smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)c2cccs2)o1	ZINC000735938859	944717988	/nfs/dbraw/zinc/71/79/88/944717988.db2.gz	FFHAPYQWRUDCPB-MRVPVSSYSA-N	0	1	347.404	2.286	20	50		EEGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](CCC(=O)NCC(=O)[O-])C1	ZINC001590451511	990013904	/nfs/dbraw/zinc/01/39/04/990013904.db2.gz	MOOGEXIQTFDFIF-CYBMUJFWSA-N	0	1	344.528	2.064	20	50		EEGDMN
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833488139	605745824	/nfs/dbraw/zinc/74/58/24/605745824.db2.gz	IIRBYFRPUBHIOT-AWEZNQCLSA-N	0	1	348.447	2.379	20	50		EEGDMN
C[N@@H+]1C[C@H](OC(=O)CCCC[C@H]2CCSS2)C[C@H]1C(=O)[O-]	ZINC001598575738	993271590	/nfs/dbraw/zinc/27/15/90/993271590.db2.gz	VPWWIGRDRPMGAU-WOPDTQHZSA-N	0	1	333.475	2.401	20	50		EEGDMN
C[N@H+]1C[C@H](OC(=O)CCCC[C@H]2CCSS2)C[C@H]1C(=O)[O-]	ZINC001598575738	993271595	/nfs/dbraw/zinc/27/15/95/993271595.db2.gz	VPWWIGRDRPMGAU-WOPDTQHZSA-N	0	1	333.475	2.401	20	50		EEGDMN
O=C(CCC1CCCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)s1	ZINC000822950705	946230327	/nfs/dbraw/zinc/23/03/27/946230327.db2.gz	YDAPEXCQOLYHHB-UHFFFAOYSA-N	0	1	348.432	2.050	20	50		EEGDMN
CCCCCC[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595708725	982286310	/nfs/dbraw/zinc/28/63/10/982286310.db2.gz	DKXWRUGIDOFAFA-UHFFFAOYSA-N	0	1	325.384	2.479	20	50		EEGDMN
CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833499086	605743032	/nfs/dbraw/zinc/74/30/32/605743032.db2.gz	IFHKWLOQQYJOAY-ZDUSSCGKSA-N	0	1	334.420	2.131	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2C[C@@H](C)C[C@H](C)C2)o1	ZINC000824877202	609151177	/nfs/dbraw/zinc/15/11/77/609151177.db2.gz	WONAYFNPYMOFTR-UWVGGRQHSA-N	0	1	347.423	2.494	20	50		EEGDMN
CCCCCC[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595709252	982291032	/nfs/dbraw/zinc/29/10/32/982291032.db2.gz	YGDMETPUIRXHIM-UHFFFAOYSA-N	0	1	325.384	2.479	20	50		EEGDMN
C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCO[Si](C)(C)C(C)(C)C	ZINC001594525328	986034299	/nfs/dbraw/zinc/03/42/99/986034299.db2.gz	JPJHGONOPFNIBP-CQSZACIVSA-N	0	1	330.545	2.489	20	50		EEGDMN
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595737307	982391394	/nfs/dbraw/zinc/39/13/94/982391394.db2.gz	VEIWNUQOJWRPIB-LLVKDONJSA-N	0	1	340.399	2.270	20	50		EEGDMN
C[NH+](C)[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1	ZINC001598162538	990661270	/nfs/dbraw/zinc/66/12/70/990661270.db2.gz	HACPMIZHTRYNAB-QGZVFWFLSA-N	0	1	327.384	2.060	20	50		EEGDMN
CCC[N@H+]1CCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595911921	983002927	/nfs/dbraw/zinc/00/29/27/983002927.db2.gz	ASEPRJCQDSHBKT-ZDUSSCGKSA-N	0	1	334.420	2.194	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)c2cccs2)o1	ZINC000735938860	944717814	/nfs/dbraw/zinc/71/78/14/944717814.db2.gz	FFHAPYQWRUDCPB-QMMMGPOBSA-N	0	1	347.404	2.286	20	50		EEGDMN
COc1cc(C[N@H+](CC(=O)[O-])C[C@@H]2[C@H](C)[C@@H]2Cl)cc(OC)c1	ZINC001599406077	997303707	/nfs/dbraw/zinc/30/37/07/997303707.db2.gz	WOINQTHWTFXIFJ-JJMVLAAESA-N	0	1	327.808	2.464	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CC[C@@H](C)C2)o1	ZINC000820678187	945522258	/nfs/dbraw/zinc/52/22/58/945522258.db2.gz	TULSYAIZNIULPR-YIXGCBLDSA-N	0	1	331.380	2.168	20	50		EEGDMN
COc1cc(C[N@H+](CC(=O)[O-])C[C@@H]2[C@@H](C)[C@@H]2Cl)cc(OC)c1	ZINC001599406076	997304590	/nfs/dbraw/zinc/30/45/90/997304590.db2.gz	WOINQTHWTFXIFJ-HQQWDMGQSA-N	0	1	327.808	2.464	20	50		EEGDMN
C[N@@H+]1C[C@H](OC(=O)CCCC[C@@H]2CCSS2)C[C@H]1C(=O)[O-]	ZINC001598575737	993272237	/nfs/dbraw/zinc/27/22/37/993272237.db2.gz	VPWWIGRDRPMGAU-UTUOFQBUSA-N	0	1	333.475	2.401	20	50		EEGDMN
C[N@H+]1C[C@H](OC(=O)CCCC[C@@H]2CCSS2)C[C@H]1C(=O)[O-]	ZINC001598575737	993272244	/nfs/dbraw/zinc/27/22/44/993272244.db2.gz	VPWWIGRDRPMGAU-UTUOFQBUSA-N	0	1	333.475	2.401	20	50		EEGDMN
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNc3cccc(F)c3C(=O)[O-])C[N@H+]2C1	ZINC001594287095	999110799	/nfs/dbraw/zinc/11/07/99/999110799.db2.gz	TXIAHZQUKBIGHP-IJLUTSLNSA-N	0	1	335.379	2.087	20	50		EEGDMN
CC(C)CC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000820050508	945337547	/nfs/dbraw/zinc/33/75/47/945337547.db2.gz	AWZWPKGRUGCHLG-UHFFFAOYSA-N	0	1	335.412	2.494	20	50		EEGDMN
COc1cc(C[N@H+](CC(=O)[O-])C[C@H]2[C@H](Cl)[C@H]2C)cc(OC)c1	ZINC001599406075	997303874	/nfs/dbraw/zinc/30/38/74/997303874.db2.gz	WOINQTHWTFXIFJ-DRZCJDIDSA-N	0	1	327.808	2.464	20	50		EEGDMN
C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C	ZINC000833613575	605742398	/nfs/dbraw/zinc/74/23/98/605742398.db2.gz	AQGPWUFEXCWTEU-QWHCGFSZSA-N	0	1	334.420	2.274	20	50		EEGDMN
CC[N@H+]1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001596425869	984078993	/nfs/dbraw/zinc/07/89/93/984078993.db2.gz	ZPJNKSRZLSVQPJ-NSHDSACASA-N	0	1	338.383	2.024	20	50		EEGDMN
C[N@H+](CCc1ccccc1)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001598501061	992435761	/nfs/dbraw/zinc/43/57/61/992435761.db2.gz	BWMRYQWQGFQNRF-UHFFFAOYSA-N	0	1	345.374	2.142	20	50		EEGDMN
C[N@@H+](CCc1ccccc1)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001598501061	992435768	/nfs/dbraw/zinc/43/57/68/992435768.db2.gz	BWMRYQWQGFQNRF-UHFFFAOYSA-N	0	1	345.374	2.142	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)c2ccsc2)o1	ZINC000735939351	944722946	/nfs/dbraw/zinc/72/29/46/944722946.db2.gz	NLUTUSRQOISQGG-QMMMGPOBSA-N	0	1	347.404	2.286	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)o1	ZINC001574424115	948839989	/nfs/dbraw/zinc/83/99/89/948839989.db2.gz	FMLUQYAKRRPBIU-OUAUKWLOSA-N	0	1	343.391	2.024	20	50		EEGDMN
