smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000003831641	561683377	/nfs/dbraw/zinc/68/33/77/561683377.db2.gz	QRBIRSCLEVEODD-BDTNDASRSA-N	1	3	549.701	2.049	1	0	in-vivo	KEAFHO
N[C@H](CCCC[NH3+])C(=O)N1CCN(c2nc3nc(NCc4ccccc4)c(Cl)nc3c(N3CCCC3)n2)CC1	ZINC000006041260	561702323	/nfs/dbraw/zinc/70/23/23/561702323.db2.gz	JQJVTGFOYVLQQW-HXUWFJFHSA-N	1	3	553.115	2.390	1	0		KEAFHO
O=C(CCN1CCC(O)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCC(O)CC3)ccc1-2	ZINC000013557235	561718891	/nfs/dbraw/zinc/71/88/91/561718891.db2.gz	NWMPOQQXQBDYEU-UHFFFAOYSA-N	1	3	520.630	2.469	1	0		KEAFHO
CNC1(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c2nc3ccccc3s2)CCCCC1	ZINC000013612352	561722070	/nfs/dbraw/zinc/72/20/70/561722070.db2.gz	PGNYFNNGKFDODI-OALUTQOASA-N	1	3	527.695	2.140	1	0		KEAFHO
CN[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C(C)C	ZINC000014954515	561747023	/nfs/dbraw/zinc/74/70/23/561747023.db2.gz	KRHCNQAFUSINQB-XJUOHMSHSA-N	1	3	551.717	2.199	1	0		KEAFHO
CN[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C(C)C	ZINC000014954519	561746970	/nfs/dbraw/zinc/74/69/70/561746970.db2.gz	KRHCNQAFUSINQB-XPNTWCBSSA-N	1	3	551.717	2.199	1	0		KEAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954540	561746966	/nfs/dbraw/zinc/74/69/66/561746966.db2.gz	VZDIVDYMIVRVBJ-ZRBLBEILSA-N	1	3	563.728	2.439	1	0		KEAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(F)cc2s1	ZINC000014954713	561747178	/nfs/dbraw/zinc/74/71/78/561747178.db2.gz	AHPOLLQLTFYHDQ-BDTNDASRSA-N	1	3	567.691	2.188	1	0		KEAFHO
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C1=O	ZINC000026572171	561798263	/nfs/dbraw/zinc/79/82/63/561798263.db2.gz	GZTQTNKCARBIQC-KWBMWPQYSA-N	1	3	659.832	2.059	1	0		KEAFHO
NCc1cccc(C(=O)N[C@H](Cc2cccc3ccccc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(N)=O)c1	ZINC000026815582	561820131	/nfs/dbraw/zinc/82/01/31/561820131.db2.gz	NSHUDUCYBQGIIE-OWHBQTKESA-N	1	3	622.770	2.466	1	0		KEAFHO
NCc1cccc(C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(N)=O)c1	ZINC000026815587	561820128	/nfs/dbraw/zinc/82/01/28/561820128.db2.gz	NSHUDUCYBQGIIE-CPCREDONSA-N	1	3	622.770	2.466	1	0		KEAFHO
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[NH2+]1	ZINC000028220713	561907328	/nfs/dbraw/zinc/90/73/28/561907328.db2.gz	GXIDPNDXYSCSAI-OYUWMTPXSA-N	1	3	557.699	2.357	1	0		KEAFHO
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[NH2+]1	ZINC000028220720	561907257	/nfs/dbraw/zinc/90/72/57/561907257.db2.gz	GXIDPNDXYSCSAI-ZONZVBGPSA-N	1	3	557.699	2.357	1	0		KEAFHO
C[C@H](c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1)N1CCN(C)CC1	ZINC000028396694	561923175	/nfs/dbraw/zinc/92/31/75/561923175.db2.gz	VYQGKUHPQRKBNX-ATIYNZHBSA-N	1	3	541.140	2.373	1	0		KEAFHO
C[C@@H](c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1)N1CCN(C)CC1	ZINC000028396699	561923180	/nfs/dbraw/zinc/92/31/80/561923180.db2.gz	VYQGKUHPQRKBNX-BKMJKUGQSA-N	1	3	541.140	2.373	1	0		KEAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000029125244	561997363	/nfs/dbraw/zinc/99/73/63/561997363.db2.gz	QIVIRMCXSHIRPU-UETOGOEVSA-N	1	3	563.728	2.439	1	0		KEAFHO
[NH3+]CCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000029307542	562011825	/nfs/dbraw/zinc/01/18/25/562011825.db2.gz	YUBVMRWUYHONDP-ZQUSMLRHSA-N	1	3	650.776	2.373	1	0		KEAFHO
