smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(=O)[C@@H](NC(C)=O)[C@@H](C)O	ZINC000001550374	561677455	/nfs/dbraw/zinc/67/74/55/561677455.db2.gz	ZZQRMFHMBGYDNK-GJEGPGMTSA-N	0	2	511.425	2.016	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc2c(cc1OC)OCC[C@H]2CNC(=O)c1cc(Cl)ccc1OC	ZINC000002005518	561680396	/nfs/dbraw/zinc/68/03/96/561680396.db2.gz	XAJGHFVDPLJQQQ-LBPRGKRZSA-N	0	2	514.025	2.436	1	0		KEAFLN
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)s1	ZINC000003924022	561686323	/nfs/dbraw/zinc/68/63/23/561686323.db2.gz	JEPQZPNWWIREEX-UHFFFAOYSA-N	0	2	527.993	2.358	1	0		KEAFLN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1	ZINC000003988124	561693053	/nfs/dbraw/zinc/69/30/53/561693053.db2.gz	OHHWEUDPXJDZGT-SFHVURJKSA-N	0	2	582.564	2.496	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc2c(cc1OC)OCC[C@@H]2CNC(=O)c1cc(Cl)ccc1OC	ZINC000004394312	561694893	/nfs/dbraw/zinc/69/48/93/561694893.db2.gz	XAJGHFVDPLJQQQ-GFCCVEGCSA-N	0	2	514.025	2.436	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OCCOC	ZINC000008576106	561705711	/nfs/dbraw/zinc/70/57/11/561705711.db2.gz	HRGHDAQJEIQZCM-UHFFFAOYSA-N	0	2	516.041	2.129	1	0		KEAFLN
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(Nc2cccc[nH+]2)CC1	ZINC000013486981	561715018	/nfs/dbraw/zinc/71/50/18/561715018.db2.gz	BCCJVQZVPBIAAK-NRFANRHFSA-N	0	2	506.563	2.407	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)cc(OC)c1OC	ZINC000013558433	561719298	/nfs/dbraw/zinc/71/92/98/561719298.db2.gz	LAZPSKFAVHYPBG-UHFFFAOYSA-N	0	2	502.014	2.121	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)c(OC)cc1OC	ZINC000013558434	561719274	/nfs/dbraw/zinc/71/92/74/561719274.db2.gz	YUXCZTNZTZVAPH-UHFFFAOYSA-N	0	2	502.014	2.121	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)c(OC)c(C)c1OC	ZINC000013558436	561719264	/nfs/dbraw/zinc/71/92/64/561719264.db2.gz	OMGIXSLLBWMMBD-UHFFFAOYSA-N	0	2	516.041	2.429	1	0		KEAFLN
Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(CC[NH+]3CCOCC3)c3ccccc32)n1	ZINC000013561039	561719831	/nfs/dbraw/zinc/71/98/31/561719831.db2.gz	RUXNEULYFPIVIB-UHSQPCAPSA-N	0	2	531.613	2.138	1	0		KEAFLN
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@H](CCCCNc3cccc[nH+]3)C2)C(=O)[O-])c(C)c1	ZINC000013803564	561731023	/nfs/dbraw/zinc/73/10/23/561731023.db2.gz	FQNWZNJQJCOFLO-FPOVZHCZSA-N	0	2	531.635	2.282	1	0		KEAFLN
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@H](CCCCNc3cccc[nH+]3)C2)C(=O)[O-])c(C)c1	ZINC000013803567	561731094	/nfs/dbraw/zinc/73/10/94/561731094.db2.gz	FQNWZNJQJCOFLO-CTNGQTDRSA-N	0	2	531.635	2.282	1	0		KEAFLN
CC(C)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@H](CCCCNc3cccc[nH+]3)C2)C(=O)[O-])cc1	ZINC000013803592	561731019	/nfs/dbraw/zinc/73/10/19/561731019.db2.gz	HGURBFCYYSMPRT-UGKGYDQZSA-N	0	2	531.635	2.480	1	0		KEAFLN
CC(C)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@H](CCCCNc3cccc[nH+]3)C2)C(=O)[O-])cc1	ZINC000013803595	561731099	/nfs/dbraw/zinc/73/10/99/561731099.db2.gz	HGURBFCYYSMPRT-KNQAVFIVSA-N	0	2	531.635	2.480	1	0		KEAFLN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)NS(=O)(=O)c1ccccc1	ZINC000013803630	561731107	/nfs/dbraw/zinc/73/11/07/561731107.db2.gz	RKTZQFTWQXZUEZ-NRFANRHFSA-N	0	2	522.587	2.095	1	0		KEAFLN
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2C3CC[NH+](CC3)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944059	561741986	/nfs/dbraw/zinc/74/19/86/561741986.db2.gz	MGQDMSJZRRHMFT-DCFHFQCYSA-N	0	2	576.558	2.488	1	0		KEAFLN
O=C([O-])c1ccccc1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944107	561742109	/nfs/dbraw/zinc/74/21/09/561742109.db2.gz	KPJDEGAKXAUVAC-NFBKMPQASA-N	0	2	534.521	2.440	1	0		KEAFLN
O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nn[nH]n2)c(O)c1)c1ccc(O)cc1	ZINC000014944159	561742319	/nfs/dbraw/zinc/74/23/19/561742319.db2.gz	DKHPQQRGPHOKBV-DYESRHJHSA-N	0	2	545.508	2.428	1	0		KEAFLN
Cn1nnc(-c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O[C@@H]3CCC[C@H]3NC(=O)c3ccc(O)cc3)cc2O)n1	ZINC000014944161	561742323	/nfs/dbraw/zinc/74/23/23/561742323.db2.gz	SGCYOAAMNDQWOT-XMSQKQJNSA-N	0	2	559.535	2.438	1	0		KEAFLN
Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000014944164	561742344	/nfs/dbraw/zinc/74/23/44/561742344.db2.gz	VQNBVFSWJQHISD-XMSQKQJNSA-N	0	2	559.535	2.438	1	0		KEAFLN
COc1nc2[nH]cc(C(=O)C(=O)N3CC[C@@H](O)C3)c2cc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2F)C1	ZINC000016052434	561753885	/nfs/dbraw/zinc/75/38/85/561753885.db2.gz	GRRHHDRNCLEFSY-MRXNPFEDSA-N	0	2	550.522	2.145	1	0		KEAFLN
O=C1NC(=S)NC(=O)C1(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCN(CCO)CC1	ZINC000022933631	561760392	/nfs/dbraw/zinc/76/03/92/561760392.db2.gz	URXHOHGQEBFJOX-UHFFFAOYSA-N	0	2	519.421	2.418	1	0		KEAFLN
CC[NH+]1CCN(c2c(=O)c(=O)c2N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])CC1	ZINC000025998852	561765316	/nfs/dbraw/zinc/76/53/16/561765316.db2.gz	UNDDSOFKUNBHJW-SFHVURJKSA-N	0	2	546.411	2.486	1	0		KEAFLN
[NH3+]C[C@H]1C[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)[C@@H](NC(=O)c2ccc(O)cc2)C1	ZINC000026249152	561773798	/nfs/dbraw/zinc/77/37/98/561773798.db2.gz	BPNNZZBLGSVSAA-CBJTVTONSA-N	0	2	550.520	2.131	1	0		KEAFLN
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C3CC[NH+](CC3)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026285434	561779805	/nfs/dbraw/zinc/77/98/05/561779805.db2.gz	MGQDMSJZRRHMFT-CCLHPLFOSA-N	0	2	576.558	2.488	1	0		KEAFLN
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C3CC[NH+](CC3)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026285445	561779825	/nfs/dbraw/zinc/77/98/25/561779825.db2.gz	MGQDMSJZRRHMFT-NFQMXDRXSA-N	0	2	576.558	2.488	1	0		KEAFLN
O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2C3CC[NH+](CC3)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026285451	561779778	/nfs/dbraw/zinc/77/97/78/561779778.db2.gz	MGQDMSJZRRHMFT-HRFSGMKKSA-N	0	2	576.558	2.488	1	0		KEAFLN
O=C1Nc2ccc(S(=O)(=O)N(CCO)CCO)cc2/C1=C/c1cc(Br)c(O)c(Br)c1	ZINC000026377462	561782456	/nfs/dbraw/zinc/78/24/56/561782456.db2.gz	MGNJJVZDJBRXRB-AUWJEWJLSA-N	0	2	562.236	2.385	1	0		KEAFLN
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O	ZINC000026386545	561784620	/nfs/dbraw/zinc/78/46/20/561784620.db2.gz	HORWQXUKLVDULC-FWEHEUNISA-N	0	2	613.696	2.444	1	0		KEAFLN
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O	ZINC000026386545	561784619	/nfs/dbraw/zinc/78/46/19/561784619.db2.gz	HORWQXUKLVDULC-FWEHEUNISA-N	0	2	613.696	2.444	1	0		KEAFLN
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC[N@H+]1C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O	ZINC000026386551	561784597	/nfs/dbraw/zinc/78/45/97/561784597.db2.gz	HORWQXUKLVDULC-WKAQUBQDSA-N	0	2	613.696	2.444	1	0		KEAFLN
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O	ZINC000026386551	561784596	/nfs/dbraw/zinc/78/45/96/561784596.db2.gz	HORWQXUKLVDULC-WKAQUBQDSA-N	0	2	613.696	2.444	1	0		KEAFLN
[NH3+]C[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1	ZINC000026388033	561784956	/nfs/dbraw/zinc/78/49/56/561784956.db2.gz	BPNNZZBLGSVSAA-PFDOBSCMSA-N	0	2	550.520	2.131	1	0		KEAFLN
[NH3+]C[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1	ZINC000026393137	561786301	/nfs/dbraw/zinc/78/63/01/561786301.db2.gz	BPNNZZBLGSVSAA-FIRDEBMASA-N	0	2	550.520	2.131	1	0		KEAFLN
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCN5CCOCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCCCO	ZINC000026576011	561799667	/nfs/dbraw/zinc/79/96/67/561799667.db2.gz	FZKSZNWKGRAAPA-UHFFFAOYSA-N	0	2	715.237	2.425	1	0		KEAFLN
Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026578214	561802984	/nfs/dbraw/zinc/80/29/84/561802984.db2.gz	VQNBVFSWJQHISD-PGRDOPGGSA-N	0	2	559.535	2.438	1	0		KEAFLN
Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026578215	561802874	/nfs/dbraw/zinc/80/28/74/561802874.db2.gz	VQNBVFSWJQHISD-AVRDEDQJSA-N	0	2	559.535	2.438	1	0		KEAFLN
Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000026578216	561802970	/nfs/dbraw/zinc/80/29/70/561802970.db2.gz	VQNBVFSWJQHISD-GCJKJVERSA-N	0	2	559.535	2.438	1	0		KEAFLN
Cn1nnc(-c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O[C@@H]3CCC[C@@H]3NC(=O)c3ccc(O)cc3)cc2O)n1	ZINC000026578269	561802992	/nfs/dbraw/zinc/80/29/92/561802992.db2.gz	SGCYOAAMNDQWOT-PGRDOPGGSA-N	0	2	559.535	2.438	1	0		KEAFLN
