIJI-UHFFFAOYSA-N	0	0	516.583	2.733	1	0		KFAFRN
O=C1N(c2ccc(OC(F)(F)F)cc2)CC[C@]12CCN(S(=O)(=O)c1cccnc1Cl)C[C@@H]2O	ZINC000169694062	562865145	/nfs/dbraw/zinc/86/51/45/562865145.db2.gz	GVXGNEDHEKXWSX-LPHOPBHVSA-N	0	0	505.902	2.812	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000169694126	562865222	/nfs/dbraw/zinc/86/52/22/562865222.db2.gz	ZOGLSPIRSGZLEA-KYPHJKQUSA-N	0	0	726.691	2.824	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2C[C@H]3OCO[C@@H]3C2)cc1	ZINC000169694234	562865212	/nfs/dbraw/zinc/86/52/12/562865212.db2.gz	YKVBPHPKLLRHIO-FICKONGGSA-N	0	0	562.685	2.944	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2C[C@H]3OCOCO[C@@H]3C2)cc1	ZINC000169694235	562865231	/nfs/dbraw/zinc/86/52/31/562865231.db2.gz	DDTIHKFPDRADGZ-KUXCXQDQSA-N	0	0	592.711	2.918	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2C[C@H]3OCCO[C@@H]3C2)cc1	ZINC000169694236	562865229	/nfs/dbraw/zinc/86/52/29/562865229.db2.gz	JRXDKTCILCAIFM-KUXCXQDQSA-N	0	0	576.712	2.987	1	0		KFAFRN
COc1ccc(Cl)cc1/C=C1\CNC(=O)CN(S(=O)(=O)c2cc(F)c(Cl)cc2OC)C1=O	ZINC000169694304	562865256	/nfs/dbraw/zinc/86/52/56/562865256.db2.gz	NAJMVTNTXLQRLT-LFYBBSHMSA-N	0	0	503.335	2.880	1	0		KFAFRN
O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)s2)s1)[C@@H]1CCCN1C(=O)C(F)(F)F	ZINC000169697674	562866556	/nfs/dbraw/zinc/86/65/56/562866556.db2.gz	ZZJZCVLUKVARTG-RYUDHWBXSA-N	0	0	674.675	2.892	1	0		KFAFRN
CC(=O)OCC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	ZINC000169697682	562866552	/nfs/dbraw/zinc/86/65/52/562866552.db2.gz	GUJUSFOVZOGXOZ-UHFFFAOYSA-N	0	0	506.635	2.591	1	0		KFAFRN
CC(=O)OC(C)(C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(C)(C)OC(C)=O)s2)s1	ZINC000169697818	562866629	/nfs/dbraw/zinc/86/66/29/562866629.db2.gz	KMJDLXQJMGCWRG-UHFFFAOYSA-N	0	0	512.614	2.515	1	0		KFAFRN
Cc1cc(C)n(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cn4nc(C)cc4C)s3)s2)n1	ZINC000169697819	562866644	/nfs/dbraw/zinc/86/66/44/562866644.db2.gz	IYQPUWGTPHNOTB-UHFFFAOYSA-N	0	0	560.735	2.812	1	0		KFAFRN
O=C(Nc1nnc(CCSCCc2nnc(NC(=O)C3CCOCC3)s2)s1)C1CCOCC1	ZINC000169697834	562866635	/nfs/dbraw/zinc/86/66/35/562866635.db2.gz	VBFYKHFDRNBIPZ-UHFFFAOYSA-N	0	0	512.683	2.638	1	0		KFAFRN
C[C@]1(C(=O)Nc2nnc(CCSCCc3nnc(NC(=O)[C@]4(C)CCCO4)s3)s2)CCCO1	ZINC000169697863	562866673	/nfs/dbraw/zinc/86/66/73/562866673.db2.gz	YSIYDCOESGGVCR-BGYRXZFFSA-N	0	0	512.683	2.923	1	0		KFAFRN
C[C@]1(C(=O)Nc2nnc(CCSCCc3nnc(NC(=O)[C@@]4(C)CCCO4)s3)s2)CCCO1	ZINC000169697864	562866671	/nfs/dbraw/zinc/86/66/71/562866671.db2.gz	YSIYDCOESGGVCR-WOJBJXKFSA-N	0	0	512.683	2.923	1	0		KFAFRN
C[C@@]1(C(=O)Nc2nnc(CCSCCc3nnc(NC(=O)[C@]4(C)CCCO4)s3)s2)CCCO1	ZINC000169697865	562866686	/nfs/dbraw/zinc/86/66/86/562866686.db2.gz	YSIYDCOESGGVCR-PMACEKPBSA-N	0	0	512.683	2.923	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@@H](O)Cc3ccccc3)s2)s1)[C@@H](O)Cc1ccccc1	ZINC000169697934	562866729	/nfs/dbraw/zinc/86/67/29/562866729.db2.gz	KKEBTJVRIMEBEF-OALUTQOASA-N	0	0	538.655	2.649	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@@H](O)Cc3ccccc3)s2)s1)[C@H](O)Cc1ccccc1	ZINC000169697935	562866730	/nfs/dbraw/zinc/86/67/30/562866730.db2.gz	KKEBTJVRIMEBEF-KDURUIRLSA-N	0	0	538.655	2.649	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@H](O)Cc3ccccc3)s2)s1)[C@H](O)Cc1ccccc1	ZINC000169697936	562866749	/nfs/dbraw/zinc/86/67/49/562866749.db2.gz	KKEBTJVRIMEBEF-RTBURBONSA-N	0	0	538.655	2.649	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@@H](O)c3ccccc3)s2)s1)[C@@H](O)c1ccccc1	ZINC000169697940	562866747	/nfs/dbraw/zinc/86/67/47/562866747.db2.gz	KOSLWWCPUXUTQB-OALUTQOASA-N	0	0	510.601	2.909	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@@H](O)c3ccccc3)s2)s1)[C@H](O)c1ccccc1	ZINC000169697941	562866750	/nfs/dbraw/zinc/86/67/50/562866750.db2.gz	KOSLWWCPUXUTQB-KDURUIRLSA-N	0	0	510.601	2.909	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)s1)[C@H](O)c1ccccc1	ZINC000169697942	562866733	/nfs/dbraw/zinc/86/67/33/562866733.db2.gz	KOSLWWCPUXUTQB-RTBURBONSA-N	0	0	510.601	2.909	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1)[C@@H](CO)c1ccccc1	ZINC000169697948	562866737	/nfs/dbraw/zinc/86/67/37/562866737.db2.gz	NREZWDUWECZUOI-OALUTQOASA-N	0	0	538.655	2.994	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)[C@@H](CO)c1ccccc1	ZINC000169697949	562866745	/nfs/dbraw/zinc/86/67/45/562866745.db2.gz	NREZWDUWECZUOI-KDURUIRLSA-N	0	0	538.655	2.994	1	0		KFAFRN
O=C(Nc1nnc(CCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)[C@H](CO)c1ccccc1	ZINC000169697950	562866728	/nfs/dbraw/zinc/86/67/28/562866728.db2.gz	NREZWDUWECZUOI-RTBURBONSA-N	0	0	538.655	2.994	1	0		KFAFRN
O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)[C@@](O)(CO)c3ccccc3)s2)s1	ZINC000169698142	562866916	/nfs/dbraw/zinc/86/69/16/562866916.db2.gz	GRFWYLVZOPHMDN-RUZDIDTESA-N	0	0	538.655	2.955	1	0		KFAFRN
O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)[C@](O)(CO)c3ccccc3)s2)s1	ZINC000169698143	562866936	/nfs/dbraw/zinc/86/69/36/562866936.db2.gz	GRFWYLVZOPHMDN-VWLOTQADSA-N	0	0	538.655	2.955	1	0		KFAFRN
COc1cc([C@@H](O)C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@@H](O)c4ccc(O)c(OC)c4)s3)s2)ccc1O	ZINC000169698207	562867008	/nfs/dbraw/zinc/86/70/08/562867008.db2.gz	ZMKMZKIPTFIVSS-SZPZYZBQSA-N	0	0	616.678	2.728	1	0		KFAFRN
COc1cc([C@H](O)C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@@H](O)c4ccc(O)c(OC)c4)s3)s2)ccc1O	ZINC000169698208	562867002	/nfs/dbraw/zinc/86/70/02/562867002.db2.gz	ZMKMZKIPTFIVSS-VXKWHMMOSA-N	0	0	616.678	2.728	1	0		KFAFRN
COc1cc([C@@H](O)C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@H](O)c4ccc(O)c(OC)c4)s3)s2)ccc1O	ZINC000169698209	562867017	/nfs/dbraw/zinc/86/70/17/562867017.db2.gz	ZMKMZKIPTFIVSS-FGZHOGPDSA-N	0	0	616.678	2.728	1	0		KFAFRN
O=C(Cc1cccc(OC(CO)CO)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1	ZINC000169698420	562867228	/nfs/dbraw/zinc/86/72/28/562867228.db2.gz	QYWDXJBAAQKTMG-UHFFFAOYSA-N	0	0	576.679	2.988	1	0		KFAFRN
CC(CO)(CO)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1	ZINC000169698517	562867319	/nfs/dbraw/zinc/86/73/19/562867319.db2.gz	MYMAWBIYIJQNTI-UHFFFAOYSA-N	0	0	631.759	2.863	1	0		KFAFRN
COc1ccc(CCOC(=O)[C@@H]([NH3+])C(C)C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC000169699237	562867539	/nfs/dbraw/zinc/86/75/39/562867539.db2.gz	SQWGXGDJFLQGJM-QHCPKHFHSA-N	0	0	553.645	2.985	1	0		KFAFRN
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N[C@@H](CCC(=O)OC[C@@H](O)CO)C(=O)OC[C@@H](O)CO)c[nH]4)c3)cc2)c1	ZINC000169699245	562867537	/nfs/dbraw/zinc/86/75/37/562867537.db2.gz	YWRHVQGWNLYKOE-QONNDPFASA-N	0	0	723.711	2.632	1	0		KFAFRN
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N[C@@H](CCC(=O)OC[C@H](O)CO)C(=O)OC[C@@H](O)CO)c[nH]4)c3)cc2)c1	ZINC000169699246	562867545	/nfs/dbraw/zinc/86/75/45/562867545.db2.gz	YWRHVQGWNLYKOE-NYULUDCUSA-N	0	0	723.711	2.632	1	0		KFAFRN
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N[C@@H](CCC(=O)OC[C@@H](O)CO)C(=O)OC[C@H](O)CO)c[nH]4)c3)cc2)c1	ZINC000169699247	562867535	/nfs/dbraw/zinc/86/75/35/562867535.db2.gz	YWRHVQGWNLYKOE-JPYHZWLXSA-N	0	0	723.711	2.632	1	0		KFAFRN
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N[C@@H](CCC(=O)OC[C@H](O)CO)C(=O)OC[C@H](O)CO)c[nH]4)c3)cc2)c1	ZINC000169699248	562867534	/nfs/dbraw/zinc/86/75/34/562867534.db2.gz	YWRHVQGWNLYKOE-GKAFBRTNSA-N	0	0	723.711	2.632	1	0		KFAFRN
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OCC(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1	ZINC000169701292	562868025	/nfs/dbraw/zinc/86/80/25/562868025.db2.gz	GXMLVJFGVGKPLH-IZEXYCQBSA-N	0	0	736.867	2.960	1	0		KFAFRN
Cc1ccc2c(c1)nc(C(=O)NCC(=O)N1CCN(C(=O)OCCC(F)(F)F)CC1)cc2OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1	ZINC000169701300	562868019	/nfs/dbraw/zinc/86/80/19/562868019.db2.gz	YUFSRINASKPLEY-VWLOTQADSA-N	0	0	676.693	2.545	1	0		KFAFRN
CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)C1=O	ZINC000169701581	562868074	/nfs/dbraw/zinc/86/80/74/562868074.db2.gz	XVHBFKBJMOUAGF-GCJCAGDSSA-N	0	0	663.841	2.732	1	0		KFAFRN
CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCC(F)(F)F	ZINC000169701793	562868099	/nfs/dbraw/zinc/86/80/99/562868099.db2.gz	JRASUARTJFBVTC-UHFFFAOYSA-N	0	0	533.515	2.790	1	0		KFAFRN
CC(C)(O)CNC(=O)c1nc([C@@H]2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1	ZINC000169701800	562868105	/nfs/dbraw/zinc/86/81/05/562868105.db2.gz	DAYAIFXDFYNWBA-FQEVSTJZSA-N	0	0	518.578	2.887	1	0		KFAFRN
CC(C)(O)CNC(=O)c1nc([C@H]2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1	ZINC000169701801	562868100	/nfs/dbraw/zinc/86/81/00/562868100.db2.gz	DAYAIFXDFYNWBA-HXUWFJFHSA-N	0	0	518.578	2.887	1	0		KFAFRN
COCCOc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)c1	ZINC000169701834	562868134	/nfs/dbraw/zinc/86/81/34/562868134.db2.gz	CWDCYIBINSDARD-UHFFFAOYSA-N	0	0	521.578	2.666	1	0		KFAFRN
Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000169701853	562868117	/nfs/dbraw/zinc/86/81/17/562868117.db2.gz	WUJYMZGAKRJNHQ-MRXNPFEDSA-N	0	0	548.608	2.613	1	0		KFAFRN
Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000169701854	562868167	/nfs/dbraw/zinc/86/81/67/562868167.db2.gz	WUJYMZGAKRJNHQ-INIZCTEOSA-N	0	0	548.608	2.613	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ncc(Br)cc2F)CC1)C(=O)C(=O)NC1CC1	ZINC000169702105	562868192	/nfs/dbraw/zinc/86/81/92/562868192.db2.gz	MGFZLEVVYSLEAX-QMMLZNLJSA-N	0	0	683.984	2.854	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1)C(=O)C(=O)NC1CC1	ZINC000169702107	562868197	/nfs/dbraw/zinc/86/81/97/562868197.db2.gz	VZTRAYHUTKYOCB-QMMLZNLJSA-N	0	0	639.533	2.745	1	0		KFAFRN
CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NCCOC	ZINC000169702133	562868210	/nfs/dbraw/zinc/86/82/10/562868210.db2.gz	KIDPFKMKRUSRRX-PUHATCMVSA-N	0	0	638.570	2.695	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1)C(=O)C(=O)NC1CC1	ZINC000169702137	562868238	/nfs/dbraw/zinc/86/82/38/562868238.db2.gz	ZZPFZJXGGZUTHR-JZWVFAODSA-N	0	0	653.560	2.991	1	0		KFAFRN
CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=C2C=CC=C[C@@H]2CC=C1)NC(=O)N1CCOCC1)C(N)=O)S(=O)(=O)c1ccc(N)cc1	ZINC000169702519	562868434	/nfs/dbraw/zinc/86/84/34/562868434.db2.gz	APYXBOBBAAJAOP-IUNZSJPTSA-N	0	0	668.861	2.855	1	0		KFAFRN
CC(C)CN([C@H](CCCCNC(=O)[C@H](CC1=C2C=CC=C[C@@H]2CC=C1)NC(=O)N1CCOCC1)C(N)=O)S(=O)(=O)c1ccc(N)cc1	ZINC000169702520	562868416	/nfs/dbraw/zinc/86/84/16/562868416.db2.gz	APYXBOBBAAJAOP-SDDUWZMOSA-N	0	0	668.861	2.855	1	0		KFAFRN
CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)C1=NC[C@@H](C)N=C1)S(=O)(=O)c1ccc(N)cc1	ZINC000169702529	562868452	/nfs/dbraw/zinc/86/84/52/562868452.db2.gz	MCCDIFLUKQLVFZ-ATILKMQGSA-N	0	0	691.693	2.967	1	0		KFAFRN
CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)C1=NC[C@H](C)N=C1)S(=O)(=O)c1ccc(N)cc1	ZINC000169702530	562868460	/nfs/dbraw/zinc/86/84/60/562868460.db2.gz	MCCDIFLUKQLVFZ-ULNCZQIZSA-N	0	0	691.693	2.967	1	0		KFAFRN
C[C@@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCCn4ccnn4)cc3)CC2)CC1	ZINC000169703279	562868684	/nfs/dbraw/zinc/86/86/84/562868684.db2.gz	HVXLKGLWRYLXLH-JOCHJYFZSA-N	0	0	503.651	2.866	1	0		KFAFRN
C[C@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCCn4ccnn4)cc3)CC2)CC1	ZINC000169703280	562868668	/nfs/dbraw/zinc/86/86/68/562868668.db2.gz	HVXLKGLWRYLXLH-QFIPXVFZSA-N	0	0	503.651	2.866	1	0		KFAFRN
CC[C@@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCn4ccnn4)cc3)CC2)CC1	ZINC000169703283	562868663	/nfs/dbraw/zinc/86/86/63/562868663.db2.gz	WKHWCLMRUHFOPT-HSZRJFAPSA-N	0	0	503.651	2.866	1	0		KFAFRN
CC[C@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCn4ccnn4)cc3)CC2)CC1	ZINC000169703284	562868685	/nfs/dbraw/zinc/86/86/85/562868685.db2.gz	WKHWCLMRUHFOPT-QHCPKHFHSA-N	0	0	503.651	2.866	1	0		KFAFRN
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(N)(=O)=O)cc2)CC1	ZINC000169703333	562868702	/nfs/dbraw/zinc/86/87/02/562868702.db2.gz	OTVBHAAUANCTTG-UHFFFAOYSA-N	0	0	500.547	2.952	1	0		KFAFRN
COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2cc(N)nc(C)n2)cc1F	ZINC000169703345	562868703	/nfs/dbraw/zinc/86/87/03/562868703.db2.gz	COQMBKRHZBUCMI-LSDHHAIUSA-N	0	0	530.630	2.742	1	0		KFAFRN
COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cn(C)c(=O)n(C)c1=O)C2=O	ZINC000169705675	562869570	/nfs/dbraw/zinc/86/95/70/562869570.db2.gz	HXHBHQAZNMPLLS-HXUWFJFHSA-N	0	0	565.034	2.796	1	0		KFAFRN
COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cn(C)c(=O)n(C)c1=O)C2=O	ZINC000169705676	562869578	/nfs/dbraw/zinc/86/95/78/562869578.db2.gz	HXHBHQAZNMPLLS-FQEVSTJZSA-N	0	0	565.034	2.796	1	0		KFAFRN
CN(C)S(=O)(=O)[C@@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(Cl)c(F)c2)nn3C)C1	ZINC000169706086	562869877	/nfs/dbraw/zinc/86/98/77/562869877.db2.gz	IMRHJXOHXUVYEY-CQSZACIVSA-N	0	0	519.006	2.693	1	0		KFAFRN
CN(C)S(=O)(=O)[C@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(Cl)c(F)c2)nn3C)C1	ZINC000169706087	562869861	/nfs/dbraw/zinc/86/98/61/562869861.db2.gz	IMRHJXOHXUVYEY-AWEZNQCLSA-N	0	0	519.006	2.693	1	0		KFAFRN
CN(C)S(=O)(=O)[C@@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1	ZINC000169706093	562869873	/nfs/dbraw/zinc/86/98/73/562869873.db2.gz	IPKPLXKSYOPZPN-LJQANCHMSA-N	0	0	506.636	2.778	1	0		KFAFRN
CN(C)S(=O)(=O)[C@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1	ZINC000169706094	562869851	/nfs/dbraw/zinc/86/98/51/562869851.db2.gz	IPKPLXKSYOPZPN-IBGZPJMESA-N	0	0	506.636	2.778	1	0		KFAFRN
CC(CO)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c2)c2cncnc21	ZINC000169707796	562870170	/nfs/dbraw/zinc/87/01/70/562870170.db2.gz	PABSEYNOLJKRCA-UHFFFAOYSA-N	0	0	513.476	2.957	1	0		KFAFRN
CC(CO)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cncnc21	ZINC000169707798	562870147	/nfs/dbraw/zinc/87/01/47/562870147.db2.gz	ZEQKVUYNNYBTTN-UHFFFAOYSA-N	0	0	513.476	2.957	1	0		KFAFRN
O=C(Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1)c1cccc(OC(F)(F)F)c1	ZINC000169707828	562870167	/nfs/dbraw/zinc/87/01/67/562870167.db2.gz	AQYLVVHKTMNDIY-UHFFFAOYSA-N	0	0	501.421	2.734	1	0		KFAFRN
O=C(Cc1ccc(C(F)(F)F)c(F)c1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1	ZINC000169707834	562870149	/nfs/dbraw/zinc/87/01/49/562870149.db2.gz	PIEFYAAXUUMMBU-UHFFFAOYSA-N	0	0	517.439	2.922	1	0		KFAFRN
O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1	ZINC000169707836	562870171	/nfs/dbraw/zinc/87/01/71/562870171.db2.gz	BVMFTTQJGLOESK-UHFFFAOYSA-N	0	0	515.448	2.663	1	0		KFAFRN
O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1	ZINC000169707837	562870168	/nfs/dbraw/zinc/87/01/68/562870168.db2.gz	DEOOXMWHAJXJLX-UHFFFAOYSA-N	0	0	515.448	2.663	1	0		KFAFRN
O=C(Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1)c1cc(F)cc(C(F)(F)F)c1	ZINC000169707838	562870156	/nfs/dbraw/zinc/87/01/56/562870156.db2.gz	IVRVWVSSTBSWBK-UHFFFAOYSA-N	0	0	503.412	2.993	1	0		KFAFRN
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cncc(C(=O)c2cn(C3(CO)COC3)c3ncncc23)c1	ZINC000169707854	562870187	/nfs/dbraw/zinc/87/01/87/562870187.db2.gz	ROIHAGPIUVWMTO-UHFFFAOYSA-N	0	0	511.460	2.975	1	0		KFAFRN
COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cnc(N)nc21	ZINC000169708055	562870212	/nfs/dbraw/zinc/87/02/12/562870212.db2.gz	GNCFDBVUVXZSHL-UHFFFAOYSA-N	0	0	516.484	2.875	1	0		KFAFRN
COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C(F)(F)F)cn3)c2)c2cnc(N)nc21	ZINC000169708057	562870177	/nfs/dbraw/zinc/87/01/77/562870177.db2.gz	ZCDUCLYIJWSQCM-UHFFFAOYSA-N	0	0	516.484	2.875	1	0		KFAFRN
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(F)(F)F)cn3)c2)c2cnc(N)nc21	ZINC000169708066	562870218	/nfs/dbraw/zinc/87/02/18/562870218.db2.gz	IJERLKDAMJMGBO-UHFFFAOYSA-N	0	0	513.480	2.962	1	0		KFAFRN
O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)N1CCN(C(=O)c2cccs2)CC1	ZINC000169708440	562870294	/nfs/dbraw/zinc/87/02/94/562870294.db2.gz	KSYRTHJLBXIEBQ-UHFFFAOYSA-N	0	0	511.648	2.813	1	0		KFAFRN
O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)N1CCN(C(=O)c2ccsc2)CC1	ZINC000169708441	562870301	/nfs/dbraw/zinc/87/03/01/562870301.db2.gz	NTHRGPPXZKXQHD-UHFFFAOYSA-N	0	0	511.648	2.813	1	0		KFAFRN
O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000169708447	562870287	/nfs/dbraw/zinc/87/02/87/562870287.db2.gz	HRBGCQSCHHZQJA-UHFFFAOYSA-N	0	0	505.619	2.752	1	0		KFAFRN
COCC(=O)NC1(C(=O)N[C@H](C)c2ncc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)COC1	ZINC000169710371	562870615	/nfs/dbraw/zinc/87/06/15/562870615.db2.gz	DLSJJMAFUXUBKX-LLVKDONJSA-N	0	0	521.908	2.747	1	0		KFAFRN
Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1	ZINC000169710378	562870631	/nfs/dbraw/zinc/87/06/31/562870631.db2.gz	YSYVCUNONCNAIK-GFCCVEGCSA-N	0	0	558.933	2.543	1	0		KFAFRN
COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)on1	ZINC000169710404	562870658	/nfs/dbraw/zinc/87/06/58/562870658.db2.gz	DDBPJLLSDPDUAU-GFCCVEGCSA-N	0	0	573.944	2.849	1	0		KFAFRN
COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(F)c4-c4nnn(C)n4)cc3F)COC2)cn1	ZINC000169710405	562870653	/nfs/dbraw/zinc/87/06/53/562870653.db2.gz	BQYDRNLLJKBIEI-CYBMUJFWSA-N	0	0	584.971	2.651	1	0		KFAFRN
Cc1nc(C(=O)NCCN(C)S(C)(=O)=O)c(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12	ZINC000169711016	562870762	/nfs/dbraw/zinc/87/07/62/562870762.db2.gz	FTMPDNSCMCEWOF-UHFFFAOYSA-N	0	0	520.611	2.747	1	0		KFAFRN
CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C	ZINC000169713115	562871219	/nfs/dbraw/zinc/87/12/19/562871219.db2.gz	CXHKFZTXXRBAAN-WBAQKLHDSA-N	0	0	565.756	2.821	1	0		KFAFRN
O=C(Cc1ccsc1)N[C@@H]1CCN(C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1	ZINC000195221158	562871563	/nfs/dbraw/zinc/87/15/63/562871563.db2.gz	AXHAIZKISBVMFT-RPWUZVMVSA-N	0	0	513.685	2.733	1	0		KFAFRN
C[C@H](OC(C)(C)C)[C@H](NC(=O)[C@@H]([NH3+])CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000195432844	562871853	/nfs/dbraw/zinc/87/18/53/562871853.db2.gz	FGYNNLAYZOIOEC-QESAQDPVSA-N	0	0	550.697	2.509	1	0		KFAFRN
COc1ccc(C(S[C@@H]2[C@H](O)[C@@H](CO)O[C@@H]2n2ccc(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000195524852	562872196	/nfs/dbraw/zinc/87/21/96/562872196.db2.gz	BXSAVHWCMLTUKC-SATIQFTFSA-N	0	0	562.644	2.898	1	0		KFAFRN
CCOC(=O)/C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	ZINC000195806232	562872339	/nfs/dbraw/zinc/87/23/39/562872339.db2.gz	CAYJBRBGZBCZKO-CCMZQFJOSA-N	0	0	598.672	2.825	1	0		KFAFRN
NC(=O)n1cc(NC(=O)N2CCS[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCO)ccc21	ZINC000200869839	562873438	/nfs/dbraw/zinc/87/34/38/562873438.db2.gz	DOFIVWYENYKCPE-NRFANRHFSA-N	0	0	535.985	2.955	1	0		KFAFRN
CC[C@H](C)[C@@H](COC(=O)C(C)(C)C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000200949209	562873489	/nfs/dbraw/zinc/87/34/89/562873489.db2.gz	CYDMOTSLXRZHDE-HARVQYNGSA-N	0	0	596.618	2.632	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C	ZINC000201125607	562873467	/nfs/dbraw/zinc/87/34/67/562873467.db2.gz	UXNIFTCWMPGHCU-KLSFTZPTSA-N	0	0	640.778	2.625	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)OC2CCCC2)cc1	ZINC000201330270	562873487	/nfs/dbraw/zinc/87/34/87/562873487.db2.gz	HGAIYDOVRVFWKX-ZDCRTTOTSA-N	0	0	703.818	2.871	1	0		KFAFRN
O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000201537280	562873538	/nfs/dbraw/zinc/87/35/38/562873538.db2.gz	JETYKMQJWVKTJR-APYIBEOOSA-N	0	0	540.975	2.671	1	0		KFAFRN
CC(C)(C)OC(=O)N1CC(COc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1	ZINC000201745655	562873566	/nfs/dbraw/zinc/87/35/66/562873566.db2.gz	XDAYPZNILNASKX-RTJMFUJLSA-N	0	0	550.048	2.691	1	0		KFAFRN
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OCCCC3(F)COC3)cc2Cl)cc1	ZINC000201750589	562873558	/nfs/dbraw/zinc/87/35/58/562873558.db2.gz	RQRBSJVEMCAMNY-RTJMFUJLSA-N	0	0	541.012	2.742	1	0		KFAFRN
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1	ZINC000201955486	562873550	/nfs/dbraw/zinc/87/35/50/562873550.db2.gz	QHWIUDMDUCPZKR-UHFFFAOYSA-N	0	0	503.603	2.793	1	0		KFAFRN
O[C@H]1CS[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H]1O	ZINC000202795665	562873933	/nfs/dbraw/zinc/87/39/33/562873933.db2.gz	QMJFSSNSVVHFPD-ITDIGPHOSA-N	0	0	503.753	2.664	1	0		KFAFRN
O=C(c1nn([C@@H]2CCCN(CCN3CCCC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1	ZINC000203561470	562874002	/nfs/dbraw/zinc/87/40/02/562874002.db2.gz	OSLYEXGCLGGXQD-HXUWFJFHSA-N	0	0	563.671	2.678	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1	ZINC000204167071	562874367	/nfs/dbraw/zinc/87/43/67/562874367.db2.gz	GTXOFOIKWLWIBH-MZBJOSPHSA-N	0	0	548.684	2.691	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1	ZINC000204198544	562874377	/nfs/dbraw/zinc/87/43/77/562874377.db2.gz	BPEXHHDUXKPPRN-FKCCAMBISA-N	0	0	536.673	2.923	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1	ZINC000204198863	562874368	/nfs/dbraw/zinc/87/43/68/562874368.db2.gz	BPEXHHDUXKPPRN-WXAIXHMISA-N	0	0	536.673	2.923	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccccc1	ZINC000204198959	562874389	/nfs/dbraw/zinc/87/43/89/562874389.db2.gz	NSERSTSKXVNSRV-BFMBIBTESA-N	0	0	534.657	2.588	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc21)C(C)(C)C)C(=O)C(=O)NCc1ccccc1	ZINC000204202617	562874412	/nfs/dbraw/zinc/87/44/12/562874412.db2.gz	FYDREBBXFPNYIE-QOAWAWRESA-N	0	0	573.694	2.910	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCc1ccccc1	ZINC000204203242	562874401	/nfs/dbraw/zinc/87/44/01/562874401.db2.gz	XFXLHTCKXLMBQJ-CAVYSCNFSA-N	0	0	556.663	2.559	1	0		KFAFRN
Cc1nc(-c2cn3c(n2)-c2cc(C(=O)N4CCN(C(C)(C)CO)CC4)c(F)cc2OCC3)n(C(C)C)n1	ZINC000204430425	562874493	/nfs/dbraw/zinc/87/44/93/562874493.db2.gz	ONWVUZIBAZCOOV-UHFFFAOYSA-N	0	0	511.602	2.758	1	0		KFAFRN
COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCO	ZINC000205031585	562874768	/nfs/dbraw/zinc/87/47/68/562874768.db2.gz	PWDFPEXZAAOPDB-RLWLMLJZSA-N	0	0	560.630	2.953	1	0		KFAFRN
CC(=O)N[C@@H]1[C@@H](F)CN(C(=O)Nc2cn(C(N)=O)c3ccccc23)[C@@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000205038975	562874854	/nfs/dbraw/zinc/87/48/54/562874854.db2.gz	APZWYNIEYJZRJT-DQLDELGASA-N	0	0	532.935	2.736	1	0		KFAFRN
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3ccncc32)[C@@H]1C(=O)NC1(c2cccc(Cl)c2F)CC1	ZINC000205039895	562874844	/nfs/dbraw/zinc/87/48/44/562874844.db2.gz	WUUJRCZATSFRBV-PDIWNELESA-N	0	0	531.947	2.796	1	0		KFAFRN
CC(=O)N[C@@H]1CN(C(=O)Nc2cn(C(N)=O)c3ccccc23)[C@H](C(=O)NCc2cccc(Cl)c2F)[C@H]1F	ZINC000205048112	562874874	/nfs/dbraw/zinc/87/48/74/562874874.db2.gz	SMFZZFKPKSEAKG-QMMLZNLJSA-N	0	0	532.935	2.736	1	0		KFAFRN
COCC[NH2+][C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1	ZINC000205049227	562874858	/nfs/dbraw/zinc/87/48/58/562874858.db2.gz	YDDHITJOPWBNBF-KKSFZXQISA-N	0	0	530.988	2.888	1	0		KFAFRN
NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21	ZINC000205049966	562874884	/nfs/dbraw/zinc/87/48/84/562874884.db2.gz	YUKIFJALTJQQOX-ABAIWWIYSA-N	0	0	511.407	2.751	1	0		KFAFRN
NC(=O)n1cc(CC(=O)N2[C@H]3C[C@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCO)ccc21	ZINC000205051684	562874886	/nfs/dbraw/zinc/87/48/86/562874886.db2.gz	DYOVXSVHWUGKIZ-RXYZOABWSA-N	0	0	528.968	2.580	1	0		KFAFRN
NC(=O)n1cc(NC(=O)N2C[C@](F)(CO)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21	ZINC000205053830	562874900	/nfs/dbraw/zinc/87/49/00/562874900.db2.gz	UUQBTQAUKJFPFY-MBSDFSHPSA-N	0	0	505.909	2.984	1	0		KFAFRN
NC(=O)n1cc(NC(=O)N2C[C@@](F)(CO)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21	ZINC000205053995	562874903	/nfs/dbraw/zinc/87/49/03/562874903.db2.gz	UUQBTQAUKJFPFY-FDDCHVKYSA-N	0	0	505.909	2.984	1	0		KFAFRN
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3cccnc32)[C@@H]1C(=O)N[C@H](C)c1cccc(Cl)c1F	ZINC000205054099	562874893	/nfs/dbraw/zinc/87/48/93/562874893.db2.gz	WQZXYRBQLCDQEB-QFOAWXABSA-N	0	0	519.936	2.868	1	0		KFAFRN
NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(-c3nn[nH]n3)cc(Cl)c2F)c2ccccc21	ZINC000205054508	562874930	/nfs/dbraw/zinc/87/49/30/562874930.db2.gz	NJTJVPXJSNCSSQ-ACJLOTCBSA-N	0	0	543.922	2.801	1	0		KFAFRN
NC(=O)c1cc([C@H](N)C(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccn12	ZINC000205055981	562874921	/nfs/dbraw/zinc/87/49/21/562874921.db2.gz	WKRZHFPYHSQPNW-HQOQDVMHSA-N	0	0	507.444	2.514	1	0		KFAFRN
NC(=O)c1cc([C@@H](N)C(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccn12	ZINC000205056005	562874923	/nfs/dbraw/zinc/87/49/23/562874923.db2.gz	WKRZHFPYHSQPNW-ZUSMLRIVSA-N	0	0	507.444	2.514	1	0		KFAFRN
CCC(=O)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1	ZINC000205344891	562875178	/nfs/dbraw/zinc/87/51/78/562875178.db2.gz	ZVQXRZWEXZPQPD-HSZRJFAPSA-N	0	0	536.610	2.866	1	0		KFAFRN
CCC(=O)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1	ZINC000205344907	562875171	/nfs/dbraw/zinc/87/51/71/562875171.db2.gz	ZVQXRZWEXZPQPD-QHCPKHFHSA-N	0	0	536.610	2.866	1	0		KFAFRN
