smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000762715210	583250478	/nfs/dbraw/zinc/25/04/78/583250478.db2.gz	ASOLLIHOUFWJCR-CQSZACIVSA-N	0	3	343.405	-0.440	20	10		EBCDHN
C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000762715210	583250480	/nfs/dbraw/zinc/25/04/80/583250480.db2.gz	ASOLLIHOUFWJCR-CQSZACIVSA-N	0	3	343.405	-0.440	20	10		EBCDHN
CCS(=O)(=O)NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	ZINC000832280182	583997128	/nfs/dbraw/zinc/99/71/28/583997128.db2.gz	NTUISKDXRREPQO-ZDUSSCGKSA-N	0	3	328.438	-0.192	20	10		EBCDHN
O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)NC1CNC1	ZINC000842216695	584060618	/nfs/dbraw/zinc/06/06/18/584060618.db2.gz	NELKRCYHCNBWQY-UHFFFAOYSA-N	0	3	334.445	-0.056	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1	ZINC000843298821	584075345	/nfs/dbraw/zinc/07/53/45/584075345.db2.gz	QGNNBQWQORIMFY-UONOGXRCSA-N	0	3	340.449	-0.098	20	10		EBCDHN
COC[C@@]1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CNCCO1	ZINC000876506908	584517621	/nfs/dbraw/zinc/51/76/21/584517621.db2.gz	QIZOQOPOUNAJNS-DOTOQJQBSA-N	0	3	336.436	-0.126	20	10		EBCDHN
COC(=O)CNC(=O)CNCc1ccc(N2CCN(C)CC2)cc1	ZINC000877706399	584534110	/nfs/dbraw/zinc/53/41/10/584534110.db2.gz	KWCOEKSUKXKDOH-UHFFFAOYSA-N	0	3	334.420	-0.183	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1	ZINC001153037525	831203351	/nfs/dbraw/zinc/20/33/51/831203351.db2.gz	PICHYBHCUMBVMH-UHFFFAOYSA-N	0	3	335.324	-0.637	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cc1	ZINC001153047728	831203488	/nfs/dbraw/zinc/20/34/88/831203488.db2.gz	KJCRCTRTBUWADN-NSHDSACASA-N	0	3	346.347	-0.026	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CN(C)C(=O)CN2)N(C)C)cc1	ZINC001345648716	843414172	/nfs/dbraw/zinc/41/41/72/843414172.db2.gz	ZJSXLRPXOOALDR-HZPDHXFCSA-N	0	3	347.463	-0.098	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCNC2=O)cc1C	ZINC001486023538	1126974905	/nfs/dbraw/zinc/97/49/05/1126974905.db2.gz	TWJXWCSXFYMTHP-KGLIPLIRSA-N	0	3	335.404	-0.294	20	10		EBCDHN
CC(=O)NCC(=O)NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	ZINC000832281086	583997157	/nfs/dbraw/zinc/99/71/57/583997157.db2.gz	SDNXCQIQNMTTDG-AWEZNQCLSA-N	0	3	335.408	-0.879	20	10		EBCDHN
CC(=O)NCC(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	ZINC000832281092	583997215	/nfs/dbraw/zinc/99/72/15/583997215.db2.gz	SDNXCQIQNMTTDG-CQSZACIVSA-N	0	3	335.408	-0.879	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1	ZINC000843298989	584075632	/nfs/dbraw/zinc/07/56/32/584075632.db2.gz	RVYXQBWJDGKZKC-LBPRGKRZSA-N	0	3	347.375	-0.711	20	10		EBCDHN
COC[C@]1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CNCCO1	ZINC000876506910	584517537	/nfs/dbraw/zinc/51/75/37/584517537.db2.gz	QIZOQOPOUNAJNS-RDJZCZTQSA-N	0	3	336.436	-0.126	20	10		EBCDHN
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCNCCNCC2)cc1	ZINC000926289518	650384818	/nfs/dbraw/zinc/38/48/18/650384818.db2.gz	WHTPRYUJKXUPFQ-UHFFFAOYSA-N	0	3	347.463	-0.268	20	10		EBCDHN
Cn1ncnc1C(=O)N1CC2(CN(Cc3c(O)cc(O)cc3O)C2)C1	ZINC001275109795	817152032	/nfs/dbraw/zinc/15/20/32/817152032.db2.gz	OYCMPGBJASCVHQ-UHFFFAOYSA-N	0	3	345.359	-0.110	20	10		EBCDHN
COc1ccc(N2CCN(C[C@@H](O)CNC3(C(N)=O)CC3)CC2)cc1	ZINC000754249557	583166869	/nfs/dbraw/zinc/16/68/69/583166869.db2.gz	UTJMQJGORFHCPC-HNNXBMFYSA-N	0	3	348.447	-0.214	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1	ZINC000832299512	583997377	/nfs/dbraw/zinc/99/73/77/583997377.db2.gz	BWTNCWQMKGGRNQ-AWEZNQCLSA-N	0	3	345.403	-0.571	20	10		EBCDHN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CNC1	ZINC000842217069	584060634	/nfs/dbraw/zinc/06/06/34/584060634.db2.gz	STXIOJOFXVNGDR-UHFFFAOYSA-N	0	3	336.367	-0.634	20	10		EBCDHN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC1CNC1	ZINC000842236828	584061669	/nfs/dbraw/zinc/06/16/69/584061669.db2.gz	WEAKHDWAXXUJJK-UHFFFAOYSA-N	0	3	332.404	-0.430	20	10		EBCDHN
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H](O)CO)CC2)cc1	ZINC000843064234	584071003	/nfs/dbraw/zinc/07/10/03/584071003.db2.gz	XHZKJNFMCVVQRC-HZPDHXFCSA-N	0	3	339.436	-0.879	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1	ZINC000843298216	584075258	/nfs/dbraw/zinc/07/52/58/584075258.db2.gz	LOWRBFAHWJBSFL-ZDUSSCGKSA-N	0	3	331.376	-0.169	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CN2C(=O)CN(C)C2=O)cc1	ZINC000843298753	584075416	/nfs/dbraw/zinc/07/54/16/584075416.db2.gz	OZIPALDTGJLXBN-CYBMUJFWSA-N	0	3	333.392	-0.237	20	10		EBCDHN
CO[C@@H](CN)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	ZINC000884334379	584621743	/nfs/dbraw/zinc/62/17/43/584621743.db2.gz	OBOZLERWYMHIAA-INIZCTEOSA-N	0	3	334.420	-0.055	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC(CO)C2)N(C)C)cc1	ZINC000934326911	719450620	/nfs/dbraw/zinc/45/06/20/719450620.db2.gz	FBMUZYNLFBJHNN-INIZCTEOSA-N	0	3	348.447	-0.078	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1	ZINC000958732737	722421863	/nfs/dbraw/zinc/42/18/63/722421863.db2.gz	QBKSYGPKZGZSMB-WCQYABFASA-N	0	3	335.364	-0.136	20	10		EBCDHN