Cn1nnc(-c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O[C@H]3CCC[C@@H]3NC(=O)c3ccc(O)cc3)cc2O)n1	ZINC000026578270	561802911	/nfs/dbraw/zinc/80/29/11/561802911.db2.gz	SGCYOAAMNDQWOT-AVRDEDQJSA-N	0	2	559.535	2.438	1	0		KEAFLN
Cn1nnc(-c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O[C@H]3CCC[C@H]3NC(=O)c3ccc(O)cc3)cc2O)n1	ZINC000026578271	561802884	/nfs/dbraw/zinc/80/28/84/561802884.db2.gz	SGCYOAAMNDQWOT-GCJKJVERSA-N	0	2	559.535	2.438	1	0		KEAFLN
O=C(N[C@@H]1CCC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nn[nH]n2)c(O)c1)c1ccc(O)cc1	ZINC000026578888	561803898	/nfs/dbraw/zinc/80/38/98/561803898.db2.gz	DKHPQQRGPHOKBV-UTKZUKDTSA-N	0	2	545.508	2.428	1	0		KEAFLN
O=C(N[C@H]1CCC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nn[nH]n2)c(O)c1)c1ccc(O)cc1	ZINC000026578889	561803893	/nfs/dbraw/zinc/80/38/93/561803893.db2.gz	DKHPQQRGPHOKBV-UWJYYQICSA-N	0	2	545.508	2.428	1	0		KEAFLN
O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nn[nH]n2)c(O)c1)c1ccc(O)cc1	ZINC000026578890	561803947	/nfs/dbraw/zinc/80/39/47/561803947.db2.gz	DKHPQQRGPHOKBV-LAUBAEHRSA-N	0	2	545.508	2.428	1	0		KEAFLN
C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(N)=O)n(C)c4)n(C)c3)n(C)c2)n(C)c1	ZINC000026580322	561805788	/nfs/dbraw/zinc/80/57/88/561805788.db2.gz	YGSDOYKQYSKSJW-UHFFFAOYSA-N	0	2	724.577	2.043	1	0		KEAFLN
O=C([O-])[C@H](CNC(=O)c1cc2cc(OCCCc3c[nH+]c[nH]3)ccc2[nH]1)NS(=O)(=O)c1ccccc1	ZINC000026666045	561811281	/nfs/dbraw/zinc/81/12/81/561811281.db2.gz	PKSKJKCXSFTTPR-QFIPXVFZSA-N	0	2	511.560	2.064	1	0		KEAFLN
O=C([O-])[C@H](CNC(=O)c1cc2cc(OCCCc3c[nH]c[nH+]3)ccc2[nH]1)NS(=O)(=O)c1ccccc1	ZINC000026666045	561811279	/nfs/dbraw/zinc/81/12/79/561811279.db2.gz	PKSKJKCXSFTTPR-QFIPXVFZSA-N	0	2	511.560	2.064	1	0		KEAFLN
CC(=O)NC[C@H]1CN(c2ccc(OC3CN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000027420582	561857582	/nfs/dbraw/zinc/85/75/82/561857582.db2.gz	RFNQUVRLFXHSPF-INIZCTEOSA-N	0	2	569.521	2.437	1	0		KEAFLN
CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(=O)[O-])c(=O)c4cc(F)c(N5CC[NH+](C)CC5)cc43)c(F)c2)C(=O)O1	ZINC000027424190	561858137	/nfs/dbraw/zinc/85/81/37/561858137.db2.gz	RLBOFVSWFWPYFJ-KRWDZBQOSA-N	0	2	555.538	2.180	1	0		KEAFLN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)NS(=O)(=O)Cc1ccccc1	ZINC000027648420	561876259	/nfs/dbraw/zinc/87/62/59/561876259.db2.gz	KBTRCNFERABHSP-QFIPXVFZSA-N	0	2	536.614	2.236	1	0		KEAFLN
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)NS(=O)(=O)Nc1ccccc1	ZINC000027651864	561876689	/nfs/dbraw/zinc/87/66/89/561876689.db2.gz	QALWEPJAOKBUEI-NRFANRHFSA-N	0	2	537.602	2.063	1	0		KEAFLN
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)c1nn[nH]n1	ZINC000027761739	561884071	/nfs/dbraw/zinc/88/40/71/561884071.db2.gz	ATKQOXZZYQSMNJ-CAIZAGQASA-N	0	2	551.595	2.394	1	0		KEAFLN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)=C(O)c1nn[nH]n1	ZINC000027761739	561884068	/nfs/dbraw/zinc/88/40/68/561884068.db2.gz	ATKQOXZZYQSMNJ-CAIZAGQASA-N	0	2	551.595	2.394	1	0		KEAFLN
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+][C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015653	561897269	/nfs/dbraw/zinc/89/72/69/561897269.db2.gz	UWJGMRSBULPUDF-KCHLEUMXSA-N	0	2	625.682	2.420	1	0		KEAFLN
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+][C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015658	561897241	/nfs/dbraw/zinc/89/72/41/561897241.db2.gz	UWJGMRSBULPUDF-HZFUHODCSA-N	0	2	625.682	2.420	1	0		KEAFLN
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+][C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028089700	561899656	/nfs/dbraw/zinc/89/96/56/561899656.db2.gz	UWJGMRSBULPUDF-IARZGTGTSA-N	0	2	625.682	2.420	1	0		KEAFLN
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+][C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028089708	561899649	/nfs/dbraw/zinc/89/96/49/561899649.db2.gz	UWJGMRSBULPUDF-UPRLRBBYSA-N	0	2	625.682	2.420	1	0		KEAFLN
CCCCCC[N@@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135577	561906449	/nfs/dbraw/zinc/90/64/49/561906449.db2.gz	QAFBFHNIUINEJN-NZQKXSOJSA-N	0	2	590.726	2.209	1	0		KEAFLN
CCCCCC[N@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135577	561906448	/nfs/dbraw/zinc/90/64/48/561906448.db2.gz	QAFBFHNIUINEJN-NZQKXSOJSA-N	0	2	590.726	2.209	1	0		KEAFLN
CCCCCC[N@@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135583	561906475	/nfs/dbraw/zinc/90/64/75/561906475.db2.gz	QAFBFHNIUINEJN-REWPJTCUSA-N	0	2	590.726	2.209	1	0		KEAFLN
CCCCCC[N@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135583	561906474	/nfs/dbraw/zinc/90/64/74/561906474.db2.gz	QAFBFHNIUINEJN-REWPJTCUSA-N	0	2	590.726	2.209	1	0		KEAFLN
CCCCCC[N@@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135595	561906460	/nfs/dbraw/zinc/90/64/60/561906460.db2.gz	SFDIMTVHWVLTIP-RBBKRZOGSA-N	0	2	604.753	2.383	1	0		KEAFLN
CCCCCC[N@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135595	561906459	/nfs/dbraw/zinc/90/64/59/561906459.db2.gz	SFDIMTVHWVLTIP-RBBKRZOGSA-N	0	2	604.753	2.383	1	0		KEAFLN
CCCCCC[N@@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135602	561906648	/nfs/dbraw/zinc/90/66/48/561906648.db2.gz	SFDIMTVHWVLTIP-UNMCSNQZSA-N	0	2	604.753	2.383	1	0		KEAFLN
CCCCCC[N@H+](C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028135602	561906646	/nfs/dbraw/zinc/90/66/46/561906646.db2.gz	SFDIMTVHWVLTIP-UNMCSNQZSA-N	0	2	604.753	2.383	1	0		KEAFLN
C[NH+]1CCC([NH2+][C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1	ZINC000028637369	561941557	/nfs/dbraw/zinc/94/15/57/561941557.db2.gz	LFBBKJCTYBFBHU-WNWUTZSISA-N	0	2	677.850	2.223	1	0		KEAFLN
CCOC(=O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CCN(C)CC4)cc3o2)ccc1OC	ZINC000028703026	561947593	/nfs/dbraw/zinc/94/75/93/561947593.db2.gz	YKMWXCJMCHABPL-UHFFFAOYSA-N	0	2	526.542	2.269	1	0		KEAFLN
O=C(CO[C@@H]1C[C@@H](CNc2cccc[nH+]2)N(C(=O)OCc2ccccc2)C1)NC[C@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000028710132	561951018	/nfs/dbraw/zinc/95/10/18/561951018.db2.gz	VFVGVPLUVIXFKU-GVAUOCQISA-N	0	2	575.622	2.289	1	0		KEAFLN
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cccc[nH+]3)N(C(=O)CC(C)(C)C)C2)C(=O)[O-])c(C)c1	ZINC000028710142	561951009	/nfs/dbraw/zinc/95/10/09/561951009.db2.gz	PJJWGMOYKFOUPO-VXNXHJTFSA-N	0	2	617.769	2.389	1	0		KEAFLN
Cc1cc2nc(-c3ccc(O)c(C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@@H](Cc4c[nH]c[nH+]4)C(=O)[O-])c3)[nH]c2cc1C	ZINC000028712825	561953437	/nfs/dbraw/zinc/95/34/37/561953437.db2.gz	YBWUANNVXMYNLG-KYJUHHDHSA-N	0	2	719.759	2.142	1	0		KEAFLN
Cc1cc2nc(-c3ccc(O)c(C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@@H](Cc4c[nH+]c[nH]4)C(=O)[O-])c3)[nH]c2cc1C	ZINC000028712825	561953434	/nfs/dbraw/zinc/95/34/34/561953434.db2.gz	YBWUANNVXMYNLG-KYJUHHDHSA-N	0	2	719.759	2.142	1	0		KEAFLN
O=c1cnn(-c2cc(Cl)c(Sc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(Cl)c2)c(=O)[nH]1	ZINC000028763960	561958956	/nfs/dbraw/zinc/95/89/56/561958956.db2.gz	QLEIHCPSTYHDNY-UHFFFAOYSA-N	0	2	515.400	2.400	1	0		KEAFLN
CC(=O)O[C@H]1[C@@H](O)[C@H](Oc2c(=O)c3ccc(O)cc3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000028875849	561975595	/nfs/dbraw/zinc/97/55/95/561975595.db2.gz	GDHLOBAXWXEUMV-PGEGXBJVSA-N	0	2	500.456	2.219	1	0		KEAFLN
CC(=O)O[C@H]1[C@@H](O)[C@H](Oc2c(O)c3c(=O)cccc-3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000028875854	561975573	/nfs/dbraw/zinc/97/55/73/561975573.db2.gz	IXTZHDNIVVXPSP-PGEGXBJVSA-N	0	2	500.456	2.219	1	0		KEAFLN
Cc1cc(COc2ccc(C(=O)NCC3(N4CCN(C(=O)c5cccnc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028892664	561978422	/nfs/dbraw/zinc/97/84/22/561978422.db2.gz	HLZGHZBDUQUWJL-UHFFFAOYSA-N	0	2	621.654	2.014	1	0		KEAFLN
Cc1cc(COc2ccc(C(=O)NCC3(N4CCN(C(=O)C(C)(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028892671	561978540	/nfs/dbraw/zinc/97/85/40/561978540.db2.gz	VDNQILFFXZGSAK-UHFFFAOYSA-N	0	2	600.676	2.352	1	0		KEAFLN
CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O	ZINC000028892710	561978480	/nfs/dbraw/zinc/97/84/80/561978480.db2.gz	VXTLHKJGOCNUSX-JOCHJYFZSA-N	0	2	515.526	2.275	1	0		KEAFLN
CC(=O)N1C[C@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O	ZINC000028892718	561978513	/nfs/dbraw/zinc/97/85/13/561978513.db2.gz	VXTLHKJGOCNUSX-QFIPXVFZSA-N	0	2	515.526	2.275	1	0		KEAFLN
CC(C)CCn1nc(-c2cncs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O	ZINC000029046173	561992841	/nfs/dbraw/zinc/99/28/41/561992841.db2.gz	WYKRUZIJPIFDKJ-UHFFFAOYSA-N	0	2	538.633	2.051	1	0		KEAFLN