CC(C)(C)C(=O)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1	ZINC000205360886	562875227	/nfs/dbraw/zinc/87/52/27/562875227.db2.gz	CNLUUUHQPPKAPF-UHFFFAOYSA-N	0	0	577.663	2.596	1	0		KFAFRN
O=C(c1ccccc1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1	ZINC000205366032	562875241	/nfs/dbraw/zinc/87/52/41/562875241.db2.gz	PJXCMJBLORKNJD-UHFFFAOYSA-N	0	0	597.653	2.863	1	0		KFAFRN
COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(=O)c(=O)c2N[C@@H](c2ccc(C)o2)C2(C)COC2)c1O	ZINC000205458804	562875457	/nfs/dbraw/zinc/87/54/57/562875457.db2.gz	SIUQYAWDXLUCLD-XDHUDOTRSA-N	0	0	523.542	2.601	1	0		KFAFRN
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@H](CC4=O)N5S(C)(=O)=O)cn3)nc2n1C1CCCC1	ZINC000205543833	562875560	/nfs/dbraw/zinc/87/55/60/562875560.db2.gz	CKPSHUDUTFOEGY-CTNGQTDRSA-N	0	0	566.688	2.916	1	0		KFAFRN
Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCC4(CC3)COCC(=O)N4C)[nH]c21	ZINC000205651161	562875598	/nfs/dbraw/zinc/87/55/98/562875598.db2.gz	BQMMFHQUPVXKTL-UHFFFAOYSA-N	0	0	514.590	2.874	1	0		KFAFRN
Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCN(CCN4CCOCC4)CC3)[nH]c21	ZINC000205654003	562875608	/nfs/dbraw/zinc/87/56/08/562875608.db2.gz	QWUHGKRFNNTWLT-UHFFFAOYSA-N	0	0	529.649	2.500	1	0		KFAFRN
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)[O-])Cc1ccc(cc1)OCc1cn2nn1)C1CCCCC1	ZINC000205765058	562875937	/nfs/dbraw/zinc/87/59/37/562875937.db2.gz	NUSGTOGZUYGSQN-VEIWGLSFSA-N	0	0	778.911	2.678	1	0		KFAFRN
CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)NC1CC1	ZINC000206073438	562876190	/nfs/dbraw/zinc/87/61/90/562876190.db2.gz	GTFAKIPDKMDOBK-CPKCRNRBSA-N	0	0	693.890	2.836	1	0		KFAFRN
COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(=O)c(=O)c2N[C@@H](c2ccc(C)o2)C2(C)COC2)c1O	ZINC000207347519	562876719	/nfs/dbraw/zinc/87/67/19/562876719.db2.gz	SIUQYAWDXLUCLD-OSPHWJPCSA-N	0	0	523.542	2.601	1	0		KFAFRN
COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(=O)c(=O)c2N[C@H](c2ccc(C)o2)C2(C)COC2)c1O	ZINC000207347564	562876738	/nfs/dbraw/zinc/87/67/38/562876738.db2.gz	SIUQYAWDXLUCLD-MZNJEOGPSA-N	0	0	523.542	2.601	1	0		KFAFRN
COC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(=O)c(=O)c2N[C@H](c2ccc(C)o2)C2(C)COC2)c1O	ZINC000207347614	562876724	/nfs/dbraw/zinc/87/67/24/562876724.db2.gz	SIUQYAWDXLUCLD-BXKMTCNYSA-N	0	0	523.542	2.601	1	0		KFAFRN
COC(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2	ZINC000213903547	562877269	/nfs/dbraw/zinc/87/72/69/562877269.db2.gz	QYHWCROWSKRSHP-ZETCQYMHSA-N	0	0	520.203	2.785	1	0		KFAFRN
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[N@H+]5CCO)cn3)nc2n1C1CCCC1	ZINC000215444082	562877358	/nfs/dbraw/zinc/87/73/58/562877358.db2.gz	YFTHNXLMZZSIID-SZPZYZBQSA-N	0	0	532.649	2.668	1	0		KFAFRN
CCOC(=O)CNC(=S)NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c2cccc3Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000219446519	562878194	/nfs/dbraw/zinc/87/81/94/562878194.db2.gz	NEJBIXBMWXHAFX-FSKOWZIRSA-N	0	0	588.126	2.770	1	0		KFAFRN
COC(=O)c1cn(C[C@H]2O[C@@H](n3cc(Cc4ccc(C5CC5)cc4)c4c3cccc4Cl)[C@H](O)[C@@H](O)[C@@H]2O)nn1	ZINC000219451413	562878240	/nfs/dbraw/zinc/87/82/40/562878240.db2.gz	FHNZEYFYMXTVHV-UIKHAHSZSA-N	0	0	553.015	2.821	1	0		KFAFRN
CCOC(=O)CNC(=O)NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c2cccc3Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000219451625	562878250	/nfs/dbraw/zinc/87/82/50/562878250.db2.gz	UXHNHNHVCHAELT-FSKOWZIRSA-N	0	0	572.058	2.605	1	0		KFAFRN
C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(s1)c(-c1ccncc1OCC1CC1)cn(C)c2=O	ZINC000220052969	562878324	/nfs/dbraw/zinc/87/83/24/562878324.db2.gz	OIJPTZJGWMIDLW-MRXNPFEDSA-N	0	0	502.662	2.917	1	0		KFAFRN
O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(OCc3noc(C4CC4)n3)ccc1-2	ZINC000220160276	562878362	/nfs/dbraw/zinc/87/83/62/562878362.db2.gz	GYFFGDAQOSOCDL-SFHVURJKSA-N	0	0	501.499	2.920	1	0		KFAFRN
O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(OCc3noc(C4CC4)n3)ccc1-2	ZINC000220160338	562878382	/nfs/dbraw/zinc/87/83/82/562878382.db2.gz	GYFFGDAQOSOCDL-GOSISDBHSA-N	0	0	501.499	2.920	1	0		KFAFRN
CN1C(=O)C=C2C=C(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)cc3)C=C[C@H]21	ZINC000221276404	562878920	/nfs/dbraw/zinc/87/89/20/562878920.db2.gz	QRONDCOADASIII-RUZDIDTESA-N	0	0	519.623	2.859	1	0		KFAFRN
CN1C(=O)C=C2C=C(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)cc3)C=C[C@@H]21	ZINC000221276464	562878944	/nfs/dbraw/zinc/87/89/44/562878944.db2.gz	QRONDCOADASIII-VWLOTQADSA-N	0	0	519.623	2.859	1	0		KFAFRN
CCCC[Si](CCCC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1	ZINC000221633074	562879104	/nfs/dbraw/zinc/87/91/04/562879104.db2.gz	BAVWOXJDSUFIEE-UHFFFAOYSA-N	0	0	514.742	2.631	1	0		KFAFRN
Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH]c21	ZINC000222322378	562879773	/nfs/dbraw/zinc/87/97/73/562879773.db2.gz	SEZKIVXFAZSQKX-QHCPKHFHSA-N	0	0	514.590	2.874	1	0		KFAFRN
Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c21	ZINC000222322425	562879762	/nfs/dbraw/zinc/87/97/62/562879762.db2.gz	SEZKIVXFAZSQKX-HSZRJFAPSA-N	0	0	514.590	2.874	1	0		KFAFRN
Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)N5CCN(CCN6CCOCC6)CC5)[nH]c4c(Cl)c3)n2)c1	ZINC000222324320	562879792	/nfs/dbraw/zinc/87/97/92/562879792.db2.gz	CWIGGXWQNPELPI-UHFFFAOYSA-N	0	0	550.067	2.845	1	0		KFAFRN
Cn1cnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCC6(CC5)COCC(=O)N6C)cc4c3)n2)c1	ZINC000222326724	562879786	/nfs/dbraw/zinc/87/97/86/562879786.db2.gz	FZTYADPRUOKUJE-UHFFFAOYSA-N	0	0	500.563	2.565	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC(F)(F)[C@@H]12)S(=O)(=O)c1ccc(N)cc1	ZINC000224699399	562880504	/nfs/dbraw/zinc/88/05/04/562880504.db2.gz	UQYAKJSDOQPRAX-YCXOGWGTSA-N	0	0	583.654	2.621	1	0	in-vitro	KFAFRN
C[NH2+]CC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccccc3)CC1)c2Nc1ccc(F)cc1C	ZINC000224734090	562880511	/nfs/dbraw/zinc/88/05/11/562880511.db2.gz	JMZSYLWPTBDGEP-UHFFFAOYSA-N	0	0	579.658	2.965	1	0		KFAFRN
O=S(=O)(c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1)N1CCS(=O)(=O)CC1	ZINC000224827834	562880556	/nfs/dbraw/zinc/88/05/56/562880556.db2.gz	JOBGNOBBBVBGMN-UHFFFAOYSA-N	0	0	503.577	2.778	1	0		KFAFRN
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)n1	ZINC000225339356	562880780	/nfs/dbraw/zinc/88/07/80/562880780.db2.gz	AYFDOHZLMOTKKF-SZFUDVHCSA-N	0	0	518.343	2.599	1	0		KFAFRN
Cc1cc(C)c(C(=O)N2CCN(C(=O)Nc3ccc(N4CCC(C(=O)N5CCOCC5)CC4)cc3)CC2)[nH]1	ZINC000230837522	562881175	/nfs/dbraw/zinc/88/11/75/562881175.db2.gz	XYSSPOKFEGUTRJ-UHFFFAOYSA-N	0	0	522.650	2.697	1	0		KFAFRN
C=C1O[C@@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2[S@@](=O)C1C(=O)OCC	ZINC000253633794	562882087	/nfs/dbraw/zinc/88/20/87/562882087.db2.gz	IQBZOTNDEVWKHV-RNOVAFFRSA-N	0	0	502.585	2.817	1	0		KFAFRN
COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](O)c2cccc3ccccc32)C(C)C)C[C@@H](C(=O)OC)C1	ZINC000253633795	562882107	/nfs/dbraw/zinc/88/21/07/562882107.db2.gz	OEHVICYGRRZHLL-AIRFAYSXSA-N	0	0	655.789	2.543	1	0		KFAFRN
C=C1O[C@@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2[S@](=O)C1C(=O)OCC	ZINC000253633798	562882090	/nfs/dbraw/zinc/88/20/90/562882090.db2.gz	IQBZOTNDEVWKHV-HYVOBSSLSA-N	0	0	502.585	2.817	1	0		KFAFRN
COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](O)c2cccc3ccccc32)C(C)C)C[C@@H](C(=O)OC)C1	ZINC000253633800	562882089	/nfs/dbraw/zinc/88/20/89/562882089.db2.gz	OEHVICYGRRZHLL-FFTLOTRPSA-N	0	0	655.789	2.543	1	0		KFAFRN
C=C1O[C@@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2[S@](=O)C1C(=O)OCC	ZINC000253633801	562882091	/nfs/dbraw/zinc/88/20/91/562882091.db2.gz	IQBZOTNDEVWKHV-ZSIZKVFJSA-N	0	0	502.585	2.817	1	0		KFAFRN
C=C1O[C@@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2[S@@](=O)C1C(=O)OCC	ZINC000253633803	562882094	/nfs/dbraw/zinc/88/20/94/562882094.db2.gz	IQBZOTNDEVWKHV-WZZVKRTJSA-N	0	0	502.585	2.817	1	0		KFAFRN
COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](O)c2cccc3ccccc32)C(C)C)C[C@@H](C(=O)OC)C1	ZINC000253633804	562882097	/nfs/dbraw/zinc/88/20/97/562882097.db2.gz	OEHVICYGRRZHLL-LEOUZYNRSA-N	0	0	655.789	2.543	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccccc1	ZINC000253636738	562882329	/nfs/dbraw/zinc/88/23/29/562882329.db2.gz	BAEBYPQCCDXNPJ-FZPKUJNRSA-N	0	0	532.659	2.793	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12)S(=O)(=O)c1ccccc1	ZINC000253636739	562882340	/nfs/dbraw/zinc/88/23/40/562882340.db2.gz	BAEBYPQCCDXNPJ-OAQXCZEZSA-N	0	0	532.659	2.793	1	0		KFAFRN
CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@H](C)O	ZINC000253638538	562882443	/nfs/dbraw/zinc/88/24/43/562882443.db2.gz	POEPROHXWZELFO-MHLUIASZSA-N	0	0	639.753	2.600	1	0		KFAFRN
CCOC(=O)CCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)[C@H](C)CC	ZINC000253648131	562882604	/nfs/dbraw/zinc/88/26/04/562882604.db2.gz	WHXVDJWSDYFSQV-RDXVJPLOSA-N	0	0	600.798	2.808	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)N1CCC([C@H](C)[N@H+](C)[C@H](C)C(=O)[O-])=C[C@H](Cc2ccccc2)C1=O)C(C)C)C(C)C	ZINC000253665731	562882688	/nfs/dbraw/zinc/88/26/88/562882688.db2.gz	DDSIYDWYAAAWPY-GHBIWXHMSA-N	0	0	614.784	2.641	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)N1CCC([C@H](C)[N@H+](C)[C@@H](C)C(=O)[O-])=C[C@H](Cc2ccccc2)C1=O)C(C)C)C(C)C	ZINC000253665737	562882684	/nfs/dbraw/zinc/88/26/84/562882684.db2.gz	DDSIYDWYAAAWPY-JLZVJQFZSA-N	0	0	614.784	2.641	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)N1CCC([C@H](C)[N@H+](C)[C@@H](C)C(=O)[O-])=C[C@@H](Cc2ccccc2)C1=O)C(C)C)C(C)C	ZINC000253665744	562882692	/nfs/dbraw/zinc/88/26/92/562882692.db2.gz	DDSIYDWYAAAWPY-JNXNNPHFSA-N	0	0	614.784	2.641	1	0		KFAFRN
COC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](C)N1CCC([C@H](C)[N@H+](C)[C@H](C)C(=O)[O-])=C[C@@H](Cc2ccccc2)C1=O)C(C)C)C(C)C	ZINC000253665752	562882682	/nfs/dbraw/zinc/88/26/82/562882682.db2.gz	DDSIYDWYAAAWPY-NUANIXAOSA-N	0	0	614.784	2.641	1	0		KFAFRN
C[C@H](O)CCCC[C@H](C)[C@@H]1C[C@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000253665792	562882690	/nfs/dbraw/zinc/88/26/90/562882690.db2.gz	MKOPZQIQZWBFOD-GTCMEMFRSA-N	0	0	502.652	2.595	1	0		KFAFRN
C[C@H](O)CCCC[C@H](C)[C@@H]1C[C@@H](O)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000253665800	562882687	/nfs/dbraw/zinc/88/26/87/562882687.db2.gz	MKOPZQIQZWBFOD-PHNLQQBUSA-N	0	0	502.652	2.595	1	0		KFAFRN
C[C@H](O)CCCC[C@H](C)[C@@H]1C[C@H](O)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O1	ZINC000253665805	562882691	/nfs/dbraw/zinc/88/26/91/562882691.db2.gz	MKOPZQIQZWBFOD-WEXULQILSA-N	0	0	502.652	2.595	1	0		KFAFRN
COc1cc(C(=O)C(=O)N2[C@@H]3CCC[C@H]2C(=O)OC[C@H](COCc2ccccc2)COC3=O)cc(OC)c1OC	ZINC000253683836	562882837	/nfs/dbraw/zinc/88/28/37/562882837.db2.gz	DQSYXHDHQFHTNV-MMVMTREESA-N	0	0	555.580	2.578	1	0		KFAFRN
COc1cc(C(=O)C(=O)N2[C@@H]3CCC[C@H]2C(=O)OC[C@@H](COCc2ccccc2)COC3=O)cc(OC)c1OC	ZINC000253683844	562882836	/nfs/dbraw/zinc/88/28/36/562882836.db2.gz	DQSYXHDHQFHTNV-QQFNCUIESA-N	0	0	555.580	2.578	1	0		KFAFRN
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)c3nc(C(C)(C)F)no3)CC2)c1F	ZINC000299823979	562883165	/nfs/dbraw/zinc/88/31/65/562883165.db2.gz	ABRLPETXYAPFLZ-UHFFFAOYSA-N	0	0	538.533	2.786	1	0		KFAFRN
COc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1	ZINC000299824041	562883170	/nfs/dbraw/zinc/88/31/70/562883170.db2.gz	KOHVUFMOGBQGDW-UHFFFAOYSA-N	0	0	510.597	2.832	1	0		KFAFRN
CO[C@@H](C[C@@H](C)[C@@H](O)/C=C/C=C/CNC(=O)C(C)(C)[C@H](O)/C(C)=C/C=C/C=C/C(C)=C(\C)[N+](=O)[O-])[C@]1(O)[C@@H](C)C(=O)N(C)[C@@]12COC2=O	ZINC000299824533	562883287	/nfs/dbraw/zinc/88/32/87/562883287.db2.gz	LGWNAGXYTFGNDW-MHFSSDQESA-N	0	0	673.804	2.768	1	0		KFAFRN
O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCN(S(=O)(=O)c5ccccc5)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1	ZINC000299824826	562883405	/nfs/dbraw/zinc/88/34/05/562883405.db2.gz	HVSIIEPTCDGHJD-FPOVZHCZSA-N	0	0	603.078	2.955	1	0		KFAFRN
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)c3ncc(Cl)cn3)CC2)c1F	ZINC000299825296	562883509	/nfs/dbraw/zinc/88/35/09/562883509.db2.gz	BPXJSGIERMPYKH-UHFFFAOYSA-N	0	0	522.946	2.642	1	0		KFAFRN
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)c3noc(C(C)C)n3)CC2)c1F	ZINC000299825316	562883510	/nfs/dbraw/zinc/88/35/10/562883510.db2.gz	BXAHBPJBHXQXPU-UHFFFAOYSA-N	0	0	520.543	2.705	1	0		KFAFRN
COc1ccc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1	ZINC000299825459	562883548	/nfs/dbraw/zinc/88/35/48/562883548.db2.gz	CSSXABGDGRYGGN-UHFFFAOYSA-N	0	0	592.522	2.953	1	0		KFAFRN
Cn1c(=O)c2c(no[n+]2[O-])n([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1=O	ZINC000299826341	562883824	/nfs/dbraw/zinc/88/38/24/562883824.db2.gz	FVCPAYULLKTKKU-BQOYKFDPSA-N	0	0	586.601	2.607	1	0		KFAFRN
C[C@H](Nc1cccc(Cl)c1F)c1cc(C(=O)NCC[NH+](C)C)cn2c(=O)cc(N3CCOCC3)nc12	ZINC000299826472	562883852	/nfs/dbraw/zinc/88/38/52/562883852.db2.gz	GOYGSVJFUAFYBM-INIZCTEOSA-N	0	0	517.005	2.788	1	0		KFAFRN
C[C@@H](Nc1cccc(Cl)c1F)c1cc(C(=O)NCC[NH+](C)C)cn2c(=O)cc(N3CCOCC3)nc12	ZINC000299826478	562883865	/nfs/dbraw/zinc/88/38/65/562883865.db2.gz	GOYGSVJFUAFYBM-MRXNPFEDSA-N	0	0	517.005	2.788	1	0		KFAFRN
O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3S(=O)(=O)C[C@@H]12)c1ccc(Cl)s1	ZINC000299827119	562884087	/nfs/dbraw/zinc/88/40/87/562884087.db2.gz	OVPDJDDAINGUPH-GJZGRUSLSA-N	0	0	509.993	2.830	1	0		KFAFRN
CCCCCc1nnc(-c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2)o1	ZINC000299827777	562884221	/nfs/dbraw/zinc/88/42/21/562884221.db2.gz	PDLNQSCOUNRVOW-VRCQNKPTSA-N	0	0	562.572	2.931	1	0		KFAFRN
CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)N1CCN(S(C)(=O)=O)CC1	ZINC000299828442	562884485	/nfs/dbraw/zinc/88/44/85/562884485.db2.gz	JJURUOGFJVURKH-UHFFFAOYSA-N	0	0	641.622	2.755	1	0		KFAFRN
CC(C)c1noc(N2CCN(c3ncc(OCc4ccc(CS(C)(=O)=O)cc4F)cn3)[C@H](C)C2)n1	ZINC000299828770	562884569	/nfs/dbraw/zinc/88/45/69/562884569.db2.gz	HGOCZXVINVMQGD-MRXNPFEDSA-N	0	0	504.588	2.961	1	0		KFAFRN
CC(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](O)C[C@@H](C)[C@@]13OC2(C)C	ZINC000299828894	562884612	/nfs/dbraw/zinc/88/46/12/562884612.db2.gz	JLRAIXDWEVCLHD-BSFRJMKLSA-N	0	0	532.586	2.592	1	0		KFAFRN
CCOC(=O)Cn1c(=O)c2c(nc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2COC(=O)C(C)(C)C)n(C)c1=O	ZINC000299829350	562884839	/nfs/dbraw/zinc/88/48/39/562884839.db2.gz	TYBMTPKQHPXVQP-UHFFFAOYSA-N	0	0	592.653	2.584	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OCC)c(-c4nnc5c(n4)c(C)nn5C)c3)CC2)cc1-c1nnc2c(n1)c(C)nn2C	ZINC000299829772	562884973	/nfs/dbraw/zinc/88/49/73/562884973.db2.gz	IABYJAHTXUHYLY-UHFFFAOYSA-N	0	0	762.879	2.664	1	0		KFAFRN
C[C@@H]1CN(c2nnc(C(F)(F)F)o2)CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1	ZINC000299829887	562885047	/nfs/dbraw/zinc/88/50/47/562885047.db2.gz	IDFYVOMBWZBNGK-CQSZACIVSA-N	0	0	512.514	2.717	1	0		KFAFRN
CCn1cc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1	ZINC000299830384	562885237	/nfs/dbraw/zinc/88/52/37/562885237.db2.gz	UXYWLSVXCOTUNW-UHFFFAOYSA-N	0	0	579.527	2.765	1	0		KFAFRN
C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@]1(C)CO1	ZINC000299830959	562885423	/nfs/dbraw/zinc/88/54/23/562885423.db2.gz	ZYJPXEQQIXMELT-CWUYZBNHSA-N	0	0	665.791	2.785	1	0		KFAFRN
CC(C)Cn1c(=O)n(C)c(=O)c2nc(-c3nnn(C)c3CCCO)c(Cc3cccc4ccccc43)nc21	ZINC000299831078	562885442	/nfs/dbraw/zinc/88/54/42/562885442.db2.gz	NKTBIVXTTIAISQ-UHFFFAOYSA-N	0	0	513.602	2.611	1	0		KFAFRN
C[C@@H]1CN(c2nnc(C(F)(F)F)o2)CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1	ZINC000299831154	562885450	/nfs/dbraw/zinc/88/54/50/562885450.db2.gz	IXIWGIOCETWRTM-CYBMUJFWSA-N	0	0	530.504	2.856	1	0		KFAFRN
COC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(C)=O)C[C@@H]2C)O1	ZINC000299831921	562885746	/nfs/dbraw/zinc/88/57/46/562885746.db2.gz	OXTDDOWDGPUNFR-JJHGNFEOSA-N	0	0	549.661	2.536	1	0		KFAFRN
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccc(OCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)cc3[C@H]2C1	ZINC000299832163	562885753	/nfs/dbraw/zinc/88/57/53/562885753.db2.gz	SEGSKVAZFOMHMF-AREMUKBSSA-N	0	0	610.689	2.837	1	0		KFAFRN
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccc(OCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)cc3[C@@H]2C1	ZINC000299832166	562885769	/nfs/dbraw/zinc/88/57/69/562885769.db2.gz	SEGSKVAZFOMHMF-SANMLTNESA-N	0	0	610.689	2.837	1	0		KFAFRN
Cc1c2ccccc2oc1C1CN(C(=O)/C=C/c2cnc3c(c2)CN(CCN2CCOCC2)CC(=O)N3)C1	ZINC000299832877	562886018	/nfs/dbraw/zinc/88/60/18/562886018.db2.gz	UJLBDPRMLTVUFO-VOTSOKGWSA-N	0	0	515.614	2.862	1	0		KFAFRN
CCCCCC(=O)Nc1nc(N)nc2c1ncn2[C@H]1CO[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OCC)c2ccccc2)O1	ZINC000299833260	562886126	/nfs/dbraw/zinc/88/61/26/562886126.db2.gz	KIWZZJNJFRVKJI-BGVYQQRWSA-N	0	0	589.590	2.875	1	0		KFAFRN
CCCCCC(=O)Nc1nc(N)nc2c1ncn2[C@H]1CO[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCC)c2ccccc2)O1	ZINC000299833261	562886139	/nfs/dbraw/zinc/88/61/39/562886139.db2.gz	KIWZZJNJFRVKJI-RLJJLMBASA-N	0	0	589.590	2.875	1	0		KFAFRN
CCc1cnc(C(=O)N2CCC(Oc3ncnc(Oc4ccc(S(C)(=O)=O)nc4C)c3F)CC2)nc1	ZINC000299833285	562886149	/nfs/dbraw/zinc/88/61/49/562886149.db2.gz	RHFPXTMUONBOGE-UHFFFAOYSA-N	0	0	516.555	2.551	1	0		KFAFRN
O=C(c1csc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000299833526	562886191	/nfs/dbraw/zinc/88/61/91/562886191.db2.gz	PRAPIVSQEVRZMD-UHFFFAOYSA-N	0	0	502.552	2.902	1	0		KFAFRN
CO[C@H]1CN(c2nc(-c3cncc(NCCN4CC[NH+](C)CC4)n3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000299833917	562886299	/nfs/dbraw/zinc/88/62/99/562886299.db2.gz	OZKUQOZGHQRJHO-AEFFLSMTSA-N	0	0	652.609	2.925	1	0		KFAFRN
Cn1c2ncn(Cc3cn(C[C@H]4OC(C)(C)O[C@H]4[C@@H](O)P(=O)(OCc4ccccc4)OCc4ccccc4)nn3)c2c(=O)n(C)c1=O	ZINC000299833922	562886350	/nfs/dbraw/zinc/88/63/50/562886350.db2.gz	ARYSRMLUEDIBTG-YPZXTKLSSA-N	0	0	665.644	2.539	1	0		KFAFRN
O=C(N[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC(Br)=NO2)N(C(=O)OCc2cnc3ccccc3c2)C1)c1cccnc1	ZINC000299834370	562886422	/nfs/dbraw/zinc/88/64/22/562886422.db2.gz	LIKRTBXKJIVNEN-URVUXULASA-N	0	0	581.427	2.753	1	0		KFAFRN
COc1ccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCN(c3nsc4ccccc43)CC2)C(C)C)cc1	ZINC000299834493	562886473	/nfs/dbraw/zinc/88/64/73/562886473.db2.gz	JKJHPZBCELSTNU-BMQPFVSWSA-N	0	0	825.993	2.751	1	0		KFAFRN
COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=[NH2+])NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000299834814	562886568	/nfs/dbraw/zinc/88/65/68/562886568.db2.gz	ZPJPITDEBBRIJP-LJQANCHMSA-N	0	0	500.596	2.635	1	0		KFAFRN
CC(C)Cn1c(=O)n(C)c(=O)c2nc(-c3c(CCCO)nnn3C)c(Cc3cccc4ccccc43)nc21	ZINC000299835578	562886917	/nfs/dbraw/zinc/88/69/17/562886917.db2.gz	WNEUSAWHSXGMTL-UHFFFAOYSA-N	0	0	513.602	2.611	1	0		KFAFRN
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)c3noc(C(C)(C)F)n3)CC2)c1F	ZINC000299835956	562887003	/nfs/dbraw/zinc/88/70/03/562887003.db2.gz	XAQQVIWLJYOLFK-UHFFFAOYSA-N	0	0	538.533	2.786	1	0		KFAFRN
COc1cccc(NC(=S)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCN(c3nsc4ccccc43)CC2)C(C)C)c1	ZINC000299836229	562887051	/nfs/dbraw/zinc/88/70/51/562887051.db2.gz	MMDZZSHOMBIVON-BMQPFVSWSA-N	0	0	842.061	2.916	1	0		KFAFRN
CC(C)OC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OC(C)C)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12	ZINC000299837364	562887445	/nfs/dbraw/zinc/88/74/45/562887445.db2.gz	QMPNDRPKRDSCHM-PEFXOJROSA-N	0	0	559.685	2.675	1	0		KFAFRN
CCOC(=O)C1=C(S[C@H]2C[C@@H](C(=O)Nc3cccc(C(=O)OCC)c3)N(Cc3oc(=O)oc3C)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12	ZINC000299837516	562887503	/nfs/dbraw/zinc/88/75/03/562887503.db2.gz	QXVLFRCZCNCZPM-BJFCDUINSA-N	0	0	643.715	2.665	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000299838257	562887748	/nfs/dbraw/zinc/88/77/48/562887748.db2.gz	UCVQRDOPEGKGBL-KEOOTSPTSA-N	0	0	565.800	2.655	1	0		KFAFRN
COc1ccccc1NC(=S)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(c2nsc3ccccc32)CC1)C(C)C	ZINC000299838518	562887887	/nfs/dbraw/zinc/88/78/87/562887887.db2.gz	UXGRCBNHEKKFAG-WXLVEAMESA-N	0	0	842.061	2.916	1	0		KFAFRN
COc1ccc(NC(=S)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCN(c3nsc4ccccc43)CC2)C(C)C)cc1	ZINC000299838599	562887872	/nfs/dbraw/zinc/88/78/72/562887872.db2.gz	VLTJYDZWZRHUIU-BMQPFVSWSA-N	0	0	842.061	2.916	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@@H]2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1	ZINC000299838633	562887925	/nfs/dbraw/zinc/88/79/25/562887925.db2.gz	VQLNHQYXLDPOCF-JOCHJYFZSA-N	0	0	501.649	2.722	1	0		KFAFRN
COc1ccccc1N1CCN(C[C@H]2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1	ZINC000299838636	562887904	/nfs/dbraw/zinc/88/79/04/562887904.db2.gz	VQLNHQYXLDPOCF-QFIPXVFZSA-N	0	0	501.649	2.722	1	0		KFAFRN
CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2nsc3ccccc32)CC1	ZINC000299839262	562888129	/nfs/dbraw/zinc/88/81/29/562888129.db2.gz	XJRXAGJLORNWLN-QOVAEWSBSA-N	0	0	813.957	2.881	1	0		KFAFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)OC3CCCCC3)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12	ZINC000299839354	562888191	/nfs/dbraw/zinc/88/81/91/562888191.db2.gz	YAJXMQMGYJVZOJ-QWMJFVRESA-N	0	0	631.704	2.843	1	0		KFAFRN
COc1cccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCN(c3nsc4ccccc43)CC2)C(C)C)c1	ZINC000299839560	562888214	/nfs/dbraw/zinc/88/82/14/562888214.db2.gz	YSWDFSLNAGUYOW-BMQPFVSWSA-N	0	0	825.993	2.751	1	0		KFAFRN
C/C1=C/C(=O)OC[C@]23CC[C@@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@H]4O[C@@H](C1)O[C@@H]4C)[C@@]3(C)[C@]21CO1	ZINC000299839807	562888332	/nfs/dbraw/zinc/88/83/32/562888332.db2.gz	ZIYCBQPVLHOKPQ-HUUGNEFBSA-N	0	0	528.598	2.918	1	0		KFAFRN
C/C1=C/C(=O)OC[C@]23CC[C@@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@H]4O[C@@H](C1)O[C@H]4C)[C@@]3(C)[C@]21CO1	ZINC000299839808	562888322	/nfs/dbraw/zinc/88/83/22/562888322.db2.gz	ZIYCBQPVLHOKPQ-WUKHVWRUSA-N	0	0	528.598	2.918	1	0		KFAFRN
CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2nsc3ccccc32)CC1	ZINC000299839825	562888342	/nfs/dbraw/zinc/88/83/42/562888342.db2.gz	ZNKANCANAUAWKX-QOVAEWSBSA-N	0	0	813.957	2.881	1	0		KFAFRN
[NH3+][C@@H](CC(=O)N1[C@H](C[N-]S(=O)(=O)C(F)(F)F)C[C@@H]2CCCC[C@@H]21)Cc1cc(F)c(F)cc1F	ZINC000299839941	562888381	/nfs/dbraw/zinc/88/83/81/562888381.db2.gz	UBHNJMJLCJASME-KTMFAHBVSA-N	0	0	501.493	2.963	1	0		KFAFRN
C[C@@H]1CN(c2nnc(C(F)(F)F)o2)CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1	ZINC000299840165	562888432	/nfs/dbraw/zinc/88/84/32/562888432.db2.gz	UTOPRESBQKAWRB-GFCCVEGCSA-N	0	0	532.476	2.650	1	0		KFAFRN
C[C@H](CNC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OCC(=O)N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299840205	562888457	/nfs/dbraw/zinc/88/84/57/562888457.db2.gz	VWXNDAQYWCQZPX-WOJMBDDJSA-N	0	0	563.780	2.882	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1	ZINC000299840714	562888606	/nfs/dbraw/zinc/88/86/06/562888606.db2.gz	YZLZYPNQAQSJIC-DTXPUJKBSA-N	0	0	667.771	2.821	1	0		KFAFRN
C[C@@H]1CN(C(=O)OC2(C(F)(F)F)COC2)CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1	ZINC000299840793	562888655	/nfs/dbraw/zinc/88/86/55/562888655.db2.gz	WEUUMZLPXYLJKY-CQSZACIVSA-N	0	0	564.514	2.512	1	0		KFAFRN
C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2F)cn1	ZINC000299840978	562888707	/nfs/dbraw/zinc/88/87/07/562888707.db2.gz	XCGRMHQPVVAZAS-GFCCVEGCSA-N	0	0	516.477	2.715	1	0		KFAFRN
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(C(=O)CO)CC3)c2)ncc1Cl	ZINC000299841232	562888806	/nfs/dbraw/zinc/88/88/06/562888806.db2.gz	YRQIZIMDOXXDDC-UHFFFAOYSA-N	0	0	602.117	2.874	1	0		KFAFRN
C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(I)c2)N(C)C(=O)CNC(=O)[C@@H](C)C1	ZINC000299844304	562889277	/nfs/dbraw/zinc/88/92/77/562889277.db2.gz	OXZSDRMSCOSPIT-DYLDXWQJSA-N	0	0	627.520	2.931	1	0		KFAFRN
C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)c(I)c2)N(C)C(=O)CNC(=O)[C@H](C)C1	ZINC000299844305	562889286	/nfs/dbraw/zinc/88/92/86/562889286.db2.gz	OXZSDRMSCOSPIT-MCTLSTKRSA-N	0	0	627.520	2.931	1	0		KFAFRN
C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)c(I)c2)N(C)C(=O)CNC(=O)[C@@H](C)C1	ZINC000299844306	562889282	/nfs/dbraw/zinc/88/92/82/562889282.db2.gz	OXZSDRMSCOSPIT-UOTVIXQISA-N	0	0	627.520	2.931	1	0		KFAFRN
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)[C@H]2SC(S(N)(=O)=O)=C[C@H]21	ZINC000299844922	562889407	/nfs/dbraw/zinc/88/94/07/562889407.db2.gz	PSMYZBYTIIQVMC-OSIXVRSWSA-N	0	0	722.005	2.676	1	0		KFAFRN
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)[C@@H]2SC(S(N)(=O)=O)=C[C@H]21	ZINC000299844923	562889415	/nfs/dbraw/zinc/88/94/15/562889415.db2.gz	PSMYZBYTIIQVMC-ZUYFUOTISA-N	0	0	722.005	2.676	1	0		KFAFRN