C[N@@H+](C[C@H](CBr)C1CC1)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598426579	991782236	/nfs/dbraw/zinc/78/22/36/991782236.db2.gz	VAVQSXVWYBGBCA-WCQYABFASA-N	0	1	334.254	2.362	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CC[C@H](C)C2)o1	ZINC000820678184	945520904	/nfs/dbraw/zinc/52/09/04/945520904.db2.gz	TULSYAIZNIULPR-HZAKCSEPSA-N	0	1	331.380	2.168	20	50		EEGDMN
CC[N@H+]1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001596425868	984078687	/nfs/dbraw/zinc/07/86/87/984078687.db2.gz	ZPJNKSRZLSVQPJ-LLVKDONJSA-N	0	1	338.383	2.024	20	50		EEGDMN
O=C(CCC1CCCCC1)NNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC000822950623	946231765	/nfs/dbraw/zinc/23/17/65/946231765.db2.gz	VOAPZDBUCDNUMT-UHFFFAOYSA-N	0	1	348.432	2.050	20	50		EEGDMN
Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)ccc1F	ZINC000737236964	945017763	/nfs/dbraw/zinc/01/77/63/945017763.db2.gz	WJTXYUPXRPIPDI-UHFFFAOYSA-N	0	1	345.338	2.183	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2CC[C@H](C)C2)o1	ZINC000820685203	945526185	/nfs/dbraw/zinc/52/61/85/945526185.db2.gz	TUTHVJQIGYZERP-VHSXEESVSA-N	0	1	333.396	2.248	20	50		EEGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)[O-]	ZINC001588739259	961146380	/nfs/dbraw/zinc/14/63/80/961146380.db2.gz	JGYORCMCDYBTMT-ZDUSSCGKSA-N	0	1	344.528	2.064	20	50		EEGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)[O-]	ZINC001588739259	961146384	/nfs/dbraw/zinc/14/63/84/961146384.db2.gz	JGYORCMCDYBTMT-ZDUSSCGKSA-N	0	1	344.528	2.064	20	50		EEGDMN
C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCO[Si](C)(C)C(C)(C)C	ZINC001594525319	986033614	/nfs/dbraw/zinc/03/36/14/986033614.db2.gz	JPJHGONOPFNIBP-AWEZNQCLSA-N	0	1	330.545	2.489	20	50		EEGDMN
O=C([O-])[C@@H]1CC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000819286989	955441017	/nfs/dbraw/zinc/44/10/17/955441017.db2.gz	LSHBIOVJTKJGAT-MRXNPFEDSA-N	0	1	343.363	2.407	20	50		EEGDMN
CC(C)C[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000735761943	944699129	/nfs/dbraw/zinc/69/91/29/944699129.db2.gz	SELPSZGYXUAORE-JTQLQIEISA-N	0	1	335.412	2.494	20	50		EEGDMN
Cc1cccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1F	ZINC000822284595	946044194	/nfs/dbraw/zinc/04/41/94/946044194.db2.gz	WOKMJZOSQROFJJ-UHFFFAOYSA-N	0	1	345.338	2.183	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001589805562	988221617	/nfs/dbraw/zinc/22/16/17/988221617.db2.gz	FPBOQJUWTNCFEY-NSHDSACASA-N	0	1	338.383	2.023	20	50		EEGDMN
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNc3cccc(F)c3C(=O)[O-])C[N@H+]2C1	ZINC001594287091	999110968	/nfs/dbraw/zinc/11/09/68/999110968.db2.gz	TXIAHZQUKBIGHP-GRYCIOLGSA-N	0	1	335.379	2.087	20	50		EEGDMN
CC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)(C)C	ZINC000819763752	945283295	/nfs/dbraw/zinc/28/32/95/945283295.db2.gz	CIJDQEGFCAUSJX-CLFYSBASSA-N	0	1	333.396	2.414	20	50		EEGDMN
C[N@@H+](CCCCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CC1	ZINC001598476295	992083223	/nfs/dbraw/zinc/08/32/23/992083223.db2.gz	NSAWAXYODWKREX-UHFFFAOYSA-N	0	1	338.383	2.024	20	50		EEGDMN
Cc1ccc([C@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)o1	ZINC000822227821	946007886	/nfs/dbraw/zinc/00/78/86/946007886.db2.gz	WYXSMQICYOBOGU-VIFPVBQESA-N	0	1	345.363	2.126	20	50		EEGDMN
CC[NH+](CC)[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1	ZINC001573878002	961260958	/nfs/dbraw/zinc/26/09/58/961260958.db2.gz	NSPOBOCBXSCVOD-OAHLLOKOSA-N	0	1	342.399	2.306	20	50		EEGDMN
COc1cccc(C(=O)[O-])c1C[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC001599645135	994414638	/nfs/dbraw/zinc/41/46/38/994414638.db2.gz	NYEDNSUALMKIKF-PJXYFTJBSA-N	0	1	326.190	2.219	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCC[C@@H](C)C2)o1	ZINC000736244981	944776860	/nfs/dbraw/zinc/77/68/60/944776860.db2.gz	QMIABKNECHNKQZ-NXEZZACHSA-N	0	1	333.396	2.248	20	50		EEGDMN
CCc1cc(C)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)o1	ZINC000821469358	945703325	/nfs/dbraw/zinc/70/33/25/945703325.db2.gz	DDAYPUOKBSDQGL-UHFFFAOYSA-N	0	1	345.363	2.199	20	50		EEGDMN
CC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)(C)C	ZINC000819763753	945283154	/nfs/dbraw/zinc/28/31/54/945283154.db2.gz	CIJDQEGFCAUSJX-VQHVLOKHSA-N	0	1	333.396	2.414	20	50		EEGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)[O-]	ZINC001588739258	961147074	/nfs/dbraw/zinc/14/70/74/961147074.db2.gz	JGYORCMCDYBTMT-CYBMUJFWSA-N	0	1	344.528	2.064	20	50		EEGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)[O-]	ZINC001588739258	961147092	/nfs/dbraw/zinc/14/70/92/961147092.db2.gz	JGYORCMCDYBTMT-CYBMUJFWSA-N	0	1	344.528	2.064	20	50		EEGDMN
CCCCCC[C@@](O)(C[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1)C(=O)[O-]	ZINC001595702006	982260371	/nfs/dbraw/zinc/26/03/71/982260371.db2.gz	ACJXWLXGFQRTHK-OWTLIXCDSA-N	0	1	334.254	2.098	20	50		EEGDMN
C[NH+](C)[C@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1	ZINC001598163607	990671523	/nfs/dbraw/zinc/67/15/23/990671523.db2.gz	UVNSLPDBMJYRLG-HNNXBMFYSA-N	0	1	331.347	2.270	20	50		EEGDMN
COc1cc(C[N@H+](CC(=O)[O-])C[C@@H]2[C@@H](C)[C@H]2Cl)cc(OC)c1	ZINC001599406078	997304868	/nfs/dbraw/zinc/30/48/68/997304868.db2.gz	WOINQTHWTFXIFJ-QSGSBWRWSA-N	0	1	327.808	2.464	20	50		EEGDMN