C[C@@H]1COc2c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32	ZINC000029127245	561999635	/nfs/dbraw/zinc/99/96/35/561999635.db2.gz	ZSWQHMVXNGDCLF-VLIAUNLRSA-N	0	2	509.490	2.281	1	0		KEAFLN
C[C@H]1COc2c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32	ZINC000029127246	561999668	/nfs/dbraw/zinc/99/96/68/561999668.db2.gz	ZSWQHMVXNGDCLF-XOBRGWDASA-N	0	2	509.490	2.281	1	0		KEAFLN
C[C@@H]1COc2c(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32	ZINC000029127247	561999670	/nfs/dbraw/zinc/99/96/70/561999670.db2.gz	ZSWQHMVXNGDCLF-JLTOFOAXSA-N	0	2	509.490	2.281	1	0		KEAFLN
C[C@H]1COc2c(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32	ZINC000029127248	561999650	/nfs/dbraw/zinc/99/96/50/561999650.db2.gz	ZSWQHMVXNGDCLF-VBKZILBWSA-N	0	2	509.490	2.281	1	0		KEAFLN
CC(C)c1c(=O)[nH]c(=O)n(COCc2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)c1Cc1ccccc1	ZINC000029127646	562000086	/nfs/dbraw/zinc/00/00/86/562000086.db2.gz	NAWFMHRQWDCFEF-UHFFFAOYSA-N	0	2	519.554	2.431	1	0		KEAFLN
C=CC(=O)O[C@H]1[C@@H]([C@@H](COC(C)=O)OC(=O)CCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)O[C@H]2OC(C)(C)O[C@H]21	ZINC000029133723	562003694	/nfs/dbraw/zinc/00/36/94/562003694.db2.gz	AASIZPQTSMFQSH-VIHKMSGRSA-N	0	2	729.711	2.052	1	0		KEAFLN
C=CC(=O)O[C@H]1[C@@H]([C@H](COC(C)=O)OC(=O)CCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)O[C@H]2OC(C)(C)O[C@H]21	ZINC000029133725	562003687	/nfs/dbraw/zinc/00/36/87/562003687.db2.gz	AASIZPQTSMFQSH-NYTAFURXSA-N	0	2	729.711	2.052	1	0		KEAFLN
C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4c3cccc4N(C)C)[C@H]12	ZINC000029464417	562023852	/nfs/dbraw/zinc/02/38/52/562023852.db2.gz	VSHOGRNAHIXNQF-XVYJZYCRSA-N	0	2	538.670	2.443	1	0		KEAFLN
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1	ZINC000036330723	562055955	/nfs/dbraw/zinc/05/59/55/562055955.db2.gz	AJBQIBQEWMLQEI-ZEQRLZLVSA-N	0	2	540.665	2.441	1	0		KEAFLN
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1	ZINC000036330723	562055954	/nfs/dbraw/zinc/05/59/54/562055954.db2.gz	AJBQIBQEWMLQEI-ZEQRLZLVSA-N	0	2	540.665	2.441	1	0		KEAFLN
CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N)c2)c1-c1ccccc1	ZINC000040876592	562082148	/nfs/dbraw/zinc/08/21/48/562082148.db2.gz	MOZFIGJRXOUTFH-UHFFFAOYSA-N	0	2	513.561	2.049	1	0		KEAFLN
O=S(=O)(N[C@H]1CC12CCN(S(=O)(=O)c1cc3ccccc3n1S(=O)(=O)c1ccccn1)CC2)C(F)(F)F	ZINC000043103644	562645961	/nfs/dbraw/zinc/64/59/61/562645961.db2.gz	KMSXGMMRQVOHME-KRWDZBQOSA-N	0	2	578.616	2.256	1	0		KEAFLN
CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OCCOCCOC	ZINC000044157115	562652510	/nfs/dbraw/zinc/65/25/10/562652510.db2.gz	GZMCTLLORZXGFP-UHFFFAOYSA-N	0	2	560.094	2.146	1	0		KEAFLN
CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CC[N@H+]4CCNC(=O)C4)cc3)ncc2c1=O	ZINC000044306818	562653863	/nfs/dbraw/zinc/65/38/63/562653863.db2.gz	BXLHQIPDVVBUIY-UHFFFAOYSA-N	0	2	553.623	2.279	1	0		KEAFLN
CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CC[N@@H+]4CCNC(=O)C4)cc3)ncc2c1=O	ZINC000044306818	562653862	/nfs/dbraw/zinc/65/38/62/562653862.db2.gz	BXLHQIPDVVBUIY-UHFFFAOYSA-N	0	2	553.623	2.279	1	0		KEAFLN
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)OC(=O)NC2=O	ZINC000045256919	562659943	/nfs/dbraw/zinc/65/99/43/562659943.db2.gz	RQRRFNFMTHCZLJ-IUODEOHRSA-N	0	2	518.439	2.412	1	0		KEAFLN
O=C([O-])C[NH+]1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000045336748	562661375	/nfs/dbraw/zinc/66/13/75/562661375.db2.gz	UTRGFJMADLNFGA-UHFFFAOYSA-N	0	2	506.524	2.366	1	0		KEAFLN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[NH+](CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1	ZINC000049679485	562668861	/nfs/dbraw/zinc/66/88/61/562668861.db2.gz	YYMWYDNBNYHNJD-NDEPHWFRSA-N	0	2	706.845	2.322	1	0		KEAFLN
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[NH+](CC(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049763039	562676835	/nfs/dbraw/zinc/67/68/35/562676835.db2.gz	JPFSFMWIGQXQHP-NDEPHWFRSA-N	0	2	679.819	2.393	1	0		KEAFLN
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1	ZINC000049780351	562681691	/nfs/dbraw/zinc/68/16/91/562681691.db2.gz	ZLWIPOCXVLMIHY-KCHLEUMXSA-N	0	2	599.644	2.492	1	0		KEAFLN
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1	ZINC000049780351	562681690	/nfs/dbraw/zinc/68/16/90/562681690.db2.gz	ZLWIPOCXVLMIHY-KCHLEUMXSA-N	0	2	599.644	2.492	1	0		KEAFLN
CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)S1(=O)=O	ZINC000058583641	562700175	/nfs/dbraw/zinc/70/01/75/562700175.db2.gz	GEJXDKRVWRGMJO-UHFFFAOYSA-N	0	2	572.644	2.087	1	0		KEAFLN
CN1CCN(c2cc(N3CC[NH2+]CC3=O)cn3c(=O)c([O-])c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O	ZINC000058592834	562700725	/nfs/dbraw/zinc/70/07/25/562700725.db2.gz	AXYXCFNSSUABHF-UHFFFAOYSA-N	0	2	549.588	2.062	1	0		KEAFLN
O=C1C[NH2+]CCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12	ZINC000058592836	562700677	/nfs/dbraw/zinc/70/06/77/562700677.db2.gz	UQGYSIIYLFKYCA-UHFFFAOYSA-N	0	2	536.589	2.026	1	0		KEAFLN
O=S(=O)(NCC1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2cccnc2)CC1)C(F)(F)F	ZINC000064514111	562706542	/nfs/dbraw/zinc/70/65/42/562706542.db2.gz	NPTPEVIVPMKOKC-UHFFFAOYSA-N	0	2	566.605	2.113	1	0		KEAFLN
CN(C)c1ncccc1S(=O)(=O)n1c2ccccc2cc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1	ZINC000064514113	562706510	/nfs/dbraw/zinc/70/65/10/562706510.db2.gz	YCYASZYTEOHBPR-UHFFFAOYSA-N	0	2	609.674	2.179	1	0		KEAFLN
O=S(=O)(c1occc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1)c1ccccc1F	ZINC000064526348	562706664	/nfs/dbraw/zinc/70/66/64/562706664.db2.gz	XKKNKIBIQWFHOB-UHFFFAOYSA-N	0	2	534.531	2.091	1	0		KEAFLN
O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CC(CCNS(=O)(=O)C(F)(F)F)C1	ZINC000064526930	562706739	/nfs/dbraw/zinc/70/67/39/562706739.db2.gz	UMXAURUROZGBQN-UHFFFAOYSA-N	0	2	569.580	2.467	1	0		KEAFLN
O=S(=O)(NCC1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccn2)CC1)C(F)(F)F	ZINC000064527070	562706736	/nfs/dbraw/zinc/70/67/36/562706736.db2.gz	JHALBSDIEUJFLE-UHFFFAOYSA-N	0	2	566.605	2.113	1	0		KEAFLN
O=C(NCc1cc(Cl)cc(Cl)c1)c1nc2c(N3CCCS3(=O)=O)cc(N3CCOCC3)cn2c(=O)c1O	ZINC000064540200	562707688	/nfs/dbraw/zinc/70/76/88/562707688.db2.gz	XGVPVFITNZBZQA-UHFFFAOYSA-N	0	2	568.439	2.013	1	0		KEAFLN
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1	ZINC000072108603	562721474	/nfs/dbraw/zinc/72/14/74/562721474.db2.gz	BSIHEYODNDRSAE-LJAQVGFWSA-N	0	2	691.763	2.349	1	0		KEAFLN
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1	ZINC000072108604	562721460	/nfs/dbraw/zinc/72/14/60/562721460.db2.gz	BSIHEYODNDRSAE-GDLZYMKVSA-N	0	2	691.763	2.349	1	0		KEAFLN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1C(=O)[C@H](Cc2ccc(O)cc2)[NH2+]C12CCC(C)CC2)C(=O)[O-]	ZINC000072178595	562732102	/nfs/dbraw/zinc/73/21/02/562732102.db2.gz	DYPPLGIWWDZOIB-JEDQVPDHSA-N	0	2	649.789	2.101	1	0		KEAFLN
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)cc21	ZINC000073138206	562733345	/nfs/dbraw/zinc/73/33/45/562733345.db2.gz	KFXQKJLASZPYEA-UHFFFAOYSA-N	0	2	519.551	2.387	1	0		KEAFLN
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)cc21	ZINC000073138213	562733355	/nfs/dbraw/zinc/73/33/55/562733355.db2.gz	GKDAZSDYBBPOGX-UHFFFAOYSA-N	0	2	519.551	2.387	1	0		KEAFLN
O=C(CNC(=O)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O)NC12CC3CC(CC(C3)C1)C2	ZINC000073140054	562733575	/nfs/dbraw/zinc/73/35/75/562733575.db2.gz	QBDDCUKCEKLYLG-UHFFFAOYSA-N	0	2	541.468	2.295	1	0		KEAFLN
O=C1NC(=O)C(NCc2cn(CCOCCOCCOCCOc3cccnc3F)nn2)(c2ccc(Oc3ccccc3)cc2)C(=O)N1	ZINC000082153983	562740260	/nfs/dbraw/zinc/74/02/60/562740260.db2.gz	LEIFVUOVYOUZFH-UHFFFAOYSA-N	0	2	663.663	2.084	1	0		KEAFLN
CCNC(=O)O[C@H]1[C@@H](O)[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1OC(=O)NCC	ZINC000084596598	562743706	/nfs/dbraw/zinc/74/37/06/562743706.db2.gz	SERSGMCWKITHQQ-NIKYMLFTSA-N	0	2	574.539	2.291	1	0		KEAFLN
CC(=O)CO[C@H]1[C@@H](O)[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1OCC(C)=O	ZINC000084596657	562743777	/nfs/dbraw/zinc/74/37/77/562743777.db2.gz	FQHKVYKQSXUXQF-RFVSBOAQSA-N	0	2	544.509	2.010	1	0		KEAFLN
C[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(=O)N(C)C)[C@H]1OC(=O)N(C)C	ZINC000084619070	562745155	/nfs/dbraw/zinc/74/51/55/562745155.db2.gz	OQELRUCEMNKBEM-NIKYMLFTSA-N	0	2	574.539	2.195	1	0		KEAFLN
COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)NOCCOCCOCCNC(C)=O)[C@@H]3c2ccccc2)cc1	ZINC000084671600	562748663	/nfs/dbraw/zinc/74/86/63/562748663.db2.gz	QQGASLUGJGYHRJ-AMHXOPEZSA-N	0	2	666.724	2.180	1	0		KEAFLN
COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H](C(=O)NOCCOCCOCCNC(C)=O)[C@@H]3c2ccccc2)cc1	ZINC000084671601	562748652	/nfs/dbraw/zinc/74/86/52/562748652.db2.gz	QQGASLUGJGYHRJ-RREUXDAXSA-N	0	2	666.724	2.180	1	0		KEAFLN
COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)NOCCOCCOCCNC(C)=O)[C@H]3c2ccccc2)cc1	ZINC000084671602	562748636	/nfs/dbraw/zinc/74/86/36/562748636.db2.gz	QQGASLUGJGYHRJ-KAGFJJLNSA-N	0	2	666.724	2.180	1	0		KEAFLN
COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H](C(=O)NOCCOCCOCCNC(C)=O)[C@H]3c2ccccc2)cc1	ZINC000084671603	562748648	/nfs/dbraw/zinc/74/86/48/562748648.db2.gz	QQGASLUGJGYHRJ-FWBRVYEGSA-N	0	2	666.724	2.180	1	0		KEAFLN
O=S(=O)(Cc1nnc(CS(=O)(=O)[C@@H]2CNN=C2S(=O)(=O)c2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1	ZINC000084726485	562751336	/nfs/dbraw/zinc/75/13/36/562751336.db2.gz	AUCLEGKRVSYHKE-MRXNPFEDSA-N	0	2	610.548	2.461	1	0		KEAFLN
O=S(=O)(Cc1nnc(CS(=O)(=O)[C@H]2CNN=C2S(=O)(=O)c2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1	ZINC000084726487	562751307	/nfs/dbraw/zinc/75/13/07/562751307.db2.gz	AUCLEGKRVSYHKE-INIZCTEOSA-N	0	2	610.548	2.461	1	0		KEAFLN
C[NH2+]C[NH2+][C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCCCCC[C@H]2CC(Cc3ccncc3)=C[C@H]3C(=O)OC1=C32)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000085507622	565131794	/nfs/dbraw/zinc/13/17/94/565131794.db2.gz	WWEZCFXVQZQUOC-QJJBCJIQSA-N	0	2	671.817	2.139	1	0	biogenic,in-vitro	KEAFLN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(=O)[O-]	ZINC000095539612	562755167	/nfs/dbraw/zinc/75/51/67/562755167.db2.gz	ALVONKJSVBZOQC-FWEHEUNISA-N	0	2	713.862	2.253	1	0		KEAFLN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(=O)[O-]	ZINC000095539612	562755166	/nfs/dbraw/zinc/75/51/66/562755166.db2.gz	ALVONKJSVBZOQC-FWEHEUNISA-N	0	2	713.862	2.253	1	0		KEAFLN
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc54)nc(N4CCOCC4)c3s2)CC1	ZINC000095552117	562760600	/nfs/dbraw/zinc/76/06/00/562760600.db2.gz	WNXNOFZKYRTQSA-UHFFFAOYSA-N	0	2	520.663	2.453	1	0		KEAFLN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@H](CO)O5)CC[C@@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	ZINC000095552230	562760581	/nfs/dbraw/zinc/76/05/81/562760581.db2.gz	AKLLRAXIPUOBRB-QGRFUWROSA-N	0	2	520.663	2.458	1	0		KEAFLN
COc1ncc(Nc2ncc([C@H](N3CCN(S(C)(=O)=O)CC3)C(F)(F)F)cc2-c2nc(C)nc(N)n2)cc1F	ZINC000095552962	562760827	/nfs/dbraw/zinc/76/08/27/562760827.db2.gz	BTHPXDNRFHNRDI-KRWDZBQOSA-N	0	2	571.561	2.291	1	0		KEAFLN
COc1ccccc1Oc1c(NS(C)(=O)=O)nc(-c2ncccn2)nc1OCCOc1ncccn1	ZINC000095557490	562762121	/nfs/dbraw/zinc/76/21/21/562762121.db2.gz	SNBHOBPELVBJFV-UHFFFAOYSA-N	0	2	511.520	2.354	1	0		KEAFLN
CCC[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O	ZINC000095583844	562773042	/nfs/dbraw/zinc/77/30/42/562773042.db2.gz	LYPFUSXIPAESSO-JRQRPHQWSA-N	0	2	502.472	2.134	1	0		KEAFLN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](CC(C)C)C(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000095607812	562783132	/nfs/dbraw/zinc/78/31/32/562783132.db2.gz	GCFLCRJGOHZHEC-WRRKRXPISA-N	0	2	803.958	2.424	1	0		KEAFLN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](CC(C)C)C(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000095607812	562783131	/nfs/dbraw/zinc/78/31/31/562783131.db2.gz	GCFLCRJGOHZHEC-WRRKRXPISA-N	0	2	803.958	2.424	1	0		KEAFLN
CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)N(C)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1	ZINC000095612783	562785810	/nfs/dbraw/zinc/78/58/10/562785810.db2.gz	PNVUAOLRXMKYFL-FAXIYBTFSA-N	0	2	817.985	2.461	1	0		KEAFLN
CCC[C@@H](C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](C)CC)C(=O)[O-]	ZINC000095613301	562786197	/nfs/dbraw/zinc/78/61/97/562786197.db2.gz	IITMMSBFCWYUDQ-AHFGPNKOSA-N	0	2	789.931	2.178	1	0		KEAFLN
CCC[C@@H](C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](C)CC)C(=O)[O-]	ZINC000095613301	562786196	/nfs/dbraw/zinc/78/61/96/562786196.db2.gz	IITMMSBFCWYUDQ-AHFGPNKOSA-N	0	2	789.931	2.178	1	0		KEAFLN
CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(C)S(C)(=O)=O)c[nH+]1	ZINC000096273503	562794518	/nfs/dbraw/zinc/79/45/18/562794518.db2.gz	DFGIRJIXSZXHRL-IBGZPJMESA-N	0	2	534.639	2.421	1	0		KEAFLN
O=C([O-])c1ccccc1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000096902500	562797463	/nfs/dbraw/zinc/79/74/63/562797463.db2.gz	KPJDEGAKXAUVAC-NZQKXSOJSA-N	0	2	534.521	2.440	1	0		KEAFLN
CN1CCN(S(=O)(=O)c2c(F)ccc(Nc3c(=O)c(=O)c3Nc3ccccc3Br)c2O)CC1	ZINC000101100383	562809223	/nfs/dbraw/zinc/80/92/23/562809223.db2.gz	FSNXGAYHCPDLEK-UHFFFAOYSA-N	0	2	539.383	2.313	1	0		KEAFLN
O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)C(F)(F)F	ZINC000101311403	562810280	/nfs/dbraw/zinc/81/02/80/562810280.db2.gz	FZVAALMGLAJSHE-PBKGOJFUSA-N	0	2	562.972	2.370	1	0		KEAFLN
O=S(=O)(NC[C@@H]1[C@H]2CN(S(=O)(=O)c3cc4ccccc4n3S(=O)(=O)c3ccccc3F)C[C@H]21)C(F)(F)F	ZINC000101370662	562810421	/nfs/dbraw/zinc/81/04/21/562810421.db2.gz	VMYJRISWJUXHKT-PHZGNYQRSA-N	0	2	581.591	2.323	1	0		KEAFLN
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)C[NH+]4CCN(c5ccccn5)CC4)CC3)c(F)cc2c1=O	ZINC000103231189	562818253	/nfs/dbraw/zinc/81/82/53/562818253.db2.gz	KQGJYNGABFMCEN-UHFFFAOYSA-N	0	2	534.592	2.040	1	0		KEAFLN
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)C[NH+]4CCN(c5cccc(O)c5)CC4)CC3)c(F)cc2c1=O	ZINC000103231197	562818231	/nfs/dbraw/zinc/81/82/31/562818231.db2.gz	UPJLRGVOERIBNC-UHFFFAOYSA-N	0	2	549.603	2.350	1	0		KEAFLN
CN(CC(=O)[O-])c1cc[nH+]c2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1	ZINC000103233875	562818522	/nfs/dbraw/zinc/81/85/22/562818522.db2.gz	JRJGTRFONPWMJF-UHFFFAOYSA-N	0	2	525.993	2.369	1	0		KEAFLN
Cc1cccc(Nc2nc(SC(=S)NN3CCOCC3)nc(SC(=S)NN3CCOCC3)n2)c1	ZINC000103289929	562824102	/nfs/dbraw/zinc/82/41/02/562824102.db2.gz	TZJWMZASOAWVIS-UHFFFAOYSA-N	0	2	538.750	2.351	1	0		KEAFLN
COCCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000143940116	562835458	/nfs/dbraw/zinc/83/54/58/562835458.db2.gz	KNGLGAZMIADZGF-QHCPKHFHSA-N	0	2	617.681	2.419	1	0		KEAFLN
COCCS(=O)(=O)[C@@H](C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000143940116	562835457	/nfs/dbraw/zinc/83/54/57/562835457.db2.gz	KNGLGAZMIADZGF-QHCPKHFHSA-N	0	2	617.681	2.419	1	0		KEAFLN
COCCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000143940341	562835438	/nfs/dbraw/zinc/83/54/38/562835438.db2.gz	KNGLGAZMIADZGF-HSZRJFAPSA-N	0	2	617.681	2.419	1	0		KEAFLN
COCCS(=O)(=O)[C@H](C(=O)NCc1nnc(C)o1)c1nc2cc(F)c(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000143940341	562835437	/nfs/dbraw/zinc/83/54/37/562835437.db2.gz	KNGLGAZMIADZGF-HSZRJFAPSA-N	0	2	617.681	2.419	1	0		KEAFLN
Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(C(=O)N5CC(C)(O)C5)cc4)cc3s2)S(C)(=O)=O)o1	ZINC000143956231	562835512	/nfs/dbraw/zinc/83/55/12/562835512.db2.gz	OOXFADORJOOMMO-NRFANRHFSA-N	0	2	555.638	2.264	1	0		KEAFLN
Cc1nnc(CNC(=O)[C@@H](c2nc3ccc(-c4ccc(C(=O)N5CC(C)(O)C5)cc4)cc3s2)S(C)(=O)=O)o1	ZINC000143956231	562835511	/nfs/dbraw/zinc/83/55/11/562835511.db2.gz	OOXFADORJOOMMO-NRFANRHFSA-N	0	2	555.638	2.264	1	0		KEAFLN
Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(C(=O)N5CC(C)(O)C5)cc4)cc3s2)S(C)(=O)=O)o1	ZINC000143956427	562835495	/nfs/dbraw/zinc/83/54/95/562835495.db2.gz	OOXFADORJOOMMO-OAQYLSRUSA-N	0	2	555.638	2.264	1	0		KEAFLN
Cc1nnc(CNC(=O)[C@H](c2nc3ccc(-c4ccc(C(=O)N5CC(C)(O)C5)cc4)cc3s2)S(C)(=O)=O)o1	ZINC000143956427	562835494	/nfs/dbraw/zinc/83/54/94/562835494.db2.gz	OOXFADORJOOMMO-OAQYLSRUSA-N	0	2	555.638	2.264	1	0		KEAFLN
C[C@H]1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC5CC5)sc4c3)cc2)CCO1	ZINC000143962554	562835518	/nfs/dbraw/zinc/83/55/18/562835518.db2.gz	DTFGNAMGLLXARH-BXKMTCNYSA-N	0	2	620.775	2.095	1	0		KEAFLN
C[C@H]1CN(C(=O)c2ccc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC5CC5)sc4c3)cc2)CCO1	ZINC000143962554	562835517	/nfs/dbraw/zinc/83/55/17/562835517.db2.gz	DTFGNAMGLLXARH-BXKMTCNYSA-N	0	2	620.775	2.095	1	0		KEAFLN
C[C@H]1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC5CC5)sc4c3)cc2)CCO1	ZINC000143962762	562835489	/nfs/dbraw/zinc/83/54/89/562835489.db2.gz	DTFGNAMGLLXARH-XDHUDOTRSA-N	0	2	620.775	2.095	1	0		KEAFLN
C[C@H]1CN(C(=O)c2ccc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC5CC5)sc4c3)cc2)CCO1	ZINC000143962762	562835488	/nfs/dbraw/zinc/83/54/88/562835488.db2.gz	DTFGNAMGLLXARH-XDHUDOTRSA-N	0	2	620.775	2.095	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2s1	ZINC000143964249	562835491	/nfs/dbraw/zinc/83/54/91/562835491.db2.gz	MVWHDASRQBFZJI-INIZCTEOSA-N	0	2	537.563	2.352	1	0		KEAFLN
CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2s1	ZINC000143964249	562835490	/nfs/dbraw/zinc/83/54/90/562835490.db2.gz	MVWHDASRQBFZJI-INIZCTEOSA-N	0	2	537.563	2.352	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2s1	ZINC000143964442	562835499	/nfs/dbraw/zinc/83/54/99/562835499.db2.gz	MVWHDASRQBFZJI-MRXNPFEDSA-N	0	2	537.563	2.352	1	0		KEAFLN
CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2s1	ZINC000143964442	562835498	/nfs/dbraw/zinc/83/54/98/562835498.db2.gz	MVWHDASRQBFZJI-MRXNPFEDSA-N	0	2	537.563	2.352	1	0		KEAFLN
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)sc2cc1-c1ccc(F)nc1	ZINC000143973896	562835522	/nfs/dbraw/zinc/83/55/22/562835522.db2.gz	TUXWLELNODCFBV-SFHVURJKSA-N	0	2	514.626	2.075	1	0		KEAFLN
Cc1cc2nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)sc2cc1-c1ccc(F)nc1	ZINC000143973896	562835521	/nfs/dbraw/zinc/83/55/21/562835521.db2.gz	TUXWLELNODCFBV-SFHVURJKSA-N	0	2	514.626	2.075	1	0		KEAFLN
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)sc2cc1-c1ccc(F)nc1	ZINC000143974087	562835541	/nfs/dbraw/zinc/83/55/41/562835541.db2.gz	TUXWLELNODCFBV-GOSISDBHSA-N	0	2	514.626	2.075	1	0		KEAFLN
Cc1cc2nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)sc2cc1-c1ccc(F)nc1	ZINC000143974087	562835540	/nfs/dbraw/zinc/83/55/40/562835540.db2.gz	TUXWLELNODCFBV-GOSISDBHSA-N	0	2	514.626	2.075	1	0		KEAFLN
CC(C)(C)OC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1	ZINC000143976763	562835543	/nfs/dbraw/zinc/83/55/43/562835543.db2.gz	WHLFFBKJWAGVSK-LJQANCHMSA-N	0	2	553.684	2.409	1	0		KEAFLN
CC(C)(C)OC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1	ZINC000143976763	562835542	/nfs/dbraw/zinc/83/55/42/562835542.db2.gz	WHLFFBKJWAGVSK-LJQANCHMSA-N	0	2	553.684	2.409	1	0		KEAFLN
CC(C)(C)OC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1	ZINC000143976969	562835539	/nfs/dbraw/zinc/83/55/39/562835539.db2.gz	WHLFFBKJWAGVSK-IBGZPJMESA-N	0	2	553.684	2.409	1	0		KEAFLN
CC(C)(C)OC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1	ZINC000143976969	562835538	/nfs/dbraw/zinc/83/55/38/562835538.db2.gz	WHLFFBKJWAGVSK-IBGZPJMESA-N	0	2	553.684	2.409	1	0		KEAFLN
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC(C)C)sc2cc1-c1ccc(F)nc1	ZINC000144000376	562835626	/nfs/dbraw/zinc/83/56/26/562835626.db2.gz	IOCVILQYPMGSGK-IBGZPJMESA-N	0	2	528.653	2.322	1	0		KEAFLN
Cc1cc2nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC(C)C)sc2cc1-c1ccc(F)nc1	ZINC000144000376	562835625	/nfs/dbraw/zinc/83/56/25/562835625.db2.gz	IOCVILQYPMGSGK-IBGZPJMESA-N	0	2	528.653	2.322	1	0		KEAFLN
Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC(C)C)sc2cc1-c1ccc(F)nc1	ZINC000144000568	562835591	/nfs/dbraw/zinc/83/55/91/562835591.db2.gz	IOCVILQYPMGSGK-LJQANCHMSA-N	0	2	528.653	2.322	1	0		KEAFLN
Cc1cc2nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC(C)C)sc2cc1-c1ccc(F)nc1	ZINC000144000568	562835590	/nfs/dbraw/zinc/83/55/90/562835590.db2.gz	IOCVILQYPMGSGK-LJQANCHMSA-N	0	2	528.653	2.322	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000144027768	562835652	/nfs/dbraw/zinc/83/56/52/562835652.db2.gz	UTMKTLKUDMRNFJ-INIZCTEOSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000144027768	562835651	/nfs/dbraw/zinc/83/56/51/562835651.db2.gz	UTMKTLKUDMRNFJ-INIZCTEOSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000144027979	562835647	/nfs/dbraw/zinc/83/56/47/562835647.db2.gz	UTMKTLKUDMRNFJ-MRXNPFEDSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000144027979	562835646	/nfs/dbraw/zinc/83/56/46/562835646.db2.gz	UTMKTLKUDMRNFJ-MRXNPFEDSA-N	0	2	554.569	2.310	1	0		KEAFLN
CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cn2)CC1	ZINC000144053864	562835711	/nfs/dbraw/zinc/83/57/11/562835711.db2.gz	GLBYMDHGXZTTFK-OAQYLSRUSA-N	0	2	626.783	2.222	1	0		KEAFLN
CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cn2)CC1	ZINC000144053864	562835710	/nfs/dbraw/zinc/83/57/10/562835710.db2.gz	GLBYMDHGXZTTFK-OAQYLSRUSA-N	0	2	626.783	2.222	1	0		KEAFLN
CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cn2)CC1	ZINC000144054069	562835746	/nfs/dbraw/zinc/83/57/46/562835746.db2.gz	GLBYMDHGXZTTFK-NRFANRHFSA-N	0	2	626.783	2.222	1	0		KEAFLN
CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cn2)CC1	ZINC000144054069	562835745	/nfs/dbraw/zinc/83/57/45/562835745.db2.gz	GLBYMDHGXZTTFK-NRFANRHFSA-N	0	2	626.783	2.222	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(OC(F)F)c3)cc2s1	ZINC000144058989	562835699	/nfs/dbraw/zinc/83/56/99/562835699.db2.gz	WPSIMTSHVSWYSP-INIZCTEOSA-N	0	2	519.573	2.055	1	0		KEAFLN
CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(OC(F)F)c3)cc2s1	ZINC000144058989	562835698	/nfs/dbraw/zinc/83/56/98/562835698.db2.gz	WPSIMTSHVSWYSP-INIZCTEOSA-N	0	2	519.573	2.055	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(OC(F)F)c3)cc2s1	ZINC000144059188	562835723	/nfs/dbraw/zinc/83/57/23/562835723.db2.gz	WPSIMTSHVSWYSP-MRXNPFEDSA-N	0	2	519.573	2.055	1	0		KEAFLN
CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(OC(F)F)c3)cc2s1	ZINC000144059188	562835722	/nfs/dbraw/zinc/83/57/22/562835722.db2.gz	WPSIMTSHVSWYSP-MRXNPFEDSA-N	0	2	519.573	2.055	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1F	ZINC000144059424	562835707	/nfs/dbraw/zinc/83/57/07/562835707.db2.gz	WIEPITQSANAWCG-HSZRJFAPSA-N	0	2	626.754	2.091	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1F	ZINC000144059424	562835706	/nfs/dbraw/zinc/83/57/06/562835706.db2.gz	WIEPITQSANAWCG-HSZRJFAPSA-N	0	2	626.754	2.091	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1F	ZINC000144059663	562835737	/nfs/dbraw/zinc/83/57/37/562835737.db2.gz	WIEPITQSANAWCG-QHCPKHFHSA-N	0	2	626.754	2.091	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1F	ZINC000144059663	562835736	/nfs/dbraw/zinc/83/57/36/562835736.db2.gz	WIEPITQSANAWCG-QHCPKHFHSA-N	0	2	626.754	2.091	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2s1	ZINC000144076989	562835735	/nfs/dbraw/zinc/83/57/35/562835735.db2.gz	DYBKIMANGLPLBW-INIZCTEOSA-N	0	2	506.002	2.246	1	0		KEAFLN
CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2s1	ZINC000144076989	562835734	/nfs/dbraw/zinc/83/57/34/562835734.db2.gz	DYBKIMANGLPLBW-INIZCTEOSA-N	0	2	506.002	2.246	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2s1	ZINC000144077185	562835717	/nfs/dbraw/zinc/83/57/17/562835717.db2.gz	DYBKIMANGLPLBW-MRXNPFEDSA-N	0	2	506.002	2.246	1	0		KEAFLN
CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2s1	ZINC000144077185	562835716	/nfs/dbraw/zinc/83/57/16/562835716.db2.gz	DYBKIMANGLPLBW-MRXNPFEDSA-N	0	2	506.002	2.246	1	0		KEAFLN
COC(C)(C)CNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144083882	562835721	/nfs/dbraw/zinc/83/57/21/562835721.db2.gz	QUCFZGMALXUQTD-HSZRJFAPSA-N	0	2	622.791	2.389	1	0		KEAFLN
COC(C)(C)CNC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144083882	562835720	/nfs/dbraw/zinc/83/57/20/562835720.db2.gz	QUCFZGMALXUQTD-HSZRJFAPSA-N	0	2	622.791	2.389	1	0		KEAFLN
COC(C)(C)CNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144084104	562835703	/nfs/dbraw/zinc/83/57/03/562835703.db2.gz	QUCFZGMALXUQTD-QHCPKHFHSA-N	0	2	622.791	2.389	1	0		KEAFLN
COC(C)(C)CNC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144084104	562835702	/nfs/dbraw/zinc/83/57/02/562835702.db2.gz	QUCFZGMALXUQTD-QHCPKHFHSA-N	0	2	622.791	2.389	1	0		KEAFLN
COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144190455	562835808	/nfs/dbraw/zinc/83/58/08/562835808.db2.gz	NWYBJAKJEASFLL-HSZRJFAPSA-N	0	2	622.791	2.389	1	0		KEAFLN
COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144190455	562835807	/nfs/dbraw/zinc/83/58/07/562835807.db2.gz	NWYBJAKJEASFLL-HSZRJFAPSA-N	0	2	622.791	2.389	1	0		KEAFLN
COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144190671	562835880	/nfs/dbraw/zinc/83/58/80/562835880.db2.gz	NWYBJAKJEASFLL-QHCPKHFHSA-N	0	2	622.791	2.389	1	0		KEAFLN
COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000144190671	562835879	/nfs/dbraw/zinc/83/58/79/562835879.db2.gz	NWYBJAKJEASFLL-QHCPKHFHSA-N	0	2	622.791	2.389	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145452749	562837055	/nfs/dbraw/zinc/83/70/55/562837055.db2.gz	PRVIAPOAKSBOFG-INIZCTEOSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145452749	562837054	/nfs/dbraw/zinc/83/70/54/562837054.db2.gz	PRVIAPOAKSBOFG-INIZCTEOSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145452931	562837078	/nfs/dbraw/zinc/83/70/78/562837078.db2.gz	PRVIAPOAKSBOFG-MRXNPFEDSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145452931	562837077	/nfs/dbraw/zinc/83/70/77/562837077.db2.gz	PRVIAPOAKSBOFG-MRXNPFEDSA-N	0	2	554.569	2.310	1	0		KEAFLN