CN(C)C[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000816617915	583718317	/nfs/dbraw/zinc/71/83/17/583718317.db2.gz	LIPBAUVZYRNHIU-SNVBAGLBSA-N	0	3	331.394	-0.584	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CS(=O)(=O)N(C)C)cc1	ZINC000832284192	583997188	/nfs/dbraw/zinc/99/71/88/583997188.db2.gz	IBOJDEUPMMWILQ-ZDUSSCGKSA-N	0	3	328.438	-0.240	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1	ZINC000832299513	583997282	/nfs/dbraw/zinc/99/72/82/583997282.db2.gz	BWTNCWQMKGGRNQ-CQSZACIVSA-N	0	3	345.403	-0.571	20	10		EBCDHN
O=C(NC1CNC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000842234383	584061664	/nfs/dbraw/zinc/06/16/64/584061664.db2.gz	FMRRGVAHSNQDJR-CQSZACIVSA-N	0	3	333.388	-0.012	20	10		EBCDHN
COCCN(CCN(C)C)C(=O)C(=O)NCCc1ccc(N)cc1	ZINC000842235495	584061713	/nfs/dbraw/zinc/06/17/13/584061713.db2.gz	GVHLZKXNQCRVHV-UHFFFAOYSA-N	0	3	336.436	-0.036	20	10		EBCDHN
COc1ccc(N2CCN(C[C@@H](O)CNC(CO)CO)CC2)cc1	ZINC000843060363	584070728	/nfs/dbraw/zinc/07/07/28/584070728.db2.gz	VKSLHMQWTBRLOB-INIZCTEOSA-N	0	3	339.436	-0.879	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1	ZINC000843298819	584075293	/nfs/dbraw/zinc/07/52/93/584075293.db2.gz	QGNNBQWQORIMFY-KBPBESRZSA-N	0	3	340.449	-0.098	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1	ZINC000843298215	584075340	/nfs/dbraw/zinc/07/53/40/584075340.db2.gz	LOWRBFAHWJBSFL-CYBMUJFWSA-N	0	3	331.376	-0.169	20	10		EBCDHN
COc1ccc(N2CCN(C(=O)C(=O)NCCN)CC2)c(OC)c1	ZINC000884672965	584633061	/nfs/dbraw/zinc/63/30/61/584633061.db2.gz	IRFVMKUJGFSTNL-UHFFFAOYSA-N	0	3	336.392	-0.573	20	10		EBCDHN
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCNCCNCC1	ZINC000911124366	650152876	/nfs/dbraw/zinc/15/28/76/650152876.db2.gz	LMMSGIGICLVZNL-UHFFFAOYSA-N	0	3	347.463	-0.301	20	10		EBCDHN
C[C@@H](NC(=O)C(=O)N1CCNCCNCC1)c1ccc(N(C)C)cc1	ZINC000911227077	650160720	/nfs/dbraw/zinc/16/07/20/650160720.db2.gz	STEOMSITUSRTLP-CQSZACIVSA-N	0	3	347.463	-0.049	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CNOC2)N(C)C)cc1	ZINC000911465113	650186499	/nfs/dbraw/zinc/18/64/99/650186499.db2.gz	QIZQGSMOOKRSDW-DZGCQCFKSA-N	0	3	349.435	-0.509	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCO)N(C)C)cc1	ZINC000934318451	719450757	/nfs/dbraw/zinc/45/07/57/719450757.db2.gz	VTWXUNCNHBAWAL-OAHLLOKOSA-N	0	3	336.436	-0.078	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CC(CO)C2)N(C)C)cc1	ZINC000934326912	719450855	/nfs/dbraw/zinc/45/08/55/719450855.db2.gz	FBMUZYNLFBJHNN-MRXNPFEDSA-N	0	3	348.447	-0.078	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CCNC2=O)cc1C	ZINC001486023537	1126975337	/nfs/dbraw/zinc/97/53/37/1126975337.db2.gz	TWJXWCSXFYMTHP-KBPBESRZSA-N	0	3	335.404	-0.294	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)c2nnn(C)n2)cc1C	ZINC001486028573	1126999511	/nfs/dbraw/zinc/99/95/11/1126999511.db2.gz	VRCCZNNPCOBSRY-GFCCVEGCSA-N	0	3	334.380	-0.592	20	10		EBCDHN
CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1	ZINC000842037107	584056764	/nfs/dbraw/zinc/05/67/64/584056764.db2.gz	VGMFJLIPLQDDKF-OAHLLOKOSA-N	0	3	333.436	-0.530	20	10		EBCDHN
C[C@H](NC(=O)C(=O)N1CCNCCNCC1)c1ccc(N(C)C)cc1	ZINC000911227076	650160849	/nfs/dbraw/zinc/16/08/49/650160849.db2.gz	STEOMSITUSRTLP-AWEZNQCLSA-N	0	3	347.463	-0.049	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CNOC2)N(C)C)cc1	ZINC000911456435	650185569	/nfs/dbraw/zinc/18/55/69/650185569.db2.gz	QIZQGSMOOKRSDW-UKRRQHHQSA-N	0	3	349.435	-0.509	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1	ZINC000958732736	722421888	/nfs/dbraw/zinc/42/18/88/722421888.db2.gz	QBKSYGPKZGZSMB-DGCLKSJQSA-N	0	3	335.364	-0.136	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CN(C)C(=O)CN2)N(C)C)cc1	ZINC001345648712	843414687	/nfs/dbraw/zinc/41/46/87/843414687.db2.gz	ZJSXLRPXOOALDR-CVEARBPZSA-N	0	3	347.463	-0.098	20	10		EBCDHN
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CNCCS1(=O)=O	ZINC001357428555	1131087377	/nfs/dbraw/zinc/08/73/77/1131087377.db2.gz	OUXOYLSKOIAYPG-AWEZNQCLSA-N	0	3	339.417	-0.135	20	10		EBCDHN
O=S1(=O)C[C@H](NCc2ccccc2O)[C@@H](N2CCOCC2)C1	ZINC000265216771	379255578	/nfs/dbraw/zinc/25/55/78/379255578.db2.gz	FVNSPSSXQUJZOB-KBPBESRZSA-N	0	3	326.418	-0.020	20	10		EBCDHN
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1F	ZINC000842148836	584057715	/nfs/dbraw/zinc/05/77/15/584057715.db2.gz	QMEMPBSDSDHOPD-GFCCVEGCSA-N	0	3	338.383	-0.388	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)CCS(C)(=O)=O)cc1	ZINC000842784860	584067132	/nfs/dbraw/zinc/06/71/32/584067132.db2.gz	MOIPJBJNFUZHKJ-ZDUSSCGKSA-N	0	3	349.478	-0.284	20	10		EBCDHN