CC[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001596424985	984071061	/nfs/dbraw/zinc/07/10/61/984071061.db2.gz	NPSVILZUGVGFRX-ZDUSSCGKSA-N	0	1	325.796	2.356	20	50		EEGDMN
C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C	ZINC000833613578	605742306	/nfs/dbraw/zinc/74/23/06/605742306.db2.gz	AQGPWUFEXCWTEU-STQMWFEESA-N	0	1	334.420	2.274	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001589814104	988241544	/nfs/dbraw/zinc/24/15/44/988241544.db2.gz	CXEJVCBLRCTJEY-SNVBAGLBSA-N	0	1	338.383	2.023	20	50		EEGDMN
COc1cccc([C@@H](C(=O)[O-])[N@@H+]2C[C@@H]3[C@@H](Br)[C@@H]3C2)c1	ZINC001599650336	994488455	/nfs/dbraw/zinc/48/84/55/994488455.db2.gz	LANLRINHWMRPCC-LOWDOPEQSA-N	0	1	326.190	2.146	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCC[C@H](C)C2)o1	ZINC000736244982	944776513	/nfs/dbraw/zinc/77/65/13/944776513.db2.gz	QMIABKNECHNKQZ-UWVGGRQHSA-N	0	1	333.396	2.248	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCC[C@@H](C)C2)o1	ZINC000736244984	944776066	/nfs/dbraw/zinc/77/60/66/944776066.db2.gz	QMIABKNECHNKQZ-ZJUUUORDSA-N	0	1	333.396	2.248	20	50		EEGDMN
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001598593324	993467820	/nfs/dbraw/zinc/46/78/20/993467820.db2.gz	LEQULGMAMXTOCU-AWEZNQCLSA-N	0	1	334.420	2.131	20	50		EEGDMN
CCc1[nH+]ccn1[C@@H](C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001597706544	988952704	/nfs/dbraw/zinc/95/27/04/988952704.db2.gz	UBIISXNCMZIYLR-JTQLQIEISA-N	0	1	334.351	2.377	20	50		EEGDMN
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNc3cccc(F)c3C(=O)[O-])C[N@H+]2C1	ZINC001594287096	999110816	/nfs/dbraw/zinc/11/08/16/999110816.db2.gz	TXIAHZQUKBIGHP-UTUOFQBUSA-N	0	1	335.379	2.087	20	50		EEGDMN
CCc1oc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)cc1C	ZINC000821558985	945714837	/nfs/dbraw/zinc/71/48/37/945714837.db2.gz	NMBPPBIJWSMGID-UHFFFAOYSA-N	0	1	345.363	2.199	20	50		EEGDMN
CC(C)C[N@@H+](C)CCCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591287442	992230371	/nfs/dbraw/zinc/23/03/71/992230371.db2.gz	RZXSKSMMWJNQKE-UHFFFAOYSA-N	0	1	340.399	2.128	20	50		EEGDMN
C[N@H+]1CCN(C(=O)CCCC[C@H]2CCSS2)C[C@H](C(=O)[O-])C1	ZINC001598606251	993664468	/nfs/dbraw/zinc/66/44/68/993664468.db2.gz	VFLUDLPATBQMLO-OLZOCXBDSA-N	0	1	346.518	2.175	20	50		EEGDMN
CC[C@@H]1[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC[N@H+]1C	ZINC001597308773	987426045	/nfs/dbraw/zinc/42/60/45/987426045.db2.gz	CWGUNRJOILHEQG-WCQYABFASA-N	0	1	325.796	2.212	20	50		EEGDMN
CCc1[nH+]ccn1[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001597705432	988944965	/nfs/dbraw/zinc/94/49/65/988944965.db2.gz	BGUAEXXUALXUMG-SNVBAGLBSA-N	0	1	334.351	2.377	20	50		EEGDMN
CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNc2ccc(CC(=O)[O-])cc2)C1	ZINC001591625008	992914959	/nfs/dbraw/zinc/91/49/59/992914959.db2.gz	YJNMEBBHFQDGEH-HNNXBMFYSA-N	0	1	348.447	2.060	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2C(C)(C)C2(C)C)o1	ZINC000820202420	945374138	/nfs/dbraw/zinc/37/41/38/945374138.db2.gz	HZQPGGWOPCJSHW-UHFFFAOYSA-N	0	1	333.396	2.103	20	50		EEGDMN
CC=C(C=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)CC	ZINC000820828032	945563241	/nfs/dbraw/zinc/56/32/41/945563241.db2.gz	ZMGJEGDGGDLMFX-LZIZUESTSA-N	0	1	331.380	2.334	20	50		EEGDMN
C[C@H](CC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccccc1F	ZINC001574509814	950530608	/nfs/dbraw/zinc/53/06/08/950530608.db2.gz	YLBJEZDERQGTJI-SNVBAGLBSA-N	0	1	341.350	2.038	20	50		EEGDMN
C[N@@H+](C[C@@H](CBr)C1CC1)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598426580	991782536	/nfs/dbraw/zinc/78/25/36/991782536.db2.gz	VAVQSXVWYBGBCA-YPMHNXCESA-N	0	1	334.254	2.362	20	50		EEGDMN
CCCCCC[C@](O)(C[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1)C(=O)[O-]	ZINC001595702007	982259725	/nfs/dbraw/zinc/25/97/25/982259725.db2.gz	ACJXWLXGFQRTHK-SFTQSGBHSA-N	0	1	334.254	2.098	20	50		EEGDMN
C[NH+](C)[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1	ZINC001598162536	990661578	/nfs/dbraw/zinc/66/15/78/990661578.db2.gz	HACPMIZHTRYNAB-KRWDZBQOSA-N	0	1	327.384	2.060	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(F)=C2CCCC2)o1	ZINC000820203605	945380542	/nfs/dbraw/zinc/38/05/42/945380542.db2.gz	VYSYLHNZPNWJGK-UHFFFAOYSA-N	0	1	335.343	2.219	20	50		EEGDMN
CCC[N@@H+](CC)C[C@H](C)NC(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001595866910	982831339	/nfs/dbraw/zinc/83/13/39/982831339.db2.gz	FSCKYPRNVMOMMH-ZDUSSCGKSA-N	0	1	336.436	2.060	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C1	ZINC001589806850	988234108	/nfs/dbraw/zinc/23/41/08/988234108.db2.gz	VEJJSGMHTUCQDL-NSHDSACASA-N	0	1	338.383	2.023	20	50		EEGDMN
C[N@@H+](CCNC(=O)NNc1cccc(C(=O)[O-])c1)Cc1ccccc1	ZINC000833693758	605742404	/nfs/dbraw/zinc/74/24/04/605742404.db2.gz	QFYNBAQKEDQLPJ-UHFFFAOYSA-N	0	1	342.399	2.143	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2CCCCCC2)o1	ZINC000735938587	944717619	/nfs/dbraw/zinc/71/76/19/944717619.db2.gz	BNYPMILYEQVSBU-UHFFFAOYSA-N	0	1	333.396	2.392	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C1	ZINC001589806848	988235120	/nfs/dbraw/zinc/23/51/20/988235120.db2.gz	VEJJSGMHTUCQDL-LLVKDONJSA-N	0	1	338.383	2.023	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CCC(C)(C)C2)o1	ZINC000824353011	609412859	/nfs/dbraw/zinc/41/28/59/609412859.db2.gz	TZPSYODBJZNCQH-VIFPVBQESA-N	0	1	333.396	2.248	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NNc2cccc(C(=O)[O-])c2F)C1	ZINC001589805264	988219706	/nfs/dbraw/zinc/21/97/06/988219706.db2.gz	AEZKKUBCPYPVMC-INIZCTEOSA-N	0	1	341.358	2.180	20	50		EEGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001590451482	990012951	/nfs/dbraw/zinc/01/29/51/990012951.db2.gz	LNERUNYHLJZAJD-XJKSGUPXSA-N	0	1	329.513	2.431	20	50		EEGDMN