CC1CCN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cc2)CC1	ZINC000145464303	562837096	/nfs/dbraw/zinc/83/70/96/562837096.db2.gz	ZKKXUZUQAFHMJJ-JOCHJYFZSA-N	0	2	578.738	2.326	1	0		KEAFLN
CC1CCN(C(=O)c2ccc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cc2)CC1	ZINC000145464303	562837095	/nfs/dbraw/zinc/83/70/95/562837095.db2.gz	ZKKXUZUQAFHMJJ-JOCHJYFZSA-N	0	2	578.738	2.326	1	0		KEAFLN
CC1CCN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cc2)CC1	ZINC000145464481	562837133	/nfs/dbraw/zinc/83/71/33/562837133.db2.gz	ZKKXUZUQAFHMJJ-QFIPXVFZSA-N	0	2	578.738	2.326	1	0		KEAFLN
CC1CCN(C(=O)c2ccc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc4c3)cc2)CC1	ZINC000145464481	562837132	/nfs/dbraw/zinc/83/71/32/562837132.db2.gz	ZKKXUZUQAFHMJJ-QFIPXVFZSA-N	0	2	578.738	2.326	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2s1	ZINC000145467159	562837121	/nfs/dbraw/zinc/83/71/21/562837121.db2.gz	XDYYGEHARABTCA-FQEVSTJZSA-N	0	2	522.674	2.054	1	0		KEAFLN
CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2s1	ZINC000145467159	562837120	/nfs/dbraw/zinc/83/71/20/562837120.db2.gz	XDYYGEHARABTCA-FQEVSTJZSA-N	0	2	522.674	2.054	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2s1	ZINC000145467313	562837094	/nfs/dbraw/zinc/83/70/94/562837094.db2.gz	XDYYGEHARABTCA-HXUWFJFHSA-N	0	2	522.674	2.054	1	0		KEAFLN
CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2s1	ZINC000145467313	562837093	/nfs/dbraw/zinc/83/70/93/562837093.db2.gz	XDYYGEHARABTCA-HXUWFJFHSA-N	0	2	522.674	2.054	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2s1	ZINC000145485516	562837181	/nfs/dbraw/zinc/83/71/81/562837181.db2.gz	FHWZGSZVLCUYGM-FQEVSTJZSA-N	0	2	600.691	2.325	1	0		KEAFLN
CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2s1	ZINC000145485516	562837180	/nfs/dbraw/zinc/83/71/80/562837180.db2.gz	FHWZGSZVLCUYGM-FQEVSTJZSA-N	0	2	600.691	2.325	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2s1	ZINC000145485732	562837164	/nfs/dbraw/zinc/83/71/64/562837164.db2.gz	FHWZGSZVLCUYGM-HXUWFJFHSA-N	0	2	600.691	2.325	1	0		KEAFLN
CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc2s1	ZINC000145485732	562837163	/nfs/dbraw/zinc/83/71/63/562837163.db2.gz	FHWZGSZVLCUYGM-HXUWFJFHSA-N	0	2	600.691	2.325	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145488568	562837154	/nfs/dbraw/zinc/83/71/54/562837154.db2.gz	KWLOXDMNTZUJNV-FQEVSTJZSA-N	0	2	618.681	2.308	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145488568	562837153	/nfs/dbraw/zinc/83/71/53/562837153.db2.gz	KWLOXDMNTZUJNV-FQEVSTJZSA-N	0	2	618.681	2.308	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145488758	562837158	/nfs/dbraw/zinc/83/71/58/562837158.db2.gz	KWLOXDMNTZUJNV-HXUWFJFHSA-N	0	2	618.681	2.308	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145488758	562837157	/nfs/dbraw/zinc/83/71/57/562837157.db2.gz	KWLOXDMNTZUJNV-HXUWFJFHSA-N	0	2	618.681	2.308	1	0		KEAFLN
CC(C)(C)OC(=O)n1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1	ZINC000145492679	562837152	/nfs/dbraw/zinc/83/71/52/562837152.db2.gz	ZKPNHKHZTFEJHJ-QGZVFWFLSA-N	0	2	542.661	2.038	1	0		KEAFLN
CC(C)(C)OC(=O)n1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1	ZINC000145492679	562837151	/nfs/dbraw/zinc/83/71/51/562837151.db2.gz	ZKPNHKHZTFEJHJ-QGZVFWFLSA-N	0	2	542.661	2.038	1	0		KEAFLN
CC(C)(C)OC(=O)n1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1	ZINC000145492872	562837177	/nfs/dbraw/zinc/83/71/77/562837177.db2.gz	ZKPNHKHZTFEJHJ-KRWDZBQOSA-N	0	2	542.661	2.038	1	0		KEAFLN
CC(C)(C)OC(=O)n1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1	ZINC000145492872	562837176	/nfs/dbraw/zinc/83/71/76/562837176.db2.gz	ZKPNHKHZTFEJHJ-KRWDZBQOSA-N	0	2	542.661	2.038	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-c4ncco4)cc3)cc2s1	ZINC000145495577	562837190	/nfs/dbraw/zinc/83/71/90/562837190.db2.gz	PWOPBKNXGNYRTF-SFHVURJKSA-N	0	2	520.614	2.109	1	0		KEAFLN
CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-c4ncco4)cc3)cc2s1	ZINC000145495577	562837189	/nfs/dbraw/zinc/83/71/89/562837189.db2.gz	PWOPBKNXGNYRTF-SFHVURJKSA-N	0	2	520.614	2.109	1	0		KEAFLN
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-c4ncco4)cc3)cc2s1	ZINC000145495773	562837186	/nfs/dbraw/zinc/83/71/86/562837186.db2.gz	PWOPBKNXGNYRTF-GOSISDBHSA-N	0	2	520.614	2.109	1	0		KEAFLN
CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-c4ncco4)cc3)cc2s1	ZINC000145495773	562837185	/nfs/dbraw/zinc/83/71/85/562837185.db2.gz	PWOPBKNXGNYRTF-GOSISDBHSA-N	0	2	520.614	2.109	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)sc3c2)cc1	ZINC000145505068	562837227	/nfs/dbraw/zinc/83/72/27/562837227.db2.gz	JIIOOUOXUBDEOJ-HSZRJFAPSA-N	0	2	587.680	2.450	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)sc3c2)cc1	ZINC000145505068	562837226	/nfs/dbraw/zinc/83/72/26/562837226.db2.gz	JIIOOUOXUBDEOJ-HSZRJFAPSA-N	0	2	587.680	2.450	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)sc3c2)cc1	ZINC000145505245	562837213	/nfs/dbraw/zinc/83/72/13/562837213.db2.gz	JIIOOUOXUBDEOJ-QHCPKHFHSA-N	0	2	587.680	2.450	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)sc3c2)cc1	ZINC000145505245	562837212	/nfs/dbraw/zinc/83/72/12/562837212.db2.gz	JIIOOUOXUBDEOJ-QHCPKHFHSA-N	0	2	587.680	2.450	1	0		KEAFLN
COCCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000145506748	562837222	/nfs/dbraw/zinc/83/72/22/562837222.db2.gz	OIBQCUYNFNBXEL-QHCPKHFHSA-N	0	2	599.691	2.280	1	0		KEAFLN
COCCS(=O)(=O)[C@@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000145506748	562837221	/nfs/dbraw/zinc/83/72/21/562837221.db2.gz	OIBQCUYNFNBXEL-QHCPKHFHSA-N	0	2	599.691	2.280	1	0		KEAFLN
COCCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000145506922	562837244	/nfs/dbraw/zinc/83/72/44/562837244.db2.gz	OIBQCUYNFNBXEL-HSZRJFAPSA-N	0	2	599.691	2.280	1	0		KEAFLN
COCCS(=O)(=O)[C@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(C(=O)N4CC(C)(O)C4)cc3)cc2s1	ZINC000145506922	562837243	/nfs/dbraw/zinc/83/72/43/562837243.db2.gz	OIBQCUYNFNBXEL-HSZRJFAPSA-N	0	2	599.691	2.280	1	0		KEAFLN
COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000145512409	562837280	/nfs/dbraw/zinc/83/72/80/562837280.db2.gz	MPVPKFGZIJJMOU-OAQYLSRUSA-N	0	2	537.685	2.380	1	0		KEAFLN
COCc1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000145512409	562837279	/nfs/dbraw/zinc/83/72/79/562837279.db2.gz	MPVPKFGZIJJMOU-OAQYLSRUSA-N	0	2	537.685	2.380	1	0		KEAFLN
COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000145512616	562837294	/nfs/dbraw/zinc/83/72/94/562837294.db2.gz	MPVPKFGZIJJMOU-NRFANRHFSA-N	0	2	537.685	2.380	1	0		KEAFLN
COCc1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1	ZINC000145512616	562837293	/nfs/dbraw/zinc/83/72/93/562837293.db2.gz	MPVPKFGZIJJMOU-NRFANRHFSA-N	0	2	537.685	2.380	1	0		KEAFLN
CN(C)C(=O)c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000145526755	562837315	/nfs/dbraw/zinc/83/73/15/562837315.db2.gz	YPOVZWREBFTTAN-LJQANCHMSA-N	0	2	606.670	2.478	1	0		KEAFLN
CN(C)C(=O)c1cccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000145526755	562837314	/nfs/dbraw/zinc/83/73/14/562837314.db2.gz	YPOVZWREBFTTAN-LJQANCHMSA-N	0	2	606.670	2.478	1	0		KEAFLN
CN(C)C(=O)c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000145526935	562837340	/nfs/dbraw/zinc/83/73/40/562837340.db2.gz	YPOVZWREBFTTAN-IBGZPJMESA-N	0	2	606.670	2.478	1	0		KEAFLN