CS(=O)(=O)N[C@H]1CC[C@H](Nc2nccc(-n3ccc4c3cccc4OC[C@@H]3CCS(=O)(=O)C3)n2)CC1	ZINC000299845000	562889420	/nfs/dbraw/zinc/88/94/20/562889420.db2.gz	AHYIIKWTYMCFNB-FHWLQOOXSA-N	0	0	533.676	2.506	1	0		KFAFRN
CS(=O)(=O)N[C@H]1CC[C@H](Nc2nccc(-n3ccc4c3cccc4OC[C@H]3CCS(=O)(=O)C3)n2)CC1	ZINC000299845002	562889422	/nfs/dbraw/zinc/88/94/22/562889422.db2.gz	AHYIIKWTYMCFNB-GUDVDZBRSA-N	0	0	533.676	2.506	1	0		KFAFRN
COCCOCCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCOCCOC)[C@H]1c1ccc(O)cc1	ZINC000299845225	562889425	/nfs/dbraw/zinc/88/94/25/562889425.db2.gz	DSUHEMBBRBEXLE-KKLUKGEUSA-N	0	0	532.586	2.624	1	0		KFAFRN
CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(N[C@H]2CC[C@H](C(=O)N3CC[C@@H](O)C3)CC2)n1	ZINC000299845575	562889520	/nfs/dbraw/zinc/88/95/20/562889520.db2.gz	JOAJAXWKPSMMPG-NJDAHSKKSA-N	0	0	541.674	2.798	1	0		KFAFRN
COCCNC(=O)O[C@@H](C)/C=C\C(=O)N[C@H]1CO[C@@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)CC(C)(C)O2)OC1	ZINC000299845902	562889555	/nfs/dbraw/zinc/88/95/55/562889555.db2.gz	LDYOEOZYCXXRPG-XSPZFIGHSA-N	0	0	522.639	2.781	1	0		KFAFRN
COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)c1c(O)n(-c2ccccc2)c(O)c13	ZINC000299846347	562889664	/nfs/dbraw/zinc/88/96/64/562889664.db2.gz	PIEHJPMGQNQUGU-CAEHJFMLSA-N	0	0	607.619	2.934	1	0		KFAFRN
CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCOCC2)CO1	ZINC000299847304	562889861	/nfs/dbraw/zinc/88/98/61/562889861.db2.gz	MWRLRIRFYOTYMH-FOYQUSJGSA-N	0	0	534.650	2.877	1	0		KFAFRN
CC(C)[C@H](O)C(=O)O[C@H](C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@](C)(C=CC(=O)OC[C@@]2(C)O)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C)C(C)C	ZINC000299847799	562890052	/nfs/dbraw/zinc/89/00/52/562890052.db2.gz	RCYZADKTJDQLRC-NJEJUFGVSA-N	0	0	688.767	2.795	1	0		KFAFRN
C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CF)[C@H](O[C@@H]7O[C@H](CF)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000299847807	562890075	/nfs/dbraw/zinc/89/00/75/562890075.db2.gz	FUJIHKPYSZHSBO-DKVSJGIOSA-N	0	0	758.893	2.576	1	0		KFAFRN
C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CF)[C@H](O[C@@H]7O[C@H](CF)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2	ZINC000299847811	562890056	/nfs/dbraw/zinc/89/00/56/562890056.db2.gz	FUJIHKPYSZHSBO-OMVDBOKISA-N	0	0	758.893	2.576	1	0		KFAFRN
C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CF)[C@H](O[C@@H]7O[C@H](CF)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000299847814	562890067	/nfs/dbraw/zinc/89/00/67/562890067.db2.gz	FUJIHKPYSZHSBO-SELJMUEQSA-N	0	0	758.893	2.576	1	0		KFAFRN
C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CF)[C@H](O[C@@H]7O[C@H](CF)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2	ZINC000299847817	562890065	/nfs/dbraw/zinc/89/00/65/562890065.db2.gz	FUJIHKPYSZHSBO-WZKRHDCXSA-N	0	0	758.893	2.576	1	0		KFAFRN
C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2	ZINC000299848454	562890273	/nfs/dbraw/zinc/89/02/73/562890273.db2.gz	QHTZNDYCQGKEKZ-CXPSAIPISA-N	0	0	592.770	2.797	1	0		KFAFRN
C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)O[C@]12CC[C@@H](C)CO2	ZINC000299848457	562890274	/nfs/dbraw/zinc/89/02/74/562890274.db2.gz	QHTZNDYCQGKEKZ-QLSIIAHHSA-N	0	0	592.770	2.797	1	0		KFAFRN
CC(/C=C/[C@H]1OC(C)(C)C[C@@]2(CO2)[C@@H]1O)=C\C[C@H]1OC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)CO1	ZINC000299849778	562890542	/nfs/dbraw/zinc/89/05/42/562890542.db2.gz	VULXXPVZUAEZCL-KOFDEVBNSA-N	0	0	507.624	2.578	1	0		KFAFRN
O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)OCc1cccc(Br)c1	ZINC000299850564	562890613	/nfs/dbraw/zinc/89/06/13/562890613.db2.gz	BJENNGXTTFADFK-VJBMBRPKSA-N	0	0	605.530	2.873	1	0		KFAFRN
O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)OCc1cccc(Cl)c1	ZINC000299851865	562890793	/nfs/dbraw/zinc/89/07/93/562890793.db2.gz	KYQCCQSIZLGDKB-VJBMBRPKSA-N	0	0	561.079	2.764	1	0		KFAFRN
COc1cc2nccc(SC[C@H](Nc3cc[nH+]c4cc(OC)c(C(N)=O)cc34)C(=O)[O-])c2cc1C(N)=O	ZINC000299853401	562891156	/nfs/dbraw/zinc/89/11/56/562891156.db2.gz	KCWOKPSYUUGOBQ-IBGZPJMESA-N	0	0	521.555	2.655	1	0		KFAFRN
COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(Oc3ccccc3)c2)C(C)C)c(OC)c1	ZINC000299856236	562891914	/nfs/dbraw/zinc/89/19/14/562891914.db2.gz	CLGZSIBHOJNLOD-YZNIXAGQSA-N	0	0	590.677	2.856	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000299857174	562892109	/nfs/dbraw/zinc/89/21/09/562892109.db2.gz	DTDQTTSGSTUIBM-LMKNWFJESA-N	0	0	647.858	2.822	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000299857176	562892132	/nfs/dbraw/zinc/89/21/32/562892132.db2.gz	DTDQTTSGSTUIBM-PBTRMENHSA-N	0	0	647.858	2.822	1	0		KFAFRN
Cc1c(O)cccc1N(CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)CC(=O)N(C)C	ZINC000299858200	562892412	/nfs/dbraw/zinc/89/24/12/562892412.db2.gz	DISRPUCLWLLPHG-IZEXYCQBSA-N	0	0	639.819	2.613	1	0		KFAFRN
Cc1c(O)cccc1N(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)CC(=O)N(C)C	ZINC000299858201	562892392	/nfs/dbraw/zinc/89/23/92/562892392.db2.gz	DISRPUCLWLLPHG-QCENPCRXSA-N	0	0	639.819	2.613	1	0		KFAFRN
CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2cc3c(cc2c1-c1ccncc1)OCO3	ZINC000299858312	562892413	/nfs/dbraw/zinc/89/24/13/562892413.db2.gz	DPNMWCZJIUYTOP-NAKRPHOHSA-N	0	0	513.506	2.885	1	0		KFAFRN
COc1cc([C@H]2CC(c3ccc(Cl)cc3)=NN2C=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299858511	562892475	/nfs/dbraw/zinc/89/24/75/562892475.db2.gz	DQAKNRZVRINAKP-GOSISDBHSA-N	0	0	522.949	2.733	1	0		KFAFRN
COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299858512	562892457	/nfs/dbraw/zinc/89/24/57/562892457.db2.gz	DQAKNRZVRINAKP-SFHVURJKSA-N	0	0	522.949	2.733	1	0		KFAFRN
NC(=O)[C@@H](c1ncon1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O	ZINC000299858576	562892491	/nfs/dbraw/zinc/89/24/91/562892491.db2.gz	DVPMRDQLGGNJPW-LDBYXDLTSA-N	0	0	514.464	2.529	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000299858700	562892518	/nfs/dbraw/zinc/89/25/18/562892518.db2.gz	GQYQVRLKCQSBAG-GDKKAJJHSA-N	0	0	613.841	2.625	1	0		KFAFRN
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000299859554	562892768	/nfs/dbraw/zinc/89/27/68/562892768.db2.gz	FWXXOKDDMUNAKF-LBBUGJAGSA-N	0	0	746.950	2.744	1	0		KFAFRN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OC[C@H](OCC(=O)NCc3ccccc3)[C@@H]12)S(=O)(=O)c1ccc(N)cc1	ZINC000299860394	562892944	/nfs/dbraw/zinc/89/29/44/562892944.db2.gz	GOWALWOUIXIZKM-XWPYGYTGSA-N	0	0	710.850	2.687	1	0		KFAFRN
CCN(CC)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C	ZINC000299860613	562892972	/nfs/dbraw/zinc/89/29/72/562892972.db2.gz	GVEODAKCAHCIIJ-LJADHVKFSA-N	0	0	724.944	2.829	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000299860945	562893055	/nfs/dbraw/zinc/89/30/55/562893055.db2.gz	KAVIURCQYOJSCT-APWUFGDNSA-N	0	0	548.725	2.681	1	0		KFAFRN
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000299860946	562893070	/nfs/dbraw/zinc/89/30/70/562893070.db2.gz	KAVIURCQYOJSCT-IVIIFCHOSA-N	0	0	548.725	2.681	1	0		KFAFRN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NCCN3CCCCC3)ccc1OCC)[nH]c2=O	ZINC000299860999	562893123	/nfs/dbraw/zinc/89/31/23/562893123.db2.gz	HJTVJQLKDKSSRA-UHFFFAOYSA-N	0	0	502.641	2.851	1	0		KFAFRN
CNc1nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OC[C@H](F)[C@@H]34)cc2o1	ZINC000299861056	562893122	/nfs/dbraw/zinc/89/31/22/562893122.db2.gz	HOSINKCKBGXYOX-UUVBTYKWSA-N	0	0	620.700	2.924	1	0		KFAFRN
Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1NC(=O)[C@@H]([NH3+])CCc1ccc(O)cc1	ZINC000299861575	562893339	/nfs/dbraw/zinc/89/33/39/562893339.db2.gz	LNNUPVVINPNLMQ-DHLKQENFSA-N	0	0	515.570	2.780	1	0		KFAFRN
Cc1cccc(C)c1N(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)CC(=O)N1CCOCC1	ZINC000299862679	562893654	/nfs/dbraw/zinc/89/36/54/562893654.db2.gz	KAVCFZVXCVIZPJ-JHOUSYSJSA-N	0	0	679.884	2.986	1	0		KFAFRN
Cc1cccc(C)c1N(CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)CC(=O)N1CCOCC1	ZINC000299862681	562893656	/nfs/dbraw/zinc/89/36/56/562893656.db2.gz	KAVCFZVXCVIZPJ-LQJZCPKCSA-N	0	0	679.884	2.986	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CN(CC(=O)N2CCOCC2)c2cccc(O)c2C)cc1	ZINC000299863097	562893765	/nfs/dbraw/zinc/89/37/65/562893765.db2.gz	KPFOURKHTDGTGX-AFPLUKJUSA-N	0	0	696.867	2.810	1	0		KFAFRN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CN(CC(=O)N2CCOCC2)c2cccc(O)c2C)cc1	ZINC000299863098	562893764	/nfs/dbraw/zinc/89/37/64/562893764.db2.gz	KPFOURKHTDGTGX-VBTAUBHQSA-N	0	0	696.867	2.810	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)/C=C/c1ccccc1)[C@H]3O	ZINC000299863658	562893873	/nfs/dbraw/zinc/89/38/73/562893873.db2.gz	LIAMOMDCHQUQMX-QCCYBABYSA-N	0	0	516.587	2.566	1	0		KFAFRN
COC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@H](C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000299863725	562893932	/nfs/dbraw/zinc/89/39/32/562893932.db2.gz	PSFXJEKDTRVFEG-BONVTDFDSA-N	0	0	509.407	2.868	1	0		KFAFRN
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)NCCc1ccccc1	ZINC000299863946	562893990	/nfs/dbraw/zinc/89/39/90/562893990.db2.gz	QMDYJASNZAGCCL-WNJJXGMVSA-N	0	0	544.652	2.881	1	0		KFAFRN
CC(=O)OCC(=O)O[C@H]1CC[C@](C)(O)[C@@]23O[C@](C)(COC(=O)c4ccccc4)[C@@H]([C@H]2OC(C)=O)[C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@]13C	ZINC000299864068	562894004	/nfs/dbraw/zinc/89/40/04/562894004.db2.gz	LTWUWUPAODXSEY-ADKFCZDDSA-N	0	0	694.730	2.945	1	0		KFAFRN
CC(=O)OCC(=O)O[C@H]1CC[C@](C)(O)[C@@]23O[C@@](C)(COC(=O)c4ccccc4)[C@@H]([C@H]2OC(C)=O)[C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@]13C	ZINC000299864069	562893989	/nfs/dbraw/zinc/89/39/89/562893989.db2.gz	LTWUWUPAODXSEY-GMOHJLQXSA-N	0	0	694.730	2.945	1	0		KFAFRN
Cc1c(O)cccc1N(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)CC(=O)N(C)C	ZINC000299865078	562894319	/nfs/dbraw/zinc/89/43/19/562894319.db2.gz	NCHDLLLVKFZYFJ-BHDXBOSCSA-N	0	0	654.830	2.523	1	0		KFAFRN
Cc1c(O)cccc1N(CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)CC(=O)N(C)C	ZINC000299865080	562894300	/nfs/dbraw/zinc/89/43/00/562894300.db2.gz	NCHDLLLVKFZYFJ-NYDCQLBNSA-N	0	0	654.830	2.523	1	0		KFAFRN
CC(C)C[C@H](NC(=O)CN1CCN(C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1	ZINC000299865140	562894369	/nfs/dbraw/zinc/89/43/69/562894369.db2.gz	NJDLLZRQAZRBKS-IMKBVMFZSA-N	0	0	746.929	2.963	1	0		KFAFRN
O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccc(I)cc1)NCCO	ZINC000299865483	562894448	/nfs/dbraw/zinc/89/44/48/562894448.db2.gz	TZXZORUWGBHWJS-FSQOZOHOSA-N	0	0	555.453	2.932	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000299866651	562894715	/nfs/dbraw/zinc/89/47/15/562894715.db2.gz	PHOFITCOMWKZPM-HRYXAILRSA-N	0	0	712.933	2.548	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O	ZINC000299866652	562894693	/nfs/dbraw/zinc/89/46/93/562894693.db2.gz	PHOFITCOMWKZPM-MMKLJALJSA-N	0	0	712.933	2.548	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000299866653	562894701	/nfs/dbraw/zinc/89/47/01/562894701.db2.gz	PHOFITCOMWKZPM-NIEMXSESSA-N	0	0	712.933	2.548	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000299866654	562894686	/nfs/dbraw/zinc/89/46/86/562894686.db2.gz	PHOFITCOMWKZPM-NPHSDDHZSA-N	0	0	712.933	2.548	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O	ZINC000299866655	562894709	/nfs/dbraw/zinc/89/47/09/562894709.db2.gz	PHOFITCOMWKZPM-OXAAXGNVSA-N	0	0	712.933	2.548	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000299866656	562894687	/nfs/dbraw/zinc/89/46/87/562894687.db2.gz	PHOFITCOMWKZPM-PAQPNXMXSA-N	0	0	712.933	2.548	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O	ZINC000299866657	562894689	/nfs/dbraw/zinc/89/46/89/562894689.db2.gz	PHOFITCOMWKZPM-TYDLSAGMSA-N	0	0	712.933	2.548	1	0		KFAFRN
Cc1cc2c(cc1S(=O)(=O)NCCCN1CCN(c3ccc(C(F)(F)F)cc3)CC1)NC(=O)CO2	ZINC000299867581	562894892	/nfs/dbraw/zinc/89/48/92/562894892.db2.gz	YIBBPELRVMMBGU-UHFFFAOYSA-N	0	0	512.554	2.835	1	0		KFAFRN
COc1cc2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1C(=O)[O-]	ZINC000299867808	562894919	/nfs/dbraw/zinc/89/49/19/562894919.db2.gz	YUGWXMFOVWSSAF-UHFFFAOYSA-N	0	0	519.558	2.867	1	0		KFAFRN
COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(C)cnc4N4CCOCC4)nn3)C2)cc(OC)c1OC	ZINC000299867988	562894992	/nfs/dbraw/zinc/89/49/92/562894992.db2.gz	ZBFKTJITYAQWTP-JOCHJYFZSA-N	0	0	538.605	2.602	1	0		KFAFRN
COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(C)cnc4N4CCOCC4)nn3)C2)cc(OC)c1OC	ZINC000299867989	562895011	/nfs/dbraw/zinc/89/50/11/562895011.db2.gz	ZBFKTJITYAQWTP-QFIPXVFZSA-N	0	0	538.605	2.602	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O	ZINC000299868147	562895048	/nfs/dbraw/zinc/89/50/48/562895048.db2.gz	QZMCVUMVOLYVHQ-DHWPGWDGSA-N	0	0	719.928	2.784	1	0		KFAFRN
CCCC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000299868271	562895053	/nfs/dbraw/zinc/89/50/53/562895053.db2.gz	ZNBXYCDBDQNLPY-LJWNLINESA-N	0	0	578.710	2.796	1	0		KFAFRN
COc1ccc(NC(=O)C(=O)Nc2ccccc2OC)c(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c1	ZINC000299868541	562895150	/nfs/dbraw/zinc/89/51/50/562895150.db2.gz	RRVVZVNUEATOJW-UHFFFAOYSA-N	0	0	518.526	2.897	1	0		KFAFRN
COc1cc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299869250	562895274	/nfs/dbraw/zinc/89/52/74/562895274.db2.gz	UJHUDJJQBBXQCI-FQEVSTJZSA-N	0	0	516.558	2.778	1	0		KFAFRN
COc1cc([C@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299869312	562895326	/nfs/dbraw/zinc/89/53/26/562895326.db2.gz	UJHUDJJQBBXQCI-HXUWFJFHSA-N	0	0	516.558	2.778	1	0		KFAFRN
COc1cc([C@H]2CC(c3ccc(Br)cc3)=NN2C=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299869517	562895372	/nfs/dbraw/zinc/89/53/72/562895372.db2.gz	UVHMCOUFKQIDAL-GOSISDBHSA-N	0	0	567.400	2.842	1	0		KFAFRN
COc1cc([C@@H]2CC(c3ccc(Br)cc3)=NN2C=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299869518	562895358	/nfs/dbraw/zinc/89/53/58/562895358.db2.gz	UVHMCOUFKQIDAL-SFHVURJKSA-N	0	0	567.400	2.842	1	0		KFAFRN
COc1cc([C@@H]2CC(c3ccc(Br)cc3)=NN2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299870018	562895383	/nfs/dbraw/zinc/89/53/83/562895383.db2.gz	VSCCOXCIZQAUSY-KRWDZBQOSA-N	0	0	539.390	2.973	1	0		KFAFRN
COc1cc([C@H]2CC(c3ccc(Br)cc3)=NN2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000299870019	562895375	/nfs/dbraw/zinc/89/53/75/562895375.db2.gz	VSCCOXCIZQAUSY-QGZVFWFLSA-N	0	0	539.390	2.973	1	0		KFAFRN
Cc1nc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)no1	ZINC000299870442	562895464	/nfs/dbraw/zinc/89/54/64/562895464.db2.gz	WGYNBTCNYOMMNG-HFJQGTKSSA-N	0	0	542.518	2.862	1	0		KFAFRN
COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cn2)c(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c1	ZINC000299871049	562895666	/nfs/dbraw/zinc/89/56/66/562895666.db2.gz	XRDQTAURKBNKOR-UHFFFAOYSA-N	0	0	523.933	2.936	1	0		KFAFRN
C/C=C(\C)C(=O)OC[C@]1(C)O[C@]23[C@H](OC(C)=O)[C@H]1[C@H](O)[C@H](OC(=O)/C=C/c1ccccc1)[C@]2(C)[C@@H](OC(=O)COC(C)=O)CC[C@]3(C)O	ZINC000299871372	562895688	/nfs/dbraw/zinc/89/56/88/562895688.db2.gz	YHCKEIOMLBIUQU-CHGJHSMBSA-N	0	0	672.724	2.597	1	0		KFAFRN
C/C=C(\C)C(=O)OC[C@@]1(C)O[C@]23[C@H](OC(C)=O)[C@H]1[C@H](O)[C@H](OC(=O)/C=C/c1ccccc1)[C@]2(C)[C@@H](OC(=O)COC(C)=O)CC[C@]3(C)O	ZINC000299871373	562895687	/nfs/dbraw/zinc/89/56/87/562895687.db2.gz	YHCKEIOMLBIUQU-VKQJIOOKSA-N	0	0	672.724	2.597	1	0		KFAFRN
Cc1cccc(C)c1N(CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)CC(=O)N1CCOCC1	ZINC000299871452	562895693	/nfs/dbraw/zinc/89/56/93/562895693.db2.gz	YOTVFNWGUZMWKO-HEVIKAOCSA-N	0	0	694.895	2.896	1	0		KFAFRN
Cc1cccc(C)c1N(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1)CC(=O)N1CCOCC1	ZINC000299871453	562895709	/nfs/dbraw/zinc/89/57/09/562895709.db2.gz	YOTVFNWGUZMWKO-SZAHLOSFSA-N	0	0	694.895	2.896	1	0		KFAFRN
COc1ccc(NC(=O)C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1	ZINC000299871953	562895851	/nfs/dbraw/zinc/89/58/51/562895851.db2.gz	ZOHYUUXXZZGAML-UHFFFAOYSA-N	0	0	518.526	2.897	1	0		KFAFRN
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O	ZINC000299871964	562895809	/nfs/dbraw/zinc/89/58/09/562895809.db2.gz	ZPADQWNMZSRBBP-VWTRQRCLSA-N	0	0	724.944	2.692	1	0		KFAFRN
CC(=O)OCO[N-][N+](=O)N(C)CCOC(=O)Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000377815843	562896089	/nfs/dbraw/zinc/89/60/89/562896089.db2.gz	NZQVHXCMKITGEK-UHFFFAOYSA-N	0	0	614.579	2.630	1	0		KFAFRN
Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2nc3ccccc3[n+]([O-])n2)c2ccccc21	ZINC000377819269	562896077	/nfs/dbraw/zinc/89/60/77/562896077.db2.gz	FTWPHFQCJZQIJN-QFIPXVFZSA-O	0	0	534.641	2.835	1	0		KFAFRN
CC(=O)OCO[N-][N+](=O)N(C)CCOC(=O)C(=Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1	ZINC000377841254	562896257	/nfs/dbraw/zinc/89/62/57/562896257.db2.gz	VZKPGMAMIPIYPR-KGENOOAVSA-N	0	0	571.426	2.519	1	0		KFAFRN
CCC[C@@H](OC(=O)CO[N-][N+](=O)N(CC)CC)C1=CC(=C(Br)Br)OC1=O	ZINC000377848781	562896351	/nfs/dbraw/zinc/89/63/51/562896351.db2.gz	AABRSZZYLIAXQA-LLVKDONJSA-N	0	0	500.164	2.612	1	0		KFAFRN
CCC[C@H](OC(=O)CO[N-][N+](=O)N(CC)CC)C1=CC(=C(Br)Br)OC1=O	ZINC000377848782	562896352	/nfs/dbraw/zinc/89/63/52/562896352.db2.gz	AABRSZZYLIAXQA-NSHDSACASA-N	0	0	500.164	2.612	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2csc1n2	ZINC000473081278	562896616	/nfs/dbraw/zinc/89/66/16/562896616.db2.gz	BQTAMBWEFHWTBU-FOIAGIETSA-N	0	0	721.925	2.671	1	0		KFAFRN
OC[C@H]1O[C@H](OC(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000473084239	562896861	/nfs/dbraw/zinc/89/68/61/562896861.db2.gz	RCZAKMGKDSJMNU-PNHLWVRCSA-N	0	0	506.551	2.636	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O	ZINC000473085228	562896948	/nfs/dbraw/zinc/89/69/48/562896948.db2.gz	VYYBCILESAYSSU-ABJITVNWSA-N	0	0	721.925	2.719	1	0		KFAFRN
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc1n2	ZINC000473085542	562896935	/nfs/dbraw/zinc/89/69/35/562896935.db2.gz	XRBJRRUDGYDQMD-ABJITVNWSA-N	0	0	721.925	2.719	1	0		KFAFRN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3sc4c(nc(N)[nH]c4=O)c32)C(F)(F)[C@@H]1O)Oc1ccccc1	ZINC000473085547	562896971	/nfs/dbraw/zinc/89/69/71/562896971.db2.gz	XTEPIWITHZZGTH-ONZHPBFESA-N	0	0	628.551	2.774	1	0		KFAFRN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3sc4c(nc(N)[nH]c4=O)c32)C(F)(F)[C@@H]1O)Oc1ccccc1	ZINC000473085548	562896968	/nfs/dbraw/zinc/89/69/68/562896968.db2.gz	XTEPIWITHZZGTH-RIAYHDPNSA-N	0	0	628.551	2.774	1	0		KFAFRN
CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000473085961	562896978	/nfs/dbraw/zinc/89/69/78/562896978.db2.gz	ZJZYPFMFNGDOEQ-POPCVQDUSA-N	0	0	721.925	2.575	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cc(-c4ccc(Br)cc4)on3)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O	ZINC000473086843	562897085	/nfs/dbraw/zinc/89/70/85/562897085.db2.gz	CYGFTNKXMIOJTL-XUVXKRRUSA-N	0	0	534.319	2.816	1	0		KFAFRN
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](NC(=O)[C@@H]3CN3)C(=O)[C@]12C	ZINC000473087639	562897191	/nfs/dbraw/zinc/89/71/91/562897191.db2.gz	LFFWQYVGVBUWNA-ARDKEJHYSA-N	0	0	588.742	2.953	1	0		KFAFRN
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](NC(=O)[C@H]3CN3)C(=O)[C@]12C	ZINC000473087642	562897207	/nfs/dbraw/zinc/89/72/07/562897207.db2.gz	LFFWQYVGVBUWNA-HLYGRMQLSA-N	0	0	588.742	2.953	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3nnnc3S(=O)(=O)c3ccc(C)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000473088065	562897267	/nfs/dbraw/zinc/89/72/67/562897267.db2.gz	HTOJSUKPYAXFHO-QNMIOERPSA-N	0	0	606.613	2.790	1	0		KFAFRN
COc1ccc2ncc(F)c(CCC34CCC(NC(=O)c5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000473088731	562897332	/nfs/dbraw/zinc/89/73/32/562897332.db2.gz	JUXXIYAVSKUWCR-UHFFFAOYSA-N	0	0	507.522	2.948	1	0		KFAFRN
CCOC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2	ZINC000473089068	562897372	/nfs/dbraw/zinc/89/73/72/562897372.db2.gz	KGFYQRFZYURLEH-ZETCQYMHSA-N	0	0	520.203	2.785	1	0		KFAFRN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3nnnc3C(=O)c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000473090316	562897513	/nfs/dbraw/zinc/89/75/13/562897513.db2.gz	OKHRLSDKQYRMAK-LVEBQJTPSA-N	0	0	556.531	2.880	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CC[N@H+](CCCC(=O)OC)CCn1cnc2c1nc(N)[nH]c2=O)N[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000473090841	562897623	/nfs/dbraw/zinc/89/76/23/562897623.db2.gz	AVOBOIJCMQGZQO-VMPREFPWSA-N	0	0	752.810	2.921	1	0		KFAFRN
COc1cc(OC)cc(C(=O)NCc2cn([C@]3(C(C)C)Oc4cc5oc(=O)ccc5cc4C3=O)nn2)c1	ZINC000473091452	562897640	/nfs/dbraw/zinc/89/76/40/562897640.db2.gz	YDLYUGAMTDRDHN-AREMUKBSSA-N	0	0	504.499	2.916	1	0		KFAFRN
COc1cc(OC)cc(C(=O)NCc2cn([C@@]3(C(C)C)Oc4cc5oc(=O)ccc5cc4C3=O)nn2)c1	ZINC000473091453	562897667	/nfs/dbraw/zinc/89/76/67/562897667.db2.gz	YDLYUGAMTDRDHN-SANMLTNESA-N	0	0	504.499	2.916	1	0		KFAFRN
COC(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2	ZINC000473091542	562897695	/nfs/dbraw/zinc/89/76/95/562897695.db2.gz	QYHWCROWSKRSHP-SSDOTTSWSA-N	0	0	520.203	2.785	1	0		KFAFRN
CC(=O)OC[C@@]12[C@@H](O)[C@@H](O)C[C@@H](C)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1	ZINC000473099711	562898063	/nfs/dbraw/zinc/89/80/63/562898063.db2.gz	HHEBRZYAUOCPFH-KPNXULIBSA-N	0	0	610.656	2.858	1	0		KFAFRN
CC(C)Oc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1	ZINC000473108282	562898389	/nfs/dbraw/zinc/89/83/89/562898389.db2.gz	LXFJUSIWCMBIBJ-XTUVKROYSA-N	0	0	502.575	2.554	1	0		KFAFRN
O=C([O-])COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000473109881	562898487	/nfs/dbraw/zinc/89/84/87/562898487.db2.gz	UCZLNKKAXJHWOE-UHFFFAOYSA-N	0	0	537.548	2.762	1	0		KFAFRN
Nc1nc2c(ncn2CCCn2cc(Cn3cnc4c3nc(N)nc4NCc3ccccc3)nn2)c(NCc2ccccc2)n1	ZINC000473111435	562898591	/nfs/dbraw/zinc/89/85/91/562898591.db2.gz	BCUWSRWYSKSUJA-UHFFFAOYSA-N	0	0	601.683	2.745	1	0		KFAFRN
COC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C	ZINC000473112243	562898658	/nfs/dbraw/zinc/89/86/58/562898658.db2.gz	BQKHZOWMZYIESU-LUKZPVAESA-N	0	0	644.773	2.644	1	0		KFAFRN
CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000473112608	562898694	/nfs/dbraw/zinc/89/86/94/562898694.db2.gz	FRONFJPZPPGYAX-NCVLCKSMSA-N	0	0	506.692	2.672	1	0		KFAFRN
CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000473112609	562898677	/nfs/dbraw/zinc/89/86/77/562898677.db2.gz	FRONFJPZPPGYAX-RNHPFYBJSA-N	0	0	506.692	2.672	1	0		KFAFRN
CC[C@H]1OC(=O)[C@H](C)[C@@H](OCc2cn(CCNC(N)=NC(=O)NC)nn2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C	ZINC000473116492	562899144	/nfs/dbraw/zinc/89/91/44/562899144.db2.gz	WYPXHQQXFIZCPB-XUMXAOSFSA-N	0	0	681.876	2.545	1	0		KFAFRN
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CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O	ZINC000473117391	562899196	/nfs/dbraw/zinc/89/91/96/562899196.db2.gz	ZFFKLIGSDMVSKR-GGWVETOJSA-N	0	0	512.699	2.860	1	0		KFAFRN
CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O	ZINC000473117392	562899184	/nfs/dbraw/zinc/89/91/84/562899184.db2.gz	ZFFKLIGSDMVSKR-ILIKUIBDSA-N	0	0	512.699	2.860	1	0		KFAFRN
COC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12	ZINC000473117827	562899218	/nfs/dbraw/zinc/89/92/18/562899218.db2.gz	IXGKBHNNKBZUSL-AREMUKBSSA-N	0	0	600.653	2.867	1	0		KFAFRN
COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12	ZINC000473117839	562899213	/nfs/dbraw/zinc/89/92/13/562899213.db2.gz	IXGKBHNNKBZUSL-SANMLTNESA-N	0	0	600.653	2.867	1	0		KFAFRN
COC(=O)C[C@@H]1[C@]2(C)[C@@H](OC3=C(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)[C@@H](O)[C@@H]32)[C@@H](O)[C@@H](OC(C)=O)C1(C)C	ZINC000473119277	562899278	/nfs/dbraw/zinc/89/92/78/562899278.db2.gz	AKNOUJCNCNREHU-XVRKKTCNSA-N	0	0	544.597	2.992	1	0		KFAFRN
CC[C@H](C)[C@H](O)C(=O)O[C@H]1[C@H](OC=O)[C@H]([C@]2(C)[C@@H](CC(=O)OC)[C@@](C)(COC(C)=O)OC(=O)C[C@@H]2OC(C)=O)C(COC)=C2[C@H](O)C[C@@H](c3ccoc3)[C@@]21C	ZINC000473119828	562899304	/nfs/dbraw/zinc/89/93/04/562899304.db2.gz	BSFJETRYHFLUBE-HPNIMENDSA-N	0	0	778.845	2.953	1	0		KFAFRN
CC[C@H](C)[C@@H](O)C(=O)O[C@H]1[C@H](OC=O)[C@H]([C@]2(C)[C@@H](CC(=O)OC)[C@@](C)(COC(C)=O)OC(=O)C[C@@H]2OC(C)=O)C(COC)=C2[C@H](O)C[C@@H](c3ccoc3)[C@@]21C	ZINC000473119832	562899307	/nfs/dbraw/zinc/89/93/07/562899307.db2.gz	BSFJETRYHFLUBE-IEOYTZCCSA-N	0	0	778.845	2.953	1	0		KFAFRN
CC[C@@H](C)[C@H](O)C(=O)O[C@H]1[C@H](OC=O)[C@H]([C@]2(C)[C@@H](CC(=O)OC)[C@@](C)(COC(C)=O)OC(=O)C[C@@H]2OC(C)=O)C(COC)=C2[C@H](O)C[C@@H](c3ccoc3)[C@@]21C	ZINC000473119835	562899332	/nfs/dbraw/zinc/89/93/32/562899332.db2.gz	BSFJETRYHFLUBE-PDJSISOJSA-N	0	0	778.845	2.953	1	0		KFAFRN
CC[C@@H](C)[C@@H](O)C(=O)O[C@H]1[C@H](OC=O)[C@H]([C@]2(C)[C@@H](CC(=O)OC)[C@@](C)(COC(C)=O)OC(=O)C[C@@H]2OC(C)=O)C(COC)=C2[C@H](O)C[C@@H](c3ccoc3)[C@@]21C	ZINC000473119838	562899324	/nfs/dbraw/zinc/89/93/24/562899324.db2.gz	BSFJETRYHFLUBE-QSCYLHIDSA-N	0	0	778.845	2.953	1	0		KFAFRN
