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[n-]n2)c(NNC(=O)[C@H](C)c2cccs2)o1	ZINC000735938859	944717997	/nfs/dbraw/zinc/71/79/97/944717997.db2.gz	FFHAPYQWRUDCPB-MRVPVSSYSA-N	-1	1	347.404	2.286	20	50		EEGDMM
Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-]	ZINC000822210764	945996965	/nfs/dbraw/zinc/99/69/65/945996965.db2.gz	PWSRRXSYXIKGMR-UHFFFAOYSA-N	-1	1	331.313	2.364	20	50		EEGDMM
Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-]	ZINC000822210764	945996975	/nfs/dbraw/zinc/99/69/75/945996975.db2.gz	PWSRRXSYXIKGMR-UHFFFAOYSA-N	-1	1	331.313	2.364	20	50		EEGDMM
COc1ccc(=NNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[nH]c1	ZINC001599597300	993765034	/nfs/dbraw/zinc/76/50/34/993765034.db2.gz	PWLZRQRDNYGNHV-UHFFFAOYSA-N	-1	1	338.270	2.215	20	50		EEGDMM
O=C(NNc1cccc2cnccc21)c1ccc(-c2nnn[n-]2)s1	ZINC000826449327	607398902	/nfs/dbraw/zinc/39/89/02/607398902.db2.gz	MPOWHBODNRDOCQ-UHFFFAOYSA-N	-1	1	337.368	2.233	20	50		EEGDMM
O=C(NNc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)s1	ZINC000826449327	607398904	/nfs/dbraw/zinc/39/89/04/607398904.db2.gz	MPOWHBODNRDOCQ-UHFFFAOYSA-N	-1	1	337.368	2.233	20	50		EEGDMM
CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1nc(C(F)(F)F)cs1	ZINC000824299530	605159112	/nfs/dbraw/zinc/15/91/12/605159112.db2.gz	RKUGOFAHPXKPKI-LURJTMIESA-N	-1	1	340.327	2.287	20	50		EEGDMM
CCCCCCN(C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595708725	982286316	/nfs/dbraw/zinc/28/63/16/982286316.db2.gz	DKXWRUGIDOFAFA-UHFFFAOYSA-N	-1	1	325.384	2.479	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2C[C@@H](C)C[C@H](C)C2)o1	ZINC000824877202	609151178	/nfs/dbraw/zinc/15/11/78/609151178.db2.gz	WONAYFNPYMOFTR-UWVGGRQHSA-N	-1	1	347.423	2.494	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cccc2ncccc21	ZINC000823273451	946380511	/nfs/dbraw/zinc/38/05/11/946380511.db2.gz	NVLWPBISYALTIK-UHFFFAOYSA-N	-1	1	349.379	2.240	20	50		EEGDMM
Cc1[nH]c(C(=O)NNc2nccnc2C2CCC2)c(C)c1C(=O)[O-]	ZINC001599954090	985656949	/nfs/dbraw/zinc/65/69/49/985656949.db2.gz	WEESJQRRUKNDQS-UHFFFAOYSA-N	-1	1	329.360	2.144	20	50		EEGDMM
CCCCCCN(C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595709252	982291039	/nfs/dbraw/zinc/29/10/39/982291039.db2.gz	YGDMETPUIRXHIM-UHFFFAOYSA-N	-1	1	325.384	2.479	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C(=O)[O-])co2)o1	ZINC001596275625	983694281	/nfs/dbraw/zinc/69/42/81/983694281.db2.gz	NFCQCIDRYAUQIY-UHFFFAOYSA-N	-1	1	333.344	2.177	20	50		EEGDMM
CN(C)[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccsc1	ZINC001598171011	990703416	/nfs/dbraw/zinc/70/34/16/990703416.db2.gz	RDVZSMBPDTWIBN-AWEZNQCLSA-N	-1	1	348.428	2.375	20	50		EEGDMM
O=C([O-])C=Cc1cc(C(=O)NNc2nccnc2C2CCC2)co1	ZINC001574666787	962519868	/nfs/dbraw/zinc/51/98/68/962519868.db2.gz	GSGKZAZFPJYPBD-SNAWJCMRSA-N	-1	1	328.328	2.192	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)c2cccs2)o1	ZINC000735938860	944717821	/nfs/dbraw/zinc/71/78/21/944717821.db2.gz	FFHAPYQWRUDCPB-QMMMGPOBSA-N	-1	1	347.404	2.286	20	50		EEGDMM