CCC(CC)[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825097362	608060246	/nfs/dbraw/zinc/06/02/46/608060246.db2.gz	VXBWLJDIZHVPPT-SECBINFHSA-N	0	1	335.412	2.494	20	50		EEGDMN
CC[C@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	ZINC000736335147	944805429	/nfs/dbraw/zinc/80/54/29/944805429.db2.gz	YKBGXPACQZOTLX-SNVBAGLBSA-N	0	1	335.412	2.494	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2CC23CCCC3)o1	ZINC000820203032	945378117	/nfs/dbraw/zinc/37/81/17/945378117.db2.gz	OQCYXYOSAJQKBT-SECBINFHSA-N	0	1	331.380	2.002	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCC(C)(C)C2)o1	ZINC000824353010	609413399	/nfs/dbraw/zinc/41/33/99/609413399.db2.gz	TZPSYODBJZNCQH-SECBINFHSA-N	0	1	333.396	2.248	20	50		EEGDMN
C[C@H](C(=O)[O-])[N@@H+](C)CCP(=O)(c1ccccc1)c1ccccc1	ZINC000817779494	955366053	/nfs/dbraw/zinc/36/60/53/955366053.db2.gz	QCZUOIPJGYFUAW-OAHLLOKOSA-N	0	1	331.352	2.405	20	50		EEGDMN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](CCC(=O)NCC(=O)[O-])C1	ZINC001590451518	990013990	/nfs/dbraw/zinc/01/39/90/990013990.db2.gz	MOOGEXIQTFDFIF-ZDUSSCGKSA-N	0	1	344.528	2.064	20	50		EEGDMN
CCc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000821491886	945707527	/nfs/dbraw/zinc/70/75/27/945707527.db2.gz	AWMXPQKGFCBKRG-UHFFFAOYSA-N	0	1	341.375	2.297	20	50		EEGDMN
C[N@@H+]1C[C@H](OC(=O)CCCC[C@H]2CCSS2)C[C@@H]1C(=O)[O-]	ZINC001598575733	993271859	/nfs/dbraw/zinc/27/18/59/993271859.db2.gz	VPWWIGRDRPMGAU-GRYCIOLGSA-N	0	1	333.475	2.401	20	50		EEGDMN
C[N@H+]1C[C@H](OC(=O)CCCC[C@H]2CCSS2)C[C@@H]1C(=O)[O-]	ZINC001598575733	993271864	/nfs/dbraw/zinc/27/18/64/993271864.db2.gz	VPWWIGRDRPMGAU-GRYCIOLGSA-N	0	1	333.475	2.401	20	50		EEGDMN
Cc1cc(F)cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000822203302	945988258	/nfs/dbraw/zinc/98/82/58/945988258.db2.gz	NHMOJIJBKNMNLF-UHFFFAOYSA-N	0	1	345.338	2.183	20	50		EEGDMN
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NNc2ccccc2C(=O)[O-])C1	ZINC001598628246	994132535	/nfs/dbraw/zinc/13/25/35/994132535.db2.gz	OZJFBCVOERISSH-JKSUJKDBSA-N	0	1	339.395	2.173	20	50		EEGDMN
COC[C@@]1(C(=O)[O-])CCCC[N@H+]1C[C@H](CBr)C1CC1	ZINC001599187710	997057442	/nfs/dbraw/zinc/05/74/42/997057442.db2.gz	IAIOIAFDVXQCLL-GXTWGEPZSA-N	0	1	334.254	2.363	20	50		EEGDMN
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613248	605742282	/nfs/dbraw/zinc/74/22/82/605742282.db2.gz	FTHGZMUVRZNEJI-STQMWFEESA-N	0	1	334.420	2.131	20	50		EEGDMN
C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@H]1C	ZINC000833613571	605742420	/nfs/dbraw/zinc/74/24/20/605742420.db2.gz	AQGPWUFEXCWTEU-CHWSQXEVSA-N	0	1	334.420	2.274	20	50		EEGDMN
O=C([O-])CC[N@@H+](C[C@H](CBr)C1CC1)C1CCOCC1	ZINC001606188746	973434728	/nfs/dbraw/zinc/43/47/28/973434728.db2.gz	QDELXAAKMABKJA-LBPRGKRZSA-N	0	1	334.254	2.363	20	50		EEGDMN
CC[N@H+](C)[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1	ZINC001596192261	983568192	/nfs/dbraw/zinc/56/81/92/983568192.db2.gz	UQOVDEQGISJTTL-SFHVURJKSA-N	0	1	341.411	2.450	20	50		EEGDMN
CC[N@@H+](C)[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1	ZINC001596192261	983568194	/nfs/dbraw/zinc/56/81/94/983568194.db2.gz	UQOVDEQGISJTTL-SFHVURJKSA-N	0	1	341.411	2.450	20	50		EEGDMN
Cc1c(C(=O)NNc2cccc(C(=O)[O-])c2)cnn1-c1cc[nH+]cc1	ZINC001599982144	986179112	/nfs/dbraw/zinc/17/91/12/986179112.db2.gz	LBVSDQGMUDZFPP-UHFFFAOYSA-N	0	1	337.339	2.031	20	50		EEGDMN
COc1cccc([C@H](C(=O)[O-])[N@@H+]2C[C@@H]3[C@@H](Br)[C@@H]3C2)c1	ZINC001599650337	994488825	/nfs/dbraw/zinc/48/88/25/994488825.db2.gz	LANLRINHWMRPCC-MROQNXINSA-N	0	1	326.190	2.146	20	50		EEGDMN
CC(C)[N@H+]1CCC[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833499083	605743161	/nfs/dbraw/zinc/74/31/61/605743161.db2.gz	IFHKWLOQQYJOAY-CYBMUJFWSA-N	0	1	334.420	2.131	20	50		EEGDMN
C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1	ZINC000833612724	605742424	/nfs/dbraw/zinc/74/24/24/605742424.db2.gz	BNFGGUWPWWKOES-STQMWFEESA-N	0	1	334.420	2.131	20	50		EEGDMN
C=CCC(CC=C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000819734363	945275991	/nfs/dbraw/zinc/27/59/91/945275991.db2.gz	NBNDMLVWYMAZRS-UHFFFAOYSA-N	0	1	331.380	2.190	20	50		EEGDMN
C[N@@H+](CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCCC1	ZINC001598491175	992293543	/nfs/dbraw/zinc/29/35/43/992293543.db2.gz	TTZWUVYEBDIVBZ-UHFFFAOYSA-N	0	1	338.383	2.024	20	50		EEGDMN
C=C(CBr)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001588606348	983697113	/nfs/dbraw/zinc/69/71/13/983697113.db2.gz	YBIMROFTTVMYRZ-UONOGXRCSA-N	0	1	340.217	2.443	20	50		EEGDMN
Cc1scc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1C	ZINC000826350288	608302106	/nfs/dbraw/zinc/30/21/06/608302106.db2.gz	PJRFRUILRVNOLF-UHFFFAOYSA-N	0	1	347.404	2.413	20	50		EEGDMN
CC(=NNC(=O)c1ccc(C[NH+](C)C)o1)c1ccc(C(=O)[O-])cc1	ZINC000825804577	978941734	/nfs/dbraw/zinc/94/17/34/978941734.db2.gz	MPBNCVOHUGPHES-UHFFFAOYSA-N	0	1	329.356	2.193	20	50		EEGDMN