COc1ccc(N2CCN(C[C@H](O)CNC(CO)CO)CC2)cc1	ZINC000843060364	584070816	/nfs/dbraw/zinc/07/08/16/584070816.db2.gz	VKSLHMQWTBRLOB-MRXNPFEDSA-N	0	3	339.436	-0.879	20	10		EBCDHN
CN1CCN(c2ccc(CNC(=O)C(=O)NC3CNC3)cc2)CC1	ZINC000884692920	584634702	/nfs/dbraw/zinc/63/47/02/584634702.db2.gz	DVOUPPVRPCFGOM-UHFFFAOYSA-N	0	3	331.420	-0.857	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCNCC2)N(C)C)cc1	ZINC000911581044	650194456	/nfs/dbraw/zinc/19/44/56/650194456.db2.gz	ZDFPGGCVWIMRSH-INIZCTEOSA-N	0	3	347.463	-0.097	20	10		EBCDHN
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CNCCS1(=O)=O	ZINC001357428560	1131087401	/nfs/dbraw/zinc/08/74/01/1131087401.db2.gz	OUXOYLSKOIAYPG-CQSZACIVSA-N	0	3	339.417	-0.135	20	10		EBCDHN
COc1ccc(N2CCN(CCNC(=O)CNC(=O)CN)CC2)cc1	ZINC000274401038	379688098	/nfs/dbraw/zinc/68/80/98/379688098.db2.gz	GSYMNMYWLXTCPZ-UHFFFAOYSA-N	0	3	349.435	-0.992	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000832274773	583997095	/nfs/dbraw/zinc/99/70/95/583997095.db2.gz	YACQFNXLLFEMTF-CQSZACIVSA-N	0	3	345.403	-0.420	20	10		EBCDHN
C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N1CCNCC1=O	ZINC000876507007	584517468	/nfs/dbraw/zinc/51/74/68/584517468.db2.gz	SOZLUHIZXIEBSL-SWLSCSKDSA-N	0	3	333.436	-0.311	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)Cc2nc[nH]n2)cc1C	ZINC001278178071	817718689	/nfs/dbraw/zinc/71/86/89/817718689.db2.gz	AJBIEOCJCOEVRF-ZDUSSCGKSA-N	0	3	333.392	-0.069	20	10		EBCDHN
CNC(=O)NC(=O)CNCCNC(=O)c1ccc(N=NC(N)=O)cc1	ZINC001153048235	831203324	/nfs/dbraw/zinc/20/33/24/831203324.db2.gz	WQNZTANKXAQZTR-UHFFFAOYSA-N	0	3	349.351	-0.376	20	10		EBCDHN
O=C([C@H]1COC2(CNC2)CN1)N1CCCc2cc(O)c(O)cc2C1	ZINC001160925251	831906517	/nfs/dbraw/zinc/90/65/17/831906517.db2.gz	WQRRFEBCIDRNSF-CYBMUJFWSA-N	0	3	333.388	-0.297	20	10		EBCDHN
COc1ccc(N2CCN(C[C@H](O)CNC3(C(N)=O)CC3)CC2)cc1	ZINC000754249558	583166888	/nfs/dbraw/zinc/16/68/88/583166888.db2.gz	UTJMQJGORFHCPC-OAHLLOKOSA-N	0	3	348.447	-0.214	20	10		EBCDHN
CN(C)C[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000816617914	583718354	/nfs/dbraw/zinc/71/83/54/583718354.db2.gz	LIPBAUVZYRNHIU-JTQLQIEISA-N	0	3	331.394	-0.584	20	10		EBCDHN
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC3CNC3)C2)cc1	ZINC000818678590	583748260	/nfs/dbraw/zinc/74/82/60/583748260.db2.gz	YCMZRZXUTKHXJR-GFCCVEGCSA-N	0	3	332.404	-0.274	20	10		EBCDHN
CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)ccc21	ZINC000842150395	584057807	/nfs/dbraw/zinc/05/78/07/584057807.db2.gz	QXAWNDLIJLQYBK-HNNXBMFYSA-N	0	3	346.431	-0.210	20	10		EBCDHN
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)CC1	ZINC000876909977	584526677	/nfs/dbraw/zinc/52/66/77/584526677.db2.gz	OBALITYBUJECON-KRWDZBQOSA-N	0	3	347.463	-0.140	20	10		EBCDHN
Cc1cc(C)c(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c(O)c1	ZINC001220825966	811257274	/nfs/dbraw/zinc/25/72/74/811257274.db2.gz	VYHPGUGAUYFEBK-JQWIXIFHSA-N	0	3	336.392	-0.667	20	10		EBCDHN
CN1CCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2)CC1	ZINC001330983259	841306915	/nfs/dbraw/zinc/30/69/15/841306915.db2.gz	PRAGODDNYRWPFY-UHFFFAOYSA-N	0	3	345.447	-0.514	20	10		EBCDHN
C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000269920652	379417713	/nfs/dbraw/zinc/41/77/13/379417713.db2.gz	RPZMLUGYKZOSHV-CQSZACIVSA-N	0	3	345.421	-0.194	20	10		EBCDHN
CCS(=O)(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	ZINC000832280180	583997211	/nfs/dbraw/zinc/99/72/11/583997211.db2.gz	NTUISKDXRREPQO-CYBMUJFWSA-N	0	3	328.438	-0.192	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCC(=O)NC2=O)cc1	ZINC000832273832	583997222	/nfs/dbraw/zinc/99/72/22/583997222.db2.gz	QTADIYQURBKWEP-ZDUSSCGKSA-N	0	3	333.392	-0.190	20	10		EBCDHN
CN(C)c1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1F	ZINC000842147966	584057798	/nfs/dbraw/zinc/05/77/98/584057798.db2.gz	JTKCNUWQOWPYLE-UHFFFAOYSA-N	0	3	326.372	-0.713	20	10		EBCDHN
Nc1nc(N)nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1	ZINC000858386626	584287475	/nfs/dbraw/zinc/28/74/75/584287475.db2.gz	SOYMCTDANUPJCR-UHFFFAOYSA-N	0	3	349.420	-0.117	20	10		EBCDHN
COc1ccc(N2CCN(CCNC(=O)[C@@H](N)CN(C)C)CC2)cc1	ZINC000876781992	584523701	/nfs/dbraw/zinc/52/37/01/584523701.db2.gz	KUJCXANLKADIDU-KRWDZBQOSA-N	0	3	349.479	-0.178	20	10		EBCDHN
CNC(=O)CN1CCO[C@H]2CN(Cc3c(O)cc(O)cc3O)C[C@H]21	ZINC001144510242	830165625	/nfs/dbraw/zinc/16/56/25/830165625.db2.gz	VONZBKINAFHOKS-DOMZBBRYSA-N	0	3	337.376	-0.566	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000832274772	583997178	/nfs/dbraw/zinc/99/71/78/583997178.db2.gz	YACQFNXLLFEMTF-AWEZNQCLSA-N	0	3	345.403	-0.420	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc1	ZINC000832300578	583997296	/nfs/dbraw/zinc/99/72/96/583997296.db2.gz	ZMFKCGPRMCBWSS-CYBMUJFWSA-N	0	3	331.376	-0.018	20	10		EBCDHN