N#Cc1ccc(=NNC(=O)Nc2cccc(CCC(=O)[O-])c2)[nH]c1	ZINC001594623791	956299073	/nfs/dbraw/zinc/29/90/73/956299073.db2.gz	IOPYQKZAMJQDGR-UHFFFAOYSA-N	-1	1	325.328	2.119	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1nnc2n1CCCCC2	ZINC000822796648	946185020	/nfs/dbraw/zinc/18/50/20/946185020.db2.gz	UEWZGIJBZQUHJF-CSKARUKUSA-N	-1	1	338.400	2.310	20	50		EEGDMM
Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	ZINC001594288507	957799215	/nfs/dbraw/zinc/79/92/15/957799215.db2.gz	UBUUZNGOHFCKPP-UHFFFAOYSA-N	-1	1	348.742	2.127	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CC[C@@H](C)C2)o1	ZINC000820678187	945522269	/nfs/dbraw/zinc/52/22/69/945522269.db2.gz	TULSYAIZNIULPR-YIXGCBLDSA-N	-1	1	331.380	2.168	20	50		EEGDMM
CCc1ccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821475912	945702692	/nfs/dbraw/zinc/70/26/92/945702692.db2.gz	CPORWCFZWDFTKB-UHFFFAOYSA-N	-1	1	326.385	2.255	20	50		EEGDMM
Cc1cc(NC(=O)NNc2ccnc3cccnc32)ccc1C(=O)[O-]	ZINC001594322954	958136616	/nfs/dbraw/zinc/13/66/16/958136616.db2.gz	JKMMNWNPYSEUSU-UHFFFAOYSA-N	-1	1	337.339	2.207	20	50		EEGDMM
O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1	ZINC000833149512	601324730	/nfs/dbraw/zinc/32/47/30/601324730.db2.gz	SBYPCDQFEINSNY-RYUDHWBXSA-N	-1	1	330.340	2.085	20	50		EEGDMM
C[C@H](NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1	ZINC000820313286	945411691	/nfs/dbraw/zinc/41/16/91/945411691.db2.gz	CMFGBXZDADLUNJ-KWJWQAOWSA-N	-1	1	334.339	2.244	20	50		EEGDMM
C[C@H](NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1	ZINC000820313286	945411710	/nfs/dbraw/zinc/41/17/10/945411710.db2.gz	CMFGBXZDADLUNJ-KWJWQAOWSA-N	-1	1	334.339	2.244	20	50		EEGDMM
O=C([O-])[C@H](NNC(=O)C(F)(F)Oc1ccccc1)c1ccccc1	ZINC000833170411	600753361	/nfs/dbraw/zinc/75/33/61/600753361.db2.gz	UHYRFLBPVDLOQO-CYBMUJFWSA-N	-1	1	336.294	2.105	20	50		EEGDMM
CC(=NNC(=O)Cc1ccsc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948741	608094458	/nfs/dbraw/zinc/09/44/58/608094458.db2.gz	VUJJKPOIAYAKOY-UHFFFAOYSA-N	-1	1	332.414	2.073	20	50		EEGDMM
CC(C)CC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000820050508	945337556	/nfs/dbraw/zinc/33/75/56/945337556.db2.gz	AWZWPKGRUGCHLG-UHFFFAOYSA-N	-1	1	335.412	2.494	20	50		EEGDMM
O=C([O-])c1cncc(NC(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1	ZINC001594780489	953624559	/nfs/dbraw/zinc/62/45/59/953624559.db2.gz	SBJNOPFXOANIAX-UHFFFAOYSA-N	-1	1	341.249	2.342	20	50		EEGDMM
CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NN=c1ncc(F)c[nH]1	ZINC001591769318	975891420	/nfs/dbraw/zinc/89/14/20/975891420.db2.gz	JXGKMPSURBBPMM-UHFFFAOYSA-N	-1	1	349.322	2.250	20	50		EEGDMM
CCc1n[nH]c(Cl)c1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001597644519	988652791	/nfs/dbraw/zinc/65/27/91/988652791.db2.gz	PDXMGBAIYDJYOK-UHFFFAOYSA-N	-1	1	326.715	2.220	20	50		EEGDMM
Cc1ccc(SCC(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1	ZINC000822266951	946035982	/nfs/dbraw/zinc/03/59/82/946035982.db2.gz	LBAXPHMUHDZLJS-UHFFFAOYSA-N	-1	1	342.384	2.011	20	50		EEGDMM