NCc1cccc(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(N)=O)c1	ZINC000029568796	562035032	/nfs/dbraw/zinc/03/50/32/562035032.db2.gz	GHCBAJHMFBZCQZ-DCMFLLSESA-N	1	3	622.770	2.466	1	0		KEAFHO
NCc1ccccc1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000029571062	562035687	/nfs/dbraw/zinc/03/56/87/562035687.db2.gz	UHAMGMVNJHTCIQ-DCMFLLSESA-N	1	3	622.770	2.466	1	0		KEAFHO
COC[C@H](C)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036284873	562053448	/nfs/dbraw/zinc/05/34/48/562053448.db2.gz	MXVGTUIMFVMYEF-FDDCHVKYSA-N	1	3	551.519	2.238	1	0		KEAFHO
COC[C@@H](C)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	ZINC000036284877	562053494	/nfs/dbraw/zinc/05/34/94/562053494.db2.gz	MXVGTUIMFVMYEF-WZONZLPQSA-N	1	3	551.519	2.238	1	0		KEAFHO
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH3+]	ZINC000039205347	562072895	/nfs/dbraw/zinc/07/28/95/562072895.db2.gz	KQHWCFZCUNTTCW-VEGWMBEDSA-N	1	3	505.663	2.233	1	0	in-vitro	KEAFHO
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[NH3+]	ZINC000049695474	562670597	/nfs/dbraw/zinc/67/05/97/562670597.db2.gz	CTTRVUXCBAGJKN-VEGWMBEDSA-N	1	3	505.663	2.103	1	0		KEAFHO
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH3+]	ZINC000049695583	562670776	/nfs/dbraw/zinc/67/07/76/562670776.db2.gz	NTMBSFPXIRJHSX-HOIWYFOJSA-N	1	3	519.690	2.493	1	0		KEAFHO
CC[NH2+]C[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@H]1NC(=O)[C@@H](N)CC	ZINC000049710321	562671651	/nfs/dbraw/zinc/67/16/51/562671651.db2.gz	DXHHOMHJRYFCHK-HOIWYFOJSA-N	1	3	519.690	2.493	1	0		KEAFHO
COc1cc2c(cc1OCCCN1CCOCC1)nc(N1CCCN(C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058569076	562699549	/nfs/dbraw/zinc/69/95/49/562699549.db2.gz	WUGAIKUDKBPNMJ-UHFFFAOYSA-N	1	3	527.714	2.388	1	0		KEAFHO
COc1ccc(C[C@H](N)C(=O)N2C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc3ccc4ccccc4c3)C2)cc1	ZINC000072117172	562723424	/nfs/dbraw/zinc/72/34/24/562723424.db2.gz	FFZXEVKBNFMVKP-NLDZOOGBSA-N	1	3	559.711	2.007	1	0		KEAFHO
N[C@@H](CCc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1	ZINC000072118335	562723509	/nfs/dbraw/zinc/72/35/09/562723509.db2.gz	PEPWDAGYXVKRRT-NLDZOOGBSA-N	1	3	559.711	2.094	1	0		KEAFHO
N[C@@H](CCc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1	ZINC000072118796	562723655	/nfs/dbraw/zinc/72/36/55/562723655.db2.gz	WDDOHCNRJKTMFK-NLDZOOGBSA-N	1	3	543.712	2.388	1	0		KEAFHO
N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000072142555	562729553	/nfs/dbraw/zinc/72/95/53/562729553.db2.gz	PVPALHLVZQDFRS-PFBJBMPXSA-N	1	3	571.726	2.198	1	0		KEAFHO
N[C@@H](CCCC[NH3+])C(=O)N1CCN(c2nc3nc(NCc4ccccc4)c(Cl)nc3c(N3CCCC3)n2)CC1	ZINC000073371045	562738446	/nfs/dbraw/zinc/73/84/46/562738446.db2.gz	JQJVTGFOYVLQQW-FQEVSTJZSA-N	1	3	553.115	2.390	1	0		KEAFHO
CC(C)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O)N(C)C	ZINC000084670859	562748398	/nfs/dbraw/zinc/74/83/98/562748398.db2.gz	ZLLXFXKKMDXGIZ-ZZTWKDBPSA-N	1	3	717.956	2.322	1	0		KEAFHO
CC(C)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)[NH+](C)C)C(N)=O)N(C)C	ZINC000084670859	562748397	/nfs/dbraw/zinc/74/83/97/562748397.db2.gz	ZLLXFXKKMDXGIZ-ZZTWKDBPSA-N	1	3	717.956	2.322	1	0		KEAFHO