CSc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)o1	ZINC000737193746	944980480	/nfs/dbraw/zinc/98/04/80/944980480.db2.gz	WACGSHMCGYIOGG-UHFFFAOYSA-N	0	1	349.376	2.050	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1	ZINC001589805560	988220991	/nfs/dbraw/zinc/22/09/91/988220991.db2.gz	FPBOQJUWTNCFEY-LLVKDONJSA-N	0	1	338.383	2.023	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)c2ccsc2)o1	ZINC000735939350	944721670	/nfs/dbraw/zinc/72/16/70/944721670.db2.gz	NLUTUSRQOISQGG-MRVPVSSYSA-N	0	1	347.404	2.286	20	50		EEGDMN
CC[C@@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	ZINC000736335145	944805112	/nfs/dbraw/zinc/80/51/12/944805112.db2.gz	YKBGXPACQZOTLX-JTQLQIEISA-N	0	1	335.412	2.494	20	50		EEGDMN
Cc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c(F)c1	ZINC000822226507	946006016	/nfs/dbraw/zinc/00/60/16/946006016.db2.gz	VYPKEYVJLOLEAC-UHFFFAOYSA-N	0	1	345.338	2.183	20	50		EEGDMN
CC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001596424983	984070474	/nfs/dbraw/zinc/07/04/74/984070474.db2.gz	NPSVILZUGVGFRX-CYBMUJFWSA-N	0	1	325.796	2.356	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(F)c2F)o1	ZINC000735940106	944723916	/nfs/dbraw/zinc/72/39/16/944723916.db2.gz	WAJREWQVLJEESY-UHFFFAOYSA-N	0	1	349.301	2.013	20	50		EEGDMN
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595867090	982831478	/nfs/dbraw/zinc/83/14/78/982831478.db2.gz	HSFDGYIUROSPSG-LLVKDONJSA-N	0	1	340.399	2.270	20	50		EEGDMN
C[NH+](C)[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1	ZINC001598163608	990671433	/nfs/dbraw/zinc/67/14/33/990671433.db2.gz	UVNSLPDBMJYRLG-OAHLLOKOSA-N	0	1	331.347	2.270	20	50		EEGDMN
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595737155	982388999	/nfs/dbraw/zinc/38/89/99/982388999.db2.gz	MFFNFWYMWJWOBA-LLVKDONJSA-N	0	1	340.399	2.270	20	50		EEGDMN
C[N@@H+]1C[C@H](OC(=O)CCCC[C@@H]2CCSS2)C[C@@H]1C(=O)[O-]	ZINC001598575735	993272004	/nfs/dbraw/zinc/27/20/04/993272004.db2.gz	VPWWIGRDRPMGAU-IJLUTSLNSA-N	0	1	333.475	2.401	20	50		EEGDMN
C[N@H+]1C[C@H](OC(=O)CCCC[C@@H]2CCSS2)C[C@@H]1C(=O)[O-]	ZINC001598575735	993272007	/nfs/dbraw/zinc/27/20/07/993272007.db2.gz	VPWWIGRDRPMGAU-IJLUTSLNSA-N	0	1	333.475	2.401	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)C2CCCC2)o1	ZINC000820203895	945380686	/nfs/dbraw/zinc/38/06/86/945380686.db2.gz	YYAYTIFUNRIXQU-VIFPVBQESA-N	0	1	333.396	2.248	20	50		EEGDMN
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613245	605742139	/nfs/dbraw/zinc/74/21/39/605742139.db2.gz	FTHGZMUVRZNEJI-QWHCGFSZSA-N	0	1	334.420	2.131	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2CC[C@@H](C)C2)o1	ZINC000820685196	945527466	/nfs/dbraw/zinc/52/74/66/945527466.db2.gz	TUTHVJQIGYZERP-NXEZZACHSA-N	0	1	333.396	2.248	20	50		EEGDMN
CC[NH+](CC)[C@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1	ZINC001573878001	961261880	/nfs/dbraw/zinc/26/18/80/961261880.db2.gz	NSPOBOCBXSCVOD-HNNXBMFYSA-N	0	1	342.399	2.306	20	50		EEGDMN
CC(C)([NH2+]CCCI)c1cc(C(=O)[O-])on1	ZINC001590870899	990773779	/nfs/dbraw/zinc/77/37/79/990773779.db2.gz	RXKAAVNUXQXUQF-UHFFFAOYSA-N	0	1	338.145	2.023	20	50		EEGDMN
CCCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CCC1	ZINC000821026930	945616757	/nfs/dbraw/zinc/61/67/57/945616757.db2.gz	HYOHYZHTQZBZKG-UHFFFAOYSA-N	0	1	333.396	2.392	20	50		EEGDMN
O=C([O-])CC[N@@H+](C[C@@H](CBr)C1CC1)C1CCOCC1	ZINC001606188745	973434628	/nfs/dbraw/zinc/43/46/28/973434628.db2.gz	QDELXAAKMABKJA-GFCCVEGCSA-N	0	1	334.254	2.363	20	50		EEGDMN
C[N@@H+](CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC001598491430	992297905	/nfs/dbraw/zinc/29/79/05/992297905.db2.gz	WPQLPNIJTDKBEN-UHFFFAOYSA-N	0	1	338.383	2.024	20	50		EEGDMN
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605052	605247773	/nfs/dbraw/zinc/24/77/73/605247773.db2.gz	WNHMPUDGMHKSOP-AOOOYVTPSA-N	0	1	325.796	2.354	20	50		EEGDMN
CN(C)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc[nH+]1	ZINC001598307450	991272735	/nfs/dbraw/zinc/27/27/35/991272735.db2.gz	UPMKUQNRJJFULH-UHFFFAOYSA-N	0	1	333.323	2.134	20	50		EEGDMN
CC(C)[N@H+]1CCC[C@H](CNC(=O)NNc2ccc(CC(=O)[O-])cc2)C1	ZINC001591625009	992915105	/nfs/dbraw/zinc/91/51/05/992915105.db2.gz	YJNMEBBHFQDGEH-OAHLLOKOSA-N	0	1	348.447	2.060	20	50		EEGDMN
COC[C@]1(C(=O)[O-])CCCC[N@H+]1C[C@H](CBr)C1CC1	ZINC001599187711	997058411	/nfs/dbraw/zinc/05/84/11/997058411.db2.gz	IAIOIAFDVXQCLL-JSGCOSHPSA-N	0	1	334.254	2.363	20	50		EEGDMN
COc1cc(C(=O)[O-])ccc1NNC(=O)CC[N@@H+](C)C1CCCCC1	ZINC001599377432	998510130	/nfs/dbraw/zinc/51/01/30/998510130.db2.gz	YVFMSYYUJDJSSO-UHFFFAOYSA-N	0	1	349.431	2.491	20	50		EEGDMN
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001594345244	999305860	/nfs/dbraw/zinc/30/58/60/999305860.db2.gz	QCGXGLMGKNJTBA-OKILXGFUSA-N	0	1	348.447	2.203	20	50		EEGDMN
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613239	605742391	/nfs/dbraw/zinc/74/23/91/605742391.db2.gz	FTHGZMUVRZNEJI-CHWSQXEVSA-N	0	1	334.420	2.131	20	50		EEGDMN
CC[N@H+]1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001596424493	984068034	/nfs/dbraw/zinc/06/80/34/984068034.db2.gz	JMCDQEZOONRDQN-ZDUSSCGKSA-N	0	1	334.420	2.194	20	50		EEGDMN
C[C@@H](C(=O)NNc1ccccc1C(=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC001589423621	986681576	/nfs/dbraw/zinc/68/15/76/986681576.db2.gz	NZNMXWAUCFDLGM-ZDUSSCGKSA-N	0	1	339.395	2.275	20	50		EEGDMN