Cc1ccc(SCC(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1	ZINC000822266951	946035993	/nfs/dbraw/zinc/03/59/93/946035993.db2.gz	LBAXPHMUHDZLJS-UHFFFAOYSA-N	-1	1	342.384	2.011	20	50		EEGDMM
COc1ccc(=NNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[nH]c1	ZINC001599598334	993778801	/nfs/dbraw/zinc/77/88/01/993778801.db2.gz	XFZMGCZAQKGMRZ-JTQLQIEISA-N	-1	1	330.344	2.427	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)c2ccsc2)o1	ZINC000735939351	944722954	/nfs/dbraw/zinc/72/29/54/944722954.db2.gz	NLUTUSRQOISQGG-QMMMGPOBSA-N	-1	1	347.404	2.286	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)o1	ZINC001574424115	948840009	/nfs/dbraw/zinc/84/00/09/948840009.db2.gz	FMLUQYAKRRPBIU-OUAUKWLOSA-N	-1	1	343.391	2.024	20	50		EEGDMM
O=C([O-])c1cccnc1NNC(=O)c1cn[nH]c1-c1ccccc1F	ZINC001595262121	949680427	/nfs/dbraw/zinc/68/04/27/949680427.db2.gz	QRGOYDLKBGNSHN-UHFFFAOYSA-N	-1	1	341.302	2.066	20	50		EEGDMM
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)c1cc(Cl)ccc1[O-]	ZINC000823273397	946380469	/nfs/dbraw/zinc/38/04/69/946380469.db2.gz	LWZDEBBTRXWFDL-UHFFFAOYSA-N	-1	1	348.775	2.051	20	50		EEGDMM
O=C([O-])[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C1CCCC1	ZINC001594836418	954029495	/nfs/dbraw/zinc/02/94/95/954029495.db2.gz	UJGHCWNRBASCLZ-LLVKDONJSA-N	-1	1	331.294	2.435	20	50		EEGDMM
O=C([O-])c1ccc(CCC(=O)NNc2ccnc3ccccc32)cc1	ZINC000739256320	978624805	/nfs/dbraw/zinc/62/48/05/978624805.db2.gz	SRTQUYQXGVANNB-UHFFFAOYSA-N	-1	1	335.363	2.431	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CC[C@H](C)C2)o1	ZINC000820678184	945520911	/nfs/dbraw/zinc/52/09/11/945520911.db2.gz	TULSYAIZNIULPR-HZAKCSEPSA-N	-1	1	331.380	2.168	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C)c(C(=O)[O-])o2)o1	ZINC001596275452	983693543	/nfs/dbraw/zinc/69/35/43/983693543.db2.gz	CJNIGNOOOGDOMD-UHFFFAOYSA-N	-1	1	347.371	2.485	20	50		EEGDMM
C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001594448085	999642951	/nfs/dbraw/zinc/64/29/51/999642951.db2.gz	OSBHSIJOAMGNPB-RMLUDKJBSA-N	-1	1	332.335	2.056	20	50		EEGDMM
Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1F	ZINC000737236964	945017772	/nfs/dbraw/zinc/01/77/72/945017772.db2.gz	WJTXYUPXRPIPDI-UHFFFAOYSA-N	-1	1	345.338	2.183	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H]2CC[C@H](C)C2)o1	ZINC000820685203	945526193	/nfs/dbraw/zinc/52/61/93/945526193.db2.gz	TUTHVJQIGYZERP-VHSXEESVSA-N	-1	1	333.396	2.248	20	50		EEGDMM
O=C(CCCc1ccccc1)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000822958723	946234385	/nfs/dbraw/zinc/23/43/85/946234385.db2.gz	DMLDPPHKPSEEAV-UHFFFAOYSA-N	-1	1	340.412	2.401	20	50		EEGDMM
O=C([O-])c1ccccc1NC(=O)NNC(=O)c1ccc(Cl)cc1O	ZINC001605815668	972544479	/nfs/dbraw/zinc/54/44/79/972544479.db2.gz	PBJZHCOOYAEICJ-UHFFFAOYSA-N	-1	1	349.730	2.210	20	50		EEGDMM