NCCN(CCO)C(=O)C(=O)NCCCSc1nccs1	ZINC000842092829	584057151	/nfs/dbraw/zinc/05/71/51/584057151.db2.gz	MYDSMYQONOELJF-UHFFFAOYSA-N	0	3	332.451	-0.479	20	10		EBCDHN
C[C@@H](NC(=O)C(=O)NC1CNC1)c1ccc(N2CCOCC2)cc1	ZINC000842123553	584057313	/nfs/dbraw/zinc/05/73/13/584057313.db2.gz	PANUDFCNKZKMNA-GFCCVEGCSA-N	0	3	332.404	-0.212	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)N2CCOCC2)cc1	ZINC000842785668	584067058	/nfs/dbraw/zinc/06/70/58/584067058.db2.gz	JUUHJXMRHMTCIG-AWEZNQCLSA-N	0	3	328.438	-0.081	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNS(=O)(=O)CCS(C)(=O)=O)cc1	ZINC000842784853	584067128	/nfs/dbraw/zinc/06/71/28/584067128.db2.gz	MOIPJBJNFUZHKJ-CYBMUJFWSA-N	0	3	349.478	-0.284	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc1C	ZINC001278187709	817721959	/nfs/dbraw/zinc/72/19/59/817721959.db2.gz	WUXZEZVJKUTIPX-KBPBESRZSA-N	0	3	335.404	-0.151	20	10		EBCDHN
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CNCCO1	ZINC000842154150	584057814	/nfs/dbraw/zinc/05/78/14/584057814.db2.gz	RRDMEMSNONPYFQ-OAHLLOKOSA-N	0	3	334.420	-0.218	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)c2nc3n(n2)CCCN3)cc1	ZINC000843298372	584075332	/nfs/dbraw/zinc/07/53/32/584075332.db2.gz	NVARDSVSUSJQJL-ZDUSSCGKSA-N	0	3	329.408	-0.153	20	10		EBCDHN
COC[C@@]1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CNCCO1	ZINC000876506909	584517492	/nfs/dbraw/zinc/51/74/92/584517492.db2.gz	QIZOQOPOUNAJNS-NVXWUHKLSA-N	0	3	336.436	-0.126	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CN(C)C(=O)CN2)N(C)C)cc1	ZINC001345648714	843414375	/nfs/dbraw/zinc/41/43/75/843414375.db2.gz	ZJSXLRPXOOALDR-HOTGVXAUSA-N	0	3	347.463	-0.098	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)CN2CCNC(=O)C2)N(C)C)cc1	ZINC000891247750	582543588	/nfs/dbraw/zinc/54/35/88/582543588.db2.gz	UZJOCJCQJRYXIN-MRXNPFEDSA-N	0	3	347.463	-0.097	20	10		EBCDHN
CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1	ZINC000842037089	584056679	/nfs/dbraw/zinc/05/66/79/584056679.db2.gz	VGMFJLIPLQDDKF-HNNXBMFYSA-N	0	3	333.436	-0.530	20	10		EBCDHN
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN	ZINC000842154535	584057680	/nfs/dbraw/zinc/05/76/80/584057680.db2.gz	USLJDBNGBALOOY-INIZCTEOSA-N	0	3	347.463	-0.221	20	10		EBCDHN
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN	ZINC000842154549	584057685	/nfs/dbraw/zinc/05/76/85/584057685.db2.gz	USLJDBNGBALOOY-MRXNPFEDSA-N	0	3	347.463	-0.221	20	10		EBCDHN
COc1ccc(N2CCN(CCCNC(=O)C3(O)CNC3)CC2)cc1	ZINC000852872539	584218215	/nfs/dbraw/zinc/21/82/15/584218215.db2.gz	HERCAEIBCNXIIH-UHFFFAOYSA-N	0	3	348.447	-0.342	20	10		EBCDHN
C[C@@H](NCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NC(N)=O	ZINC001153037984	831203362	/nfs/dbraw/zinc/20/33/62/831203362.db2.gz	XUFQKXVARAHBHX-MRVPVSSYSA-N	0	3	349.351	-0.248	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CN(C)S(C)(=O)=O)cc1	ZINC000832280552	583997193	/nfs/dbraw/zinc/99/71/93/583997193.db2.gz	PLXINGRBBDJUTG-CYBMUJFWSA-N	0	3	328.438	-0.240	20	10		EBCDHN
CN1CCCc2cc(CNC(=O)C(=O)N(CCN)CCO)ccc21	ZINC000842150006	584057862	/nfs/dbraw/zinc/05/78/62/584057862.db2.gz	KYQMZZFJLPBAJP-UHFFFAOYSA-N	0	3	334.420	-0.535	20	10		EBCDHN
COc1ccc(N2CCC(NC(=O)C(=O)NC3CNC3)CC2)cc1	ZINC000842185889	584060135	/nfs/dbraw/zinc/06/01/35/584060135.db2.gz	ANBCXVNKOSLXJP-UHFFFAOYSA-N	0	3	332.404	-0.132	20	10		EBCDHN
CCN(CCN)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000861761473	584338167	/nfs/dbraw/zinc/33/81/67/584338167.db2.gz	IIWUOFXUMOAMIG-UHFFFAOYSA-N	0	3	334.420	-0.053	20	10		EBCDHN
CN(C)c1ccc(CNC(=O)C(=O)N2CCNCCNCC2)cc1	ZINC000910992001	650144323	/nfs/dbraw/zinc/14/43/23/650144323.db2.gz	KUPUZBSMSYPKRC-UHFFFAOYSA-N	0	3	333.436	-0.610	20	10		EBCDHN
O=C(NCc1c([O-])cccc1F)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2	ZINC001342613373	843172158	/nfs/dbraw/zinc/17/21/58/843172158.db2.gz	NEEKEYXKIGRRBB-XPTSAGLGSA-N	0	3	328.365	-0.218	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)c2nnn(C)n2)cc1C	ZINC001486028574	1126999545	/nfs/dbraw/zinc/99/95/45/1126999545.db2.gz	VRCCZNNPCOBSRY-LBPRGKRZSA-N	0	3	334.380	-0.592	20	10		EBCDHN
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1	ZINC000817989453	583732813	/nfs/dbraw/zinc/73/28/13/583732813.db2.gz	LWUPYFMXADIZTJ-MRXNPFEDSA-N	0	3	347.463	-0.188	20	10		EBCDHN
CN1CCN(c2ccc(CNC(=O)C(=O)N3CCNCC3)cc2)CC1	ZINC000885210150	584645779	/nfs/dbraw/zinc/64/57/79/584645779.db2.gz	KLYRKXARQBTVCS-UHFFFAOYSA-N	0	3	345.447	-0.514	20	10		EBCDHN
CN1CCN(c2ccc(CNCc3cn(CC(N)=O)nn3)cc2)CC1	ZINC001353030243	832393029	/nfs/dbraw/zinc/39/30/29/832393029.db2.gz	NPEXOWXBRQIHJP-UHFFFAOYSA-N	0	3	343.435	-0.195	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CN(C)C(=O)CN2)N(C)C)cc1	ZINC001345648718	843414672	/nfs/dbraw/zinc/41/46/72/843414672.db2.gz	ZJSXLRPXOOALDR-JKSUJKDBSA-N	0	3	347.463	-0.098	20	10		EBCDHN