CN(C)C(=O)c1cccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000145526935	562837339	/nfs/dbraw/zinc/83/73/39/562837339.db2.gz	YPOVZWREBFTTAN-IBGZPJMESA-N	0	2	606.670	2.478	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145528338	562837342	/nfs/dbraw/zinc/83/73/42/562837342.db2.gz	RVXKMVONXPQBCS-HNNXBMFYSA-N	0	2	570.568	2.016	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145528338	562837341	/nfs/dbraw/zinc/83/73/41/562837341.db2.gz	RVXKMVONXPQBCS-HNNXBMFYSA-N	0	2	570.568	2.016	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145528542	562837325	/nfs/dbraw/zinc/83/73/25/562837325.db2.gz	RVXKMVONXPQBCS-OAHLLOKOSA-N	0	2	570.568	2.016	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000145528542	562837324	/nfs/dbraw/zinc/83/73/24/562837324.db2.gz	RVXKMVONXPQBCS-OAHLLOKOSA-N	0	2	570.568	2.016	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146071783	562838137	/nfs/dbraw/zinc/83/81/37/562838137.db2.gz	KXPIDDHTUZUMKV-INIZCTEOSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146071783	562838136	/nfs/dbraw/zinc/83/81/36/562838136.db2.gz	KXPIDDHTUZUMKV-INIZCTEOSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146071976	562838141	/nfs/dbraw/zinc/83/81/41/562838141.db2.gz	KXPIDDHTUZUMKV-MRXNPFEDSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146071976	562838140	/nfs/dbraw/zinc/83/81/40/562838140.db2.gz	KXPIDDHTUZUMKV-MRXNPFEDSA-N	0	2	554.569	2.310	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146082823	562838237	/nfs/dbraw/zinc/83/82/37/562838237.db2.gz	HDHBLHGNGJWQPO-IBGZPJMESA-N	0	2	579.644	2.311	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146082823	562838236	/nfs/dbraw/zinc/83/82/36/562838236.db2.gz	HDHBLHGNGJWQPO-IBGZPJMESA-N	0	2	579.644	2.311	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146083030	562838233	/nfs/dbraw/zinc/83/82/33/562838233.db2.gz	HDHBLHGNGJWQPO-LJQANCHMSA-N	0	2	579.644	2.311	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000146083030	562838232	/nfs/dbraw/zinc/83/82/32/562838232.db2.gz	HDHBLHGNGJWQPO-LJQANCHMSA-N	0	2	579.644	2.311	1	0		KEAFLN
COCCn1cc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cn1	ZINC000146084703	562838279	/nfs/dbraw/zinc/83/82/79/562838279.db2.gz	GDIFPWPVJITNBT-JOCHJYFZSA-N	0	2	595.700	2.006	1	0		KEAFLN
COCCn1cc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cn1	ZINC000146084703	562838278	/nfs/dbraw/zinc/83/82/78/562838278.db2.gz	GDIFPWPVJITNBT-JOCHJYFZSA-N	0	2	595.700	2.006	1	0		KEAFLN
COCCn1cc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cn1	ZINC000146084912	562838286	/nfs/dbraw/zinc/83/82/86/562838286.db2.gz	GDIFPWPVJITNBT-QFIPXVFZSA-N	0	2	595.700	2.006	1	0		KEAFLN
COCCn1cc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cn1	ZINC000146084912	562838285	/nfs/dbraw/zinc/83/82/85/562838285.db2.gz	GDIFPWPVJITNBT-QFIPXVFZSA-N	0	2	595.700	2.006	1	0		KEAFLN
COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000149138142	562842192	/nfs/dbraw/zinc/84/21/92/562842192.db2.gz	LVTNDIZKMBWHIH-QGZVFWFLSA-N	0	2	506.606	2.236	1	0		KEAFLN
COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000149138350	562842224	/nfs/dbraw/zinc/84/22/24/562842224.db2.gz	LVTNDIZKMBWHIH-KRWDZBQOSA-N	0	2	506.606	2.236	1	0		KEAFLN
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)CNC(=O)OCc4ccccc4)CC3)cc21	ZINC000169309687	562854449	/nfs/dbraw/zinc/85/44/49/562854449.db2.gz	CCVIJVKTRMVLLN-UHFFFAOYSA-N	0	2	510.522	2.434	1	0		KEAFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](CCOC4=C(c5ccccc5)C(=O)OC4)CC3)nc21	ZINC000169330492	562858697	/nfs/dbraw/zinc/85/86/97/562858697.db2.gz	PSAFTIZXJQUPOZ-UHFFFAOYSA-N	0	2	522.533	2.360	1	0		KEAFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](CCOC4=C(c5ccccc5F)C(=O)OC4)CC3)nc21	ZINC000169331360	562858980	/nfs/dbraw/zinc/85/89/80/562858980.db2.gz	ZTWPIVGECIASSX-UHFFFAOYSA-N	0	2	540.523	2.500	1	0		KEAFLN
CC[NH2+][C@H]1CN(c2nc(Nc3nc(SC)cc(-c4ccc(OC)c(OC)c4)n3)nc(N3CCO[C@@H]([NH2+]CC)C3)n2)CCO1	ZINC000169356675	562863860	/nfs/dbraw/zinc/86/38/60/562863860.db2.gz	CTFVKSUPXZTCPH-DHIUTWEWSA-N	0	2	612.761	2.356	1	0		KEAFLN
C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)COC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F	ZINC000169710379	562870646	/nfs/dbraw/zinc/87/06/46/562870646.db2.gz	YQTVGZGNIPYMTJ-SECBINFHSA-N	0	2	545.856	2.495	1	0		KEAFLN
CS(=O)(=O)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000220502059	562878532	/nfs/dbraw/zinc/87/85/32/562878532.db2.gz	WNFCUPXGQFWQKT-UHFFFAOYSA-N	0	2	509.631	2.109	1	0		KEAFLN
CCS(=O)(=O)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000220542383	562878593	/nfs/dbraw/zinc/87/85/93/562878593.db2.gz	WBGHSDWJCPLMNU-UHFFFAOYSA-N	0	2	523.658	2.499	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221945613	562879361	/nfs/dbraw/zinc/87/93/61/562879361.db2.gz	IVLAPWFGGGQTLL-OAQYLSRUSA-N	0	2	648.707	2.249	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221945613	562879360	/nfs/dbraw/zinc/87/93/60/562879360.db2.gz	IVLAPWFGGGQTLL-OAQYLSRUSA-N	0	2	648.707	2.249	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221945672	562879402	/nfs/dbraw/zinc/87/94/02/562879402.db2.gz	IVLAPWFGGGQTLL-NRFANRHFSA-N	0	2	648.707	2.249	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221945672	562879401	/nfs/dbraw/zinc/87/94/01/562879401.db2.gz	IVLAPWFGGGQTLL-NRFANRHFSA-N	0	2	648.707	2.249	1	0		KEAFLN
CC(C)(O)Cn1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1=O	ZINC000221945851	562879397	/nfs/dbraw/zinc/87/93/97/562879397.db2.gz	RMBXBMQDOWGFSB-XMMPIXPASA-N	0	2	636.749	2.096	1	0		KEAFLN
CC(C)(O)Cn1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1=O	ZINC000221945851	562879396	/nfs/dbraw/zinc/87/93/96/562879396.db2.gz	RMBXBMQDOWGFSB-XMMPIXPASA-N	0	2	636.749	2.096	1	0		KEAFLN
CC(C)(O)Cn1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1=O	ZINC000221945913	562879368	/nfs/dbraw/zinc/87/93/68/562879368.db2.gz	RMBXBMQDOWGFSB-DEOSSOPVSA-N	0	2	636.749	2.096	1	0		KEAFLN
CC(C)(O)Cn1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1=O	ZINC000221945913	562879367	/nfs/dbraw/zinc/87/93/67/562879367.db2.gz	RMBXBMQDOWGFSB-DEOSSOPVSA-N	0	2	636.749	2.096	1	0		KEAFLN
COCCNC(=O)c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000221946576	562879388	/nfs/dbraw/zinc/87/93/88/562879388.db2.gz	OTSFQXVGCCJAPK-HXUWFJFHSA-N	0	2	636.696	2.153	1	0		KEAFLN
COCCNC(=O)c1cccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000221946576	562879387	/nfs/dbraw/zinc/87/93/87/562879387.db2.gz	OTSFQXVGCCJAPK-HXUWFJFHSA-N	0	2	636.696	2.153	1	0		KEAFLN
COCCNC(=O)c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000221946633	562879395	/nfs/dbraw/zinc/87/93/95/562879395.db2.gz	OTSFQXVGCCJAPK-FQEVSTJZSA-N	0	2	636.696	2.153	1	0		KEAFLN
COCCNC(=O)c1cccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000221946633	562879394	/nfs/dbraw/zinc/87/93/94/562879394.db2.gz	OTSFQXVGCCJAPK-FQEVSTJZSA-N	0	2	636.696	2.153	1	0		KEAFLN
COC1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1	ZINC000221962786	562879436	/nfs/dbraw/zinc/87/94/36/562879436.db2.gz	RFFPFSBLDJLETF-OAQYLSRUSA-N	0	2	648.707	2.247	1	0		KEAFLN
COC1CN(C(=O)c2ccc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1	ZINC000221962786	562879435	/nfs/dbraw/zinc/87/94/35/562879435.db2.gz	RFFPFSBLDJLETF-OAQYLSRUSA-N	0	2	648.707	2.247	1	0		KEAFLN
COC1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1	ZINC000221962847	562879438	/nfs/dbraw/zinc/87/94/38/562879438.db2.gz	RFFPFSBLDJLETF-NRFANRHFSA-N	0	2	648.707	2.247	1	0		KEAFLN
COC1CN(C(=O)c2ccc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1	ZINC000221962847	562879437	/nfs/dbraw/zinc/87/94/37/562879437.db2.gz	RFFPFSBLDJLETF-NRFANRHFSA-N	0	2	648.707	2.247	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CCC(O)CC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221975583	562879421	/nfs/dbraw/zinc/87/94/21/562879421.db2.gz	XDPSJFCZCTUSSD-JOCHJYFZSA-N	0	2	662.734	2.373	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cccc(C(=O)N4CCC(O)CC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221975583	562879420	/nfs/dbraw/zinc/87/94/20/562879420.db2.gz	XDPSJFCZCTUSSD-JOCHJYFZSA-N	0	2	662.734	2.373	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CCC(O)CC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221975639	562879423	/nfs/dbraw/zinc/87/94/23/562879423.db2.gz	XDPSJFCZCTUSSD-QFIPXVFZSA-N	0	2	662.734	2.373	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cccc(C(=O)N4CCC(O)CC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F	ZINC000221975639	562879422	/nfs/dbraw/zinc/87/94/22/562879422.db2.gz	XDPSJFCZCTUSSD-QFIPXVFZSA-N	0	2	662.734	2.373	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000221985048	562879468	/nfs/dbraw/zinc/87/94/68/562879468.db2.gz	MMCNLAUQPWJOBG-HXUWFJFHSA-N	0	2	636.696	2.153	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000221985048	562879467	/nfs/dbraw/zinc/87/94/67/562879467.db2.gz	MMCNLAUQPWJOBG-HXUWFJFHSA-N	0	2	636.696	2.153	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000221985104	562879472	/nfs/dbraw/zinc/87/94/72/562879472.db2.gz	MMCNLAUQPWJOBG-FQEVSTJZSA-N	0	2	636.696	2.153	1	0		KEAFLN