COC(=O)[C@@H](NC(=O)N[C@H](C(=O)N[C@H]1CCCCNC(=O)/C=C/[C@H](Cc2cccc(C(F)(F)F)c2)NC1=O)C(C)C)C(C)C	ZINC000473122407	562899506	/nfs/dbraw/zinc/89/95/06/562899506.db2.gz	RVOGDTZMTAPZGJ-SFRXAYEZSA-N	0	0	625.689	2.595	1	0		KFAFRN
CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1	ZINC000473123008	562899516	/nfs/dbraw/zinc/89/95/16/562899516.db2.gz	KDSUSJUAJOGNPC-UHFFFAOYSA-N	0	0	585.669	2.915	1	0		KFAFRN
Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1	ZINC000473123573	562899579	/nfs/dbraw/zinc/89/95/79/562899579.db2.gz	LYJJAIFGVKPDRA-FQRUVTKNSA-N	0	0	510.537	2.846	1	0		KFAFRN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12	ZINC000473123788	562899597	/nfs/dbraw/zinc/89/95/97/562899597.db2.gz	VRKFCJLHHOKPIH-AREMUKBSSA-N	0	0	600.653	2.867	1	0		KFAFRN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12	ZINC000473123791	562899594	/nfs/dbraw/zinc/89/95/94/562899594.db2.gz	VRKFCJLHHOKPIH-SANMLTNESA-N	0	0	600.653	2.867	1	0		KFAFRN
COc1cc(Nc2nccc(-n3cc(C)c(CN4CC(O)C4)c3)n2)cc(OC)c1OCC(=O)N1CCCC1	ZINC000473124106	562899598	/nfs/dbraw/zinc/89/95/98/562899598.db2.gz	WFGIFQKKFYHUEG-UHFFFAOYSA-N	0	0	522.606	2.514	1	0		KFAFRN
CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1	ZINC000473125483	562899705	/nfs/dbraw/zinc/89/97/05/562899705.db2.gz	PXYNXQORCWJBOI-UHFFFAOYSA-N	0	0	599.652	2.555	1	0		KFAFRN
COC(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)[C@@H](O)[C@@H](C(=O)[C@@H]4C)[C@@]21C	ZINC000473127157	562899817	/nfs/dbraw/zinc/89/98/17/562899817.db2.gz	UXXFPSQRSDVVNR-FIBSUFAISA-N	0	0	604.649	2.696	1	0		KFAFRN
CCOc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(Cl)cc1	ZINC000473132446	562900263	/nfs/dbraw/zinc/90/02/63/562900263.db2.gz	SOOAOKZUUULBMU-UHFFFAOYSA-N	0	0	514.011	2.832	1	0		KFAFRN
C=CC(=O)N1C[C@H]2CN(c3nc4c(ncn4C(C)C)c(Nc4ccc(N5CC[NH+](C)CC5)cc4)n3)C[C@H]2C1	ZINC000473133719	562900415	/nfs/dbraw/zinc/90/04/15/562900415.db2.gz	CBZIPGPDJXMUAK-OYRHEFFESA-N	0	0	515.666	2.983	1	0		KFAFRN
O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2	ZINC000473135327	562900664	/nfs/dbraw/zinc/90/06/64/562900664.db2.gz	NYFFIGAXHHVRRJ-FQEVSTJZSA-N	0	0	504.543	2.829	1	0		KFAFRN
CC(=O)O[C@@H](CC1COC(=O)C1=O)[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](O)[C@]1(C)O	ZINC000473136253	562900997	/nfs/dbraw/zinc/90/09/97/562900997.db2.gz	ZZDJHMJHKZYAFI-PSWZNPBXSA-N	0	0	529.586	2.792	1	0		KFAFRN
CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O	ZINC000473136964	562901146	/nfs/dbraw/zinc/90/11/46/562901146.db2.gz	VTMFADWALYHSRO-JVZUVRLPSA-N	0	0	668.692	2.544	1	0		KFAFRN
CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000473137214	562901182	/nfs/dbraw/zinc/90/11/82/562901182.db2.gz	WTCLEDMBIMLGKI-BDHVOXNPSA-N	0	0	737.805	2.565	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NCCc3ccccc3)cs2)C1	ZINC000473145133	562901314	/nfs/dbraw/zinc/90/13/14/562901314.db2.gz	BFJOYFRPRSLZTN-UXEORXRVSA-N	0	0	529.707	2.544	1	0		KFAFRN
CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(C)C)c2cn(nn2)CC(=O)O1	ZINC000473149132	562901510	/nfs/dbraw/zinc/90/15/10/562901510.db2.gz	HRJQEJQMZLHBPO-SYWNZNGQSA-N	0	0	626.780	2.501	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H]1CCO[C@H](c2nc(C(=O)NC(C)C)cs2)C1	ZINC000473151545	562901655	/nfs/dbraw/zinc/90/16/55/562901655.db2.gz	QEULMQYFEUMUMH-TYIUSFPZSA-N	0	0	507.701	2.633	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1	ZINC000473151546	562901640	/nfs/dbraw/zinc/90/16/40/562901640.db2.gz	QEULMQYFEUMUMH-VRRQFBSDSA-N	0	0	507.701	2.633	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1	ZINC000473151547	562901662	/nfs/dbraw/zinc/90/16/62/562901662.db2.gz	QEULMQYFEUMUMH-VXCLMFOKSA-N	0	0	507.701	2.633	1	0		KFAFRN
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H]1CCO[C@H](c2nc(C(=O)NC(C)C)cs2)C1	ZINC000473151548	562901646	/nfs/dbraw/zinc/90/16/46/562901646.db2.gz	QEULMQYFEUMUMH-WJRACZLCSA-N	0	0	507.701	2.633	1	0		KFAFRN
COC[C@@H]1C[C@H](O)CN1C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000473155077	562902399	/nfs/dbraw/zinc/90/23/99/562902399.db2.gz	OYZOUBMNHVIJTE-JIYSQGDMSA-N	0	0	667.825	2.966	1	0		KFAFRN
COC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000473155078	562902388	/nfs/dbraw/zinc/90/23/88/562902388.db2.gz	OYZOUBMNHVIJTE-MMJPGJBOSA-N	0	0	667.825	2.966	1	0		KFAFRN
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CC(=O)O[C@H](C)/C(C)=C/C(=O)O[C@H]1C(=O)[C@@H](O)[C@@]2(C)CC[C@H](O2)C(C)(C)/C=C/[C@H](C)C(=O)[C@H](O)C[C@H]1C	ZINC000473168999	562903112	/nfs/dbraw/zinc/90/31/12/562903112.db2.gz	LVUYCISLNYNHLM-NZJJMHARSA-N	0	0	522.635	2.852	1	0		KFAFRN
CC(=O)O[C@H](C)/C(C)=C/C(=O)O[C@H]1C(=O)[C@@H](O)[C@@]2(C)CC[C@H](O2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@H](O)C[C@H]1C	ZINC000473169027	562903109	/nfs/dbraw/zinc/90/31/09/562903109.db2.gz	LVUYCISLNYNHLM-ZSDWBOKXSA-N	0	0	522.635	2.852	1	0		KFAFRN
O=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)C[C@@H]3F)nc2N1	ZINC000473170926	562903247	/nfs/dbraw/zinc/90/32/47/562903247.db2.gz	SUSQQRMJLSDTHG-FCHUYYIVSA-N	0	0	545.575	2.512	1	0		KFAFRN
COC(=O)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2cc(C(N)=O)c3ccccc32)c1	ZINC000473179719	562903432	/nfs/dbraw/zinc/90/34/32/562903432.db2.gz	ILECZQSBBHNCCR-PZVFOTJXSA-N	0	0	526.952	2.625	1	0		KFAFRN
CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)NCC(=O)OC)cc1	ZINC000473220530	562904120	/nfs/dbraw/zinc/90/41/20/562904120.db2.gz	IQGXOMPQYFNGSU-MYLCPLCOSA-N	0	0	632.052	2.910	1	0		KFAFRN
CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)NCC(=O)OC)cc1	ZINC000473220532	562904104	/nfs/dbraw/zinc/90/41/04/562904104.db2.gz	IQGXOMPQYFNGSU-RBUXCVQISA-N	0	0	632.052	2.910	1	0		KFAFRN
O=C([O-])c1ccc(NC(=O)[C@@H]2c3cccc(C(=O)N4CC[NH2+]CC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1	ZINC000473220747	562904182	/nfs/dbraw/zinc/90/41/82/562904182.db2.gz	XKWZYAFKMNRDDU-IINUCZPTSA-N	0	0	659.078	2.976	1	0		KFAFRN
O=C([O-])c1ccc(NC(=O)[C@H]2c3cccc(C(=O)N4CC[NH2+]CC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1	ZINC000473220749	562904155	/nfs/dbraw/zinc/90/41/55/562904155.db2.gz	XKWZYAFKMNRDDU-RZFDLJBBSA-N	0	0	659.078	2.976	1	0		KFAFRN
CCOC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cccnc21	ZINC000473228838	562904411	/nfs/dbraw/zinc/90/44/11/562904411.db2.gz	UTRFPTKWFWFPOH-ZDFPQIBNSA-N	0	0	509.607	2.642	1	0		KFAFRN
COc1cc(C[N@H+]([C@H](C)c2ccc3c(c2)CCO3)[C@H]2C[C@H](C(=O)[O-])C2)ccc1OCCn1c(=O)ccn(C)c1=O	ZINC000473243864	562904784	/nfs/dbraw/zinc/90/47/84/562904784.db2.gz	CNKLSTUAWXDHQN-CTUHWIOQSA-N	0	0	549.624	2.996	1	0		KFAFRN
COc1cc(C[N@H+]([C@H](C)c2ccc3c(c2)CCO3)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCn1c(=O)ccn(C)c1=O	ZINC000473243866	562904757	/nfs/dbraw/zinc/90/47/57/562904757.db2.gz	CNKLSTUAWXDHQN-FOVJLYNBSA-N	0	0	549.624	2.996	1	0		KFAFRN
COc1cc(C[N@H+]([C@@H](C)c2ccc3c(c2)CCO3)[C@H]2C[C@H](C(=O)[O-])C2)ccc1OCCn1c(=O)ccn(C)c1=O	ZINC000473243867	562904778	/nfs/dbraw/zinc/90/47/78/562904778.db2.gz	CNKLSTUAWXDHQN-IGKWTDBASA-N	0	0	549.624	2.996	1	0		KFAFRN
COc1cc(C[N@H+]([C@@H](C)c2ccc3c(c2)CCO3)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCn1c(=O)ccn(C)c1=O	ZINC000473243869	562904790	/nfs/dbraw/zinc/90/47/90/562904790.db2.gz	CNKLSTUAWXDHQN-WDJPJFJCSA-N	0	0	549.624	2.996	1	0		KFAFRN
CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4C=CCC(=O)[C@@]43C)[C@]1(O)[C@@H](OC(C)=O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1	ZINC000474607838	562905403	/nfs/dbraw/zinc/90/54/03/562905403.db2.gz	KEYYQAMBUIZXPY-WTVGNSLASA-N	0	0	586.678	2.628	1	0		KFAFRN
NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3nccc(-c4ccc(Br)cc4)n3)CC2)cc1	ZINC000474609701	562905648	/nfs/dbraw/zinc/90/56/48/562905648.db2.gz	STFQQFBHIRCAGO-UHFFFAOYSA-N	0	0	533.408	2.843	1	0		KFAFRN
COC(=O)[C@H](Cc1cn(C(=O)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CN[C@@H](Cc2cn(C(=O)c3ccccc3)cn2)C(=O)OC)n1	ZINC000474609837	562905682	/nfs/dbraw/zinc/90/56/82/562905682.db2.gz	VZKUWIOLAVYHHF-LQJZCPKCSA-N	0	0	692.777	2.665	1	0		KFAFRN
O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1	ZINC000584905330	562905881	/nfs/dbraw/zinc/90/58/81/562905881.db2.gz	XKAUHJUBYCZSGD-GOSISDBHSA-N	0	0	520.644	3.443	1	0	in-vitro	KFAFRN
O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1	ZINC000584905331	562905865	/nfs/dbraw/zinc/90/58/65/562905865.db2.gz	XKAUHJUBYCZSGD-SFHVURJKSA-N	0	0	520.644	3.443	1	0	in-vitro	KFAFRN
COC[C@@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CC[C@@](F)(COC)C3)n2)C1	ZINC000653668870	562906061	/nfs/dbraw/zinc/90/60/61/562906061.db2.gz	IEXYMFPXSXZJCA-FCHUYYIVSA-N	0	0	500.497	2.852	1	0		KFAFRN
COC[C@@]1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC[C@](F)(COC)C3)n2)C1	ZINC000653668871	562906050	/nfs/dbraw/zinc/90/60/50/562906050.db2.gz	IEXYMFPXSXZJCA-FGZHOGPDSA-N	0	0	500.497	2.852	1	0		KFAFRN
COC[C@]1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC[C@@](F)(COC)C3)n2)C1	ZINC000653668872	562906088	/nfs/dbraw/zinc/90/60/88/562906088.db2.gz	IEXYMFPXSXZJCA-VXKWHMMOSA-N	0	0	500.497	2.852	1	0		KFAFRN
COC[C@@]1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC[C@@](F)(COC)C3)n2)C1	ZINC000653668873	562906092	/nfs/dbraw/zinc/90/60/92/562906092.db2.gz	IEXYMFPXSXZJCA-YADHBBJMSA-N	0	0	500.497	2.852	1	0		KFAFRN
Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O	ZINC000653682127	562906350	/nfs/dbraw/zinc/90/63/50/562906350.db2.gz	CYNIOIPKRXVGHL-KRWDZBQOSA-N	0	0	538.626	2.994	1	0		KFAFRN
CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)c1	ZINC000653682140	562906416	/nfs/dbraw/zinc/90/64/16/562906416.db2.gz	JGUPBZDFMCZRNA-KRWDZBQOSA-N	0	0	538.626	2.864	1	0		KFAFRN
CCCC/C=C/C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](CCC)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C1=O	ZINC000653691206	562906776	/nfs/dbraw/zinc/90/67/76/562906776.db2.gz	DAGQCELAEWQWLP-MUSXPZIESA-N	0	0	798.929	2.674	1	0		KFAFRN
COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCNC(=O)OCC(F)(F)F	ZINC000653691237	562906759	/nfs/dbraw/zinc/90/67/59/562906759.db2.gz	MKCDZLJKLKVBFT-UHFFFAOYSA-N	0	0	518.456	2.751	1	0		KFAFRN
CCCC/C=C/C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N2CCC[C@H]2C(=O)N2CC[C@H](C)C[C@H]2C(=O)N[C@@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)O[C@H]1C	ZINC000653693932	562906906	/nfs/dbraw/zinc/90/69/06/562906906.db2.gz	STTXMIUVJHJCHY-JDGRRDPBSA-N	0	0	798.929	2.528	1	0		KFAFRN
CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O	ZINC000653699650	562907289	/nfs/dbraw/zinc/90/72/89/562907289.db2.gz	ZDVIABVNEDLARA-VWCMKLTGSA-N	0	0	520.663	2.720	1	0		KFAFRN
COC(=O)/C(C)=C/COc1cc(=O)oc(/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)c1C	ZINC000653703224	562907553	/nfs/dbraw/zinc/90/75/53/562907553.db2.gz	VYFFJGIOFZRTHR-JXOAWMPUSA-N	0	0	502.560	2.834	1	0		KFAFRN
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@H]4CC[C@@H](C3)N4C[C@H]([NH3+])C(=O)[O-])nc(N)n2)C(F)(F)F)n1	ZINC000653706001	562907733	/nfs/dbraw/zinc/90/77/33/562907733.db2.gz	KAWWLWBAIXGBJM-QCMGHPBJSA-N	0	0	580.999	2.954	1	0		KFAFRN
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCCN(C[C@H]([NH3+])C(=O)[O-])CC3)nc(N)n2)C(F)(F)F)n1	ZINC000653706023	562907795	/nfs/dbraw/zinc/90/77/95/562907795.db2.gz	PLQLLJRXARTOCI-LAUBAEHRSA-N	0	0	568.988	2.813	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CO[C@@H](Cn1cnc2c1ncnc2N)C(=O)OC)N[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000653707162	562907860	/nfs/dbraw/zinc/90/78/60/562907860.db2.gz	MDQXKUTYICFZJY-GSDHBNRESA-N	0	0	681.687	2.645	1	0		KFAFRN
CCCC/C=C/C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](CC)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C1=O	ZINC000653707782	562907916	/nfs/dbraw/zinc/90/79/16/562907916.db2.gz	QHROWWLHODJWAW-ZXTKXWAHSA-N	0	0	838.872	2.701	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(CO[C@@H](Cn1cnc2c1ncnc2N)C(=O)OC)Oc1ccccc1	ZINC000653708655	562907991	/nfs/dbraw/zinc/90/79/91/562907991.db2.gz	HTDVCEDACRTSLH-OIYQMSCESA-N	0	0	582.554	2.960	1	0		KFAFRN
CCOC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CO[C@@H](Cn1cnc2c1ncnc2N)C(=O)OC)Oc1ccccc1	ZINC000653708656	562907973	/nfs/dbraw/zinc/90/79/73/562907973.db2.gz	HTDVCEDACRTSLH-SAGYIQHVSA-N	0	0	582.554	2.960	1	0		KFAFRN
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)CC1	ZINC000653715463	562908517	/nfs/dbraw/zinc/90/85/17/562908517.db2.gz	MQJUOZJTMCPHPG-UHFFFAOYSA-N	0	0	575.013	2.810	1	0		KFAFRN
CON=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccc1)C(C)C	ZINC000653719564	562908666	/nfs/dbraw/zinc/90/86/66/562908666.db2.gz	NREYPYJOSYSNJA-GKCWTWCASA-N	0	0	697.878	2.519	1	0		KFAFRN
O=C(C=Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)Nc1ccccc1	ZINC000653721796	562908783	/nfs/dbraw/zinc/90/87/83/562908783.db2.gz	ZLXSSWZMXAAGDQ-KXCHGZFJSA-N	0	0	552.631	2.646	1	0		KFAFRN
CC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccc1)C(C)C	ZINC000653723274	562908890	/nfs/dbraw/zinc/90/88/90/562908890.db2.gz	NGPQHKSRDIGJDT-QUUJSONZSA-N	0	0	667.848	2.979	1	0		KFAFRN
CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1O)[C@H]3OC(=O)c1ccco1	ZINC000653723679	562908915	/nfs/dbraw/zinc/90/89/15/562908915.db2.gz	ZCQXSBNRWUJABD-FUKUQHMWSA-N	0	0	532.542	2.645	1	0		KFAFRN
O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NC1CCCCC1	ZINC000653724741	562908958	/nfs/dbraw/zinc/90/89/58/562908958.db2.gz	IUGNEROYHYWMAE-AUBKUYCASA-N	0	0	572.706	2.846	1	0		KFAFRN
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CCOCC2)C2CCCCC2)cc(OC)c1OC	ZINC000653725375	562909084	/nfs/dbraw/zinc/90/90/84/562909084.db2.gz	LACDNTPNXXZUDG-URXFXBBRSA-N	0	0	545.677	2.908	1	0		KFAFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1	ZINC000653726416	562909145	/nfs/dbraw/zinc/90/91/45/562909145.db2.gz	YIXACJGREBWBLP-KECWCRPSSA-N	0	0	668.836	2.512	1	0		KFAFRN
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(=O)NCC(N)=O)CCCC2)C2CCCCC2)cc(OC)c1OC	ZINC000653726552	562909159	/nfs/dbraw/zinc/90/91/59/562909159.db2.gz	KPABIKAOVZTECN-NVQXNPDNSA-N	0	0	586.730	2.788	1	0		KFAFRN
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)C2CCCCC2)cc(OC)c1OC	ZINC000653726724	562909224	/nfs/dbraw/zinc/90/92/24/562909224.db2.gz	WDKLUIJPVYKSGL-HWBMXIPRSA-N	0	0	555.676	2.693	1	0		KFAFRN
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@H](Cc2c[nH]cn2)C(N)=O)C2CCCCC2)cc(OC)c1OC	ZINC000653726726	562909214	/nfs/dbraw/zinc/90/92/14/562909214.db2.gz	WDKLUIJPVYKSGL-SLSDLSHTSA-N	0	0	555.676	2.693	1	0		KFAFRN
O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1	ZINC000653727913	562909271	/nfs/dbraw/zinc/90/92/71/562909271.db2.gz	LSKIMJNZNHSHNZ-YKAJZYPISA-N	0	0	580.685	2.714	1	0		KFAFRN
COC(=O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)/C=C/[C@@H](CO)NC(=O)[C@@H](C)[C@H]([C@H](C)CCCCCCCCCCCC(C)C)OC1=O	ZINC000653728658	562909307	/nfs/dbraw/zinc/90/93/07/562909307.db2.gz	CSQLTPPKKYNCMH-VXNVYOQZSA-N	0	0	639.831	2.642	1	0		KFAFRN
COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CC2)C2CCCCC2)cc(OC)c1OC	ZINC000653728670	562909319	/nfs/dbraw/zinc/90/93/19/562909319.db2.gz	HUXVWJKMVHMJHA-UGKGYDQZSA-N	0	0	501.624	2.892	1	0		KFAFRN
CCCCCNC(=O)C(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1	ZINC000653731289	562909518	/nfs/dbraw/zinc/90/95/18/562909518.db2.gz	XCLKFGFGJOYONI-FTGFBZEVSA-N	0	0	560.695	2.704	1	0		KFAFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12	ZINC000653737458	562909790	/nfs/dbraw/zinc/90/97/90/562909790.db2.gz	CLGQIKCWVOKWJI-KPWKWFBESA-N	0	0	623.747	2.732	1	0		KFAFRN
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12	ZINC000653737473	562909796	/nfs/dbraw/zinc/90/97/96/562909796.db2.gz	HXCLLLLTYYSJTA-MRGHRIBBSA-N	0	0	625.763	2.882	1	0		KFAFRN
COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@@H](C)[C@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O	ZINC000653738963	562909942	/nfs/dbraw/zinc/90/99/42/562909942.db2.gz	CSQLTPPKKYNCMH-BSYQAAOBSA-N	0	0	639.831	2.642	1	0		KFAFRN
COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@H](C)[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O	ZINC000653738964	562909963	/nfs/dbraw/zinc/90/99/63/562909963.db2.gz	CSQLTPPKKYNCMH-YGZAAVGJSA-N	0	0	639.831	2.642	1	0		KFAFRN
CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c21	ZINC000653739157	562910035	/nfs/dbraw/zinc/91/00/35/562910035.db2.gz	KBMDKBYCXHDEFF-UHFFFAOYSA-N	0	0	526.645	2.959	1	0		KFAFRN
O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NC1CCCCC1	ZINC000653739787	562910140	/nfs/dbraw/zinc/91/01/40/562910140.db2.gz	UHERLXZFFAVXKP-DJGDUWQLSA-N	0	0	590.696	2.986	1	0		KFAFRN
CCOC(=O)CC(=O)NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c2cccc3Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000653740631	562910197	/nfs/dbraw/zinc/91/01/97/562910197.db2.gz	HXLVZYYGIMPEJH-PWWSGAPCSA-N	0	0	557.043	2.812	1	0		KFAFRN
O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCS(=O)(=O)CC2)c2cc(F)ccc2c1=O	ZINC000653741140	562910210	/nfs/dbraw/zinc/91/02/10/562910210.db2.gz	CLTGOAWMYNKVSP-UHFFFAOYSA-N	0	0	501.624	2.570	1	0		KFAFRN
COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@@H](C)[C@H]([C@H](C)CCCCCCCCCCCC(C)C)OC1=O	ZINC000653742632	562910239	/nfs/dbraw/zinc/91/02/39/562910239.db2.gz	CSQLTPPKKYNCMH-MCZDVMRMSA-N	0	0	639.831	2.642	1	0		KFAFRN
COC(=O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)/C=C/[C@@H](CO)NC(=O)[C@H](C)[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O	ZINC000653743731	562910247	/nfs/dbraw/zinc/91/02/47/562910247.db2.gz	CSQLTPPKKYNCMH-URJQXVGGSA-N	0	0	639.831	2.642	1	0		KFAFRN
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(NCC(F)(F)F)Oc3ccc(Cl)cc3)O2)cc1F	ZINC000653747392	562910471	/nfs/dbraw/zinc/91/04/71/562910471.db2.gz	DJPKVMBHUQIYEE-HJTPPVPUSA-N	0	0	517.756	2.745	1	0		KFAFRN
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(NCC(F)(F)F)Oc3ccc(Cl)cc3)O2)cc1F	ZINC000653747393	562910465	/nfs/dbraw/zinc/91/04/65/562910465.db2.gz	DJPKVMBHUQIYEE-ZISDEGOCSA-N	0	0	517.756	2.745	1	0		KFAFRN
CC1(C)CN(C2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CCC(F)(F)C4)n3)C2)CCO1	ZINC000653753082	562910795	/nfs/dbraw/zinc/91/07/95/562910795.db2.gz	WPTIZQMPUQSTOZ-UHFFFAOYSA-N	0	0	511.524	2.867	1	0		KFAFRN
Cc1oc([C@H](CC(C)C)NC(=O)c2cc3ccccc3o2)nc1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000653754290	562910808	/nfs/dbraw/zinc/91/08/08/562910808.db2.gz	ABKGWTPYZKUKGT-IRXDYDNUSA-N	0	0	512.567	2.693	1	0		KFAFRN
Cc1oc([C@H](CC(C)C)NC(=O)c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000653754306	562910800	/nfs/dbraw/zinc/91/08/00/562910800.db2.gz	HZZPWXWAJRDGNZ-IRXDYDNUSA-N	0	0	540.543	2.965	1	0		KFAFRN
Cc1oc([C@H](CC(C)C)NC(=O)Nc2ccc(C)cc2)nc1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000653755657	562910910	/nfs/dbraw/zinc/91/09/10/562910910.db2.gz	NHUGXMGRMIMXFG-ROUUACIJSA-N	0	0	501.588	2.647	1	0		KFAFRN
COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@H]4[C@H](c5ccc(O)c(OC)c5)OC[C@@]34O)cc2OC)ccc1O	ZINC000653778456	562912003	/nfs/dbraw/zinc/91/20/03/562912003.db2.gz	RFPCHLZTNNYBAH-KTBRTDQUSA-N	0	0	600.617	2.796	1	0		KFAFRN
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(nc(C5CC5)nc4-c4ccccn4)C3)c21	ZINC000653781606	562912178	/nfs/dbraw/zinc/91/21/78/562912178.db2.gz	MKDNUMBZQJIYGT-UHFFFAOYSA-N	0	0	535.568	2.958	1	0		KFAFRN
C[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000653784953	562912340	/nfs/dbraw/zinc/91/23/40/562912340.db2.gz	DQANXPFOPIEFAD-KZNIJNHCSA-N	0	0	595.700	2.545	1	0		KFAFRN
Nc1ccc2c(c1)c(C(=O)N1CCN(C(=O)[C@H]3COc4ccccc4C3=O)CC1)cn2-c1cccc(N)c1	ZINC000653787729	562912484	/nfs/dbraw/zinc/91/24/84/562912484.db2.gz	MCPRZFWCOJUNHZ-DEOSSOPVSA-N	0	0	509.566	2.971	1	0		KFAFRN
Nc1ccc2c(c1)c(C(=O)N1CCN(C(=O)[C@@H]3COc4ccccc4C3=O)CC1)cn2-c1cccc(N)c1	ZINC000653787730	562912460	/nfs/dbraw/zinc/91/24/60/562912460.db2.gz	MCPRZFWCOJUNHZ-XMMPIXPASA-N	0	0	509.566	2.971	1	0		KFAFRN
COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)n[nH]c4C(=O)N[C@@H](C)C(N)=O)c2C(F)(F)F)cc1	ZINC000653792885	562912725	/nfs/dbraw/zinc/91/27/25/562912725.db2.gz	IGQMGCRSLGRVOI-NSHDSACASA-N	0	0	515.452	2.632	1	0		KFAFRN
Cn1ccnc1SC[C@H](O)C[NH2+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	ZINC000653795283	562913034	/nfs/dbraw/zinc/91/30/34/562913034.db2.gz	PMMNFZPVQZDAKP-DZGCQCFKSA-N	0	0	536.029	2.882	1	0		KFAFRN
Cn1ccnc1SC[C@@H](O)C[NH2+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	ZINC000653795284	562913017	/nfs/dbraw/zinc/91/30/17/562913017.db2.gz	PMMNFZPVQZDAKP-HIFRSBDPSA-N	0	0	536.029	2.882	1	0		KFAFRN
Cn1ccnc1SC[C@H](O)C[NH2+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	ZINC000653795285	562913032	/nfs/dbraw/zinc/91/30/32/562913032.db2.gz	PMMNFZPVQZDAKP-UKRRQHHQSA-N	0	0	536.029	2.882	1	0		KFAFRN
Cn1ccnc1SC[C@@H](O)C[NH2+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	ZINC000653795286	562913031	/nfs/dbraw/zinc/91/30/31/562913031.db2.gz	PMMNFZPVQZDAKP-ZFWWWQNUSA-N	0	0	536.029	2.882	1	0		KFAFRN
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@H]4C[C@@H](C3)N4C[C@H]([NH3+])C(=O)[O-])nc(N)n2)C(F)(F)F)n1	ZINC000653798102	562913170	/nfs/dbraw/zinc/91/31/70/562913170.db2.gz	UORFJCYHCGKVPL-ATUDVECKSA-N	0	0	566.972	2.564	1	0		KFAFRN
CCOC(=O)CCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1	ZINC000653799626	562913322	/nfs/dbraw/zinc/91/33/22/562913322.db2.gz	VXOSHKVRVDJROE-HHHXNRCGSA-N	0	0	616.719	2.882	1	0		KFAFRN
CCCC(=O)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1	ZINC000653799947	562913358	/nfs/dbraw/zinc/91/33/58/562913358.db2.gz	KRLOGBRZUPUZMH-UHFFFAOYSA-N	0	0	563.636	2.762	1	0		KFAFRN
CC(C)C(=O)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1	ZINC000653799976	562913414	/nfs/dbraw/zinc/91/34/14/562913414.db2.gz	QSDCBARTQCUAKJ-UHFFFAOYSA-N	0	0	563.636	2.618	1	0		KFAFRN
C[C@H](NC(=O)c1[nH]nc2cc(NC(=O)Nc3ccc(C(F)(F)F)c(N4CCOCC4)c3)ccc21)C(N)=O	ZINC000653807486	562913715	/nfs/dbraw/zinc/91/37/15/562913715.db2.gz	FJTZUJJIFYAZHK-LBPRGKRZSA-N	0	0	519.484	2.666	1	0		KFAFRN
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCC4(C3)CCN(C(=O)c3ccccc3)CC4)c21	ZINC000653808455	562913744	/nfs/dbraw/zinc/91/37/44/562913744.db2.gz	VUZWSXASKUTDJC-UHFFFAOYSA-N	0	0	527.585	2.798	1	0		KFAFRN
COc1cc([C@@H]2C3=C(COC3=O)N(CCN3CCOCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC	ZINC000653821702	562914140	/nfs/dbraw/zinc/91/41/40/562914140.db2.gz	VHZUNYDQQLWNFN-DEOSSOPVSA-N	0	0	510.543	2.536	1	0		KFAFRN
COc1cc([C@H]2C3=C(COC3=O)N(CCN3CCOCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC	ZINC000653821703	562914126	/nfs/dbraw/zinc/91/41/26/562914126.db2.gz	VHZUNYDQQLWNFN-XMMPIXPASA-N	0	0	510.543	2.536	1	0		KFAFRN
Cc1ccc([C@@H](C)OC[C@H](O)C[NH2+]C(C)(C)Cc2ccc3c(c2)CCS3(=O)=O)c2c1O[C@H]1[C@@H]2[C@@H]1C(=O)[O-]	ZINC000653826060	562914437	/nfs/dbraw/zinc/91/44/37/562914437.db2.gz	DEPPRTSRAWNRFY-CHHKLKOWSA-N	0	0	529.655	2.933	1	0		KFAFRN
COC(=O)[C@@H]1CCC(=O)NCCCCCCn2cc(nn2)C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N1	ZINC000653834562	562914653	/nfs/dbraw/zinc/91/46/53/562914653.db2.gz	SCJBFQPJULOHAQ-AWCRTANDSA-N	0	0	667.808	2.699	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C/c4cccs4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653848713	562915337	/nfs/dbraw/zinc/91/53/37/562915337.db2.gz	KGRVONNUIAAVLW-YJMKQLHBSA-N	0	0	638.655	2.683	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C/c4ccc(C)cc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653849261	562915385	/nfs/dbraw/zinc/91/53/85/562915385.db2.gz	BJCINHFVRJOICV-JCSGGGHGSA-N	0	0	646.653	2.930	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C\c4cccs4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653849282	562915407	/nfs/dbraw/zinc/91/54/07/562915407.db2.gz	KGRVONNUIAAVLW-XGAVJLGYSA-N	0	0	638.655	2.683	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C/c4ccccc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653849315	562915413	/nfs/dbraw/zinc/91/54/13/562915413.db2.gz	VYRZOENJUSOXHY-KEWMDNMHSA-N	0	0	632.626	2.621	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C\c4ccccc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653849316	562915386	/nfs/dbraw/zinc/91/53/86/562915386.db2.gz	VYRZOENJUSOXHY-XBUBZKNESA-N	0	0	632.626	2.621	1	0		KFAFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C\c4ccc(C)cc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653850028	562915433	/nfs/dbraw/zinc/91/54/33/562915433.db2.gz	BJCINHFVRJOICV-MEEXTCEJSA-N	0	0	646.653	2.930	1	0		KFAFRN
CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H](O)C[C@@H]5COC(=O)[C@@]5(C)O)[C@@]4(C)CC[C@@H]3[C@]21C	ZINC000653851963	562915574	/nfs/dbraw/zinc/91/55/74/562915574.db2.gz	JTTNXCPQWKBGNX-RSDJRWNQSA-N	0	0	534.690	2.894	1	0		KFAFRN