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1	ZINC000842154142	584057888	/nfs/dbraw/zinc/05/78/88/584057888.db2.gz	RRDMEMSNONPYFQ-HNNXBMFYSA-N	0	3	334.420	-0.218	20	10		EBCDHN
CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CNCCO2)cc1	ZINC000842277609	584063055	/nfs/dbraw/zinc/06/30/55/584063055.db2.gz	LUXIHJCGAITBMX-OAHLLOKOSA-N	0	3	334.420	-0.184	20	10		EBCDHN
Cc1nn(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c(=O)n1C	ZINC000848393884	584156613	/nfs/dbraw/zinc/15/66/13/584156613.db2.gz	KPXMLHNVLCJZKP-CQSZACIVSA-N	0	3	332.408	-0.228	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CNOC2)N(C)C)cc1	ZINC000911456429	650185526	/nfs/dbraw/zinc/18/55/26/650185526.db2.gz	QIZQGSMOOKRSDW-HIFRSBDPSA-N	0	3	349.435	-0.509	20	10		EBCDHN
O=C(NC1CNC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000842234382	584061607	/nfs/dbraw/zinc/06/16/07/584061607.db2.gz	FMRRGVAHSNQDJR-AWEZNQCLSA-N	0	3	333.388	-0.012	20	10		EBCDHN
O=C([C@@H]1COC2(CNC2)CN1)N1CCCc2cc(O)c(O)cc2C1	ZINC001160925254	831906018	/nfs/dbraw/zinc/90/60/18/831906018.db2.gz	WQRRFEBCIDRNSF-ZDUSSCGKSA-N	0	3	333.388	-0.297	20	10		EBCDHN
O=S1(=O)C[C@@H](NCc2ccccc2O)[C@H](N2CCOCC2)C1	ZINC000265216780	379254364	/nfs/dbraw/zinc/25/43/64/379254364.db2.gz	FVNSPSSXQUJZOB-ZIAGYGMSSA-N	0	3	326.418	-0.020	20	10		EBCDHN
COc1ccc(N2CCN(CCNC(=O)[C@@H](CN)OC)CC2)cc1	ZINC000289817616	380449843	/nfs/dbraw/zinc/44/98/43/380449843.db2.gz	AQNZMKRISUAFAL-MRXNPFEDSA-N	0	3	336.436	-0.093	20	10		EBCDHN
C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000762715208	583250677	/nfs/dbraw/zinc/25/06/77/583250677.db2.gz	ASOLLIHOUFWJCR-AWEZNQCLSA-N	0	3	343.405	-0.440	20	10		EBCDHN
C[N@H+]1CC[C@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000762715208	583250680	/nfs/dbraw/zinc/25/06/80/583250680.db2.gz	ASOLLIHOUFWJCR-AWEZNQCLSA-N	0	3	343.405	-0.440	20	10		EBCDHN
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC3CNC3)C2)cc1	ZINC000818678592	583748229	/nfs/dbraw/zinc/74/82/29/583748229.db2.gz	YCMZRZXUTKHXJR-LBPRGKRZSA-N	0	3	332.404	-0.274	20	10		EBCDHN
O=C1COC[C@@]2(C[NH2+]Cc3cc4c(cc3[O-])OCO4)COCCN12	ZINC000865797462	584396498	/nfs/dbraw/zinc/39/64/98/584396498.db2.gz	IDCAFOGAISWWAN-MRXNPFEDSA-N	0	3	336.344	-0.162	20	10		EBCDHN
CNC(=O)NCC(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1	ZINC001486002225	1126943616	/nfs/dbraw/zinc/94/36/16/1126943616.db2.gz	MUFVGWKHUYDSPG-ZDUSSCGKSA-N	0	3	338.408	-0.501	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)Cn2cncn2)cc1C	ZINC001486059423	1127008649	/nfs/dbraw/zinc/00/86/49/1127008649.db2.gz	QTIXNTXYVAPNNR-AWEZNQCLSA-N	0	3	333.392	-0.138	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1	ZINC000846663361	584129636	/nfs/dbraw/zinc/12/96/36/584129636.db2.gz	GVHQUDSDJUGCSR-CHWSQXEVSA-N	0	3	326.422	-0.440	20	10		EBCDHN
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC1CNC1	ZINC000851687808	584198844	/nfs/dbraw/zinc/19/88/44/584198844.db2.gz	IPYPLXNSHKDDPO-UHFFFAOYSA-N	0	3	332.404	-0.648	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CN2CC(=O)N(C)C2=O)cc1	ZINC000876506121	584517564	/nfs/dbraw/zinc/51/75/64/584517564.db2.gz	FPEGVOPRDYPZAL-CYBMUJFWSA-N	0	3	333.392	-0.237	20	10		EBCDHN
O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2ccccc2O)C1	ZINC000265216774	379254711	/nfs/dbraw/zinc/25/47/11/379254711.db2.gz	FVNSPSSXQUJZOB-KGLIPLIRSA-N	0	3	326.418	-0.020	20	10		EBCDHN
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1	ZINC000817989451	583732770	/nfs/dbraw/zinc/73/27/70/583732770.db2.gz	LWUPYFMXADIZTJ-INIZCTEOSA-N	0	3	347.463	-0.188	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCOCC2)cc1	ZINC000842785671	584067031	/nfs/dbraw/zinc/06/70/31/584067031.db2.gz	JUUHJXMRHMTCIG-CQSZACIVSA-N	0	3	328.438	-0.081	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CN2C(=O)CN(C)C2=O)cc1	ZINC000843298754	584075283	/nfs/dbraw/zinc/07/52/83/584075283.db2.gz	OZIPALDTGJLXBN-ZDUSSCGKSA-N	0	3	333.392	-0.237	20	10		EBCDHN
C[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)N1CCNCC1=O	ZINC000876507005	584517544	/nfs/dbraw/zinc/51/75/44/584517544.db2.gz	SOZLUHIZXIEBSL-DOMZBBRYSA-N	0	3	333.436	-0.311	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCNCC2)N(C)C)cc1	ZINC000911581045	650194385	/nfs/dbraw/zinc/19/43/85/650194385.db2.gz	ZDFPGGCVWIMRSH-MRXNPFEDSA-N	0	3	347.463	-0.097	20	10		EBCDHN
N[C@H]1CCCCN(CC(=O)NCCc2cc(O)c(O)cc2O)C1=O	ZINC001220115167	810987232	/nfs/dbraw/zinc/98/72/32/810987232.db2.gz	IQRSGUAKGBBCOX-NSHDSACASA-N	0	3	337.376	-0.198	20	10		EBCDHN
CNC(=O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC001356569823	1130881127	/nfs/dbraw/zinc/88/11/27/1130881127.db2.gz	PVKUPCOEIUDTRI-HNNXBMFYSA-N	0	3	336.436	-0.486	20	10		EBCDHN