C[C@@H](C(=O)NNc1ccccc1C(=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC001589423621	986681580	/nfs/dbraw/zinc/68/15/80/986681580.db2.gz	NZNMXWAUCFDLGM-ZDUSSCGKSA-N	0	1	339.395	2.275	20	50		EEGDMN
COC[C@]1(C(=O)[O-])CCCC[N@H+]1C[C@@H](CBr)C1CC1	ZINC001599187712	997058647	/nfs/dbraw/zinc/05/86/47/997058647.db2.gz	IAIOIAFDVXQCLL-OCCSQVGLSA-N	0	1	334.254	2.363	20	50		EEGDMN
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613242	605742024	/nfs/dbraw/zinc/74/20/24/605742024.db2.gz	FTHGZMUVRZNEJI-OLZOCXBDSA-N	0	1	334.420	2.131	20	50		EEGDMN
C[N@@H+](CCC(=O)[O-])CCP(=O)(c1ccccc1)c1ccccc1	ZINC000818463106	955399508	/nfs/dbraw/zinc/39/95/08/955399508.db2.gz	YXDNUTNESVABRW-UHFFFAOYSA-N	0	1	331.352	2.407	20	50		EEGDMN
C[N@@H+](C[C@H](CBr)C1CC1)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598426577	991782633	/nfs/dbraw/zinc/78/26/33/991782633.db2.gz	VAVQSXVWYBGBCA-AAEUAGOBSA-N	0	1	334.254	2.362	20	50		EEGDMN
Cc1ccc([C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)o1	ZINC000822227820	946008159	/nfs/dbraw/zinc/00/81/59/946008159.db2.gz	WYXSMQICYOBOGU-SECBINFHSA-N	0	1	345.363	2.126	20	50		EEGDMN
Cc1cscc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000822414898	946083170	/nfs/dbraw/zinc/08/31/70/946083170.db2.gz	ZNPQGUYPWYTAMM-UHFFFAOYSA-N	0	1	333.377	2.105	20	50		EEGDMN
CCC[N@H+]1CC[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2C)C1	ZINC001595902219	982960264	/nfs/dbraw/zinc/96/02/64/982960264.db2.gz	ASVATFHKCDYFQS-ZDUSSCGKSA-N	0	1	334.420	2.051	20	50		EEGDMN
C[N@H+]1CCN(C(=O)CCCC[C@H]2CCSS2)C[C@@H](C(=O)[O-])C1	ZINC001598606253	993664751	/nfs/dbraw/zinc/66/47/51/993664751.db2.gz	VFLUDLPATBQMLO-STQMWFEESA-N	0	1	346.518	2.175	20	50		EEGDMN
O=C([O-])CC[C@@H]1CCC[N@@H+](CCCI)C1	ZINC001601976555	971099020	/nfs/dbraw/zinc/09/90/20/971099020.db2.gz	KHNMIXUUZBKQAP-JTQLQIEISA-N	0	1	325.190	2.388	20	50		EEGDMN
CC=C(C=CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)CC	ZINC000820828030	945563599	/nfs/dbraw/zinc/56/35/99/945563599.db2.gz	ZMGJEGDGGDLMFX-GBLFQTLVSA-N	0	1	331.380	2.334	20	50		EEGDMN
CC(=Cc1ccc(C)cc1)C(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1	ZINC001573366540	947745977	/nfs/dbraw/zinc/74/59/77/947745977.db2.gz	SCCIDNJCOLYSAL-XFXZXTDPSA-N	0	1	335.371	2.117	20	50		EEGDMN
C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1	ZINC000833612721	605742394	/nfs/dbraw/zinc/74/23/94/605742394.db2.gz	BNFGGUWPWWKOES-QWHCGFSZSA-N	0	1	334.420	2.131	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2CC[C@H](C)C2)o1	ZINC000820685199	945527350	/nfs/dbraw/zinc/52/73/50/945527350.db2.gz	TUTHVJQIGYZERP-UWVGGRQHSA-N	0	1	333.396	2.248	20	50		EEGDMN
CCC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	ZINC000825225341	608120877	/nfs/dbraw/zinc/12/08/77/608120877.db2.gz	RXMHSPUIZVJZRL-SNVBAGLBSA-N	0	1	335.412	2.494	20	50		EEGDMN
CC(C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)=C1CCCC1	ZINC000819865782	945299737	/nfs/dbraw/zinc/29/97/37/945299737.db2.gz	HUKKNTKQPHZLLL-UHFFFAOYSA-N	0	1	331.380	2.312	20	50		EEGDMN
CCc1[nH+]ccn1[C@H](C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001597706545	988952467	/nfs/dbraw/zinc/95/24/67/988952467.db2.gz	UBIISXNCMZIYLR-SNVBAGLBSA-N	0	1	334.351	2.377	20	50		EEGDMN
CCC(CC)[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825097363	608060266	/nfs/dbraw/zinc/06/02/66/608060266.db2.gz	VXBWLJDIZHVPPT-VIFPVBQESA-N	0	1	335.412	2.494	20	50		EEGDMN
C[N@H+](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Cc1ccccc1	ZINC001598396359	991656579	/nfs/dbraw/zinc/65/65/79/991656579.db2.gz	DQUYDUOABGZLTQ-UHFFFAOYSA-N	0	1	331.347	2.099	20	50		EEGDMN
C[N@@H+](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Cc1ccccc1	ZINC001598396359	991656581	/nfs/dbraw/zinc/65/65/81/991656581.db2.gz	DQUYDUOABGZLTQ-UHFFFAOYSA-N	0	1	331.347	2.099	20	50		EEGDMN
C[N@H+](CCc1ccccc1)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001598501876	992446456	/nfs/dbraw/zinc/44/64/56/992446456.db2.gz	ORDRRQRXNMSOIX-UHFFFAOYSA-N	0	1	327.384	2.002	20	50		EEGDMN
C[N@@H+](CCc1ccccc1)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001598501876	992446460	/nfs/dbraw/zinc/44/64/60/992446460.db2.gz	ORDRRQRXNMSOIX-UHFFFAOYSA-N	0	1	327.384	2.002	20	50		EEGDMN
C#CCCCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000823841905	609150810	/nfs/dbraw/zinc/15/08/10/609150810.db2.gz	UVYFCWOZTYQTKV-UHFFFAOYSA-N	0	1	331.380	2.005	20	50		EEGDMN
Cc1ccc(F)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)c1	ZINC000737341849	945043832	/nfs/dbraw/zinc/04/38/32/945043832.db2.gz	AAACNGPISHIPRQ-UHFFFAOYSA-N	0	1	345.338	2.183	20	50		EEGDMN
Cc1cc(F)ccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000822205749	945990691	/nfs/dbraw/zinc/99/06/91/945990691.db2.gz	HHJQYWWQOZCXAA-UHFFFAOYSA-N	0	1	345.338	2.183	20	50		EEGDMN
C[C@H](C(=O)NNc1ccccc1C(=O)[O-])[N@@H+]1CCc2ccccc2C1	ZINC001589423620	986681608	/nfs/dbraw/zinc/68/16/08/986681608.db2.gz	NZNMXWAUCFDLGM-CYBMUJFWSA-N	0	1	339.395	2.275	20	50		EEGDMN
C[C@H](C(=O)NNc1ccccc1C(=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC001589423620	986681612	/nfs/dbraw/zinc/68/16/12/986681612.db2.gz	NZNMXWAUCFDLGM-CYBMUJFWSA-N	0	1	339.395	2.275	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NNc2cccc(C(=O)[O-])c2F)C1	ZINC001589805265	988219718	/nfs/dbraw/zinc/21/97/18/988219718.db2.gz	AEZKKUBCPYPVMC-MRXNPFEDSA-N	0	1	341.358	2.180	20	50		EEGDMN