CNC[C@H](NC)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1	ZINC000085596746	565156120	/nfs/dbraw/zinc/15/61/20/565156120.db2.gz	KOFSUFRMSBCISJ-ZUPNAIMFSA-N	1	3	621.816	2.220	1	0	biogenic,in-vitro	KEAFHO
CNC[C@H](NC)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CC[C@H](C)O)CC[C@H](O)CCCO)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1	ZINC000085596756	565155902	/nfs/dbraw/zinc/15/59/02/565155902.db2.gz	CUVFIMPOJVZRRF-JVQDXTLDSA-N	1	3	653.858	2.045	1	0	biogenic,in-vitro	KEAFHO
CNC[C@H](NC)C(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1	ZINC000085596764	291742653	/nfs/dbraw/zinc/74/26/53/291742653.db2.gz	SDJDCSBDAYWJKS-FDBNHUNCSA-N	1	3	563.736	2.222	1	0	biogenic,in-vitro	KEAFHO
COc1cc(CC[C@H](C[C@@H](O)[C@@H]2CC[C@@H]3CN4C[C@H]5C[C@H](CN(C5)C[NH+]=C(N)NC[C@H]3C2)C4)OC(C)=O)ccc1O	ZINC000085628313	560068759	/nfs/dbraw/zinc/06/87/59/560068759.db2.gz	MOHMIBXSFQGSPM-BLPQFLIYSA-N	1	3	571.763	2.387	1	0	biogenic,in-vitro	KEAFHO
COc1cc(CC[C@H](C[C@@H](O)CC[C@H]2CCN3C[C@H]4C[C@@H](C3)CN(C4)C[NH+]=C(N)NC2)OC(C)=O)ccc1O	ZINC000085639221	560067512	/nfs/dbraw/zinc/06/75/12/560067512.db2.gz	BWURNWBZXUTJSW-HEXNFIEUSA-N	1	3	545.725	2.141	1	0	biogenic,in-vitro	KEAFHO
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1	ZINC000095593581	562776298	/nfs/dbraw/zinc/77/62/98/562776298.db2.gz	VGPDGESAAIVXNO-QPPIDDCLSA-N	1	3	822.005	2.334	1	0		KEAFHO
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CC3)CCC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1	ZINC000095594779	562776553	/nfs/dbraw/zinc/77/65/53/562776553.db2.gz	MUPOOEYBTKHNTC-QPPIDDCLSA-N	1	3	822.005	2.334	1	0		KEAFHO
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1	ZINC000095596485	562776983	/nfs/dbraw/zinc/77/69/83/562776983.db2.gz	DOEPKHLCEFPBEX-QPPIDDCLSA-N	1	3	822.005	2.334	1	0		KEAFHO
CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)[NH2+]C)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1	ZINC000095597784	562777299	/nfs/dbraw/zinc/77/72/99/562777299.db2.gz	WQLHYSFOEZZZDD-QAPMSZJWSA-N	1	3	605.727	2.235	1	0	in-vitro	KEAFHO
NC(=[NH2+])N1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000096299285	562796173	/nfs/dbraw/zinc/79/61/73/562796173.db2.gz	SJJIMQDQSSJWDN-RUCLRZJRSA-N	1	3	649.748	2.308	1	0		KEAFHO
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000096941682	562805022	/nfs/dbraw/zinc/80/50/22/562805022.db2.gz	IHZHXWXPFPRICT-XGKFQTDJSA-N	1	3	628.818	2.132	1	0		KEAFHO
CC[C@H]([NH2+]C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1	ZINC000098208138	562805978	/nfs/dbraw/zinc/80/59/78/562805978.db2.gz	MPXBKLQSQUXEDB-DPURIWRLSA-N	1	3	539.721	2.365	1	0	in-vitro	KEAFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4CCCCC4)C[C@]32[C@H](C)CC1	ZINC000103524591	560051236	/nfs/dbraw/zinc/05/12/36/560051236.db2.gz	JVUKQSKFTDIBFG-ISCDSABESA-N	1	3	573.779	2.045	1	0	biogenic,in-vitro	KEAFHO
[NH3+][C@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149151641	562842240	/nfs/dbraw/zinc/84/22/40/562842240.db2.gz	RAACSHYFBZCXSM-PSIJGNRBSA-N	1	3	564.618	2.404	1	0		KEAFHO
[NH3+][C@@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149153864	562842270	/nfs/dbraw/zinc/84/22/70/562842270.db2.gz	RAACSHYFBZCXSM-AUHLQLFFSA-N	1	3	564.618	2.404	1	0		KEAFHO
[NH3+][C@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149243959	562842564	/nfs/dbraw/zinc/84/25/64/562842564.db2.gz	RAACSHYFBZCXSM-NZFVVWBWSA-N	1	3	564.618	2.404	1	0		KEAFHO