COCCNC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000221985104	562879471	/nfs/dbraw/zinc/87/94/71/562879471.db2.gz	MMCNLAUQPWJOBG-FQEVSTJZSA-N	0	2	636.696	2.153	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccccc1	ZINC000222075512	562879513	/nfs/dbraw/zinc/87/95/13/562879513.db2.gz	SDOSETWDOLQLRT-AREMUKBSSA-N	0	2	642.781	2.497	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccccc1	ZINC000222075512	562879512	/nfs/dbraw/zinc/87/95/12/562879512.db2.gz	SDOSETWDOLQLRT-AREMUKBSSA-N	0	2	642.781	2.497	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccccc1	ZINC000222075566	562879562	/nfs/dbraw/zinc/87/95/62/562879562.db2.gz	SDOSETWDOLQLRT-SANMLTNESA-N	0	2	642.781	2.497	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccccc1	ZINC000222075566	562879561	/nfs/dbraw/zinc/87/95/61/562879561.db2.gz	SDOSETWDOLQLRT-SANMLTNESA-N	0	2	642.781	2.497	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000222078283	562879572	/nfs/dbraw/zinc/87/95/72/562879572.db2.gz	BEDQKCSBPPCGBZ-OAQYLSRUSA-N	0	2	650.723	2.495	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000222078283	562879571	/nfs/dbraw/zinc/87/95/71/562879571.db2.gz	BEDQKCSBPPCGBZ-OAQYLSRUSA-N	0	2	650.723	2.495	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000222078328	562879582	/nfs/dbraw/zinc/87/95/82/562879582.db2.gz	BEDQKCSBPPCGBZ-NRFANRHFSA-N	0	2	650.723	2.495	1	0		KEAFLN
COCCN(C)C(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1	ZINC000222078328	562879581	/nfs/dbraw/zinc/87/95/81/562879581.db2.gz	BEDQKCSBPPCGBZ-NRFANRHFSA-N	0	2	650.723	2.495	1	0		KEAFLN
CC(C)(O)CNC(=O)c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000222116835	562879624	/nfs/dbraw/zinc/87/96/24/562879624.db2.gz	FIVYDMDTIKKVQN-HXUWFJFHSA-N	0	2	650.723	2.277	1	0		KEAFLN
CC(C)(O)CNC(=O)c1cccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000222116835	562879623	/nfs/dbraw/zinc/87/96/23/562879623.db2.gz	FIVYDMDTIKKVQN-HXUWFJFHSA-N	0	2	650.723	2.277	1	0		KEAFLN
CC(C)(O)CNC(=O)c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000222116890	562879653	/nfs/dbraw/zinc/87/96/53/562879653.db2.gz	FIVYDMDTIKKVQN-FQEVSTJZSA-N	0	2	650.723	2.277	1	0		KEAFLN
CC(C)(O)CNC(=O)c1cccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)c1	ZINC000222116890	562879652	/nfs/dbraw/zinc/87/96/52/562879652.db2.gz	FIVYDMDTIKKVQN-FQEVSTJZSA-N	0	2	650.723	2.277	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)CCNC(=O)OCc1ccccc1	ZINC000222119642	562879721	/nfs/dbraw/zinc/87/97/21/562879721.db2.gz	QXJCBRGNMNUUPU-MUUNZHRXSA-N	0	2	729.859	2.223	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)CCNC(=O)OCc1ccccc1	ZINC000222119642	562879720	/nfs/dbraw/zinc/87/97/20/562879720.db2.gz	QXJCBRGNMNUUPU-MUUNZHRXSA-N	0	2	729.859	2.223	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)CCNC(=O)OCc1ccccc1	ZINC000222119704	562879686	/nfs/dbraw/zinc/87/96/86/562879686.db2.gz	QXJCBRGNMNUUPU-NDEPHWFRSA-N	0	2	729.859	2.223	1	0		KEAFLN
NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)CCNC(=O)OCc1ccccc1	ZINC000222119704	562879685	/nfs/dbraw/zinc/87/96/85/562879685.db2.gz	QXJCBRGNMNUUPU-NDEPHWFRSA-N	0	2	729.859	2.223	1	0		KEAFLN
CC1(C[S@](=O)CCOC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)COC1	ZINC000299827670	562884172	/nfs/dbraw/zinc/88/41/72/562884172.db2.gz	GWWFCIDKNKKBIQ-DIPNUNPCSA-N	0	2	535.594	2.218	1	0		KEAFLN
CC1(C[S@@](=O)CCOC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)COC1	ZINC000299827674	562884176	/nfs/dbraw/zinc/88/41/76/562884176.db2.gz	GWWFCIDKNKKBIQ-QNGWXLTQSA-N	0	2	535.594	2.218	1	0		KEAFLN
CN(CC(=O)N(Cc1[nH+]ccn1C)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000299830272	562885205	/nfs/dbraw/zinc/88/52/05/562885205.db2.gz	IFFIQHTWOMAEGW-UHFFFAOYSA-N	0	2	548.446	2.373	1	0		KEAFLN
[NH3+][C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)CO[P@](=O)([O-])O	ZINC000299835169	562886766	/nfs/dbraw/zinc/88/67/66/562886766.db2.gz	KSGWFNFXGXWCGV-CQSZACIVSA-N	0	2	547.908	2.183	1	0		KEAFLN
[NH3+][C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)CO[P@@](=O)([O-])O	ZINC000299835169	562886765	/nfs/dbraw/zinc/88/67/65/562886765.db2.gz	KSGWFNFXGXWCGV-CQSZACIVSA-N	0	2	547.908	2.183	1	0		KEAFLN
CC(=O)O[C@H]1CC[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(C)=O	ZINC000299837498	562887511	/nfs/dbraw/zinc/88/75/11/562887511.db2.gz	OTPCQHIGGWABCT-CVOKININSA-N	0	2	500.456	2.342	1	0		KEAFLN
CC(=O)O[C@@H]1CC[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@@H](O)[C@H]1OC(C)=O	ZINC000299837499	562887507	/nfs/dbraw/zinc/88/75/07/562887507.db2.gz	OTPCQHIGGWABCT-WQNDALKBSA-N	0	2	500.456	2.342	1	0		KEAFLN
CCn1cc(C(=O)NCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(=O)c2ccc(C)nc21	ZINC000473088478	562897315	/nfs/dbraw/zinc/89/73/15/562897315.db2.gz	OGTZJWZIRPPZGJ-UHFFFAOYSA-N	0	2	602.623	2.291	1	0		KEAFLN
COc1ncc(-c2ccc3nc(=NC(=O)NCC[NH+]4CCCC4)[n-]n3c2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000473108012	562898369	/nfs/dbraw/zinc/89/83/69/562898369.db2.gz	KZBQWFCDLBEVOS-UHFFFAOYSA-N	0	2	554.608	2.379	1	0		KEAFLN
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)CCNC(=O)c4cn(CC)c5nc(C)ccc5c4=O)CC3)cc21	ZINC000473129470	562900006	/nfs/dbraw/zinc/90/00/06/562900006.db2.gz	HAEJTBXJYSOSMP-UHFFFAOYSA-N	0	2	604.639	2.366	1	0		KEAFLN
COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)NC(CO)CO)c2)cn1	ZINC000473129760	562900060	/nfs/dbraw/zinc/90/00/60/562900060.db2.gz	IMIPCVCEURKASE-UHFFFAOYSA-N	0	2	584.680	2.413	1	0		KEAFLN
CCn1cc(C(=O)NCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(=O)c2cc3c(cc21)OCO3	ZINC000473130100	562900049	/nfs/dbraw/zinc/90/00/49/562900049.db2.gz	JNCBVGIGTGCYQU-UHFFFAOYSA-N	0	2	631.617	2.316	1	0		KEAFLN
CCn1cc(C(=O)NCCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)c(=O)c2cc3c(cc21)OCO3	ZINC000473132440	562900269	/nfs/dbraw/zinc/90/02/69/562900269.db2.gz	SLZFNBLWFUFMPO-UHFFFAOYSA-N	0	2	633.633	2.391	1	0		KEAFLN
CCn1cc(C(=O)NCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)c(=O)c2cc3c(cc21)OCO3	ZINC000473133385	562900421	/nfs/dbraw/zinc/90/04/21/562900421.db2.gz	ZFRYYVLELBWVPS-UHFFFAOYSA-N	0	2	619.606	2.001	1	0		KEAFLN
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(=O)C[NH3+])C[C@@H]4C[C@H](OC(=O)C[NH3+])CC[C@]4(C)[C@H]3C[C@H](OC(=O)C[NH3+])[C@]12C	ZINC000473135357	562900725	/nfs/dbraw/zinc/90/07/25/562900725.db2.gz	HROWWHFJCLDRMK-XKPZVJNFSA-N	0	2	593.762	2.066	1	0		KEAFLN
CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(ONC(=O)OCc2ccccc2)nc3N)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000653732550	562909499	/nfs/dbraw/zinc/90/94/99/562909499.db2.gz	YSVZIAZYJDCMNZ-LKAJROCDSA-N	0	2	701.630	2.383	1	0		KEAFLN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(ONC(=O)OCc2ccccc2)nc3N)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000653732551	562909515	/nfs/dbraw/zinc/90/95/15/562909515.db2.gz	YSVZIAZYJDCMNZ-ZWEBMLMXSA-N	0	2	701.630	2.383	1	0		KEAFLN
Cn1ccnc1SC[C@@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000653794145	562912886	/nfs/dbraw/zinc/91/28/86/562912886.db2.gz	YYSYFSTVJGIXSU-INIZCTEOSA-N	0	2	501.584	2.182	1	0		KEAFLN
Cn1ccnc1SC[C@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000653794146	562912911	/nfs/dbraw/zinc/91/29/11/562912911.db2.gz	YYSYFSTVJGIXSU-MRXNPFEDSA-N	0	2	501.584	2.182	1	0		KEAFLN
Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)O2	ZINC000066138755	562713372	/nfs/dbraw/zinc/71/33/72/562713372.db2.gz	JJFGFRSFZAQBOH-WJONJSRFSA-N	0	2	551.666	2.362	3	0		KEAFLN
C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O	ZINC000066166027	562713992	/nfs/dbraw/zinc/71/39/92/562713992.db2.gz	SKFNKOOUFKEYRH-OSWQYVSFSA-N	0	2	585.683	2.271	3	0		KEAFLN
C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O	ZINC000066166027	562713991	/nfs/dbraw/zinc/71/39/91/562713991.db2.gz	SKFNKOOUFKEYRH-OSWQYVSFSA-N	0	2	585.683	2.271	3	0		KEAFLN
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O	ZINC000095567644	562765983	/nfs/dbraw/zinc/76/59/83/562765983.db2.gz	RRZJXJUOENDSJX-RRQZXNHTSA-N	0	2	640.184	2.344	3	0		KEAFLN
O=S1(=O)C[C@H](N2CCN(Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1	ZINC000095570432	562768245	/nfs/dbraw/zinc/76/82/45/562768245.db2.gz	ZUCPPEULGHBPMT-HSZRJFAPSA-N	0	2	519.046	2.451	3	0		KEAFLN
O=S1(=O)C[C@@H](N2CCN(Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1	ZINC000095570433	562768211	/nfs/dbraw/zinc/76/82/11/562768211.db2.gz	ZUCPPEULGHBPMT-QHCPKHFHSA-N	0	2	519.046	2.451	3	0		KEAFLN