CCOC(=O)c1cnn2c1[nH]c(CN(CCO)C[C@H](C)O)cc2=O	ZINC000289884488	380451812	/nfs/dbraw/zinc/45/18/12/380451812.db2.gz	ROEHZWNTADZDBV-JTQLQIEISA-N	0	3	338.364	-0.213	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)CCNC(=O)CO)N(C)C)cc1	ZINC000891245293	582543622	/nfs/dbraw/zinc/54/36/22/582543622.db2.gz	CCCQDPYOHUTTPD-HNNXBMFYSA-N	0	3	336.436	-0.030	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CCNS(C)(=O)=O)cc1	ZINC000832280217	583997139	/nfs/dbraw/zinc/99/71/39/583997139.db2.gz	NYOFXEBTTJVQEL-CYBMUJFWSA-N	0	3	328.438	-0.192	20	10		EBCDHN
COCCS(=O)(=O)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	ZINC000843298510	584075206	/nfs/dbraw/zinc/07/52/06/584075206.db2.gz	NVEXXRBSKHWQIN-AWEZNQCLSA-N	0	3	343.449	-0.070	20	10		EBCDHN
COC(=O)c1cn(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nn1	ZINC000843297031	584075356	/nfs/dbraw/zinc/07/53/56/584075356.db2.gz	FAHCYKJSIBOULW-CYBMUJFWSA-N	0	3	346.391	-0.053	20	10		EBCDHN
CN(CCN)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000851692177	584200601	/nfs/dbraw/zinc/20/06/01/584200601.db2.gz	SDPCGYIGSXMKOI-UHFFFAOYSA-N	0	3	334.420	-0.319	20	10		EBCDHN
C[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N1CCNCC1=O	ZINC000876507006	584517523	/nfs/dbraw/zinc/51/75/23/584517523.db2.gz	SOZLUHIZXIEBSL-IUODEOHRSA-N	0	3	333.436	-0.311	20	10		EBCDHN
CN(C)c1ccc([C@@H](CNC(=O)CCNC(=O)CO)N(C)C)cc1	ZINC000891245294	582543570	/nfs/dbraw/zinc/54/35/70/582543570.db2.gz	CCCQDPYOHUTTPD-OAHLLOKOSA-N	0	3	336.436	-0.030	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCCS2(=O)=O)cc1	ZINC000832281979	583997116	/nfs/dbraw/zinc/99/71/16/583997116.db2.gz	WUPLDFZVCMWMDZ-AWEZNQCLSA-N	0	3	340.449	-0.096	20	10		EBCDHN
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1	ZINC000843296810	584075222	/nfs/dbraw/zinc/07/52/22/584075222.db2.gz	GOEGZRZJMBOODJ-JTQLQIEISA-N	0	3	332.364	-0.034	20	10		EBCDHN
C[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)N1CCNCC1=O	ZINC000876507008	584517530	/nfs/dbraw/zinc/51/75/30/584517530.db2.gz	SOZLUHIZXIEBSL-WFASDCNBSA-N	0	3	333.436	-0.311	20	10		EBCDHN
N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220489753	811125468	/nfs/dbraw/zinc/12/54/68/811125468.db2.gz	FQJNJAIYCWFZSX-LBPRGKRZSA-N	0	3	336.392	-0.853	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)Cc2nc[nH]n2)cc1C	ZINC001278178070	817718510	/nfs/dbraw/zinc/71/85/10/817718510.db2.gz	AJBIEOCJCOEVRF-CYBMUJFWSA-N	0	3	333.392	-0.069	20	10		EBCDHN
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](C)C(N)=O)CC2)cc1	ZINC001335367996	842268312	/nfs/dbraw/zinc/26/83/12/842268312.db2.gz	OJINXQZNYJMJKG-DZGCQCFKSA-N	0	3	336.436	-0.359	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CN(C)S(C)(=O)=O)cc1	ZINC000832280625	583997079	/nfs/dbraw/zinc/99/70/79/583997079.db2.gz	PLXINGRBBDJUTG-ZDUSSCGKSA-N	0	3	328.438	-0.240	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CN2CCCS2(=O)=O)cc1	ZINC000832281980	583997173	/nfs/dbraw/zinc/99/71/73/583997173.db2.gz	WUPLDFZVCMWMDZ-CQSZACIVSA-N	0	3	340.449	-0.096	20	10		EBCDHN
COCCNCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000842147108	584057762	/nfs/dbraw/zinc/05/77/62/584057762.db2.gz	AYOBXCQGAPCSBO-UHFFFAOYSA-N	0	3	340.399	-0.140	20	10		EBCDHN
COc1ccc(N2CCCN(C(=O)C(=O)NC3CNC3)CC2)cc1	ZINC000842234126	584061634	/nfs/dbraw/zinc/06/16/34/584061634.db2.gz	AZQUYPPBNMPLGS-UHFFFAOYSA-N	0	3	332.404	-0.178	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1	ZINC000843298985	584075305	/nfs/dbraw/zinc/07/53/05/584075305.db2.gz	RVYXQBWJDGKZKC-GFCCVEGCSA-N	0	3	347.375	-0.711	20	10		EBCDHN
COC(=O)c1cn(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nn1	ZINC000843297033	584075325	/nfs/dbraw/zinc/07/53/25/584075325.db2.gz	FAHCYKJSIBOULW-ZDUSSCGKSA-N	0	3	346.391	-0.053	20	10		EBCDHN
O=C1COC[C@]2(C[NH2+]Cc3cc4c(cc3[O-])OCO4)COCCN12	ZINC000865797457	584396494	/nfs/dbraw/zinc/39/64/94/584396494.db2.gz	IDCAFOGAISWWAN-INIZCTEOSA-N	0	3	336.344	-0.162	20	10		EBCDHN
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)N1CCNCC1	ZINC000923593666	650346161	/nfs/dbraw/zinc/34/61/61/650346161.db2.gz	CHBCFDIKKHIWBW-UHFFFAOYSA-N	0	3	340.449	-0.237	20	10		EBCDHN
CNC(=O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC001356569824	1130880929	/nfs/dbraw/zinc/88/09/29/1130880929.db2.gz	PVKUPCOEIUDTRI-OAHLLOKOSA-N	0	3	336.436	-0.486	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CS(=O)(=O)N(C)C)cc1	ZINC000832284191	583997075	/nfs/dbraw/zinc/99/70/75/583997075.db2.gz	IBOJDEUPMMWILQ-CYBMUJFWSA-N	0	3	328.438	-0.240	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)CN2CCC(=O)NC2=O)cc1	ZINC000832273831	583997107	/nfs/dbraw/zinc/99/71/07/583997107.db2.gz	QTADIYQURBKWEP-CYBMUJFWSA-N	0	3	333.392	-0.190	20	10		EBCDHN
C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	ZINC000832282296	583997183	/nfs/dbraw/zinc/99/71/83/583997183.db2.gz	YNQJPNRXXKXLMO-GWCFXTLKSA-N	0	3	328.438	-0.194	20	10		EBCDHN