CCC[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)C(C)C	ZINC000825225335	608120699	/nfs/dbraw/zinc/12/06/99/608120699.db2.gz	RXMHSPUIZVJZRL-JTQLQIEISA-N	0	1	335.412	2.494	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)o1	ZINC000824877200	609151571	/nfs/dbraw/zinc/15/15/71/609151571.db2.gz	WONAYFNPYMOFTR-URLYPYJESA-N	0	1	347.423	2.494	20	50		EEGDMN
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833591390	605741151	/nfs/dbraw/zinc/74/11/51/605741151.db2.gz	LPGPWHFCQZSNHJ-HZSPNIEDSA-N	0	1	348.447	2.377	20	50		EEGDMN
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833487217	605745314	/nfs/dbraw/zinc/74/53/14/605745314.db2.gz	GWHYVHRTNUKQIX-OAHLLOKOSA-N	0	1	334.420	2.131	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CC[C@H](C)C2)o1	ZINC000820678182	945521616	/nfs/dbraw/zinc/52/16/16/945521616.db2.gz	TULSYAIZNIULPR-CBFJXKFUSA-N	0	1	331.380	2.168	20	50		EEGDMN
CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[nH]n2)CCCC1	ZINC000820945461	945594038	/nfs/dbraw/zinc/59/40/38/945594038.db2.gz	UJYIORXGDHXVQT-UHFFFAOYSA-N	0	1	333.396	2.392	20	50		EEGDMN
COC[C@@]1(C(=O)[O-])CCCC[N@H+]1C[C@@H](CBr)C1CC1	ZINC001599187713	997058614	/nfs/dbraw/zinc/05/86/14/997058614.db2.gz	IAIOIAFDVXQCLL-TZMCWYRMSA-N	0	1	334.254	2.363	20	50		EEGDMN
C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1	ZINC000833612717	605741968	/nfs/dbraw/zinc/74/19/68/605741968.db2.gz	BNFGGUWPWWKOES-OLZOCXBDSA-N	0	1	334.420	2.131	20	50		EEGDMN
O=C(CCC1CCCCC1)NNC(=O)c1sccc1-c1nn[nH]n1	ZINC000737825264	945133284	/nfs/dbraw/zinc/13/32/84/945133284.db2.gz	WZTAANGOYSRBSH-UHFFFAOYSA-N	0	1	348.432	2.050	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CC2=CCCCC2)o1	ZINC000735939190	944720457	/nfs/dbraw/zinc/72/04/57/944720457.db2.gz	KULPECPTCMHKDJ-UHFFFAOYSA-N	0	1	331.380	2.312	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CC23CCCC3)o1	ZINC000820203034	945378052	/nfs/dbraw/zinc/37/80/52/945378052.db2.gz	OQCYXYOSAJQKBT-VIFPVBQESA-N	0	1	331.380	2.002	20	50		EEGDMN
C[C@@H]1C[N@H+](Cc2ccc(OCCCCl)cc2)C[C@@H](C(=O)[O-])O1	ZINC000901934044	980638290	/nfs/dbraw/zinc/63/82/90/980638290.db2.gz	OKFSMUNSBIYUKX-DOMZBBRYSA-N	0	1	327.808	2.368	20	50		EEGDMN
C[C@@H]1C[N@@H+](Cc2ccc(OCCCCl)cc2)C[C@@H](C(=O)[O-])O1	ZINC000901934044	980638294	/nfs/dbraw/zinc/63/82/94/980638294.db2.gz	OKFSMUNSBIYUKX-DOMZBBRYSA-N	0	1	327.808	2.368	20	50		EEGDMN
CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001589814102	988241383	/nfs/dbraw/zinc/24/13/83/988241383.db2.gz	CXEJVCBLRCTJEY-JTQLQIEISA-N	0	1	338.383	2.023	20	50		EEGDMN
C[N@H+]1CCN(C(=O)CCCC[C@@H]2CCSS2)C[C@H](C(=O)[O-])C1	ZINC001598606250	993664389	/nfs/dbraw/zinc/66/43/89/993664389.db2.gz	VFLUDLPATBQMLO-CHWSQXEVSA-N	0	1	346.518	2.175	20	50		EEGDMN
C[C@@H]1C[C@H]2CC[C@@H](C(=O)NNc3ccc(F)c(C(=O)[O-])c3)C[N@H+]2C1	ZINC001594282954	999094414	/nfs/dbraw/zinc/09/44/14/999094414.db2.gz	CWCOHAIXYIPIIK-NQBHXWOUSA-N	0	1	335.379	2.087	20	50		EEGDMN
C[NH+](C)[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1	ZINC001598162669	990662781	/nfs/dbraw/zinc/66/27/81/990662781.db2.gz	JCKNBPQDPMNKIL-HNNXBMFYSA-N	0	1	331.347	2.270	20	50		EEGDMN
CC(C)C[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000735761945	944699830	/nfs/dbraw/zinc/69/98/30/944699830.db2.gz	SELPSZGYXUAORE-SNVBAGLBSA-N	0	1	335.412	2.494	20	50		EEGDMN
CCC[N@H+]1CC[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2C)C1	ZINC001595902218	982960572	/nfs/dbraw/zinc/96/05/72/982960572.db2.gz	ASVATFHKCDYFQS-CYBMUJFWSA-N	0	1	334.420	2.051	20	50		EEGDMN
C[N@@H+](C[C@@H](CBr)C1CC1)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598426578	991782469	/nfs/dbraw/zinc/78/24/69/991782469.db2.gz	VAVQSXVWYBGBCA-DGCLKSJQSA-N	0	1	334.254	2.362	20	50		EEGDMN
O=C([O-])[C@H]1CC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000819286988	955440493	/nfs/dbraw/zinc/44/04/93/955440493.db2.gz	LSHBIOVJTKJGAT-INIZCTEOSA-N	0	1	343.363	2.407	20	50		EEGDMN
C[N@@H+](CCC(=O)NNc1ccc(CC(=O)[O-])cc1)C1CCCCC1	ZINC001598469692	992006044	/nfs/dbraw/zinc/00/60/44/992006044.db2.gz	JSIZSPAKZRIFJV-UHFFFAOYSA-N	0	1	333.432	2.411	20	50		EEGDMN
O=C([O-])CC[C@H]1CCC[N@@H+](CCCI)C1	ZINC001601976556	971099978	/nfs/dbraw/zinc/09/99/78/971099978.db2.gz	KHNMIXUUZBKQAP-SNVBAGLBSA-N	0	1	325.190	2.388	20	50		EEGDMN
Cc1cccc(C)c1C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000822294368	946049740	/nfs/dbraw/zinc/04/97/40/946049740.db2.gz	YFCJIVRBVNXUQC-UHFFFAOYSA-N	0	1	341.375	2.352	20	50		EEGDMN
CN(C)c1cc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc[nH+]1	ZINC001598307383	991271459	/nfs/dbraw/zinc/27/14/59/991271459.db2.gz	QFLQEQPAKJEMNF-UHFFFAOYSA-N	0	1	333.323	2.134	20	50		EEGDMN
C[C@@H]1C[C@H]2CC[C@H](C(=O)NNc3ccc(F)c(C(=O)[O-])c3)C[N@H+]2C1	ZINC001594282955	999094801	/nfs/dbraw/zinc/09/48/01/999094801.db2.gz	CWCOHAIXYIPIIK-NTZNESFSSA-N	0	1	335.379	2.087	20	50		EEGDMN
CC[N@H+](C)[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1	ZINC001596192260	983568515	/nfs/dbraw/zinc/56/85/15/983568515.db2.gz	UQOVDEQGISJTTL-GOSISDBHSA-N	0	1	341.411	2.450	20	50		EEGDMN
CC[N@@H+](C)[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1	ZINC001596192260	983568518	/nfs/dbraw/zinc/56/85/18/983568518.db2.gz	UQOVDEQGISJTTL-GOSISDBHSA-N	0	1	341.411	2.450	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccn2C(C)C)o1	ZINC000824359615	608120378	/nfs/dbraw/zinc/12/03/78/608120378.db2.gz	YKBWZXNVUGGSOO-UHFFFAOYSA-N	0	1	344.379	2.117	20	50		EEGDMN