CC(=O)O[C@@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H](O)C[C@@H]5COC(=O)[C@@]5(C)O)[C@@]4(C)CC[C@@H]3[C@]21C	ZINC000653851966	562915582	/nfs/dbraw/zinc/91/55/82/562915582.db2.gz	JTTNXCPQWKBGNX-VOMWWDLTSA-N	0	0	534.690	2.894	1	0		KFAFRN
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)NCCCN2CCOCC2)n3C)cc1	ZINC000653853998	562915692	/nfs/dbraw/zinc/91/56/92/562915692.db2.gz	MQIDSTYDNWIAEV-IBGZPJMESA-N	0	0	565.675	2.939	1	0		KFAFRN
COc1ccc(/C=C2/c3ccccc3N(Cc3cn([C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)C2=O)cc1OC	ZINC000653854622	562915675	/nfs/dbraw/zinc/91/56/75/562915675.db2.gz	VMRIPGNDTNYLRH-PTDVVJGSSA-N	0	0	692.678	2.638	1	0		KFAFRN
CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCc3ccccc3)c1F)c2=O	ZINC000653857948	562915823	/nfs/dbraw/zinc/91/58/23/562915823.db2.gz	KIWHVDKXYWSISW-UHFFFAOYSA-N	0	0	542.545	2.649	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)C[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C/C(=O)N2CCCC2)C[C@@H]2CCNC2=O)C(C)C)no1	ZINC000653857976	562915837	/nfs/dbraw/zinc/91/58/37/562915837.db2.gz	SYAYMOAHUBWQNN-USJKECIBSA-N	0	0	623.726	2.884	1	0		KFAFRN
CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CCOC3CN(C)C3)c2n1	ZINC000653858621	562915882	/nfs/dbraw/zinc/91/58/82/562915882.db2.gz	KZHMCSYYLVKDCX-UHFFFAOYSA-N	0	0	506.994	2.944	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C	ZINC000653863979	562916080	/nfs/dbraw/zinc/91/60/80/562916080.db2.gz	SRAVKBAIVXTBKH-HMFOHWCYSA-N	0	0	607.708	2.600	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1ccc2ccn(C)c2c1=O	ZINC000653869287	562916323	/nfs/dbraw/zinc/91/63/23/562916323.db2.gz	WROGOJPYPUDVKM-ASIBPIOQSA-N	0	0	540.567	2.532	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C	ZINC000653869291	562916352	/nfs/dbraw/zinc/91/63/52/562916352.db2.gz	YTKLMWOMRCBEFO-UTCKAQIRSA-N	0	0	613.756	2.665	1	0		KFAFRN
O=C(CNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)C(=Cc1c[nH]cn1)C(=O)N2	ZINC000653874656	562916635	/nfs/dbraw/zinc/91/66/35/562916635.db2.gz	ZWERENZUADIUDM-JMIUGGIZSA-N	0	0	530.491	2.759	1	0		KFAFRN
COc1ccccc1CO[P@](=O)(NCc1ccccc1)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000653887482	562917057	/nfs/dbraw/zinc/91/70/57/562917057.db2.gz	DGXQSIBZZIHTMZ-OULPMPFXSA-N	0	0	535.465	2.876	1	0		KFAFRN
COc1ccccc1CO[P@@](=O)(NCc1ccccc1)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000653887483	562917015	/nfs/dbraw/zinc/91/70/15/562917015.db2.gz	DGXQSIBZZIHTMZ-QDQVXBDLSA-N	0	0	535.465	2.876	1	0		KFAFRN
COc1cccc(CO[P@@](=O)(NCc2ccccc2)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)c1	ZINC000653887597	562917084	/nfs/dbraw/zinc/91/70/84/562917084.db2.gz	UUDQRLQFBAILND-UREKMEAOSA-N	0	0	535.465	2.876	1	0		KFAFRN
COc1cccc(CO[P@](=O)(NCc2ccccc2)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)c1	ZINC000653887598	562917089	/nfs/dbraw/zinc/91/70/89/562917089.db2.gz	UUDQRLQFBAILND-YPKONHKJSA-N	0	0	535.465	2.876	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)C[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C2\C[C@@H](C)OC2=O)C[C@@H]2CCNC2=O)C(C)C)no1	ZINC000653893438	562917263	/nfs/dbraw/zinc/91/72/63/562917263.db2.gz	LOCODPBHTOJRKZ-MXNDHZGNSA-N	0	0	610.683	2.967	1	0		KFAFRN
Cc1cc(C(=O)N[C@H](C(=O)C[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C2\C[C@H](C)OC2=O)C[C@@H]2CCNC2=O)C(C)C)no1	ZINC000653893439	562917273	/nfs/dbraw/zinc/91/72/73/562917273.db2.gz	LOCODPBHTOJRKZ-ZDNJLUPISA-N	0	0	610.683	2.967	1	0		KFAFRN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1ccc2cc[nH]c2c1=O	ZINC000653894799	562917297	/nfs/dbraw/zinc/91/72/97/562917297.db2.gz	LOZACZCCTUYXAK-SKCSIGSZSA-N	0	0	526.540	2.522	1	0		KFAFRN
O=c1c(F)cn(Cc2cn(Cc3ccccc3Cl)nn2)c(=O)n1Cc1cn(Cc2ccccc2Cl)nn1	ZINC000653895428	562917332	/nfs/dbraw/zinc/91/73/32/562917332.db2.gz	JFIWNERHTBWFAS-UHFFFAOYSA-N	0	0	541.374	2.832	1	0		KFAFRN
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(NCc3ccccc3)OCc3ccccc3)O2)cc1F	ZINC000653900940	562917540	/nfs/dbraw/zinc/91/75/40/562917540.db2.gz	OANLFBOGDBZAEZ-FLDRQGCBSA-N	0	0	505.439	2.868	1	0		KFAFRN
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(NCc3ccccc3)OCc3ccccc3)O2)cc1F	ZINC000653900941	562917546	/nfs/dbraw/zinc/91/75/46/562917546.db2.gz	OANLFBOGDBZAEZ-QHNAXGDKSA-N	0	0	505.439	2.868	1	0		KFAFRN
CN1CCOC[C@@H]1COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1	ZINC000653903326	562917534	/nfs/dbraw/zinc/91/75/34/562917534.db2.gz	MIVMDOZOBQDGCX-VLIAUNLRSA-N	0	0	530.944	2.922	1	0		KFAFRN
O=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000033435747	553960278	/nfs/dbraw/zinc/96/02/78/553960278.db2.gz	OJQHBTZVDGDXKY-DOTOQJQBSA-N	0	0	503.588	2.805	2	0		KFAFRN
O=C(Nc1snnc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000101377997	554747067	/nfs/dbraw/zinc/74/70/67/554747067.db2.gz	YJZMTYUMYJOHCO-DLBZAZTESA-N	0	0	540.049	2.967	2	0		KFAFRN
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O)NCc1ccco1	ZINC000002967558	561681305	/nfs/dbraw/zinc/68/13/05/561681305.db2.gz	PSJRFFDISQCUCE-FQEVSTJZSA-N	0	0	505.556	2.977	3	0		KFAFRN
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O)NCc1ccco1	ZINC000002967559	561681266	/nfs/dbraw/zinc/68/12/66/561681266.db2.gz	PSJRFFDISQCUCE-HXUWFJFHSA-N	0	0	505.556	2.977	3	0		KFAFRN
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1Cl	ZINC000003242966	561681549	/nfs/dbraw/zinc/68/15/49/561681549.db2.gz	QLEYDRZITMBCJV-UHFFFAOYSA-N	0	0	546.001	2.900	3	0		KFAFRN
COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)c2)cc1	ZINC000003329116	561681752	/nfs/dbraw/zinc/68/17/52/561681752.db2.gz	YBAMZAFGTQQHMU-UHFFFAOYSA-N	0	0	514.512	2.768	3	0		KFAFRN
O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1	ZINC000003407798	561681849	/nfs/dbraw/zinc/68/18/49/561681849.db2.gz	AECLNBOONHPSJE-VGSSETLESA-N	0	0	511.528	2.661	3	0		KFAFRN
CCCCCn1c(SCC(=O)CC(=O)OCC)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O	ZINC000004177708	561694120	/nfs/dbraw/zinc/69/41/20/561694120.db2.gz	PWRZLKQQHCJPHC-UHFFFAOYSA-N	0	0	530.647	2.539	3	0		KFAFRN
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC	ZINC000006074627	561702576	/nfs/dbraw/zinc/70/25/76/561702576.db2.gz	JSRWRLODEGPMOQ-FDDCHVKYSA-N	0	0	526.594	2.614	3	0		KFAFRN
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC	ZINC000006074629	561702573	/nfs/dbraw/zinc/70/25/73/561702573.db2.gz	JSRWRLODEGPMOQ-WZONZLPQSA-N	0	0	526.594	2.614	3	0		KFAFRN
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC	ZINC000006075038	561702543	/nfs/dbraw/zinc/70/25/43/561702543.db2.gz	JSRWRLODEGPMOQ-MBSDFSHPSA-N	0	0	526.594	2.614	3	0		KFAFRN
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC	ZINC000006075040	561702609	/nfs/dbraw/zinc/70/26/09/561702609.db2.gz	JSRWRLODEGPMOQ-JPYJTQIMSA-N	0	0	526.594	2.614	3	0		KFAFRN
COc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1OC	ZINC000006297951	561702775	/nfs/dbraw/zinc/70/27/75/561702775.db2.gz	FKIMNBQQOREMEV-SFTDATJTSA-N	0	0	554.687	2.531	3	0		KFAFRN
COc1cccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1OC	ZINC000006297964	561702790	/nfs/dbraw/zinc/70/27/90/561702790.db2.gz	FKIMNBQQOREMEV-LEWJYISDSA-N	0	0	554.687	2.531	3	0		KFAFRN
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1	ZINC000006860636	561703339	/nfs/dbraw/zinc/70/33/39/561703339.db2.gz	PWTDHIFTPVAZLX-KKSFZXQISA-N	0	0	511.604	2.971	3	0		KFAFRN
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1	ZINC000006860639	561703365	/nfs/dbraw/zinc/70/33/65/561703365.db2.gz	PWTDHIFTPVAZLX-IERDGZPVSA-N	0	0	511.604	2.971	3	0		KFAFRN
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1	ZINC000006860715	561703335	/nfs/dbraw/zinc/70/33/35/561703335.db2.gz	PWTDHIFTPVAZLX-HRAATJIYSA-N	0	0	511.604	2.971	3	0		KFAFRN
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1	ZINC000006860716	561703340	/nfs/dbraw/zinc/70/33/40/561703340.db2.gz	PWTDHIFTPVAZLX-IIBYNOLFSA-N	0	0	511.604	2.971	3	0		KFAFRN
COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccncc3)nc2SCC(=O)Nc2nccs2)cc1	ZINC000006879051	561703343	/nfs/dbraw/zinc/70/33/43/561703343.db2.gz	UIKVJQOEXPUPLX-UHFFFAOYSA-N	0	0	509.573	2.953	3	0		KFAFRN
Cn1c(=O)c(C(=O)COC(=O)c2cc(C(F)(F)F)nc3ccccc32)c(N)n(Cc2ccccc2)c1=O	ZINC000008626744	561706411	/nfs/dbraw/zinc/70/64/11/561706411.db2.gz	NQVQAXVAYLRDHN-UHFFFAOYSA-N	0	0	512.444	2.784	3	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2[C@@H](CC(=O)[C@@H]2CC(=O)C(=O)N2CCCC2)CN1C(=O)c1ccccc1	ZINC000008628864	561706373	/nfs/dbraw/zinc/70/63/73/561706373.db2.gz	ADNFPHDFCQHUOV-LFDDTDBDSA-N	0	0	534.584	2.839	3	0		KFAFRN
Cn1c(N)c(C(=O)COC(=O)c2cc(C(F)(F)F)nc3ccccc32)c(=O)n(Cc2ccccc2)c1=O	ZINC000008679930	561706910	/nfs/dbraw/zinc/70/69/10/561706910.db2.gz	RMNQTQVBOHIKLD-UHFFFAOYSA-N	0	0	512.444	2.784	3	0		KFAFRN
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000008684437	561707446	/nfs/dbraw/zinc/70/74/46/561707446.db2.gz	RSIIEHLAOAUETQ-WEKSBHCLSA-N	0	0	505.637	2.530	3	0		KFAFRN
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000008684438	561707433	/nfs/dbraw/zinc/70/74/33/561707433.db2.gz	RSIIEHLAOAUETQ-BYRKXKEESA-N	0	0	505.637	2.530	3	0		KFAFRN
NC(=O)CNC(=O)[C@@H]1C[C@@]2(CC(c3cccc(Br)c3)=NO2)CN1C(=O)c1ccc(Br)cc1	ZINC000008691387	561708029	/nfs/dbraw/zinc/70/80/29/561708029.db2.gz	AVMADRBYSZXKDG-AVRDEDQJSA-N	0	0	564.234	2.591	3	0		KFAFRN
NC(=O)CNC(=O)[C@@H]1C[C@]2(CC(c3cccc(Br)c3)=NO2)CN1C(=O)c1ccc(Br)cc1	ZINC000008691388	561708022	/nfs/dbraw/zinc/70/80/22/561708022.db2.gz	AVMADRBYSZXKDG-PGRDOPGGSA-N	0	0	564.234	2.591	3	0		KFAFRN
COCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1SCc1cccc(OC)c1OC	ZINC000009497085	561708999	/nfs/dbraw/zinc/70/89/99/561708999.db2.gz	WECIOOPLPXQPBM-UHFFFAOYSA-N	0	0	524.661	2.783	3	0		KFAFRN
O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)N[C@H]1CCS(=O)(=O)C1	ZINC000013120429	561711435	/nfs/dbraw/zinc/71/14/35/561711435.db2.gz	AECLNBOONHPSJE-VZWMTCDZSA-N	0	0	511.528	2.661	3	0		KFAFRN
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)CC)cc3)o2)n1	ZINC000013151215	561711612	/nfs/dbraw/zinc/71/16/12/561711612.db2.gz	VEESFZCJALGYRA-UHFFFAOYSA-N	0	0	511.607	2.791	3	0		KFAFRN
C[C@@H](O)Cc1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000013478052	561714819	/nfs/dbraw/zinc/71/48/19/561714819.db2.gz	PEQQXRNEHGNAGV-QUCCMNQESA-N	0	0	524.663	2.517	3	0		KFAFRN
C[C@H](O)Cc1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC000013478053	561714799	/nfs/dbraw/zinc/71/47/99/561714799.db2.gz	PEQQXRNEHGNAGV-ICSRJNTNSA-N	0	0	524.663	2.517	3	0		KFAFRN
CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CO)NC(=O)OC(C)(C)C)nn1	ZINC000013478097	561714795	/nfs/dbraw/zinc/71/47/95/561714795.db2.gz	OSVQEZVYDMPVBA-UHOSZYNNSA-N	0	0	510.636	2.503	3	0		KFAFRN
CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CO)NC(=O)OC(C)(C)C)nn1	ZINC000013478099	561714804	/nfs/dbraw/zinc/71/48/04/561714804.db2.gz	OSVQEZVYDMPVBA-QXAKKESOSA-N	0	0	510.636	2.503	3	0		KFAFRN
CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CO)NC(=O)OC(C)(C)C)nn1	ZINC000013478101	561714798	/nfs/dbraw/zinc/71/47/98/561714798.db2.gz	OSVQEZVYDMPVBA-WDSOQIARSA-N	0	0	510.636	2.503	3	0		KFAFRN
CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CO)NC(=O)OC(C)(C)C)nn1	ZINC000013478102	561714811	/nfs/dbraw/zinc/71/48/11/561714811.db2.gz	OSVQEZVYDMPVBA-YTQUADARSA-N	0	0	510.636	2.503	3	0		KFAFRN
C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1	ZINC000015935305	561753191	/nfs/dbraw/zinc/75/31/91/561753191.db2.gz	LDOVLPBICSRSNW-RXVVDRJESA-N	0	0	520.586	2.954	3	0		KFAFRN
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000015935307	561753246	/nfs/dbraw/zinc/75/32/46/561753246.db2.gz	QBNOSUJIXGQOJL-IBGZPJMESA-N	0	0	527.622	2.785	3	0		KFAFRN
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1	ZINC000015935510	561753171	/nfs/dbraw/zinc/75/31/71/561753171.db2.gz	BWBIQYALZKNOJQ-FQEVSTJZSA-N	0	0	506.559	2.566	3	0		KFAFRN
CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2[nH]cnc2C(=O)NCC(=O)OCc2ccccc2)cc1	ZINC000015937107	561753315	/nfs/dbraw/zinc/75/33/15/561753315.db2.gz	LMBCCAAXSVXJCK-UHFFFAOYSA-N	0	0	521.574	2.838	3	0		KFAFRN
CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	ZINC000015937366	561753401	/nfs/dbraw/zinc/75/34/01/561753401.db2.gz	VGLNRRAIPMBEPR-FQEVSTJZSA-N	0	0	506.559	2.566	3	0		KFAFRN
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000015937372	561753412	/nfs/dbraw/zinc/75/34/12/561753412.db2.gz	KRLKAHWTOUBUEI-NRFANRHFSA-N	0	0	506.559	2.771	3	0		KFAFRN
C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C	ZINC000015937376	561753441	/nfs/dbraw/zinc/75/34/41/561753441.db2.gz	BXSRKSXLTNUCCD-RXVVDRJESA-N	0	0	520.586	2.954	3	0		KFAFRN
CCCCN1CC(=O)N2[C@H](c3ccc(OC)cc3)[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]2(Cc2ccccc2)C1=O	ZINC000015941135	561753476	/nfs/dbraw/zinc/75/34/76/561753476.db2.gz	FMKFVWDWQSYDFG-DOUCHOMGSA-N	0	0	503.599	2.823	3	0		KFAFRN
C[C@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1	ZINC000015953050	561753637	/nfs/dbraw/zinc/75/36/37/561753637.db2.gz	CPNMUBRMIYDKPX-KRWDZBQOSA-N	0	0	501.584	2.696	3	0		KFAFRN
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1	ZINC000015953054	561753625	/nfs/dbraw/zinc/75/36/25/561753625.db2.gz	CRCMBCPMUHRGDH-FQEVSTJZSA-N	0	0	527.622	2.991	3	0		KFAFRN
C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C	ZINC000015953070	561753670	/nfs/dbraw/zinc/75/36/70/561753670.db2.gz	KRWJRSCCLBBOLF-HNNXBMFYSA-N	0	0	501.584	2.824	3	0		KFAFRN
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1nc2ccccc2[nH]1	ZINC000016050264	561753719	/nfs/dbraw/zinc/75/37/19/561753719.db2.gz	NUQPVEQGRIJVAN-JOCHJYFZSA-N	0	0	515.661	2.640	3	0		KFAFRN
CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CO)NC(=O)OC(C)(C)C)nn1	ZINC000017307037	561754686	/nfs/dbraw/zinc/75/46/86/561754686.db2.gz	YDMKLUGMKGBARW-UXHICEINSA-N	0	0	582.699	2.579	3	0		KFAFRN
CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CO)NC(=O)OC(C)(C)C)nn1	ZINC000017307042	561754700	/nfs/dbraw/zinc/75/47/00/561754700.db2.gz	YDMKLUGMKGBARW-PMACEKPBSA-N	0	0	582.699	2.579	3	0		KFAFRN
COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)c1	ZINC000017337541	561755049	/nfs/dbraw/zinc/75/50/49/561755049.db2.gz	GJAYLEIPDADHOE-UHFFFAOYSA-N	0	0	553.685	2.755	3	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2Nc3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)c2ccc(Br)cc2)C3=N1	ZINC000017544588	561755385	/nfs/dbraw/zinc/75/53/85/561755385.db2.gz	JPYXYCVVLKTVFJ-SZCFDOLESA-N	0	0	568.380	2.581	3	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)c2ccc(Br)cc2)C3=N1	ZINC000017544591	561755359	/nfs/dbraw/zinc/75/53/59/561755359.db2.gz	PYOGPXFQBWWJME-DHGLHQTCSA-N	0	0	582.407	2.605	3	0		KFAFRN
O=C(C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000017544701	561755482	/nfs/dbraw/zinc/75/54/82/561755482.db2.gz	GIWHWNDUWUJQHN-RBISFHTESA-N	0	0	538.597	2.991	3	0		KFAFRN
O=C(C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000017544820	561755658	/nfs/dbraw/zinc/75/56/58/561755658.db2.gz	GIWHWNDUWUJQHN-DFHRPNOPSA-N	0	0	538.597	2.991	3	0		KFAFRN
CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	ZINC000017544974	561755772	/nfs/dbraw/zinc/75/57/72/561755772.db2.gz	GCFHWNYWBNODAW-INIZCTEOSA-N	0	0	553.657	2.616	3	0		KFAFRN
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(Cc4ccccc4)c4ccccc4[C@]23C[C@H]1C(=O)OC	ZINC000017654348	561757412	/nfs/dbraw/zinc/75/74/12/561757412.db2.gz	SDUJUGSOWFZHOQ-JHBZDSIHSA-N	0	0	547.564	2.729	3	0		KFAFRN
COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)C2CCC2)C3=N1	ZINC000017654391	561757418	/nfs/dbraw/zinc/75/74/18/561757418.db2.gz	KFHSEUZDWNXUSJ-OUDJYXRWSA-N	0	0	557.603	2.899	3	0		KFAFRN
COc1ccc(OC[C@@H](O)CNC(=O)c2cccc3c2C(=O)c2ccc(Cl)cc2S3(=O)=O)cc1	ZINC000036382290	562059839	/nfs/dbraw/zinc/05/98/39/562059839.db2.gz	MKMCXYHSJGHUBJ-HNNXBMFYSA-N	0	0	501.944	2.896	3	0		KFAFRN
CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc[nH]c2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000036388079	562060370	/nfs/dbraw/zinc/06/03/70/562060370.db2.gz	RGQJFQVFWGRCQZ-UHFFFAOYSA-N	0	0	520.631	2.668	3	0		KFAFRN
CC(C)(C)OC(=O)NCCCCCNC(=O)c1nc[nH]c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000036388112	562060378	/nfs/dbraw/zinc/06/03/78/562060378.db2.gz	DVLZLFUWANBUAX-UHFFFAOYSA-N	0	0	522.647	2.964	3	0		KFAFRN
CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000036388212	562060350	/nfs/dbraw/zinc/06/03/50/562060350.db2.gz	GKPYQQTTZMSOSM-UHFFFAOYSA-N	0	0	508.620	2.527	3	0		KFAFRN
CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)CN(Cc3ccco3)C(=O)[C@@]12C	ZINC000036389018	562060456	/nfs/dbraw/zinc/06/04/56/562060456.db2.gz	VHHDEENHCRQICU-LOODEUFTSA-N	0	0	503.349	2.914	3	0		KFAFRN
O=C(CNC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1	ZINC000038139183	562062493	/nfs/dbraw/zinc/06/24/93/562062493.db2.gz	UELJRAUILSLRDJ-DEOSSOPVSA-N	0	0	540.576	2.967	3	0		KFAFRN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F	ZINC000038144611	562064135	/nfs/dbraw/zinc/06/41/35/562064135.db2.gz	IHEWBXOGQLEYQR-OAQYLSRUSA-N	0	0	579.647	2.795	3	0		KFAFRN
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC	ZINC000038145002	562064130	/nfs/dbraw/zinc/06/41/30/562064130.db2.gz	BLOZRNVAUGOBRO-SBUREZEXSA-N	0	0	553.641	2.833	3	0		KFAFRN
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC	ZINC000038145003	562064151	/nfs/dbraw/zinc/06/41/51/562064151.db2.gz	BLOZRNVAUGOBRO-GAJHUEQPSA-N	0	0	553.641	2.833	3	0		KFAFRN
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC	ZINC000038145004	562064152	/nfs/dbraw/zinc/06/41/52/562064152.db2.gz	BLOZRNVAUGOBRO-HXOBKFHXSA-N	0	0	553.641	2.833	3	0		KFAFRN
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC	ZINC000038145005	562064128	/nfs/dbraw/zinc/06/41/28/562064128.db2.gz	BLOZRNVAUGOBRO-UZUQRXQVSA-N	0	0	553.641	2.833	3	0		KFAFRN
O=C1[C@H]2[C@@H](C3CC3)N3C(=O)CN(Cc4ccccn4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1	ZINC000038145420	562064146	/nfs/dbraw/zinc/06/41/46/562064146.db2.gz	QYRRHOKYPQZNAJ-ACXCVDCASA-N	0	0	520.589	2.832	3	0		KFAFRN
O=C1[C@H]2[C@@H](C=Cc3ccccc3)N3C(=O)CN(CCO)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1	ZINC000038145421	562064124	/nfs/dbraw/zinc/06/41/24/562064124.db2.gz	BQTFGMYSGFLQAC-RHCWJJHVSA-N	0	0	535.600	2.532	3	0		KFAFRN
COC(=O)CN1C(=O)[C@H]2[C@@H](/C=C/c3ccccc3)N3C(=O)CN(Cc4ccccc4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C1=O	ZINC000038145427	562064131	/nfs/dbraw/zinc/06/41/31/562064131.db2.gz	QLNNHBBRBSIJKD-SZGFCYDJSA-N	0	0	577.637	2.709	3	0		KFAFRN
COC(=O)CN1C(=O)[C@H]2[C@@H](c3ccc(C)o3)N3C(=O)CN(Cc4ccc(-c5ccccc5)cc4)C(=O)[C@@]3(C)[C@H]2C1=O	ZINC000038145435	562064133	/nfs/dbraw/zinc/06/41/33/562064133.db2.gz	PEOXNYIVSJEGLR-ACXCVDCASA-N	0	0	555.587	2.714	3	0		KFAFRN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)c(OC)c1	ZINC000038147096	562065477	/nfs/dbraw/zinc/06/54/77/562065477.db2.gz	KAAZHHGASCCGOG-UHFFFAOYSA-N	0	0	545.571	2.621	3	0		KFAFRN
COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C(=O)OC)c2ccccc2)c1	ZINC000038152150	562067108	/nfs/dbraw/zinc/06/71/08/562067108.db2.gz	MJWJERQDSKMRBE-DNQXCXABSA-N	0	0	560.650	2.756	3	0		KFAFRN
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000038152225	562067119	/nfs/dbraw/zinc/06/71/19/562067119.db2.gz	JIGMZOHVFGWCIL-UHFFFAOYSA-N	0	0	530.581	2.975	3	0		KFAFRN
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	ZINC000043663857	562650694	/nfs/dbraw/zinc/65/06/94/562650694.db2.gz	AOHIGMQGPFTKQX-ZHFWDHFZSA-N	0	0	518.691	2.720	3	0		KFAFRN
CCCNC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)[C@@H]3N(Cc4ccccc4)c4ccccc4[C@]23C[C@H]1CO	ZINC000059796318	562702310	/nfs/dbraw/zinc/70/23/10/562702310.db2.gz	VIOQQWRYRWKWGV-KADOZOMVSA-N	0	0	532.597	2.512	3	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(C[C@H](O)CO)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000059880538	562702423	/nfs/dbraw/zinc/70/24/23/562702423.db2.gz	FMBUZPGJJBXISO-VQSQZBBWSA-N	0	0	601.700	2.652	3	0		KFAFRN
COc1cc(CN2C[C@H](n3cnc4c3ncnc4Nc3ccccc3)O[C@H](CO)C2)cc(OC)c1OC	ZINC000061896996	562702905	/nfs/dbraw/zinc/70/29/05/562702905.db2.gz	DWXOHLLBIYLMEJ-SIKLNZKXSA-N	0	0	506.563	2.988	3	0		KFAFRN
COc1ccc(CN2C[C@H](n3cnc4c3ncnc4N3CCN(c4ccccc4)CC3)O[C@H](CO)C2)cc1	ZINC000061898591	562702951	/nfs/dbraw/zinc/70/29/51/562702951.db2.gz	RVMITBUHIXGQRN-LOSJGSFVSA-N	0	0	515.618	2.553	3	0		KFAFRN
COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3cccs3)C[C@@H](CO)O2)cc(OC)c1OC	ZINC000061905427	562703051	/nfs/dbraw/zinc/70/30/51/562703051.db2.gz	KYALPWMKRPSWCA-LAUBAEHRSA-N	0	0	526.619	2.918	3	0		KFAFRN
OC[C@@H]1CN(Cc2ccc(F)cc2)C[C@H](n2cnc3c2ncnc3N2CCN(c3ccccc3)CC2)O1	ZINC000061907263	562703101	/nfs/dbraw/zinc/70/31/01/562703101.db2.gz	GBBBWCKJAYIUNI-BJKOFHAPSA-N	0	0	503.582	2.684	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2C(=O)[O-])Oc2ncc(Br)cc2C1=O	ZINC000061921547	562703182	/nfs/dbraw/zinc/70/31/82/562703182.db2.gz	NTJUTHLQVNPFFN-SIFCLUCFSA-N	0	0	506.397	2.894	3	0		KFAFRN
Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C	ZINC000061921558	562703195	/nfs/dbraw/zinc/70/31/95/562703195.db2.gz	HKCGJKVHIHYSCV-PRXAMGSTSA-N	0	0	510.389	2.833	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Cc2ccccc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000061921594	562703198	/nfs/dbraw/zinc/70/31/98/562703198.db2.gz	DVMHRKPPPCJFTK-XGHQBKJUSA-N	0	0	525.465	2.919	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000061921602	562703205	/nfs/dbraw/zinc/70/32/05/562703205.db2.gz	ACMQXXVHOPTYNJ-YRNRMSPPSA-N	0	0	511.438	2.990	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000061921604	562703216	/nfs/dbraw/zinc/70/32/16/562703216.db2.gz	ACMQXXVHOPTYNJ-GUXCAODWSA-N	0	0	511.438	2.990	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000061921607	562703218	/nfs/dbraw/zinc/70/32/18/562703218.db2.gz	DVMHRKPPPCJFTK-FIKGOQFSSA-N	0	0	525.465	2.919	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2C(=O)[O-])Oc2ncc(Br)cc2C1=O	ZINC000061921794	562703249	/nfs/dbraw/zinc/70/32/49/562703249.db2.gz	NTJUTHLQVNPFFN-AVYPCKFXSA-N	0	0	506.397	2.894	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc(C(=O)[O-])c2)Oc2ncc(Br)cc2C1=O	ZINC000061921799	562703242	/nfs/dbraw/zinc/70/32/42/562703242.db2.gz	MQKGARZOLRKDCM-SIFCLUCFSA-N	0	0	506.397	2.894	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)Oc2ncc(Br)cc2C1=O	ZINC000061921801	562703260	/nfs/dbraw/zinc/70/32/60/562703260.db2.gz	MPOJKWXJOFNKKI-BXTJHSDWSA-N	0	0	506.397	2.894	3	0		KFAFRN
CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCCN1CCCC1=O	ZINC000061921900	562703268	/nfs/dbraw/zinc/70/32/68/562703268.db2.gz	ZTNLFYOBHYTSRL-RUZDIDTESA-N	0	0	538.689	2.509	3	0		KFAFRN
CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCCN1CCCC1=O	ZINC000061921901	562703264	/nfs/dbraw/zinc/70/32/64/562703264.db2.gz	ZTNLFYOBHYTSRL-VWLOTQADSA-N	0	0	538.689	2.509	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccc3c(c2)OCO3)Oc2ncc(Br)cc2C1=O	ZINC000061922070	562703293	/nfs/dbraw/zinc/70/32/93/562703293.db2.gz	XBBQMEDXPLFFHS-CKNLXJGOSA-N	0	0	520.380	2.565	3	0		KFAFRN
Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	ZINC000061922215	562703296	/nfs/dbraw/zinc/70/32/96/562703296.db2.gz	HKCGJKVHIHYSCV-PEBVRCNWSA-N	0	0	510.389	2.833	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCC2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000061922837	562703408	/nfs/dbraw/zinc/70/34/08/562703408.db2.gz	SZIKTFJCEPOTBZ-SPYBWZPUSA-N	0	0	518.474	2.802	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCC2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000061922844	562703374	/nfs/dbraw/zinc/70/33/74/562703374.db2.gz	SZIKTFJCEPOTBZ-QMTMVMCOSA-N	0	0	518.474	2.802	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1	ZINC000061923268	562703451	/nfs/dbraw/zinc/70/34/51/562703451.db2.gz	VPBLIAWWZSZYAC-LJQANCHMSA-N	0	0	506.588	2.544	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1	ZINC000061923269	562703464	/nfs/dbraw/zinc/70/34/64/562703464.db2.gz	VPBLIAWWZSZYAC-IBGZPJMESA-N	0	0	506.588	2.544	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1	ZINC000061923727	562703495	/nfs/dbraw/zinc/70/34/95/562703495.db2.gz	ORSQUOKUQQSKAS-GOSISDBHSA-N	0	0	524.578	2.683	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1	ZINC000061923728	562703499	/nfs/dbraw/zinc/70/34/99/562703499.db2.gz	ORSQUOKUQQSKAS-SFHVURJKSA-N	0	0	524.578	2.683	3	0		KFAFRN
CCC/C=C/c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(CCOCOC)nn3)CCS2(=O)=O)cc1	ZINC000061923736	562703513	/nfs/dbraw/zinc/70/35/13/562703513.db2.gz	VRRWYDBMLCABBC-LAUDKDLHSA-N	0	0	533.695	2.911	3	0		KFAFRN