CCN1CCN(c2ccc(CNC(=O)C3(O)CNC3)cc2F)CC1	ZINC000852872143	584218345	/nfs/dbraw/zinc/21/83/45/584218345.db2.gz	BOWPTPYWHOPRRJ-UHFFFAOYSA-N	0	3	336.411	-0.082	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CCO)N(C)C)cc1	ZINC000934318446	719450606	/nfs/dbraw/zinc/45/06/06/719450606.db2.gz	VTWXUNCNHBAWAL-HNNXBMFYSA-N	0	3	336.436	-0.078	20	10		EBCDHN
N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220489752	811125109	/nfs/dbraw/zinc/12/51/09/811125109.db2.gz	FQJNJAIYCWFZSX-GFCCVEGCSA-N	0	3	336.392	-0.853	20	10		EBCDHN
C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000269920648	379418514	/nfs/dbraw/zinc/41/85/14/379418514.db2.gz	RPZMLUGYKZOSHV-AWEZNQCLSA-N	0	3	345.421	-0.194	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)CN2CCNC(=O)C2)N(C)C)cc1	ZINC000891247748	582543627	/nfs/dbraw/zinc/54/36/27/582543627.db2.gz	UZJOCJCQJRYXIN-INIZCTEOSA-N	0	3	347.463	-0.097	20	10		EBCDHN
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1F	ZINC000842148837	584057876	/nfs/dbraw/zinc/05/78/76/584057876.db2.gz	QMEMPBSDSDHOPD-LBPRGKRZSA-N	0	3	338.383	-0.388	20	10		EBCDHN
CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CNCCO2)cc1	ZINC000842277608	584062982	/nfs/dbraw/zinc/06/29/82/584062982.db2.gz	LUXIHJCGAITBMX-HNNXBMFYSA-N	0	3	334.420	-0.184	20	10		EBCDHN
COc1ccc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)c(OC)c1	ZINC000884693086	584634656	/nfs/dbraw/zinc/63/46/56/584634656.db2.gz	LFNCLIMNEVHGQE-UHFFFAOYSA-N	0	3	348.403	-0.560	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1	ZINC000958732738	722421813	/nfs/dbraw/zinc/42/18/13/722421813.db2.gz	QBKSYGPKZGZSMB-YPMHNXCESA-N	0	3	335.364	-0.136	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1	ZINC000958732735	722421962	/nfs/dbraw/zinc/42/19/62/722421962.db2.gz	QBKSYGPKZGZSMB-AAEUAGOBSA-N	0	3	335.364	-0.136	20	10		EBCDHN
O=S1(=O)C[C@H](NCc2ccccc2O)[C@H](N2CCOCC2)C1	ZINC000265216777	379254695	/nfs/dbraw/zinc/25/46/95/379254695.db2.gz	FVNSPSSXQUJZOB-UONOGXRCSA-N	0	3	326.418	-0.020	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CCNS(C)(=O)=O)cc1	ZINC000832280220	583997219	/nfs/dbraw/zinc/99/72/19/583997219.db2.gz	NYOFXEBTTJVQEL-ZDUSSCGKSA-N	0	3	328.438	-0.192	20	10		EBCDHN
CCN(CC)c1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1	ZINC000842208898	584060593	/nfs/dbraw/zinc/06/05/93/584060593.db2.gz	YALNIMLTSDKJLC-UHFFFAOYSA-N	0	3	336.436	-0.071	20	10		EBCDHN
COc1ccc(N2CCN(C[C@@H](O)CNC[C@H](O)CO)CC2)cc1	ZINC000843064231	584070973	/nfs/dbraw/zinc/07/09/73/584070973.db2.gz	XHZKJNFMCVVQRC-HOTGVXAUSA-N	0	3	339.436	-0.879	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1	ZINC000843298822	584075229	/nfs/dbraw/zinc/07/52/29/584075229.db2.gz	QGNNBQWQORIMFY-ZIAGYGMSSA-N	0	3	340.449	-0.098	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1	ZINC000843298820	584075387	/nfs/dbraw/zinc/07/53/87/584075387.db2.gz	QGNNBQWQORIMFY-KGLIPLIRSA-N	0	3	340.449	-0.098	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1	ZINC000846663362	584129667	/nfs/dbraw/zinc/12/96/67/584129667.db2.gz	GVHQUDSDJUGCSR-OLZOCXBDSA-N	0	3	326.422	-0.440	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1	ZINC000846663364	584129684	/nfs/dbraw/zinc/12/96/84/584129684.db2.gz	GVHQUDSDJUGCSR-STQMWFEESA-N	0	3	326.422	-0.440	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)CN2CC(=O)N(C)C2=O)cc1	ZINC000876506122	584517549	/nfs/dbraw/zinc/51/75/49/584517549.db2.gz	FPEGVOPRDYPZAL-ZDUSSCGKSA-N	0	3	333.392	-0.237	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc1C	ZINC001486023539	1126975208	/nfs/dbraw/zinc/97/52/08/1126975208.db2.gz	TWJXWCSXFYMTHP-UONOGXRCSA-N	0	3	335.404	-0.294	20	10		EBCDHN
COc1ccc(N2CCN(CCNC(=O)[C@H](CN)OC)CC2)cc1	ZINC000289817615	380449528	/nfs/dbraw/zinc/44/95/28/380449528.db2.gz	AQNZMKRISUAFAL-INIZCTEOSA-N	0	3	336.436	-0.093	20	10		EBCDHN
CN1C(=O)C(=CNNc2ccc(-n3ccnc3)nn2)C(=O)N(C)C1=O	ZINC000794700059	583585159	/nfs/dbraw/zinc/58/51/59/583585159.db2.gz	OUAFQURGAPFGSP-UHFFFAOYSA-N	0	3	342.319	-0.487	20	10		EBCDHN
CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1	ZINC000843296812	584075240	/nfs/dbraw/zinc/07/52/40/584075240.db2.gz	GOEGZRZJMBOODJ-SNVBAGLBSA-N	0	3	332.364	-0.034	20	10		EBCDHN
CN(C)c1ccc([C@H](N)CNC(=O)c2nc3n(n2)CCCN3)cc1	ZINC000843298368	584075382	/nfs/dbraw/zinc/07/53/82/584075382.db2.gz	NVARDSVSUSJQJL-CYBMUJFWSA-N	0	3	329.408	-0.153	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc1C	ZINC001278187710	817721793	/nfs/dbraw/zinc/72/17/93/817721793.db2.gz	WUXZEZVJKUTIPX-KGLIPLIRSA-N	0	3	335.404	-0.151	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)Cn2cncn2)cc1C	ZINC001486059424	1127008596	/nfs/dbraw/zinc/00/85/96/1127008596.db2.gz	QTIXNTXYVAPNNR-CQSZACIVSA-N	0	3	333.392	-0.138	20	10		EBCDHN
O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc2c(cc1[O-])OCO2	ZINC000903967616	582823911	/nfs/dbraw/zinc/82/39/11/582823911.db2.gz	DLHGLSCLYUQOPA-LLVKDONJSA-N	0	3	328.390	-0.013	20	10		EBCDHN