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833591930	605741456	/nfs/dbraw/zinc/74/14/56/605741456.db2.gz	ORSPQWUJQKJMJT-OKILXGFUSA-N	0	1	348.447	2.379	20	50		EEGDMN
C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@H]1C	ZINC000833613573	605742198	/nfs/dbraw/zinc/74/21/98/605742198.db2.gz	AQGPWUFEXCWTEU-OLZOCXBDSA-N	0	1	334.420	2.274	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCC[C@H](C)C2)o1	ZINC000736244983	944776958	/nfs/dbraw/zinc/77/69/58/944776958.db2.gz	QMIABKNECHNKQZ-VHSXEESVSA-N	0	1	333.396	2.248	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](C)C2CCCC2)o1	ZINC000820203894	945380513	/nfs/dbraw/zinc/38/05/13/945380513.db2.gz	YYAYTIFUNRIXQU-SECBINFHSA-N	0	1	333.396	2.248	20	50		EEGDMN
C[C@@H](C(=O)[O-])[N@@H+](C)CCP(=O)(c1ccccc1)c1ccccc1	ZINC000817779468	955365958	/nfs/dbraw/zinc/36/59/58/955365958.db2.gz	QCZUOIPJGYFUAW-HNNXBMFYSA-N	0	1	331.352	2.405	20	50		EEGDMN
C[N@H+]1CCN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H](C(=O)[O-])C1	ZINC001598606252	993664439	/nfs/dbraw/zinc/66/44/39/993664439.db2.gz	VFLUDLPATBQMLO-QWHCGFSZSA-N	0	1	346.518	2.175	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCCC(F)(F)F)o1	ZINC000824358288	608157670	/nfs/dbraw/zinc/15/76/70/608157670.db2.gz	FXFPIUYTMJIWHF-UHFFFAOYSA-N	0	1	347.301	2.154	20	50		EEGDMN
CN(C)c1cc[nH+]cc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001598348358	991433346	/nfs/dbraw/zinc/43/33/46/991433346.db2.gz	MXQJFMFQHCNISQ-UHFFFAOYSA-N	0	1	334.763	2.256	20	50		EEGDMN
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001598593325	993467800	/nfs/dbraw/zinc/46/78/00/993467800.db2.gz	LEQULGMAMXTOCU-CQSZACIVSA-N	0	1	334.420	2.131	20	50		EEGDMN
CC[N@H+]1CCCC[C@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001596424181	984066951	/nfs/dbraw/zinc/06/69/51/984066951.db2.gz	HLVNVYCPFFCIRT-LBPRGKRZSA-N	0	1	338.383	2.024	20	50		EEGDMN
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNc3cccc(F)c3C(=O)[O-])C[N@H+]2C1	ZINC001594287097	999110950	/nfs/dbraw/zinc/11/09/50/999110950.db2.gz	TXIAHZQUKBIGHP-WOPDTQHZSA-N	0	1	335.379	2.087	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CC[C@@H](C)C2)o1	ZINC000820678185	945520880	/nfs/dbraw/zinc/52/08/80/945520880.db2.gz	TULSYAIZNIULPR-SBMLRHLQSA-N	0	1	331.380	2.168	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2CC[C@@H](C)C2)o1	ZINC000820685206	945526233	/nfs/dbraw/zinc/52/62/33/945526233.db2.gz	TUTHVJQIGYZERP-ZJUUUORDSA-N	0	1	333.396	2.248	20	50		EEGDMN
C[N@H+](CCI)Cc1ccc(OCC(=O)[O-])cc1	ZINC001598487004	992218432	/nfs/dbraw/zinc/21/84/32/992218432.db2.gz	ZMTOVEHCELSULK-UHFFFAOYSA-N	0	1	349.168	2.017	20	50		EEGDMN
C[N@@H+](CCI)Cc1ccc(OCC(=O)[O-])cc1	ZINC001598487004	992218441	/nfs/dbraw/zinc/21/84/41/992218441.db2.gz	ZMTOVEHCELSULK-UHFFFAOYSA-N	0	1	349.168	2.017	20	50		EEGDMN
CC[N@H+]1CCCC[C@@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001596424168	984066395	/nfs/dbraw/zinc/06/63/95/984066395.db2.gz	HLVNVYCPFFCIRT-GFCCVEGCSA-N	0	1	338.383	2.024	20	50		EEGDMN
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833591393	605741380	/nfs/dbraw/zinc/74/13/80/605741380.db2.gz	LPGPWHFCQZSNHJ-MJBXVCDLSA-N	0	1	348.447	2.377	20	50		EEGDMN
C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NNc3ccc(F)c(C(=O)[O-])c3)C[N@H+]2C1	ZINC001594282956	999094685	/nfs/dbraw/zinc/09/46/85/999094685.db2.gz	CWCOHAIXYIPIIK-WZRBSPASSA-N	0	1	335.379	2.087	20	50		EEGDMN
CC(C)C[N@H+]1CCC[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833488140	605745364	/nfs/dbraw/zinc/74/53/64/605745364.db2.gz	IIRBYFRPUBHIOT-CQSZACIVSA-N	0	1	348.447	2.379	20	50		EEGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2C[C@H](C)C[C@@H](C)C2)o1	ZINC000824877199	609151310	/nfs/dbraw/zinc/15/13/10/609151310.db2.gz	WONAYFNPYMOFTR-NXEZZACHSA-N	0	1	347.423	2.494	20	50		EEGDMN
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613047	605744677	/nfs/dbraw/zinc/74/46/77/605744677.db2.gz	WWPCLUXVHVOJMZ-BETUJISGSA-N	0	1	334.420	2.274	20	50		EEGDMN
CC(=Cc1ccc(C)cc1)C(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1	ZINC001573366539	947744993	/nfs/dbraw/zinc/74/49/93/947744993.db2.gz	SCCIDNJCOLYSAL-FMIVXFBMSA-N	0	1	335.371	2.117	20	50		EEGDMN
C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1	ZINC000833612712	605742353	/nfs/dbraw/zinc/74/23/53/605742353.db2.gz	BNFGGUWPWWKOES-CHWSQXEVSA-N	0	1	334.420	2.131	20	50		EEGDMN
C[C@@H]1C[C@@H]2CC[C@H](C(=O)NNc3ccc(F)c(C(=O)[O-])c3)C[N@H+]2C1	ZINC001594282953	999094714	/nfs/dbraw/zinc/09/47/14/999094714.db2.gz	CWCOHAIXYIPIIK-MDZLAQPJSA-N	0	1	335.379	2.087	20	50		EEGDMN
CCc1[nH+]ccn1[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001597705431	988944840	/nfs/dbraw/zinc/94/48/40/988944840.db2.gz	BGUAEXXUALXUMG-JTQLQIEISA-N	0	1	334.351	2.377	20	50		EEGDMN
C[NH+](C)[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1	ZINC001598162670	990662805	/nfs/dbraw/zinc/66/28/05/990662805.db2.gz	JCKNBPQDPMNKIL-OAHLLOKOSA-N	0	1	331.347	2.270	20	50		EEGDMN
CC[N@H+]1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001596424490	984068169	/nfs/dbraw/zinc/06/81/69/984068169.db2.gz	JMCDQEZOONRDQN-CYBMUJFWSA-N	0	1	334.420	2.194	20	50		EEGDMN
C[C@@H](CC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccccc1F	ZINC001574509813	950529566	/nfs/dbraw/zinc/52/95/66/950529566.db2.gz	YLBJEZDERQGTJI-JTQLQIEISA-N	0	1	341.350	2.038	20	50		EEGDMN