CCC/C=C/c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(CCOCOC)nn3)CCS2(=O)=O)cc1	ZINC000061923737	562703486	/nfs/dbraw/zinc/70/34/86/562703486.db2.gz	VRRWYDBMLCABBC-NJFIGMEYSA-N	0	0	533.695	2.911	3	0		KFAFRN
CCC/C=C/c1ccc(CN2[C@H](C)C(=O)N(Cc3cn(CCC4OCCCO4)nn3)CCS2(=O)=O)cc1	ZINC000061923750	562703518	/nfs/dbraw/zinc/70/35/18/562703518.db2.gz	SSZFYYKREHKRIH-GZNAHNRGSA-N	0	0	531.679	2.807	3	0		KFAFRN
CCC/C=C/c1ccc(CN2[C@@H](C)C(=O)N(Cc3cn(CCC4OCCCO4)nn3)CCS2(=O)=O)cc1	ZINC000061923751	562703519	/nfs/dbraw/zinc/70/35/19/562703519.db2.gz	SSZFYYKREHKRIH-XYASWCNUSA-N	0	0	531.679	2.807	3	0		KFAFRN
O=C(Cc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000061942962	562703774	/nfs/dbraw/zinc/70/37/74/562703774.db2.gz	YIIWVVNJEGIJGT-UHFFFAOYSA-N	0	0	518.614	2.927	3	0		KFAFRN
O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000061942964	562703767	/nfs/dbraw/zinc/70/37/67/562703767.db2.gz	KCZRVINBFPCFQY-UHFFFAOYSA-N	0	0	518.614	2.927	3	0		KFAFRN
O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000061942993	562703775	/nfs/dbraw/zinc/70/37/75/562703775.db2.gz	NXWBXTIMDGXRGI-HSZRJFAPSA-N	0	0	518.614	2.927	3	0		KFAFRN
O=C(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000061942996	562703781	/nfs/dbraw/zinc/70/37/81/562703781.db2.gz	NXWBXTIMDGXRGI-QHCPKHFHSA-N	0	0	518.614	2.927	3	0		KFAFRN
O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000061943004	562703763	/nfs/dbraw/zinc/70/37/63/562703763.db2.gz	IFVWJLQFXXIETI-HSZRJFAPSA-N	0	0	518.614	2.927	3	0		KFAFRN
O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000061943006	562703778	/nfs/dbraw/zinc/70/37/78/562703778.db2.gz	IFVWJLQFXXIETI-QHCPKHFHSA-N	0	0	518.614	2.927	3	0		KFAFRN
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCC(=O)c3ccccc3)N21	ZINC000061944599	562703815	/nfs/dbraw/zinc/70/38/15/562703815.db2.gz	LQHVMIODBGJSSH-PEFNMVFXSA-N	0	0	505.596	2.780	3	0		KFAFRN
COCCCNC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccc(OC)cc4c3CCN2C1=O	ZINC000061944920	562703829	/nfs/dbraw/zinc/70/38/29/562703829.db2.gz	SIUBVVTVNQQFOI-BWGXUDETSA-N	0	0	524.662	2.968	3	0		KFAFRN
COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccc(OC)cc4c3CCN2C1=O	ZINC000061944923	562703861	/nfs/dbraw/zinc/70/38/61/562703861.db2.gz	SIUBVVTVNQQFOI-CERFGUIQSA-N	0	0	524.662	2.968	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)OCc2cnnn2CCCC1=O	ZINC000061945440	562703845	/nfs/dbraw/zinc/70/38/45/562703845.db2.gz	IQZUEXURVFCKFC-LLGFUMIMSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O	ZINC000061945447	562703871	/nfs/dbraw/zinc/70/38/71/562703871.db2.gz	MHRPTBSVTMBPJG-LLGFUMIMSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)OCc2cn(nn2)CCCC1=O	ZINC000061945583	562703870	/nfs/dbraw/zinc/70/38/70/562703870.db2.gz	QOPMKJNNAFOQDN-XGHQBKJUSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)OCc2cn(nn2)CCCC1=O	ZINC000061945598	562703877	/nfs/dbraw/zinc/70/38/77/562703877.db2.gz	QOPMKJNNAFOQDN-LZJOCLMNSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O	ZINC000061945606	562703889	/nfs/dbraw/zinc/70/38/89/562703889.db2.gz	MHRPTBSVTMBPJG-WWMYMODYSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCc2cn(nn2)CCCC1=O	ZINC000061945612	562703878	/nfs/dbraw/zinc/70/38/78/562703878.db2.gz	DVUZCPZOEGBIKA-XGHQBKJUSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O	ZINC000061946233	562703928	/nfs/dbraw/zinc/70/39/28/562703928.db2.gz	MHRPTBSVTMBPJG-FVJLSDCUSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)OCc2cnnn2CCCC1=O	ZINC000061946260	562703952	/nfs/dbraw/zinc/70/39/52/562703952.db2.gz	MTUQQJRKJJVDPI-LLGFUMIMSA-N	0	0	526.560	2.985	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)OCc2cn(nn2)CCCC1=O	ZINC000061946357	562703990	/nfs/dbraw/zinc/70/39/90/562703990.db2.gz	DTQFALQSFDATTM-LZJOCLMNSA-N	0	0	526.560	2.985	3	0		KFAFRN
Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000061946377	562703974	/nfs/dbraw/zinc/70/39/74/562703974.db2.gz	HKCGJKVHIHYSCV-JKDFXYPNSA-N	0	0	510.389	2.833	3	0		KFAFRN
C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCOCC1	ZINC000061946988	562704028	/nfs/dbraw/zinc/70/40/28/562704028.db2.gz	IFBJRXXFHXUIPI-CTFOTTMXSA-N	0	0	504.587	2.562	3	0		KFAFRN
C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCOCC1	ZINC000061946989	562704004	/nfs/dbraw/zinc/70/40/04/562704004.db2.gz	IFBJRXXFHXUIPI-RENKFEOJSA-N	0	0	504.587	2.562	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(Cl)cc1	ZINC000061947088	562704037	/nfs/dbraw/zinc/70/40/37/562704037.db2.gz	VVTQPAAWALUGAO-SBZFUYPRSA-N	0	0	512.994	2.551	3	0		KFAFRN
CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(C)cc1	ZINC000061947102	562704058	/nfs/dbraw/zinc/70/40/58/562704058.db2.gz	FPVVTYIUVJIHHZ-JTNFPWQOSA-N	0	0	506.603	2.944	3	0		KFAFRN
CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000061947114	562704035	/nfs/dbraw/zinc/70/40/35/562704035.db2.gz	WZSMHWTZSARSTD-SBZFUYPRSA-N	0	0	512.994	2.899	3	0		KFAFRN
CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(Cl)cc1	ZINC000061947129	562704043	/nfs/dbraw/zinc/70/40/43/562704043.db2.gz	DDPBWIPHJNYYFP-SBZFUYPRSA-N	0	0	512.994	2.899	3	0		KFAFRN
COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000061947232	562704041	/nfs/dbraw/zinc/70/40/41/562704041.db2.gz	VWMHANAWXCCCHY-CPVANYHMSA-N	0	0	505.615	2.761	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)C3CC3)cc2C1=O	ZINC000061947357	562704054	/nfs/dbraw/zinc/70/40/54/562704054.db2.gz	WEYLHIKHEYPZBB-GCKMJXCFSA-N	0	0	521.661	2.637	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2c(NC(=O)C3CC3)cccc2C1=O	ZINC000061947692	562704118	/nfs/dbraw/zinc/70/41/18/562704118.db2.gz	SZINXIIPKDLEBK-FTRWYGJKSA-N	0	0	521.661	2.637	3	0		KFAFRN
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)CC1CC1)O2	ZINC000061947801	562704154	/nfs/dbraw/zinc/70/41/54/562704154.db2.gz	PZAVBCBWTOAEAX-OBWXTZQISA-N	0	0	534.679	2.583	3	0		KFAFRN
CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)O2	ZINC000061947831	562704148	/nfs/dbraw/zinc/70/41/48/562704148.db2.gz	MGWFGYXCOHJEBR-XLNZFTOWSA-N	0	0	532.663	2.757	3	0		KFAFRN
CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN([C@H](C)CO)C2=O	ZINC000061947839	562704158	/nfs/dbraw/zinc/70/41/58/562704158.db2.gz	XBJJZFKWEQTZLR-YCRNBWNJSA-N	0	0	532.663	2.757	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)C3CC3)cc2C1=O	ZINC000061947864	562704139	/nfs/dbraw/zinc/70/41/39/562704139.db2.gz	XVRCNMARMAMLAH-HOOSLVGPSA-N	0	0	515.632	2.576	3	0		KFAFRN
CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C	ZINC000061947871	562704159	/nfs/dbraw/zinc/70/41/59/562704159.db2.gz	TZVATHBZTZBTQC-KHCICDEESA-N	0	0	532.663	2.757	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)C4CC4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1	ZINC000061947905	562704168	/nfs/dbraw/zinc/70/41/68/562704168.db2.gz	NSDYLAAAQSLQKB-JXQFQVJHSA-N	0	0	529.659	2.884	3	0		KFAFRN
CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000061947920	562704132	/nfs/dbraw/zinc/70/41/32/562704132.db2.gz	TZVATHBZTZBTQC-XLNZFTOWSA-N	0	0	532.663	2.757	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)C3CC3)cccc2C1=O	ZINC000061947923	562704199	/nfs/dbraw/zinc/70/41/99/562704199.db2.gz	WMMDUDXVVHZSLR-BSRJHKFKSA-N	0	0	515.632	2.576	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NS(C)(=O)=O)cc2C1=O	ZINC000061948305	562704193	/nfs/dbraw/zinc/70/41/93/562704193.db2.gz	CADPGCJDOGZJII-WJONJSRFSA-N	0	0	522.599	2.581	3	0		KFAFRN
C[C@H]1COC(=O)[C@H](CC(=O)OC(C)(C)C)C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1	ZINC000061948323	562704212	/nfs/dbraw/zinc/70/42/12/562704212.db2.gz	LZZVCNLLDJWGIV-ULGWJKCGSA-N	0	0	516.635	2.760	3	0		KFAFRN
C[C@@H]1COC(=O)[C@H](CC(=O)OC(C)(C)C)C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1	ZINC000061948325	562704202	/nfs/dbraw/zinc/70/42/02/562704202.db2.gz	LZZVCNLLDJWGIV-NGUUQTOESA-N	0	0	516.635	2.760	3	0		KFAFRN
C[C@H]1COC(=O)[C@@H](CC(=O)OC(C)(C)C)C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1	ZINC000061948463	562704238	/nfs/dbraw/zinc/70/42/38/562704238.db2.gz	LZZVCNLLDJWGIV-YEOUPYJNSA-N	0	0	516.635	2.760	3	0		KFAFRN
C[C@@H]1COC(=O)[C@@H](CC(=O)OC(C)(C)C)C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1	ZINC000061948476	562704255	/nfs/dbraw/zinc/70/42/55/562704255.db2.gz	LZZVCNLLDJWGIV-QLRRZYOTSA-N	0	0	516.635	2.760	3	0		KFAFRN
C[C@@H]1COC(=O)[C@H](CC(=O)OC(C)(C)C)C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1	ZINC000061948479	562704240	/nfs/dbraw/zinc/70/42/40/562704240.db2.gz	LZZVCNLLDJWGIV-UOXIZKAOSA-N	0	0	516.635	2.760	3	0		KFAFRN
C[C@H]1COC(=O)[C@H](CC(=O)OC(C)(C)C)C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1	ZINC000061948490	562704236	/nfs/dbraw/zinc/70/42/36/562704236.db2.gz	LZZVCNLLDJWGIV-GXJMKMIWSA-N	0	0	516.635	2.760	3	0		KFAFRN
CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(Cl)c(Cl)c1	ZINC000061949095	562704272	/nfs/dbraw/zinc/70/42/72/562704272.db2.gz	XFDXBWQABOVMIB-XZWCOCNFSA-N	0	0	500.382	2.892	3	0		KFAFRN
CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)N2C(=O)c1ccc(Br)cc1	ZINC000061949140	562704259	/nfs/dbraw/zinc/70/42/59/562704259.db2.gz	RHRMOFHLININGP-XZWCOCNFSA-N	0	0	510.388	2.696	3	0		KFAFRN
CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Br)cc1	ZINC000061949170	562704267	/nfs/dbraw/zinc/70/42/67/562704267.db2.gz	VVLHUMTUFYOZBB-XZWCOCNFSA-N	0	0	510.388	2.696	3	0		KFAFRN
O=C(NCCCCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1)c1[nH]cnc1C(=O)Nc1ccccc1	ZINC000061949442	562704258	/nfs/dbraw/zinc/70/42/58/562704258.db2.gz	SCYJEQFHWODOEN-UHFFFAOYSA-N	0	0	514.546	2.577	3	0		KFAFRN
Cn1cnc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000061949654	562704326	/nfs/dbraw/zinc/70/43/26/562704326.db2.gz	NCSMJCSUDAMEEO-UHFFFAOYSA-N	0	0	534.658	2.679	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000064468907	562705839	/nfs/dbraw/zinc/70/58/39/562705839.db2.gz	YTYLOAPSJNGKNR-UTSVKBTJSA-N	0	0	519.642	2.804	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1	ZINC000064480329	562705862	/nfs/dbraw/zinc/70/58/62/562705862.db2.gz	LTNDJKCFEKNRFX-FFAHVWSXSA-N	0	0	589.714	2.933	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C1=O	ZINC000064497380	562705943	/nfs/dbraw/zinc/70/59/43/562705943.db2.gz	HMMMABCRUWFTQZ-DCLXLUIPSA-N	0	0	541.674	2.573	3	0		KFAFRN
CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCCOC)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C	ZINC000064502314	562706008	/nfs/dbraw/zinc/70/60/08/562706008.db2.gz	QOVRCADMJVGGNQ-MXSNXVCKSA-N	0	0	581.758	2.836	3	0		KFAFRN
O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)NCCO	ZINC000064658588	562709003	/nfs/dbraw/zinc/70/90/03/562709003.db2.gz	IQBXIWRNCFTMLL-SELVIKPESA-N	0	0	575.662	2.893	3	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(C[C@H](O)CO)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000064672583	562708995	/nfs/dbraw/zinc/70/89/95/562708995.db2.gz	WYMVMFLRLSYXAA-FWJHMHTJSA-N	0	0	589.664	2.783	3	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1	ZINC000064691724	562708987	/nfs/dbraw/zinc/70/89/87/562708987.db2.gz	FNGXNBMJCVXGLN-FIYUJZNDSA-N	0	0	533.600	2.888	3	0		KFAFRN
Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000064693601	562709043	/nfs/dbraw/zinc/70/90/43/562709043.db2.gz	OMHAOFHNWNAHIQ-YYULODDRSA-N	0	0	606.723	2.633	3	0		KFAFRN
COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2[C@@H](CC(=O)[C@H]2CC(=O)C(=O)N2CCCC2)CN1C(=O)c1ccccc1	ZINC000064712182	562709024	/nfs/dbraw/zinc/70/90/24/562709024.db2.gz	ADNFPHDFCQHUOV-XGQLODEDSA-N	0	0	534.584	2.839	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O	ZINC000066101349	562711340	/nfs/dbraw/zinc/71/13/40/562711340.db2.gz	UMUMDIXYWKRRCG-NJNPRVFISA-N	0	0	558.682	2.936	3	0		KFAFRN
CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	ZINC000066112609	562712064	/nfs/dbraw/zinc/71/20/64/562712064.db2.gz	JVZSPYXFUIUMDU-UXGLMHHASA-N	0	0	597.612	2.691	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O	ZINC000066113936	562712268	/nfs/dbraw/zinc/71/22/68/562712268.db2.gz	SINRCUUNNJXTTC-OUDXUNEISA-N	0	0	552.653	2.875	3	0		KFAFRN
Cc1cccc(NC(=O)c2nc[nH]c2C(=O)NCCCNC(=O)c2[nH]cnc2C(=O)Nc2cccc(C)c2)c1	ZINC000066113939	562712276	/nfs/dbraw/zinc/71/22/76/562712276.db2.gz	XHJHTQOACVDMEZ-UHFFFAOYSA-N	0	0	528.573	2.804	3	0		KFAFRN
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31C	ZINC000066124339	562712682	/nfs/dbraw/zinc/71/26/82/562712682.db2.gz	KIWMRFMNEONECX-GYJXTAAQSA-N	0	0	604.704	2.995	3	0		KFAFRN
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31C	ZINC000066124341	562712679	/nfs/dbraw/zinc/71/26/79/562712679.db2.gz	KIWMRFMNEONECX-BIYCLXHCSA-N	0	0	604.704	2.995	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)C3CC3)cc2C1=O	ZINC000066124383	562712718	/nfs/dbraw/zinc/71/27/18/562712718.db2.gz	AVAQDGZIUQEYTO-OBWXTZQISA-N	0	0	533.622	2.715	3	0		KFAFRN
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C(=O)OC)cc3)N21	ZINC000066124570	562712741	/nfs/dbraw/zinc/71/27/41/562712741.db2.gz	XVCZUDLXMURMSY-BUUPBASBSA-N	0	0	535.622	2.883	3	0		KFAFRN
COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NC(=O)CCN4CCOCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000066128924	562712784	/nfs/dbraw/zinc/71/27/84/562712784.db2.gz	GZTCRZUPEZJWSX-RZIGYZOXSA-N	0	0	597.713	2.740	3	0		KFAFRN
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccco2)C[C@H](C(=O)N2CCOCC2)[C@@]31C	ZINC000066129179	562712936	/nfs/dbraw/zinc/71/29/36/562712936.db2.gz	VBBQVCMEBWKTAQ-AFPDSDBBSA-N	0	0	534.613	2.571	3	0		KFAFRN
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccco2)C[C@H](C(=O)N2CCOCC2)[C@@]31C	ZINC000066129181	562712937	/nfs/dbraw/zinc/71/29/37/562712937.db2.gz	VBBQVCMEBWKTAQ-HUCYYKTBSA-N	0	0	534.613	2.571	3	0		KFAFRN
CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000066129219	562712902	/nfs/dbraw/zinc/71/29/02/562712902.db2.gz	DYOOUFOZNKKXIG-CDLOMYRSSA-N	0	0	555.697	2.700	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N2CCC[C@@H]2COC1=O	ZINC000066129268	562712886	/nfs/dbraw/zinc/71/28/86/562712886.db2.gz	CAJXQRBOEHFXOS-QSTRQIPTSA-N	0	0	542.673	2.945	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O	ZINC000066129369	562712934	/nfs/dbraw/zinc/71/29/34/562712934.db2.gz	CAJXQRBOEHFXOS-LJHXGPFCSA-N	0	0	542.673	2.945	3	0		KFAFRN
CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2	ZINC000066129576	562712993	/nfs/dbraw/zinc/71/29/93/562712993.db2.gz	HQLUJGZXNGRCJC-NXMSCROESA-N	0	0	550.653	2.896	3	0		KFAFRN
COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)c2ccc(C)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000066129679	562713015	/nfs/dbraw/zinc/71/30/15/562713015.db2.gz	OGRFAJDYZRFDML-ZQPSKXNCSA-N	0	0	539.632	2.995	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)C4CC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000066129704	562713002	/nfs/dbraw/zinc/71/30/02/562713002.db2.gz	KWNGNKJPUWPYJX-YYULODDRSA-N	0	0	545.658	2.585	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O	ZINC000066136367	562713100	/nfs/dbraw/zinc/71/31/00/562713100.db2.gz	CAJXQRBOEHFXOS-SBXIVPICSA-N	0	0	542.673	2.945	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N2CCC[C@@H]2COC1=O	ZINC000066136376	562713091	/nfs/dbraw/zinc/71/30/91/562713091.db2.gz	CAJXQRBOEHFXOS-PHGRHIOXSA-N	0	0	542.673	2.945	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N2CCC[C@@H]2COC1=O	ZINC000066136377	562713068	/nfs/dbraw/zinc/71/30/68/562713068.db2.gz	CAJXQRBOEHFXOS-XBOSVMHNSA-N	0	0	542.673	2.945	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2C1=O	ZINC000066136476	562713159	/nfs/dbraw/zinc/71/31/59/562713159.db2.gz	OIUJMOWVUMHDSM-DCLXLUIPSA-N	0	0	547.722	2.953	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(OC)cc1	ZINC000066138693	562713352	/nfs/dbraw/zinc/71/33/52/562713352.db2.gz	BBTSKOIEKDPJJK-FFAHVWSXSA-N	0	0	605.713	2.634	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)COc1ccccc1	ZINC000066138905	562713366	/nfs/dbraw/zinc/71/33/66/562713366.db2.gz	CQAQFUQTBAXRCU-ZQZBKPNISA-N	0	0	569.658	2.842	3	0		KFAFRN
CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@H](C(=O)N3CCOCC3)[C@@]12C	ZINC000066139007	562713386	/nfs/dbraw/zinc/71/33/86/562713386.db2.gz	FHUPJCOQVYWZRG-XWBPTTGPSA-N	0	0	579.742	2.588	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccccc4)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000066139486	562713482	/nfs/dbraw/zinc/71/34/82/562713482.db2.gz	OUZPUKULBVTKKY-DKGMKSHISA-N	0	0	631.773	2.966	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O	ZINC000066139807	562713534	/nfs/dbraw/zinc/71/35/34/562713534.db2.gz	ALNQJNFHRJKRLN-YGKZAACZSA-N	0	0	604.590	2.715	3	0		KFAFRN
Cc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1	ZINC000066148550	562713632	/nfs/dbraw/zinc/71/36/32/562713632.db2.gz	URKRDHSWJLVIPT-AOUJKTHWSA-N	0	0	569.684	2.522	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O	ZINC000066148596	562713615	/nfs/dbraw/zinc/71/36/15/562713615.db2.gz	NBWGOUGTHFGVFJ-UMTXDNHDSA-N	0	0	567.687	2.731	3	0		KFAFRN
CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C)C(C)C	ZINC000066148735	562713697	/nfs/dbraw/zinc/71/36/97/562713697.db2.gz	BXZZDTSHPVJKSG-HBHMWIPXSA-N	0	0	650.865	2.909	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O	ZINC000066148982	562713773	/nfs/dbraw/zinc/71/37/73/562713773.db2.gz	HYBYHXNSQAJOIM-GBSCMWRYSA-N	0	0	541.645	2.551	3	0		KFAFRN
COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)C2CCCCC2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000066156715	562713797	/nfs/dbraw/zinc/71/37/97/562713797.db2.gz	ALIWFUZAUBFLRJ-FVCFNFBRSA-N	0	0	531.653	2.953	3	0		KFAFRN
CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O	ZINC000066157059	562713891	/nfs/dbraw/zinc/71/38/91/562713891.db2.gz	YHAGKJIQSXBQKF-YZZKKUAISA-N	0	0	550.653	2.896	3	0		KFAFRN
CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000066157154	562713911	/nfs/dbraw/zinc/71/39/11/562713911.db2.gz	RIXQMHOCPDHSJF-UXGLMHHASA-N	0	0	581.613	2.811	3	0		KFAFRN
COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000066157156	562713895	/nfs/dbraw/zinc/71/38/95/562713895.db2.gz	YDCADNQPSILRFB-KUYWTNKVSA-N	0	0	575.687	2.543	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O	ZINC000066157250	562713904	/nfs/dbraw/zinc/71/39/04/562713904.db2.gz	CAJXQRBOEHFXOS-ZKGZYMMISA-N	0	0	542.673	2.945	3	0		KFAFRN
COC(=O)[C@]1(C)N[C@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000066157462	562713945	/nfs/dbraw/zinc/71/39/45/562713945.db2.gz	NTCIUCGEXRYLMH-YYZJCXNBSA-N	0	0	561.660	2.679	3	0		KFAFRN
Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000066166031	562714029	/nfs/dbraw/zinc/71/40/29/562714029.db2.gz	HIURQNCYOGIUNQ-RJYGXOMWSA-N	0	0	624.713	2.772	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000066166049	562714047	/nfs/dbraw/zinc/71/40/47/562714047.db2.gz	RLKJRFCQUOEIHY-KUYWTNKVSA-N	0	0	575.687	2.722	3	0		KFAFRN
CCN1C(=O)[C@H]2[C@H]3CN=C(SCc4ccc(C(=O)OC)cc4)N3[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O	ZINC000066166851	562714176	/nfs/dbraw/zinc/71/41/76/562714176.db2.gz	OFAZZQRWFDXXAV-BUUPBASBSA-N	0	0	535.622	2.536	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3cnccn3)cccc2C1=O	ZINC000066166974	562714187	/nfs/dbraw/zinc/71/41/87/562714187.db2.gz	JSEABWYPQJVJAK-DPOKWSEZSA-N	0	0	576.610	2.842	3	0		KFAFRN
Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCNC(=O)c2[nH]cnc2C(=O)Nc2ccc(C)cc2)cc1	ZINC000066167141	562714233	/nfs/dbraw/zinc/71/42/33/562714233.db2.gz	KVMMFHRVFQXEOG-UHFFFAOYSA-N	0	0	528.573	2.804	3	0		KFAFRN
C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCN1CCOCC1)C[C@@H]2C(=O)N1CCCCC1	ZINC000066167204	562714288	/nfs/dbraw/zinc/71/42/88/562714288.db2.gz	QDTKDHHJICQYOJ-VNOSDSGASA-N	0	0	570.134	2.908	3	0		KFAFRN
CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2	ZINC000066167216	562714284	/nfs/dbraw/zinc/71/42/84/562714284.db2.gz	HQLUJGZXNGRCJC-HOOSLVGPSA-N	0	0	550.653	2.896	3	0		KFAFRN
CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCc3ccco3)C[C@H](C(=O)N3CCOCC3)[C@@]12C	ZINC000066167251	562714330	/nfs/dbraw/zinc/71/43/30/562714330.db2.gz	TYBMDQDUNMNXAN-IFUAKQGFSA-N	0	0	603.720	2.583	3	0		KFAFRN
COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)O3)cc1	ZINC000066167295	562714365	/nfs/dbraw/zinc/71/43/65/562714365.db2.gz	KQAQDPICBDVGTF-HHJKRLRDSA-N	0	0	600.698	2.614	3	0		KFAFRN
O=C1c2ccccc2C(=O)N1CCCc1cn(C[C@H]2CC[C@H](Cn3cc(CCCN4C(=O)c5ccccc5C4=O)nn3)O2)nn1	ZINC000066167344	562714354	/nfs/dbraw/zinc/71/43/54/562714354.db2.gz	NVCLTGQOLROGQV-DNQXCXABSA-N	0	0	608.659	2.575	3	0		KFAFRN
CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1	ZINC000072102113	562720309	/nfs/dbraw/zinc/72/03/09/562720309.db2.gz	CYYCSMZEFQWYSP-HHHXNRCGSA-N	0	0	568.700	2.692	3	0		KFAFRN
CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1	ZINC000072102114	562720316	/nfs/dbraw/zinc/72/03/16/562720316.db2.gz	CYYCSMZEFQWYSP-MHZLTWQESA-N	0	0	568.700	2.692	3	0		KFAFRN
CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1	ZINC000072102311	562720287	/nfs/dbraw/zinc/72/02/87/562720287.db2.gz	JSZFOVGXBISYOA-RUZDIDTESA-N	0	0	586.690	2.831	3	0		KFAFRN
CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1	ZINC000072102312	562720302	/nfs/dbraw/zinc/72/03/02/562720302.db2.gz	JSZFOVGXBISYOA-VWLOTQADSA-N	0	0	586.690	2.831	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O	ZINC000072103970	562720390	/nfs/dbraw/zinc/72/03/90/562720390.db2.gz	NBWGOUGTHFGVFJ-OREGWCPLSA-N	0	0	567.687	2.731	3	0		KFAFRN
CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1	ZINC000072104345	562720476	/nfs/dbraw/zinc/72/04/76/562720476.db2.gz	JFTSKSNZLKJEIM-HHHXNRCGSA-N	0	0	586.690	2.831	3	0		KFAFRN
CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1	ZINC000072104346	562720469	/nfs/dbraw/zinc/72/04/69/562720469.db2.gz	JFTSKSNZLKJEIM-MHZLTWQESA-N	0	0	586.690	2.831	3	0		KFAFRN
CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000072104555	562720493	/nfs/dbraw/zinc/72/04/93/562720493.db2.gz	YTKBMKJCCBTXRZ-RVPQTZJASA-N	0	0	643.789	2.677	3	0		KFAFRN
CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000072104556	562720497	/nfs/dbraw/zinc/72/04/97/562720497.db2.gz	YTKBMKJCCBTXRZ-WHMROJOYSA-N	0	0	643.789	2.677	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1OC	ZINC000072104744	562720598	/nfs/dbraw/zinc/72/05/98/562720598.db2.gz	FYDFLDLZMRUJPX-GDLZYMKVSA-N	0	0	613.737	2.924	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1OC	ZINC000072104745	562720618	/nfs/dbraw/zinc/72/06/18/562720618.db2.gz	FYDFLDLZMRUJPX-LJAQVGFWSA-N	0	0	613.737	2.924	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)NC(C)C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000072120138	562723954	/nfs/dbraw/zinc/72/39/54/562723954.db2.gz	JGIBJYQNCNXNQF-OSWQYVSFSA-N	0	0	562.689	2.766	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O	ZINC000072120582	562724091	/nfs/dbraw/zinc/72/40/91/562724091.db2.gz	KJJNMJMAFXJPNK-XLNZFTOWSA-N	0	0	570.672	2.605	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1	ZINC000072120603	562724108	/nfs/dbraw/zinc/72/41/08/562724108.db2.gz	GGFLEDCKZBXNQN-LJQANCHMSA-N	0	0	560.076	2.924	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1	ZINC000072120604	562724101	/nfs/dbraw/zinc/72/41/01/562724101.db2.gz	GGFLEDCKZBXNQN-IBGZPJMESA-N	0	0	560.076	2.924	3	0		KFAFRN
CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O	ZINC000072120625	562724095	/nfs/dbraw/zinc/72/40/95/562724095.db2.gz	YHAGKJIQSXBQKF-IXFSTUDKSA-N	0	0	550.653	2.896	3	0		KFAFRN
O=C(C[C@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)NCCO	ZINC000072121291	562724182	/nfs/dbraw/zinc/72/41/82/562724182.db2.gz	IQBXIWRNCFTMLL-NZRHJASSSA-N	0	0	575.662	2.893	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)C4CC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000072121433	562724253	/nfs/dbraw/zinc/72/42/53/562724253.db2.gz	RXVNNSKMDONKBE-HOOSLVGPSA-N	0	0	545.658	2.585	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000072122002	562724326	/nfs/dbraw/zinc/72/43/26/562724326.db2.gz	YEICQUMNJMDEOD-OUDXUNEISA-N	0	0	582.679	2.883	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(F)cc1	ZINC000072122020	562724337	/nfs/dbraw/zinc/72/43/37/562724337.db2.gz	DWMAYRGFXLQEGD-KUYWTNKVSA-N	0	0	593.677	2.764	3	0		KFAFRN
C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCOCC1	ZINC000072122060	562724374	/nfs/dbraw/zinc/72/43/74/562724374.db2.gz	RGHKYBDKRODRND-CERFGUIQSA-N	0	0	567.090	2.709	3	0		KFAFRN
CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1	ZINC000072122976	562724665	/nfs/dbraw/zinc/72/46/65/562724665.db2.gz	BKRFDDOJQUWYDM-HHHXNRCGSA-N	0	0	553.685	2.907	3	0		KFAFRN
CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1	ZINC000072122977	562724671	/nfs/dbraw/zinc/72/46/71/562724671.db2.gz	BKRFDDOJQUWYDM-MHZLTWQESA-N	0	0	553.685	2.907	3	0		KFAFRN
CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCCNC(=O)c2[nH]cnc2C(=O)Nc2ccc(C(=O)OCC)cc2)cc1	ZINC000072123674	562724843	/nfs/dbraw/zinc/72/48/43/562724843.db2.gz	PKUCAMOFKFWSIG-UHFFFAOYSA-N	0	0	658.672	2.931	3	0		KFAFRN
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2c(C)noc2C)O3)cc1	ZINC000072123755	562724974	/nfs/dbraw/zinc/72/49/74/562724974.db2.gz	GZSABBFULOZDPH-CUAXAMRHSA-N	0	0	636.749	2.642	3	0		KFAFRN
CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCN1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000072127657	562725769	/nfs/dbraw/zinc/72/57/69/562725769.db2.gz	SYIORIIQUUOFFN-BOCHCHAHSA-N	0	0	684.838	2.973	3	0		KFAFRN
CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000072127724	562725859	/nfs/dbraw/zinc/72/58/59/562725859.db2.gz	MEPJIJBKYLXTAK-WKHFYTRQSA-N	0	0	702.853	2.935	3	0		KFAFRN
CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000072134077	562727161	/nfs/dbraw/zinc/72/71/61/562727161.db2.gz	HBVWWEKVCFETGQ-HOOSLVGPSA-N	0	0	550.653	2.896	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000072134878	562727387	/nfs/dbraw/zinc/72/73/87/562727387.db2.gz	HIPOFMXLOVDGIW-FTRWYGJKSA-N	0	0	547.493	2.538	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)NC(C)C)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000072135063	562727469	/nfs/dbraw/zinc/72/74/69/562727469.db2.gz	GGWAZUBPGIHOMD-XLNZFTOWSA-N	0	0	562.689	2.766	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000072135125	562727520	/nfs/dbraw/zinc/72/75/20/562727520.db2.gz	ZFSVTLZMVLAXCM-MRUHUIDDSA-N	0	0	577.519	2.547	3	0		KFAFRN
O=C(C[C@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)NCCO	ZINC000072135783	562727547	/nfs/dbraw/zinc/72/75/47/562727547.db2.gz	IQBXIWRNCFTMLL-QKAIFKGPSA-N	0	0	575.662	2.893	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(F)nc4)cc3)[C@H](CC(C)C)C2=O)nn1	ZINC000072135839	562727627	/nfs/dbraw/zinc/72/76/27/562727627.db2.gz	UMIDGXQDLIOCQQ-RUZDIDTESA-N	0	0	574.679	2.689	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(F)nc4)cc3)[C@@H](CC(C)C)C2=O)nn1	ZINC000072135840	562727621	/nfs/dbraw/zinc/72/76/21/562727621.db2.gz	UMIDGXQDLIOCQQ-VWLOTQADSA-N	0	0	574.679	2.689	3	0		KFAFRN
COc1cccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC	ZINC000072135930	562727641	/nfs/dbraw/zinc/72/76/41/562727641.db2.gz	APGDNZOLQBNHJT-MHZLTWQESA-N	0	0	583.649	2.969	3	0		KFAFRN
COc1cccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC	ZINC000072135931	562727634	/nfs/dbraw/zinc/72/76/34/562727634.db2.gz	APGDNZOLQBNHJT-HHHXNRCGSA-N	0	0	583.649	2.969	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O	ZINC000072136121	562727770	/nfs/dbraw/zinc/72/77/70/562727770.db2.gz	CAJXQRBOEHFXOS-XQAJROCTSA-N	0	0	542.673	2.945	3	0		KFAFRN
O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc1)CC2	ZINC000072136170	562727766	/nfs/dbraw/zinc/72/77/66/562727766.db2.gz	DTGVKANTKPYGQP-SANMLTNESA-N	0	0	523.597	2.951	3	0		KFAFRN
O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc1)CC2	ZINC000072136171	562727763	/nfs/dbraw/zinc/72/77/63/562727763.db2.gz	DTGVKANTKPYGQP-AREMUKBSSA-N	0	0	523.597	2.951	3	0		KFAFRN
Cc1cccc(CN2CCN([C@@H]3CN(Cc4cn(Cc5ccccc5C(F)(F)F)nn4)S(=O)(=O)C3)CC2)c1	ZINC000072136181	562727799	/nfs/dbraw/zinc/72/77/99/562727799.db2.gz	FRIZRJQANRWAET-XMMPIXPASA-N	0	0	548.635	2.985	3	0		KFAFRN
Cc1cccc(CN2CCN([C@H]3CN(Cc4cn(Cc5ccccc5C(F)(F)F)nn4)S(=O)(=O)C3)CC2)c1	ZINC000072136182	562727805	/nfs/dbraw/zinc/72/78/05/562727805.db2.gz	FRIZRJQANRWAET-DEOSSOPVSA-N	0	0	548.635	2.985	3	0		KFAFRN
Cc1ccc(-c2ccc(CN3[C@H](C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000072136198	562727804	/nfs/dbraw/zinc/72/78/04/562727804.db2.gz	FGRNMROIGRCZLN-JOCHJYFZSA-N	0	0	553.685	2.969	3	0		KFAFRN
Cc1ccc(-c2ccc(CN3[C@@H](C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000072136199	562727792	/nfs/dbraw/zinc/72/77/92/562727792.db2.gz	FGRNMROIGRCZLN-QFIPXVFZSA-N	0	0	553.685	2.969	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(F)cc4)cc3)[C@H](C(C)C)C2=O)nn1	ZINC000072136272	562727881	/nfs/dbraw/zinc/72/78/81/562727881.db2.gz	VRFIPLXDOMMVOQ-AREMUKBSSA-N	0	0	559.664	2.904	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(F)cc4)cc3)[C@@H](C(C)C)C2=O)nn1	ZINC000072136273	562727858	/nfs/dbraw/zinc/72/78/58/562727858.db2.gz	VRFIPLXDOMMVOQ-SANMLTNESA-N	0	0	559.664	2.904	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O	ZINC000072136330	562727856	/nfs/dbraw/zinc/72/78/56/562727856.db2.gz	XNNXHCNYHXAVJF-IZVMNLJQSA-N	0	0	585.677	2.871	3	0		KFAFRN
CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1	ZINC000072136569	562728040	/nfs/dbraw/zinc/72/80/40/562728040.db2.gz	JRDSPJVCEAJVGJ-AREMUKBSSA-N	0	0	568.700	2.692	3	0		KFAFRN
CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1	ZINC000072136570	562728072	/nfs/dbraw/zinc/72/80/72/562728072.db2.gz	JRDSPJVCEAJVGJ-SANMLTNESA-N	0	0	568.700	2.692	3	0		KFAFRN
CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(F)cc1	ZINC000072136658	562728107	/nfs/dbraw/zinc/72/81/07/562728107.db2.gz	GBFHAKGZJBOCDT-HSZRJFAPSA-N	0	0	516.658	2.932	3	0		KFAFRN
CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(F)cc1	ZINC000072136659	562728105	/nfs/dbraw/zinc/72/81/05/562728105.db2.gz	GBFHAKGZJBOCDT-QHCPKHFHSA-N	0	0	516.658	2.932	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cn1	ZINC000072136710	562728081	/nfs/dbraw/zinc/72/80/81/562728081.db2.gz	MSYUTVDMAXNZNU-MUUNZHRXSA-N	0	0	598.726	2.701	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cn1	ZINC000072136711	562728114	/nfs/dbraw/zinc/72/81/14/562728114.db2.gz	MSYUTVDMAXNZNU-NDEPHWFRSA-N	0	0	598.726	2.701	3	0		KFAFRN
CSCC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000072136814	562728145	/nfs/dbraw/zinc/72/81/45/562728145.db2.gz	DOWORGBUOIYFIK-NRFANRHFSA-N	0	0	521.647	2.656	3	0		KFAFRN
CSCC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000072136815	562728142	/nfs/dbraw/zinc/72/81/42/562728142.db2.gz	DOWORGBUOIYFIK-OAQYLSRUSA-N	0	0	521.647	2.656	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000072136862	562728173	/nfs/dbraw/zinc/72/81/73/562728173.db2.gz	IYBZJCLIBBLKAV-SBZFUYPRSA-N	0	0	546.546	2.917	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N2CCC[C@@H]2COC1=O	ZINC000072137495	562728284	/nfs/dbraw/zinc/72/82/84/562728284.db2.gz	CAJXQRBOEHFXOS-FJTSKRTDSA-N	0	0	542.673	2.945	3	0		KFAFRN
COc1ccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1	ZINC000072137510	562728268	/nfs/dbraw/zinc/72/82/68/562728268.db2.gz	FYTJZJYWLSJQSR-MHZLTWQESA-N	0	0	553.623	2.960	3	0		KFAFRN
COc1ccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1	ZINC000072137511	562728270	/nfs/dbraw/zinc/72/82/70/562728270.db2.gz	FYTJZJYWLSJQSR-HHHXNRCGSA-N	0	0	553.623	2.960	3	0		KFAFRN
COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)c2ccc(F)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000072137516	562728295	/nfs/dbraw/zinc/72/82/95/562728295.db2.gz	UVXHKLGJQPHLRM-FVCFNFBRSA-N	0	0	543.595	2.825	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000072137533	562728305	/nfs/dbraw/zinc/72/83/05/562728305.db2.gz	NNNNXWZQKSCYBX-ASHZAFPQSA-N	0	0	582.679	2.883	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O	ZINC000072137747	562728399	/nfs/dbraw/zinc/72/83/99/562728399.db2.gz	LXJZSYGAJCUBQM-WZOHSFFVSA-N	0	0	552.653	2.875	3	0		KFAFRN
CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(F)cc1	ZINC000072137758	562728409	/nfs/dbraw/zinc/72/84/09/562728409.db2.gz	XETBQHGXEFFZNR-FJRSXGRASA-N	0	0	511.553	2.905	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000072137775	562728397	/nfs/dbraw/zinc/72/83/97/562728397.db2.gz	ZFSVTLZMVLAXCM-WHSLLNHNSA-N	0	0	577.519	2.547	3	0		KFAFRN
COc1cc(CN2C[C@H](n3cnc4c3ncnc4N3CCN(c4ccccc4)CC3)O[C@H](CO)C2)cc(OC)c1OC	ZINC000072137887	562728514	/nfs/dbraw/zinc/72/85/14/562728514.db2.gz	QLJWFZPRLFAKLT-JYFHCDHNSA-N	0	0	575.670	2.571	3	0		KFAFRN
COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)S(=O)(=O)c2cn(C)cn2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1	ZINC000072137894	562728503	/nfs/dbraw/zinc/72/85/03/562728503.db2.gz	ZNGHJPLNGRWNPP-XLNZFTOWSA-N	0	0	600.698	2.614	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@H](C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000072137954	562728525	/nfs/dbraw/zinc/72/85/25/562728525.db2.gz	GLOBFDMJNKFJLW-OAQYLSRUSA-N	0	0	569.684	2.670	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@@H](C)C(=O)N(Cc4cn(CCC5OCCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000072137955	562728520	/nfs/dbraw/zinc/72/85/20/562728520.db2.gz	GLOBFDMJNKFJLW-NRFANRHFSA-N	0	0	569.684	2.670	3	0		KFAFRN
CN1C(=O)[C@H]2[C@@H](/C=C/c3ccccc3)N3C(=O)CN(Cc4ccccn4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C1=O	ZINC000072137964	562728526	/nfs/dbraw/zinc/72/85/26/562728526.db2.gz	STVWTODXPCJAHC-QLSQHIASSA-N	0	0	520.589	2.561	3	0		KFAFRN
O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)NCCO	ZINC000072138153	562728670	/nfs/dbraw/zinc/72/86/70/562728670.db2.gz	IQBXIWRNCFTMLL-HAENGRJXSA-N	0	0	575.662	2.893	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4cccc(CO)c4)cc3)[C@H](CC(C)C)C2=O)nn1	ZINC000072138279	562728752	/nfs/dbraw/zinc/72/87/52/562728752.db2.gz	SSXAJKZEFLPGCV-MUUNZHRXSA-N	0	0	585.727	2.647	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4cccc(CO)c4)cc3)[C@@H](CC(C)C)C2=O)nn1	ZINC000072138280	562728717	/nfs/dbraw/zinc/72/87/17/562728717.db2.gz	SSXAJKZEFLPGCV-NDEPHWFRSA-N	0	0	585.727	2.647	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1	ZINC000072138284	562728721	/nfs/dbraw/zinc/72/87/21/562728721.db2.gz	IRJVBSDFZRXSJL-HXUWFJFHSA-N	0	0	535.626	2.641	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1	ZINC000072138285	562728719	/nfs/dbraw/zinc/72/87/19/562728719.db2.gz	IRJVBSDFZRXSJL-FQEVSTJZSA-N	0	0	535.626	2.641	3	0		KFAFRN
CC[C@@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(-c2cn([C@@H](C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)nn1	ZINC000072138604	562728839	/nfs/dbraw/zinc/72/88/39/562728839.db2.gz	MRXOCMXEMDJUGT-SLSDLSHTSA-N	0	0	658.805	2.843	3	0		KFAFRN
CC[C@@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(-c2cn([C@@H](C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)nn1	ZINC000072138605	562728864	/nfs/dbraw/zinc/72/88/64/562728864.db2.gz	MRXOCMXEMDJUGT-OTNCWRBYSA-N	0	0	658.805	2.843	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4cccc(N(C)C)c4)cc3)[C@H](C(C)C)C2=O)nn1	ZINC000072139424	562728943	/nfs/dbraw/zinc/72/89/43/562728943.db2.gz	ZMRZALMJNMZYRT-MUUNZHRXSA-N	0	0	584.743	2.830	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4cccc(N(C)C)c4)cc3)[C@@H](C(C)C)C2=O)nn1	ZINC000072139425	562728942	/nfs/dbraw/zinc/72/89/42/562728942.db2.gz	ZMRZALMJNMZYRT-NDEPHWFRSA-N	0	0	584.743	2.830	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O	ZINC000072139456	562728941	/nfs/dbraw/zinc/72/89/41/562728941.db2.gz	JVJRBLIGQMWEEW-YZZKKUAISA-N	0	0	558.682	2.936	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000072139719	562729018	/nfs/dbraw/zinc/72/90/18/562729018.db2.gz	MKFDRGBJPDLEFY-CBGDNZLLSA-N	0	0	561.520	2.847	3	0		KFAFRN
CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000072139819	562729063	/nfs/dbraw/zinc/72/90/63/562729063.db2.gz	WHLHNSUGTSKAQS-OTGNDCNZSA-N	0	0	712.896	2.689	3	0		KFAFRN
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCN2CCOCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C	ZINC000072139853	562729092	/nfs/dbraw/zinc/72/90/92/562729092.db2.gz	UQMQMRQBFPZTGV-DUSFWOOLSA-N	0	0	581.758	2.896	3	0		KFAFRN
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCN2CCOCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C	ZINC000072139854	562729087	/nfs/dbraw/zinc/72/90/87/562729087.db2.gz	UQMQMRQBFPZTGV-QKVJJFNUSA-N	0	0	581.758	2.896	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(OC)cc4)cc3)[C@H](C(C)C)C2=O)nn1	ZINC000072139860	562729101	/nfs/dbraw/zinc/72/91/01/562729101.db2.gz	NMNUIXYTIAOVMC-HHHXNRCGSA-N	0	0	571.700	2.773	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(OC)cc4)cc3)[C@@H](C(C)C)C2=O)nn1	ZINC000072139861	562729066	/nfs/dbraw/zinc/72/90/66/562729066.db2.gz	NMNUIXYTIAOVMC-MHZLTWQESA-N	0	0	571.700	2.773	3	0		KFAFRN
COc1ccccc1S(=O)(=O)N(C)C[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	ZINC000072139871	562729068	/nfs/dbraw/zinc/72/90/68/562729068.db2.gz	ZNUDODZEVYBNEW-GQIGUUNPSA-N	0	0	577.519	2.547	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccc(F)c2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000072139908	562729083	/nfs/dbraw/zinc/72/90/83/562729083.db2.gz	LOCSQSCHONDDFY-MDOVXXIYSA-N	0	0	565.483	2.678	3	0		KFAFRN
CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCN1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000072139962	562729116	/nfs/dbraw/zinc/72/91/16/562729116.db2.gz	FZRLQWLDUQAPTL-JOMWIRRTSA-N	0	0	679.218	2.864	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1	ZINC000072140766	562729179	/nfs/dbraw/zinc/72/91/79/562729179.db2.gz	GPOQMVKAFRJHFT-OAQYLSRUSA-N	0	0	539.658	2.661	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1	ZINC000072140767	562729167	/nfs/dbraw/zinc/72/91/67/562729167.db2.gz	GPOQMVKAFRJHFT-NRFANRHFSA-N	0	0	539.658	2.661	3	0		KFAFRN
COc1cccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)c1OC	ZINC000072140885	562729227	/nfs/dbraw/zinc/72/92/27/562729227.db2.gz	LQVZSGIUKVPLEF-MUUNZHRXSA-N	0	0	613.737	2.924	3	0		KFAFRN
COc1cccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)c1OC	ZINC000072140886	562729207	/nfs/dbraw/zinc/72/92/07/562729207.db2.gz	LQVZSGIUKVPLEF-NDEPHWFRSA-N	0	0	613.737	2.924	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)cc4)cc3)[C@H](C)C2=O)nn1	ZINC000072140890	562729190	/nfs/dbraw/zinc/72/91/90/562729190.db2.gz	AHGNPSIROFBFPF-LJQANCHMSA-N	0	0	548.065	2.782	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](C)C2=O)nn1	ZINC000072140891	562729189	/nfs/dbraw/zinc/72/91/89/562729189.db2.gz	AHGNPSIROFBFPF-IBGZPJMESA-N	0	0	548.065	2.782	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(O)C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4C[C@]3(OC(=O)NC3CCCC3)C2)cc1	ZINC000072140896	562729214	/nfs/dbraw/zinc/72/92/14/562729214.db2.gz	PQKLYVRHSAKFNX-OTEJSBPHSA-N	0	0	567.664	2.738	3	0		KFAFRN
CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000072141226	562729333	/nfs/dbraw/zinc/72/93/33/562729333.db2.gz	KZVYLDXQNAWYJY-DNBAOMTPSA-N	0	0	633.746	2.923	3	0		KFAFRN
CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000072141227	562729327	/nfs/dbraw/zinc/72/93/27/562729327.db2.gz	KZVYLDXQNAWYJY-SAYGYDPZSA-N	0	0	633.746	2.923	3	0		KFAFRN
COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)c2ccccc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000072141480	562729365	/nfs/dbraw/zinc/72/93/65/562729365.db2.gz	XBPXQLRMVHFGOB-FVCFNFBRSA-N	0	0	525.605	2.686	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccccc4)cc3)[C@H](C(C)C)C2=O)nn1	ZINC000072141610	562729408	/nfs/dbraw/zinc/72/94/08/562729408.db2.gz	SAKZTBXRQLMWKH-AREMUKBSSA-N	0	0	541.674	2.764	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccccc4)cc3)[C@@H](C(C)C)C2=O)nn1	ZINC000072141613	562729428	/nfs/dbraw/zinc/72/94/28/562729428.db2.gz	SAKZTBXRQLMWKH-SANMLTNESA-N	0	0	541.674	2.764	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O	ZINC000072142306	562729492	/nfs/dbraw/zinc/72/94/92/562729492.db2.gz	CAJXQRBOEHFXOS-ACOUYMLZSA-N	0	0	542.673	2.945	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@H]3N(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@H](OC(=O)NC4CCCC4)[C@@]3(O)C2)cc1	ZINC000072142420	562729535	/nfs/dbraw/zinc/72/95/35/562729535.db2.gz	CKTADRIJJQSXRQ-QSEAXJEQSA-N	0	0	596.703	2.759	3	0		KFAFRN
CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCNC(=O)c2[nH]cnc2C(=O)Nc2ccc(C(=O)OCC)cc2)cc1	ZINC000072151440	562730133	/nfs/dbraw/zinc/73/01/33/562730133.db2.gz	MVSZBLAQXIQVDB-UHFFFAOYSA-N	0	0	644.645	2.541	3	0		KFAFRN
CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1	ZINC000073310758	562737857	/nfs/dbraw/zinc/73/78/57/562737857.db2.gz	UOXVAOHPISCERM-GDLZYMKVSA-N	0	0	597.738	2.789	3	0		KFAFRN
CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1	ZINC000073310763	562737825	/nfs/dbraw/zinc/73/78/25/562737825.db2.gz	UOXVAOHPISCERM-LJAQVGFWSA-N	0	0	597.738	2.789	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000073353321	562738324	/nfs/dbraw/zinc/73/83/24/562738324.db2.gz	QEXGJGRYUGYWJV-BERHBOFZSA-N	0	0	571.700	2.916	3	0		KFAFRN
C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C	ZINC000085492439	562753145	/nfs/dbraw/zinc/75/31/45/562753145.db2.gz	ADDGUHVEJPNWQZ-GJKIWTKTSA-N	0	0	789.875	2.817	3	0		KFAFRN
C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C	ZINC000095546072	562758315	/nfs/dbraw/zinc/75/83/15/562758315.db2.gz	ADDGUHVEJPNWQZ-XGVBBJOFSA-N	0	0	789.875	2.817	3	0		KFAFRN
O=C(NCCN(CCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1)CCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1)c1[nH]cnc1C(=O)Nc1ccccc1	ZINC000095547312	562758700	/nfs/dbraw/zinc/75/87/00/562758700.db2.gz	TUSPGVCIGOGKHY-UHFFFAOYSA-N	0	0	785.826	2.505	3	0		KFAFRN
CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000095564590	562764426	/nfs/dbraw/zinc/76/44/26/562764426.db2.gz	QKSDQDDUEVSIAQ-OWVWTFTDSA-N	0	0	603.720	2.914	3	0		KFAFRN
CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000095564591	562764403	/nfs/dbraw/zinc/76/44/03/562764403.db2.gz	QKSDQDDUEVSIAQ-TUQFTLKDSA-N	0	0	603.720	2.914	3	0		KFAFRN
CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccccc1	ZINC000095564620	562764419	/nfs/dbraw/zinc/76/44/19/562764419.db2.gz	CUKOJVUQYCKUFP-KUYWTNKVSA-N	0	0	575.687	2.625	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O	ZINC000095564645	562764392	/nfs/dbraw/zinc/76/43/92/562764392.db2.gz	GRBJJCOZJCJTSC-IHMCZWCLSA-N	0	0	636.775	2.563	3	0		KFAFRN
Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	ZINC000095564710	562764435	/nfs/dbraw/zinc/76/44/35/562764435.db2.gz	YQEAZHSPJCEZGR-VBHSOAQHSA-N	0	0	545.456	2.986	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O	ZINC000095565117	562764558	/nfs/dbraw/zinc/76/45/58/562764558.db2.gz	WJAIMBKFVIKGAD-XLGIIRLISA-N	0	0	541.697	2.957	3	0		KFAFRN
COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000095565525	562764654	/nfs/dbraw/zinc/76/46/54/562764654.db2.gz	HYGBEFVCJOXCNJ-XZWCOCNFSA-N	0	0	532.519	2.526	3	0		KFAFRN
CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(OC)cc1	ZINC000095565965	562764734	/nfs/dbraw/zinc/76/47/34/562764734.db2.gz	XJPDSNKJJOFYLC-JTNFPWQOSA-N	0	0	522.602	2.644	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1	ZINC000095566500	562765032	/nfs/dbraw/zinc/76/50/32/562765032.db2.gz	JNUNLPPJCLAERU-HXUWFJFHSA-N	0	0	557.648	2.800	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1	ZINC000095566501	562765004	/nfs/dbraw/zinc/76/50/04/562765004.db2.gz	JNUNLPPJCLAERU-FQEVSTJZSA-N	0	0	557.648	2.800	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095566716	562765191	/nfs/dbraw/zinc/76/51/91/562765191.db2.gz	BKQPNZMATHQHFX-VHSZZVNMSA-N	0	0	555.701	2.790	3	0		KFAFRN
CC(C)C[C@H]1CN(CCCC[C@@H]2CNC(=O)C(=O)N2Cc2ccccc2)C(=O)C(=O)N1Cc1ccccc1	ZINC000095566781	562765263	/nfs/dbraw/zinc/76/52/63/562765263.db2.gz	RNBARZSXAFLNLR-FTJBHMTQSA-N	0	0	518.658	2.970	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)nc4)cc3)[C@H](C(C)C)C2=O)nn1	ZINC000095566884	562765277	/nfs/dbraw/zinc/76/52/77/562765277.db2.gz	AOACZPYMUVIHTP-RUZDIDTESA-N	0	0	577.107	2.813	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)nc4)cc3)[C@@H](C(C)C)C2=O)nn1	ZINC000095566885	562765390	/nfs/dbraw/zinc/76/53/90/562765390.db2.gz	AOACZPYMUVIHTP-VWLOTQADSA-N	0	0	577.107	2.813	3	0		KFAFRN
CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(CCC(=O)OC)C(=O)c1cc(OC)ccc12	ZINC000095567044	562765487	/nfs/dbraw/zinc/76/54/87/562765487.db2.gz	PLOSJZGAIJHCEL-SQHAQQRYSA-N	0	0	513.543	2.838	3	0		KFAFRN
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)NCc2ccc(F)cc2F)cc1C	ZINC000095567121	562765537	/nfs/dbraw/zinc/76/55/37/562765537.db2.gz	XSWCZRZYQKVFBT-VXKWHMMOSA-N	0	0	521.586	2.742	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccc3c(c2)OCO3)Oc2cc(Br)ccc2S1(=O)=O	ZINC000095567299	562765685	/nfs/dbraw/zinc/76/56/85/562765685.db2.gz	AOCANUFRUUCTCG-WIEQDCTASA-N	0	0	555.447	2.719	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ncc(Br)cc2C1=O	ZINC000095567312	562765697	/nfs/dbraw/zinc/76/56/97/562765697.db2.gz	QFFXDJBPBBEHRC-KSMMKXTCSA-N	0	0	530.416	2.524	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncc(Br)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000095567363	562765771	/nfs/dbraw/zinc/76/57/71/562765771.db2.gz	RBKHQDVGCDKRON-YRNRMSPPSA-N	0	0	526.453	2.693	3	0		KFAFRN
CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000095567389	562765720	/nfs/dbraw/zinc/76/57/20/562765720.db2.gz	IZHJCLLLAZXXJX-PIKWUAAASA-N	0	0	613.763	2.668	3	0		KFAFRN
CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1ccnc1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000095567390	562765741	/nfs/dbraw/zinc/76/57/41/562765741.db2.gz	IZHJCLLLAZXXJX-NGCWJHASSA-N	0	0	613.763	2.668	3	0		KFAFRN
Cc1cccc(CN2CCN([C@@H]3CN(Cc4cn(Cc5cccc(Cl)c5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095567494	562765871	/nfs/dbraw/zinc/76/58/71/562765871.db2.gz	MPANZZFKNOMOHU-RUZDIDTESA-N	0	0	515.083	2.620	3	0		KFAFRN
Cc1cccc(CN2CCN([C@H]3CN(Cc4cn(Cc5cccc(Cl)c5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095567495	562765852	/nfs/dbraw/zinc/76/58/52/562765852.db2.gz	MPANZZFKNOMOHU-VWLOTQADSA-N	0	0	515.083	2.620	3	0		KFAFRN
CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2	ZINC000095567522	562765893	/nfs/dbraw/zinc/76/58/93/562765893.db2.gz	BSYXKUYCHZOQEN-PBBNMVCDSA-N	0	0	539.629	2.900	3	0		KFAFRN
Cc1noc(C)c1NC(=O)O[C@@]12CN(S(=O)(=O)c3ccc(C)cc3)C[C@]1(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C2	ZINC000095567524	562765860	/nfs/dbraw/zinc/76/58/60/562765860.db2.gz	CJQREEXBHTYRAO-RRPNLBNLSA-N	0	0	623.685	2.945	3	0		KFAFRN
Cc1noc(C)c1NC(=O)O[C@@]12CN(S(=O)(=O)c3ccc(C)cc3)C[C@@]1(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C2	ZINC000095567525	562765877	/nfs/dbraw/zinc/76/58/77/562765877.db2.gz	CJQREEXBHTYRAO-KAYWLYCHSA-N	0	0	623.685	2.945	3	0		KFAFRN
COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)c1	ZINC000095567624	562765970	/nfs/dbraw/zinc/76/59/70/562765970.db2.gz	HFACHXLYMHQVQR-BJKOFHAPSA-N	0	0	529.659	2.863	3	0		KFAFRN
CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(=O)(=O)c1cccs1)[C@@H](C)CN([C@H](C)CO)C2=O	ZINC000095567645	562765976	/nfs/dbraw/zinc/76/59/76/562765976.db2.gz	MJOJAINLMBKQAW-SQGPQFPESA-N	0	0	538.692	2.819	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000095567706	562765996	/nfs/dbraw/zinc/76/59/96/562765996.db2.gz	SYWTUHWEQAODFK-BCQCSXDESA-N	0	0	571.700	2.916	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095567748	562766037	/nfs/dbraw/zinc/76/60/37/562766037.db2.gz	BKQPNZMATHQHFX-UMTXDNHDSA-N	0	0	555.701	2.790	3	0		KFAFRN
CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1cccs1)O2	ZINC000095567773	562766083	/nfs/dbraw/zinc/76/60/83/562766083.db2.gz	ZBZGQQNWAZIYSS-CSODHUTKSA-N	0	0	538.692	2.819	3	0		KFAFRN
CN(Cc1cn(Cc2cccc(Cl)c2)nn1)[C@@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1	ZINC000095567851	562766135	/nfs/dbraw/zinc/76/61/35/562766135.db2.gz	WTHQDMHBZVHCAW-XMMPIXPASA-N	0	0	561.499	2.919	3	0		KFAFRN
CN(Cc1cn(Cc2cccc(Cl)c2)nn1)[C@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1	ZINC000095567852	562766142	/nfs/dbraw/zinc/76/61/42/562766142.db2.gz	WTHQDMHBZVHCAW-DEOSSOPVSA-N	0	0	561.499	2.919	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095568203	562766376	/nfs/dbraw/zinc/76/63/76/562766376.db2.gz	QEXGJGRYUGYWJV-VHFRWLAGSA-N	0	0	571.700	2.916	3	0		KFAFRN
COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1	ZINC000095568276	562766453	/nfs/dbraw/zinc/76/64/53/562766453.db2.gz	SATNWOHXJJUOIC-QYWGDWMGSA-N	0	0	577.519	2.547	3	0		KFAFRN
CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1	ZINC000095568357	562766588	/nfs/dbraw/zinc/76/65/88/562766588.db2.gz	YSZBWKQOLATFMT-MUUNZHRXSA-N	0	0	597.738	2.789	3	0		KFAFRN
CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1	ZINC000095568358	562766593	/nfs/dbraw/zinc/76/65/93/562766593.db2.gz	YSZBWKQOLATFMT-NDEPHWFRSA-N	0	0	597.738	2.789	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2F)Oc2ncc(Br)cc2C1=O	ZINC000095568415	562766602	/nfs/dbraw/zinc/76/66/02/562766602.db2.gz	PBPZNDJOSVZXCB-PMUMKWKESA-N	0	0	530.416	2.524	3	0		KFAFRN
CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCN(C(=O)C3CC3)CC1)C2	ZINC000095568510	562766706	/nfs/dbraw/zinc/76/67/06/562766706.db2.gz	IGMABDAQHPUGFL-RCRUUEGKSA-N	0	0	551.640	2.852	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ncc(Br)cc2C1=O	ZINC000095568613	562766819	/nfs/dbraw/zinc/76/68/19/562766819.db2.gz	QFFXDJBPBBEHRC-BIENJYKASA-N	0	0	530.416	2.524	3	0		KFAFRN
CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1	ZINC000095568704	562766863	/nfs/dbraw/zinc/76/68/63/562766863.db2.gz	OENAPPDDAYIZDZ-GDLZYMKVSA-N	0	0	596.754	2.973	3	0		KFAFRN
CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1	ZINC000095568705	562766867	/nfs/dbraw/zinc/76/68/67/562766867.db2.gz	OENAPPDDAYIZDZ-LJAQVGFWSA-N	0	0	596.754	2.973	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccncc4)cc3)[C@H](CC(C)C)C2=O)nn1	ZINC000095568939	562767037	/nfs/dbraw/zinc/76/70/37/562767037.db2.gz	QDVLJHJZNKLFSQ-AREMUKBSSA-N	0	0	556.689	2.550	3	0		KFAFRN
COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccncc4)cc3)[C@@H](CC(C)C)C2=O)nn1	ZINC000095568940	562767008	/nfs/dbraw/zinc/76/70/08/562767008.db2.gz	QDVLJHJZNKLFSQ-SANMLTNESA-N	0	0	556.689	2.550	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccc(F)c2)Oc2ncc(Br)cc2C1=O	ZINC000095569041	562767091	/nfs/dbraw/zinc/76/70/91/562767091.db2.gz	DEBMOZKGAOXIRA-IQUTYRLHSA-N	0	0	530.416	2.524	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncc(Br)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000095569053	562767122	/nfs/dbraw/zinc/76/71/22/562767122.db2.gz	RBKHQDVGCDKRON-QINHECLXSA-N	0	0	526.453	2.693	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O	ZINC000095569192	562767211	/nfs/dbraw/zinc/76/72/11/562767211.db2.gz	WJAIMBKFVIKGAD-DRLORSAXSA-N	0	0	541.697	2.957	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)nc2)cc1	ZINC000095569370	562767387	/nfs/dbraw/zinc/76/73/87/562767387.db2.gz	GKNNFLOAOJTSHN-LJQANCHMSA-N	0	0	575.091	2.709	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)nc2)cc1	ZINC000095569371	562767398	/nfs/dbraw/zinc/76/73/98/562767398.db2.gz	GKNNFLOAOJTSHN-IBGZPJMESA-N	0	0	575.091	2.709	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccnc2)cc1	ZINC000095569453	562767427	/nfs/dbraw/zinc/76/74/27/562767427.db2.gz	CSPBVHNNQJRZQF-LJQANCHMSA-N	0	0	506.588	2.544	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccnc2)cc1	ZINC000095569454	562767436	/nfs/dbraw/zinc/76/74/36/562767436.db2.gz	CSPBVHNNQJRZQF-IBGZPJMESA-N	0	0	506.588	2.544	3	0		KFAFRN
COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC	ZINC000095569483	562767448	/nfs/dbraw/zinc/76/74/48/562767448.db2.gz	ALBMORLODFNWSD-JOCHJYFZSA-N	0	0	505.623	2.963	3	0		KFAFRN
COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC	ZINC000095569484	562767450	/nfs/dbraw/zinc/76/74/50/562767450.db2.gz	ALBMORLODFNWSD-QFIPXVFZSA-N	0	0	505.623	2.963	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095569830	562767722	/nfs/dbraw/zinc/76/77/22/562767722.db2.gz	QEXGJGRYUGYWJV-VHSZZVNMSA-N	0	0	571.700	2.916	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4C[C@H](OC(=O)NCc4ccccc4)[C@@]3(O)C2)cc1	ZINC000095569861	562767749	/nfs/dbraw/zinc/76/77/49/562767749.db2.gz	JKBOHTIROVXXBP-QEKFYRLUSA-N	0	0	589.670	2.851	3	0		KFAFRN
C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1	ZINC000095569881	562767786	/nfs/dbraw/zinc/76/77/86/562767786.db2.gz	MIEAGHTXJSQRNL-JOCHJYFZSA-N	0	0	582.727	2.727	3	0		KFAFRN
C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1	ZINC000095569882	562767762	/nfs/dbraw/zinc/76/77/62/562767762.db2.gz	MIEAGHTXJSQRNL-QFIPXVFZSA-N	0	0	582.727	2.727	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4C[C@H](OC(=O)NCc4ccccc4F)[C@@]3(O)C2)cc1	ZINC000095569886	562767784	/nfs/dbraw/zinc/76/77/84/562767784.db2.gz	IRQSGPPEUZWSSM-BFQXTTCBSA-N	0	0	607.660	2.990	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4C[C@H](OC(=O)NC4CCCC4)[C@@]3(O)C2)cc1	ZINC000095569924	562767790	/nfs/dbraw/zinc/76/77/90/562767790.db2.gz	SOEBXMBHVYRDLZ-SPHQYWNNSA-N	0	0	567.664	2.594	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@H]3N(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@H](OC(=O)NCc4ccco4)[C@@]3(O)C2)cc1	ZINC000095570006	562767867	/nfs/dbraw/zinc/76/78/67/562767867.db2.gz	HPDPEYVLONYOPO-QSEAXJEQSA-N	0	0	608.670	2.610	3	0		KFAFRN
Cc1ccc(-c2ccc(CN3[C@H](C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000095570030	562767874	/nfs/dbraw/zinc/76/78/74/562767874.db2.gz	ZIHKLAIXWJIOOV-OAQYLSRUSA-N	0	0	539.658	2.579	3	0		KFAFRN
Cc1ccc(-c2ccc(CN3[C@@H](C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000095570031	562767873	/nfs/dbraw/zinc/76/78/73/562767873.db2.gz	ZIHKLAIXWJIOOV-NRFANRHFSA-N	0	0	539.658	2.579	3	0		KFAFRN
CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccc3ccccc32)C(=O)N1CCCN1CCCC1=O	ZINC000095570044	562767861	/nfs/dbraw/zinc/76/78/61/562767861.db2.gz	JMYSYEQLWQKFMH-RUZDIDTESA-N	0	0	546.668	2.840	3	0		KFAFRN
CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccc3ccccc32)C(=O)N1CCCN1CCCC1=O	ZINC000095570045	562767886	/nfs/dbraw/zinc/76/78/86/562767886.db2.gz	JMYSYEQLWQKFMH-VWLOTQADSA-N	0	0	546.668	2.840	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2cccnc2)Oc2ncc(-c3ccc(C(=O)N(C)C)cc3)cc2C1=O	ZINC000095570081	562767895	/nfs/dbraw/zinc/76/78/95/562767895.db2.gz	VCCVFAYJTMFBQW-XMERXJNXSA-N	0	0	545.640	2.838	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095570186	562767960	/nfs/dbraw/zinc/76/79/60/562767960.db2.gz	QEXGJGRYUGYWJV-LOYIFYEOSA-N	0	0	571.700	2.916	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000095570415	562768153	/nfs/dbraw/zinc/76/81/53/562768153.db2.gz	KKXDONJUIJKAIN-OREGWCPLSA-N	0	0	555.701	2.790	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@]3(OC(=O)NC3CCCC3)C2)cc1	ZINC000095570519	562768279	/nfs/dbraw/zinc/76/82/79/562768279.db2.gz	QKZCDFRGSRJXSJ-RRPNLBNLSA-N	0	0	596.703	2.761	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@@]3(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@]3(OC(=O)NC3CCCC3)C2)cc1	ZINC000095570520	562768263	/nfs/dbraw/zinc/76/82/63/562768263.db2.gz	QKZCDFRGSRJXSJ-KAYWLYCHSA-N	0	0	596.703	2.761	3	0		KFAFRN
COc1ccc(CNC(=O)C[C@@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(C)c4[nH]c5ccccc5c4CCN3C2=O)cc1OC	ZINC000095570537	562768277	/nfs/dbraw/zinc/76/82/77/562768277.db2.gz	YGXYRORIKLHHJV-VKKVRDMRSA-N	0	0	574.678	2.986	3	0		KFAFRN
COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(C)c4[nH]c5ccccc5c4CCN3C2=O)cc1OC	ZINC000095570538	562768264	/nfs/dbraw/zinc/76/82/64/562768264.db2.gz	YGXYRORIKLHHJV-XWBPTTGPSA-N	0	0	574.678	2.986	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000095570967	562768681	/nfs/dbraw/zinc/76/86/81/562768681.db2.gz	KKXDONJUIJKAIN-BCQCSXDESA-N	0	0	555.701	2.790	3	0		KFAFRN
COc1cccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)c1	ZINC000095570991	562768655	/nfs/dbraw/zinc/76/86/55/562768655.db2.gz	SATNWOHXJJUOIC-VWKPWSFCSA-N	0	0	577.519	2.547	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095571067	562768758	/nfs/dbraw/zinc/76/87/58/562768758.db2.gz	QEXGJGRYUGYWJV-UMTXDNHDSA-N	0	0	571.700	2.916	3	0		KFAFRN
O=S1(=O)C[C@H](N2CCN(Cc3ccccc3F)CC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1	ZINC000095571080	562768813	/nfs/dbraw/zinc/76/88/13/562768813.db2.gz	RVRXKPXWEJKXBP-HSZRJFAPSA-N	0	0	552.598	2.816	3	0		KFAFRN
O=S1(=O)C[C@@H](N2CCN(Cc3ccccc3F)CC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1	ZINC000095571081	562768790	/nfs/dbraw/zinc/76/87/90/562768790.db2.gz	RVRXKPXWEJKXBP-QHCPKHFHSA-N	0	0	552.598	2.816	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccccn2)Oc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2S1(=O)=O	ZINC000095571111	562768771	/nfs/dbraw/zinc/76/87/71/562768771.db2.gz	BMXBPOGJTKBZMY-XJGOYTCSSA-N	0	0	594.734	2.920	3	0		KFAFRN
CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C	ZINC000095571132	562768824	/nfs/dbraw/zinc/76/88/24/562768824.db2.gz	IBUAKRZVPMOGAB-SKYBXZRDSA-N	0	0	551.732	2.888	3	0		KFAFRN
CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C	ZINC000095571133	562768854	/nfs/dbraw/zinc/76/88/54/562768854.db2.gz	IBUAKRZVPMOGAB-BCIHLANJSA-N	0	0	551.732	2.888	3	0		KFAFRN
O=S1(=O)C[C@H](N2CCN(Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1	ZINC000095571146	562768816	/nfs/dbraw/zinc/76/88/16/562768816.db2.gz	MWKLIVLZFPSSEZ-HSZRJFAPSA-N	0	0	552.598	2.816	3	0		KFAFRN
O=S1(=O)C[C@@H](N2CCN(Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1	ZINC000095571147	562768851	/nfs/dbraw/zinc/76/88/51/562768851.db2.gz	MWKLIVLZFPSSEZ-QHCPKHFHSA-N	0	0	552.598	2.816	3	0		KFAFRN
Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000095571202	562768839	/nfs/dbraw/zinc/76/88/39/562768839.db2.gz	YQEAZHSPJCEZGR-JCGVRSQUSA-N	0	0	545.456	2.986	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2cc(Br)ccc2S1(=O)=O	ZINC000095571262	562768954	/nfs/dbraw/zinc/76/89/54/562768954.db2.gz	HIPOFMXLOVDGIW-TWOQFEAHSA-N	0	0	547.493	2.538	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2F)Oc2cc(Br)ccc2S1(=O)=O	ZINC000095571263	562768949	/nfs/dbraw/zinc/76/89/49/562768949.db2.gz	AWIDAHUVYZKAFA-YZVOILCLSA-N	0	0	565.483	2.678	3	0		KFAFRN
CCOC(=O)N1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1	ZINC000095571281	562768931	/nfs/dbraw/zinc/76/89/31/562768931.db2.gz	VKKXVVKIGLOFSJ-DEOSSOPVSA-N	0	0	501.547	2.845	3	0		KFAFRN
CCOC(=O)N1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1	ZINC000095571282	562768968	/nfs/dbraw/zinc/76/89/68/562768968.db2.gz	VKKXVVKIGLOFSJ-XMMPIXPASA-N	0	0	501.547	2.845	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000095571456	562769051	/nfs/dbraw/zinc/76/90/51/562769051.db2.gz	JRYQADGHTCMAFR-MUUNZHRXSA-N	0	0	583.711	2.916	3	0		KFAFRN
COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CCC5OCCO5)nn4)CCS3(=O)=O)cc2)cc1	ZINC000095571457	562769068	/nfs/dbraw/zinc/76/90/68/562769068.db2.gz	JRYQADGHTCMAFR-NDEPHWFRSA-N	0	0	583.711	2.916	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O	ZINC000095571563	562769118	/nfs/dbraw/zinc/76/91/18/562769118.db2.gz	BKQPNZMATHQHFX-BCQCSXDESA-N	0	0	555.701	2.790	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O	ZINC000095571567	562769111	/nfs/dbraw/zinc/76/91/11/562769111.db2.gz	WJAIMBKFVIKGAD-AOJNWGRGSA-N	0	0	541.697	2.957	3	0		KFAFRN
CC[C@@]1(C(=O)OC)N[C@H](CN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000095598675	562777450	/nfs/dbraw/zinc/77/74/50/562777450.db2.gz	IPAZNDHJLRJOKL-CDLOMYRSSA-N	0	0	555.697	2.700	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O	ZINC000095598782	562777467	/nfs/dbraw/zinc/77/74/67/562777467.db2.gz	WJAIMBKFVIKGAD-UFPGJGBJSA-N	0	0	541.697	2.957	3	0		KFAFRN
COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2	ZINC000095598866	562777611	/nfs/dbraw/zinc/77/76/11/562777611.db2.gz	CLXUGDGFYAYHDG-RCRUUEGKSA-N	0	0	551.640	2.852	3	0		KFAFRN
CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCC=C3N(Cc3ccc4c(c3)OCO4)C2=O)CC1	ZINC000095598955	562777669	/nfs/dbraw/zinc/77/76/69/562777669.db2.gz	GWVDHDZBXRFJAU-NGOKVRLYSA-N	0	0	541.601	2.682	3	0		KFAFRN
CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2	ZINC000095599153	562777803	/nfs/dbraw/zinc/77/78/03/562777803.db2.gz	IDGXOAQPPRPVNI-DFXYEROKSA-N	0	0	563.607	2.959	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000095599355	562777988	/nfs/dbraw/zinc/77/79/88/562777988.db2.gz	HFDOIJULVRDPRU-AOJNWGRGSA-N	0	0	541.697	2.957	3	0		KFAFRN
O=C(/C=C/[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)c2ccccc2)[C@H](O)[C@@H]1O)NCc1cccc2ccccc21	ZINC000095599405	562778060	/nfs/dbraw/zinc/77/80/60/562778060.db2.gz	IAMFWMQMNPKWEZ-HAVZWTCJSA-N	0	0	550.575	2.724	3	0		KFAFRN
Cc1noc(C)c1NC(=O)O[C@H]1CN(C(=O)OC(C)C)N(C(=O)OC(C)C)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@]21O	ZINC000095599429	562778039	/nfs/dbraw/zinc/77/80/39/562778039.db2.gz	STXPQIZGMSMONN-UMTXDNHDSA-N	0	0	623.685	2.944	3	0		KFAFRN
O=C1NC[C@H](CCCCN2C[C@H](Cc3ccc(O)cc3)N(Cc3ccccc3)C(=O)C2=O)N(CCc2ccc(O)cc2)C1=O	ZINC000095599623	562778225	/nfs/dbraw/zinc/77/82/25/562778225.db2.gz	GXHXGKQYGFPXKD-NSOVKSMOSA-N	0	0	598.700	2.620	3	0		KFAFRN
Cc1noc(C)c1NC(=O)O[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@]21O	ZINC000095599850	562778368	/nfs/dbraw/zinc/77/83/68/562778368.db2.gz	NVUYQQIOTIVINP-LXNCMHLISA-N	0	0	594.646	2.778	3	0		KFAFRN
O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cnccn2)O1)NCc1ccc(Oc2ccccc2)cc1	ZINC000095599855	562778403	/nfs/dbraw/zinc/77/84/03/562778403.db2.gz	PYTZHGBIVUXMTM-CYUUXAIJSA-N	0	0	532.597	2.725	3	0		KFAFRN
COC(=O)C1(C(=O)OC)c2ncccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1CC(=O)c1ccccc1	ZINC000095600069	562778584	/nfs/dbraw/zinc/77/85/84/562778584.db2.gz	IMDXRVAZDPGENJ-QFIPXVFZSA-N	0	0	508.552	2.824	3	0		KFAFRN
COC(=O)C1(C(=O)OC)c2ncccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CC(=O)c1ccccc1	ZINC000095600070	562778587	/nfs/dbraw/zinc/77/85/87/562778587.db2.gz	IMDXRVAZDPGENJ-JOCHJYFZSA-N	0	0	508.552	2.824	3	0		KFAFRN
COc1cc(CN2C[C@H](n3cnc4c3ncnc4NCc3ccc(F)cc3)O[C@H](CO)C2)cc(OC)c1OC	ZINC000095600274	562778780	/nfs/dbraw/zinc/77/87/80/562778780.db2.gz	FWKITRCIJOJHCY-NZQKXSOJSA-N	0	0	538.580	2.995	3	0		KFAFRN
O=C(NCCc1ccccc1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1	ZINC000095600278	562778759	/nfs/dbraw/zinc/77/87/59/562778759.db2.gz	YNNMVTLJQCRCIA-GOTSBHOMSA-N	0	0	505.059	2.980	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2F)Oc2ncc(Br)cc2C1=O	ZINC000095600465	562778910	/nfs/dbraw/zinc/77/89/10/562778910.db2.gz	PBPZNDJOSVZXCB-DEYYWGMASA-N	0	0	530.416	2.524	3	0		KFAFRN
CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCc2ccc(O)cc2)C(=O)C(=O)N1CCc1ccccc1	ZINC000095600590	562779027	/nfs/dbraw/zinc/77/90/27/562779027.db2.gz	KHZSDWNCDIYUJW-SVBPBHIXSA-N	0	0	562.711	2.760	3	0		KFAFRN
COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H](CO)O2)cc(OC)c1OC	ZINC000095600720	562779161	/nfs/dbraw/zinc/77/91/61/562779161.db2.gz	XWGQLBJQKGKZLD-YADARESESA-N	0	0	564.599	2.585	3	0		KFAFRN
CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCCN1CCCC1=O	ZINC000095600842	562779273	/nfs/dbraw/zinc/77/92/73/562779273.db2.gz	FQRAKRIAPIFLEJ-HSZRJFAPSA-N	0	0	523.678	2.668	3	0		KFAFRN
CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCCN1CCCC1=O	ZINC000095600843	562779269	/nfs/dbraw/zinc/77/92/69/562779269.db2.gz	FQRAKRIAPIFLEJ-QHCPKHFHSA-N	0	0	523.678	2.668	3	0		KFAFRN
CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2Cc2ccccc2)C(=O)C(=O)N1CCc1ccc(O)cc1	ZINC000095600844	562779262	/nfs/dbraw/zinc/77/92/62/562779262.db2.gz	YZOCJUMMVIIHOM-UIOOFZCWSA-N	0	0	548.684	2.718	3	0		KFAFRN
COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2	ZINC000095600937	562779295	/nfs/dbraw/zinc/77/92/95/562779295.db2.gz	LCIFGGDJEQDUCG-PIIWDFAUSA-N	0	0	511.619	2.962	3	0		KFAFRN
COc1ccc(CN2C[C@H](n3cnc4c3ncnc4NCc3cc(OC)c(OC)c(OC)c3)O[C@H](CO)C2)cc1	ZINC000095600962	562779399	/nfs/dbraw/zinc/77/93/99/562779399.db2.gz	BFQVEJIZUJUWRX-XUZZJYLKSA-N	0	0	550.616	2.865	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@]3(OC(=O)NCc3ccco3)C2)cc1	ZINC000095601603	562779670	/nfs/dbraw/zinc/77/96/70/562779670.db2.gz	VRQAZEMNRFVUKH-RRPNLBNLSA-N	0	0	608.670	2.611	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@@]3(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@]3(OC(=O)NCc3ccco3)C2)cc1	ZINC000095601604	562779692	/nfs/dbraw/zinc/77/96/92/562779692.db2.gz	VRQAZEMNRFVUKH-KAYWLYCHSA-N	0	0	608.670	2.611	3	0		KFAFRN
O=C1NC[C@H](CCCCN2C[C@H](Cc3ccccc3)N(CCc3ccc(O)cc3)C(=O)C2=O)N(CCc2ccc(O)cc2)C1=O	ZINC000095601942	562779826	/nfs/dbraw/zinc/77/98/26/562779826.db2.gz	UWDNGSZCATYOME-VMPREFPWSA-N	0	0	612.727	2.662	3	0		KFAFRN
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ncc(-c4ccncc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1	ZINC000095601992	562779810	/nfs/dbraw/zinc/77/98/10/562779810.db2.gz	HVXYPKLGQFAJQS-XHNVNVPESA-N	0	0	540.642	2.693	3	0		KFAFRN
CC(C)C[C@H]1CN(CCCC[C@@H]2CNC(=O)C(=O)N2CCc2ccccc2)C(=O)C(=O)N1CCc1ccc(O)cc1	ZINC000095602413	562780097	/nfs/dbraw/zinc/78/00/97/562780097.db2.gz	HBDAXKJJDLLNKN-SXOMAYOGSA-N	0	0	562.711	2.760	3	0		KFAFRN
Cc1cccc(CN2CCN([C@@H]3CN(Cc4cn(Cc5ccc(Cl)cc5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095603086	562780334	/nfs/dbraw/zinc/78/03/34/562780334.db2.gz	SHZQDVBGZFHFTN-RUZDIDTESA-N	0	0	515.083	2.620	3	0		KFAFRN
Cc1cccc(CN2CCN([C@H]3CN(Cc4cn(Cc5ccc(Cl)cc5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095603087	562780376	/nfs/dbraw/zinc/78/03/76/562780376.db2.gz	SHZQDVBGZFHFTN-VWLOTQADSA-N	0	0	515.083	2.620	3	0		KFAFRN
CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C	ZINC000095603103	562780329	/nfs/dbraw/zinc/78/03/29/562780329.db2.gz	FMKORLLWCWHYJN-CERFGUIQSA-N	0	0	558.123	2.764	3	0		KFAFRN
Cc1cccc(CN2CCN([C@@H]3CN(Cc4cn(Cc5cccc(C(F)(F)F)c5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095603415	562780518	/nfs/dbraw/zinc/78/05/18/562780518.db2.gz	MFTOQONMWJAUMS-RUZDIDTESA-N	0	0	548.635	2.985	3	0		KFAFRN
Cc1cccc(CN2CCN([C@H]3CN(Cc4cn(Cc5cccc(C(F)(F)F)c5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095603416	562780504	/nfs/dbraw/zinc/78/05/04/562780504.db2.gz	MFTOQONMWJAUMS-VWLOTQADSA-N	0	0	548.635	2.985	3	0		KFAFRN
Cc1cccc(CN2CCN([C@@H]3CN(Cc4cn(Cc5cc(C)cc(C)c5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095604252	562780921	/nfs/dbraw/zinc/78/09/21/562780921.db2.gz	CIIXUZNNVFAXMU-HHHXNRCGSA-N	0	0	508.692	2.583	3	0		KFAFRN
Cc1cccc(CN2CCN([C@H]3CN(Cc4cn(Cc5cc(C)cc(C)c5)nn4)S(=O)(=O)C3)CC2)c1	ZINC000095604253	562780900	/nfs/dbraw/zinc/78/09/00/562780900.db2.gz	CIIXUZNNVFAXMU-MHZLTWQESA-N	0	0	508.692	2.583	3	0		KFAFRN
COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(CCc3ccccc3)C[C@@H](CO)O2)cc(OC)c1OC	ZINC000095604277	562780934	/nfs/dbraw/zinc/78/09/34/562780934.db2.gz	APNWBABUCPMGOO-XUZZJYLKSA-N	0	0	534.617	2.899	3	0		KFAFRN
COC(=O)[C@@]12C[C@@H](CC(=O)NCCCN3CCCC3=O)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2	ZINC000095604860	562781226	/nfs/dbraw/zinc/78/12/26/562781226.db2.gz	PITAYNLSLGJIJZ-PBBNMVCDSA-N	0	0	539.629	2.900	3	0		KFAFRN
COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3ccc(F)cc3)C[C@@H](CO)O2)cc(OC)c1OC	ZINC000095604917	562781297	/nfs/dbraw/zinc/78/12/97/562781297.db2.gz	ZPDWLIRFAFYNED-NZQKXSOJSA-N	0	0	538.580	2.995	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2F)Oc2cc(Br)ccc2S1(=O)=O	ZINC000095605359	562781493	/nfs/dbraw/zinc/78/14/93/562781493.db2.gz	AWIDAHUVYZKAFA-DOXZYTNZSA-N	0	0	565.483	2.678	3	0		KFAFRN
CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OC)CCCCC=C3N(Cc3ccco3)C2=O)CC1	ZINC000095605369	562781501	/nfs/dbraw/zinc/78/15/01/562781501.db2.gz	SXKWZBNDUTXZJB-BCHFMIIMSA-N	0	0	501.580	2.936	3	0		KFAFRN
CN(Cc1cn(Cc2ccc(Cl)cc2)nn1)[C@@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1	ZINC000095605455	562781580	/nfs/dbraw/zinc/78/15/80/562781580.db2.gz	PZGRKAPLAMNZQX-XMMPIXPASA-N	0	0	561.499	2.919	3	0		KFAFRN
CN(Cc1cn(Cc2ccc(Cl)cc2)nn1)[C@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1	ZINC000095605456	562781558	/nfs/dbraw/zinc/78/15/58/562781558.db2.gz	PZGRKAPLAMNZQX-DEOSSOPVSA-N	0	0	561.499	2.919	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ncc(Br)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000095605687	562781652	/nfs/dbraw/zinc/78/16/52/562781652.db2.gz	RBKHQDVGCDKRON-RZQQEMMASA-N	0	0	526.453	2.693	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccn2)Oc2ncc(-c3cccc(C(=O)N(C)C)c3)cc2C1=O	ZINC000095661176	562788079	/nfs/dbraw/zinc/78/80/79/562788079.db2.gz	NKUWSRJFYIGIDK-IZVMNLJQSA-N	0	0	559.667	2.767	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ncc(Br)cc2C1=O	ZINC000095664265	562788106	/nfs/dbraw/zinc/78/81/06/562788106.db2.gz	SIKYFMKLFHRFBE-MNVSYLFESA-N	0	0	535.395	2.957	3	0		KFAFRN
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O	ZINC000095694124	562788486	/nfs/dbraw/zinc/78/84/86/562788486.db2.gz	WJAIMBKFVIKGAD-VRUMLPLGSA-N	0	0	541.697	2.957	3	0		KFAFRN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cnnn2CCCC1=O	ZINC000095699119	562788585	/nfs/dbraw/zinc/78/85/85/562788585.db2.gz	WJAIMBKFVIKGAD-MCEYFSPLSA-N	0	0	541.697	2.957	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000095726118	562788705	/nfs/dbraw/zinc/78/87/05/562788705.db2.gz	MKFDRGBJPDLEFY-CSODHUTKSA-N	0	0	561.520	2.847	3	0		KFAFRN
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000100087120	562806731	/nfs/dbraw/zinc/80/67/31/562806731.db2.gz	KKXDONJUIJKAIN-VHSZZVNMSA-N	0	0	555.701	2.790	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000100319503	562806874	/nfs/dbraw/zinc/80/68/74/562806874.db2.gz	KKXDONJUIJKAIN-LOYIFYEOSA-N	0	0	555.701	2.790	3	0		KFAFRN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)OCc2cn(nn2)CCCC1=O	ZINC000100349270	562806906	/nfs/dbraw/zinc/80/69/06/562806906.db2.gz	SYWTUHWEQAODFK-LOYIFYEOSA-N	0	0	571.700	2.916	3	0		KFAFRN
CCn1c(=O)c(C(c2ccc(OC)c(O)c2)c2c(O)nc(SC)n(CC)c2=O)c([O-])nc1SC	ZINC000102357747	562813210	/nfs/dbraw/zinc/81/32/10/562813210.db2.gz	XWHNRKUCSVITFZ-UHFFFAOYSA-N	0	0	506.606	2.589	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(O)C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4C[C@]3(OC(=O)NCc3ccco3)C2)cc1	ZINC000104159302	562825118	/nfs/dbraw/zinc/82/51/18/562825118.db2.gz	ATIMABSOLDISEE-OTEJSBPHSA-N	0	0	579.631	2.588	3	0		KFAFRN
CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O	ZINC000104221667	562825120	/nfs/dbraw/zinc/82/51/20/562825120.db2.gz	CAJXQRBOEHFXOS-UAHDEAOOSA-N	0	0	542.673	2.945	3	0		KFAFRN
Cc1noc(C)c1NC(=O)O[C@]12CN(S(=O)(=O)c3ccc(C)cc3)C[C@@]1(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C2	ZINC000169293472	562852095	/nfs/dbraw/zinc/85/20/95/562852095.db2.gz	CJQREEXBHTYRAO-SXOMAYOGSA-N	0	0	623.685	2.945	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(OC(=O)NC4CCCC4)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@]3(O)C2)cc1	ZINC000169294141	562852187	/nfs/dbraw/zinc/85/21/87/562852187.db2.gz	QKZCDFRGSRJXSJ-SXOMAYOGSA-N	0	0	596.703	2.761	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@@]3(OC(=O)NC3CCCC3)C2)cc1	ZINC000169294142	562852214	/nfs/dbraw/zinc/85/22/14/562852214.db2.gz	QKZCDFRGSRJXSJ-SVBPBHIXSA-N	0	0	596.703	2.761	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(OC(=O)NCc4ccco4)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@]3(O)C2)cc1	ZINC000169299234	562852751	/nfs/dbraw/zinc/85/27/51/562852751.db2.gz	VRQAZEMNRFVUKH-SXOMAYOGSA-N	0	0	608.670	2.611	3	0		KFAFRN
Cc1ccc(S(=O)(=O)N2C[C@]3(O)CN(C(=O)OC(C)C)N(C(=O)OC(C)C)C[C@@]3(OC(=O)NCc3ccco3)C2)cc1	ZINC000169299235	562852753	/nfs/dbraw/zinc/85/27/53/562852753.db2.gz	VRQAZEMNRFVUKH-SVBPBHIXSA-N	0	0	608.670	2.611	3	0		KFAFRN
CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCCN1CCCC1=O	ZINC000169303571	562853238	/nfs/dbraw/zinc/85/32/38/562853238.db2.gz	GSWRYQUYFFAAHB-QHCPKHFHSA-N	0	0	525.694	2.911	3	0		KFAFRN
CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCCN1CCCC1=O	ZINC000169303573	562853220	/nfs/dbraw/zinc/85/32/20/562853220.db2.gz	GSWRYQUYFFAAHB-HSZRJFAPSA-N	0	0	525.694	2.911	3	0		KFAFRN
CC(C)C[C@H]1CN(CCCC[C@@H]2CNC(=O)C(=O)N2Cc2ccccc2)C(=O)C(=O)N1CCc1ccc(O)cc1	ZINC000169304323	562853302	/nfs/dbraw/zinc/85/33/02/562853302.db2.gz	YZOCJUMMVIIHOM-FTJBHMTQSA-N	0	0	548.684	2.718	3	0		KFAFRN
CC[C@H](NC(=O)CC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)c2ccccc2)[C@H](O)[C@@H]1O)c1ccccc1	ZINC000169304805	562853395	/nfs/dbraw/zinc/85/33/95/562853395.db2.gz	VMHYIQDHDMVJBH-SFCVBKHESA-N	0	0	530.585	2.746	3	0		KFAFRN
CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCc2ccccc2)C(=O)C(=O)N1CCc1ccc(O)cc1	ZINC000169304821	562853378	/nfs/dbraw/zinc/85/33/78/562853378.db2.gz	HBDAXKJJDLLNKN-SVBPBHIXSA-N	0	0	562.711	2.760	3	0		KFAFRN
Cc1ccc(NC(=O)CC[C@H]2O[C@@H](n3cnc4c3ncnc4NC(=O)c3ccccc3)[C@H](O)[C@@H]2O)cc1C	ZINC000169304860	562853396	/nfs/dbraw/zinc/85/33/96/562853396.db2.gz	RPFMJUJRWMFKLR-CPLTYXLBSA-N	0	0	516.558	2.734	3	0		KFAFRN
O=C1NC[C@H](CCCCN2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)N(CCc2ccccc2)C1=O	ZINC000169340015	562860572	/nfs/dbraw/zinc/86/05/72/562860572.db2.gz	OSILYEQAEQVMRX-KYJUHHDHSA-N	0	0	596.728	2.957	3	0		KFAFRN
O=C(CC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)c2ccccc2)[C@H](O)[C@@H]1O)NCc1ccc(OC(F)(F)F)cc1	ZINC000169341180	562860760	/nfs/dbraw/zinc/86/07/60/562860760.db2.gz	XNDPGOLIDKRDTL-IUVOSCESSA-N	0	0	586.527	2.693	3	0		KFAFRN
COc1cccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1OC	ZINC000245227193	562881303	/nfs/dbraw/zinc/88/13/03/562881303.db2.gz	FKIMNBQQOREMEV-NHCUHLMSSA-N	0	0	554.687	2.531	3	0		KFAFRN
COc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1OC	ZINC000245227194	562881302	/nfs/dbraw/zinc/88/13/02/562881302.db2.gz	FKIMNBQQOREMEV-RTWAWAEBSA-N	0	0	554.687	2.531	3	0		KFAFRN