[NH3+][C@@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	ZINC000149349219	562842634	/nfs/dbraw/zinc/84/26/34/562842634.db2.gz	RAACSHYFBZCXSM-LDMUXNMWSA-N	1	3	564.618	2.404	1	0		KEAFHO
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NCCO)[C@@H]1O)[C@@H]32	ZINC000169330924	562858825	/nfs/dbraw/zinc/85/88/25/562858825.db2.gz	AJUBQFITBGMEDN-ICJOCJBCSA-N	1	3	797.994	2.356	1	0		KEAFHO
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NCCO)[C@@H]1O)[C@@H]32	ZINC000169330924	562858824	/nfs/dbraw/zinc/85/88/24/562858824.db2.gz	AJUBQFITBGMEDN-ICJOCJBCSA-N	1	3	797.994	2.356	1	0		KEAFHO
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5	ZINC000221211275	562878860	/nfs/dbraw/zinc/87/88/60/562878860.db2.gz	RIFJSRCAHFYBAU-WNOCNRGZSA-N	1	3	533.673	2.026	1	0		KEAFHO
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5	ZINC000221211275	562878859	/nfs/dbraw/zinc/87/88/59/562878859.db2.gz	RIFJSRCAHFYBAU-WNOCNRGZSA-N	1	3	533.673	2.026	1	0		KEAFHO
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5	ZINC000221211275	562878858	/nfs/dbraw/zinc/87/88/58/562878858.db2.gz	RIFJSRCAHFYBAU-WNOCNRGZSA-N	1	3	533.673	2.026	1	0		KEAFHO
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5	ZINC000221211275	562878857	/nfs/dbraw/zinc/87/88/57/562878857.db2.gz	RIFJSRCAHFYBAU-WNOCNRGZSA-N	1	3	533.673	2.026	1	0		KEAFHO
CN1CCN(CCCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]34)CC1	ZINC000474604645	562905296	/nfs/dbraw/zinc/90/52/96/562905296.db2.gz	DKZVZCLTGLJNBN-FDBFMKMFSA-N	1	3	552.807	2.371	1	0		KEAFHO
CN1CCN(CCCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]34)CC1	ZINC000474604645	562905295	/nfs/dbraw/zinc/90/52/95/562905295.db2.gz	DKZVZCLTGLJNBN-FDBFMKMFSA-N	1	3	552.807	2.371	1	0		KEAFHO
CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CCN(C)CC2)cc1	ZINC000653882884	562916886	/nfs/dbraw/zinc/91/68/86/562916886.db2.gz	RZAPXYCGYWBHRY-AWCRTANDSA-N	1	3	666.893	2.353	1	0		KEAFHO
CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CCN(C)CC2)cc1	ZINC000653882885	562916888	/nfs/dbraw/zinc/91/68/88/562916888.db2.gz	RZAPXYCGYWBHRY-SSBOKUKZSA-N	1	3	666.893	2.353	1	0		KEAFHO
CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CCN(C)CC2)cc1	ZINC000653882886	562916900	/nfs/dbraw/zinc/91/69/00/562916900.db2.gz	RZAPXYCGYWBHRY-ULNSLHSMSA-N	1	3	666.893	2.353	1	0		KEAFHO
CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2CCN(C)CC2)cc1	ZINC000653882887	562916902	/nfs/dbraw/zinc/91/69/02/562916902.db2.gz	RZAPXYCGYWBHRY-YTCPBCGMSA-N	1	3	666.893	2.353	1	0		KEAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885924	562916964	/nfs/dbraw/zinc/91/69/64/562916964.db2.gz	ASFDWCMXZHPPAH-IQAPJIGKSA-N	1	3	711.978	2.160	1	0		KEAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885925	562916943	/nfs/dbraw/zinc/91/69/43/562916943.db2.gz	ASFDWCMXZHPPAH-NFRMDYDPSA-N	1	3	711.978	2.160	1	0		KEAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885926	562916961	/nfs/dbraw/zinc/91/69/61/562916961.db2.gz	ASFDWCMXZHPPAH-OVOJMXFRSA-N	1	3	711.978	2.160	1	0		KEAFHO
CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1	ZINC000653885927	562916930	/nfs/dbraw/zinc/91/69/30/562916930.db2.gz	ASFDWCMXZHPPAH-YMULXSAJSA-N	1	3	711.978	2.160	1	0		KEAFHO