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H](O)CO)CC2)cc1	ZINC000843064235	584070943	/nfs/dbraw/zinc/07/09/43/584070943.db2.gz	XHZKJNFMCVVQRC-JKSUJKDBSA-N	0	3	339.436	-0.879	20	10		EBCDHN
COCCS(=O)(=O)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	ZINC000843298511	584075420	/nfs/dbraw/zinc/07/54/20/584075420.db2.gz	NVEXXRBSKHWQIN-CQSZACIVSA-N	0	3	343.449	-0.070	20	10		EBCDHN
C[C@H](NC(=O)C(=O)NC1CNC1)c1ccc(N2CCOCC2)cc1	ZINC000842123554	584057284	/nfs/dbraw/zinc/05/72/84/584057284.db2.gz	PANUDFCNKZKMNA-LBPRGKRZSA-N	0	3	332.404	-0.212	20	10		EBCDHN
COc1ccc(N2CCN(CCNC(=O)C(=O)NCCN)CC2)cc1	ZINC000842152503	584057872	/nfs/dbraw/zinc/05/78/72/584057872.db2.gz	ILBPAHUMDHNXMP-UHFFFAOYSA-N	0	3	349.435	-0.992	20	10		EBCDHN
CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCc1ccc(N)cc1	ZINC000842238820	584061944	/nfs/dbraw/zinc/06/19/44/584061944.db2.gz	ZDYZUSVIIDZLOE-UHFFFAOYSA-N	0	3	349.479	-0.121	20	10		EBCDHN
NC(=O)N=Nc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cc1	ZINC001153047726	831203084	/nfs/dbraw/zinc/20/30/84/831203084.db2.gz	KJCRCTRTBUWADN-LLVKDONJSA-N	0	3	346.347	-0.026	20	10		EBCDHN
C[C@H](NCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NC(N)=O	ZINC001153037985	831203689	/nfs/dbraw/zinc/20/36/89/831203689.db2.gz	XUFQKXVARAHBHX-QMMMGPOBSA-N	0	3	349.351	-0.248	20	10		EBCDHN
CNC(=O)NCC(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1	ZINC001486002218	1126943721	/nfs/dbraw/zinc/94/37/21/1126943721.db2.gz	MUFVGWKHUYDSPG-CYBMUJFWSA-N	0	3	338.408	-0.501	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc1C	ZINC001485980642	1126945834	/nfs/dbraw/zinc/94/58/34/1126945834.db2.gz	WUXZEZVJKUTIPX-ZIAGYGMSSA-N	0	3	335.404	-0.151	20	10		EBCDHN
CCOC(=O)c1cnn2c1[nH]c(CN(CCO)C[C@@H](C)O)cc2=O	ZINC000289884490	380451497	/nfs/dbraw/zinc/45/14/97/380451497.db2.gz	ROEHZWNTADZDBV-SNVBAGLBSA-N	0	3	338.364	-0.213	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc1	ZINC000832300579	583997398	/nfs/dbraw/zinc/99/73/98/583997398.db2.gz	ZMFKCGPRMCBWSS-ZDUSSCGKSA-N	0	3	331.376	-0.018	20	10		EBCDHN
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](C)C(N)=O)CC2)cc1	ZINC001335367997	842268273	/nfs/dbraw/zinc/26/82/73/842268273.db2.gz	OJINXQZNYJMJKG-ZFWWWQNUSA-N	0	3	336.436	-0.359	20	10		EBCDHN
COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc1C	ZINC001485980641	1126945715	/nfs/dbraw/zinc/94/57/15/1126945715.db2.gz	WUXZEZVJKUTIPX-UONOGXRCSA-N	0	3	335.404	-0.151	20	10		EBCDHN
C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	ZINC000832282300	583997110	/nfs/dbraw/zinc/99/71/10/583997110.db2.gz	YNQJPNRXXKXLMO-GXFFZTMASA-N	0	3	328.438	-0.194	20	10		EBCDHN
C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	ZINC000832282303	583997203	/nfs/dbraw/zinc/99/72/03/583997203.db2.gz	YNQJPNRXXKXLMO-MFKMUULPSA-N	0	3	328.438	-0.194	20	10		EBCDHN
COc1ccc(N2CCN(S(=O)(=O)N3CCNCC3)CC2)cc1	ZINC000320082559	649995722	/nfs/dbraw/zinc/99/57/22/649995722.db2.gz	WFEXYEWXMNFBLA-UHFFFAOYSA-N	0	3	340.449	-0.033	20	10		EBCDHN
O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc2c(cc1[O-])OCO2	ZINC000903967617	582824064	/nfs/dbraw/zinc/82/40/64/582824064.db2.gz	DLHGLSCLYUQOPA-NSHDSACASA-N	0	3	328.390	-0.013	20	10		EBCDHN
CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CNCCO3)ccc21	ZINC000842150396	584057831	/nfs/dbraw/zinc/05/78/31/584057831.db2.gz	QXAWNDLIJLQYBK-OAHLLOKOSA-N	0	3	346.431	-0.210	20	10		EBCDHN
COc1ccc(N2CCN(C[C@H](O)CNC[C@H](O)CO)CC2)cc1	ZINC000843064229	584070849	/nfs/dbraw/zinc/07/08/49/584070849.db2.gz	XHZKJNFMCVVQRC-CVEARBPZSA-N	0	3	339.436	-0.879	20	10		EBCDHN
COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc1C	ZINC001486023540	1126975327	/nfs/dbraw/zinc/97/53/27/1126975327.db2.gz	TWJXWCSXFYMTHP-ZIAGYGMSSA-N	0	3	335.404	-0.294	20	10		EBCDHN
C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	ZINC000832282307	583997091	/nfs/dbraw/zinc/99/70/91/583997091.db2.gz	YNQJPNRXXKXLMO-ZWNOBZJWSA-N	0	3	328.438	-0.194	20	10		EBCDHN
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1	ZINC000846663363	584129646	/nfs/dbraw/zinc/12/96/46/584129646.db2.gz	GVHQUDSDJUGCSR-QWHCGFSZSA-N	0	3	326.422	-0.440	20	10		EBCDHN
Cc1nn(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c(=O)n1C	ZINC000848393883	584156529	/nfs/dbraw/zinc/15/65/29/584156529.db2.gz	KPXMLHNVLCJZKP-AWEZNQCLSA-N	0	3	332.408	-0.228	20	10		EBCDHN
COC[C@]1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CNCCO1	ZINC000876506911	584517614	/nfs/dbraw/zinc/51/76/14/584517614.db2.gz	QIZOQOPOUNAJNS-WBVHZDCISA-N	0	3	336.436	-0.126	20	10		EBCDHN
CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2CNOC2)N(C)C)cc1	ZINC000911465114	650186530	/nfs/dbraw/zinc/18/65/30/650186530.db2.gz	QIZQGSMOOKRSDW-ZFWWWQNUSA-N	0	3	349.435	-0.509	20	10		EBCDHN