O=C([O-])/C=C/c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)co1	ZINC001606063667	973193520	/nfs/dbraw/zinc/19/35/20/973193520.db2.gz	CXMLKIOSQSMPES-AATRIKPKSA-N	-1	1	340.291	2.198	20	50		EEGDMM
O=C([O-])c1cccc(CC(=O)NNC(=O)c2cc3ccccc3o2)c1	ZINC000833765761	604775552	/nfs/dbraw/zinc/77/55/52/604775552.db2.gz	LATBOCUAESQDPU-UHFFFAOYSA-N	-1	1	338.319	2.135	20	50		EEGDMM
O=C(NN=c1ccc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)s1	ZINC000826447343	609263284	/nfs/dbraw/zinc/26/32/84/609263284.db2.gz	ATGCGWHPHLGFAI-UHFFFAOYSA-N	-1	1	337.368	2.233	20	50		EEGDMM
O=C(NN=c1ccc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)s1	ZINC000826447343	609263287	/nfs/dbraw/zinc/26/32/87/609263287.db2.gz	ATGCGWHPHLGFAI-UHFFFAOYSA-N	-1	1	337.368	2.233	20	50		EEGDMM
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737282155	945030776	/nfs/dbraw/zinc/03/07/76/945030776.db2.gz	AECBGZOVVDLFKB-UHFFFAOYSA-N	-1	1	340.299	2.006	20	50		EEGDMM
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737282155	945030781	/nfs/dbraw/zinc/03/07/81/945030781.db2.gz	AECBGZOVVDLFKB-UHFFFAOYSA-N	-1	1	340.299	2.006	20	50		EEGDMM
CC(C)C[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000735761943	944699132	/nfs/dbraw/zinc/69/91/32/944699132.db2.gz	SELPSZGYXUAORE-JTQLQIEISA-N	-1	1	335.412	2.494	20	50		EEGDMM
Cc1cccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1F	ZINC000822284595	946044208	/nfs/dbraw/zinc/04/42/08/946044208.db2.gz	WOKMJZOSQROFJJ-UHFFFAOYSA-N	-1	1	345.338	2.183	20	50		EEGDMM
C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605055	605247923	/nfs/dbraw/zinc/24/79/23/605247923.db2.gz	WNHMPUDGMHKSOP-NXEZZACHSA-N	-1	1	325.796	2.354	20	50		EEGDMM
COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1	ZINC000821831711	945877306	/nfs/dbraw/zinc/87/73/06/945877306.db2.gz	KDNZNVWRFKTSDJ-NTMALXAHSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1	ZINC000821831711	945877322	/nfs/dbraw/zinc/87/73/22/945877322.db2.gz	KDNZNVWRFKTSDJ-NTMALXAHSA-N	-1	1	336.311	2.014	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cccc2cccnc21	ZINC000823273811	946392526	/nfs/dbraw/zinc/39/25/26/946392526.db2.gz	ZBLMFWFBKFMERL-UHFFFAOYSA-N	-1	1	349.379	2.240	20	50		EEGDMM
CC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)(C)C	ZINC000819763752	945283301	/nfs/dbraw/zinc/28/33/01/945283301.db2.gz	CIJDQEGFCAUSJX-CLFYSBASSA-N	-1	1	333.396	2.414	20	50		EEGDMM
COc1ccc(=NNC(=O)Nc2cccc(CCC(=O)[O-])c2)[nH]c1	ZINC001611051161	970869355	/nfs/dbraw/zinc/86/93/55/970869355.db2.gz	HTEVNFNVSWNSJP-UHFFFAOYSA-N	-1	1	330.344	2.256	20	50		EEGDMM
COc1cc(C(=O)[O-])ccc1NNC(=O)c1cccc2nc[nH]c21	ZINC001599376323	998491295	/nfs/dbraw/zinc/49/12/95/998491295.db2.gz	LGOOEDCGAAUHTD-UHFFFAOYSA-N	-1	1	326.312	2.027	20	50		EEGDMM
Cc1ccc([C@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)o1	ZINC000822227821	946007891	/nfs/dbraw/zinc/00/78/91/946007891.db2.gz	WYXSMQICYOBOGU-VIFPVBQESA-N	-1	1	345.363	2.126	20	50		EEGDMM
CCC(CC)(CNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000818627386	978921493	/nfs/dbraw/zinc/92/14/93/978921493.db2.gz	TZPUNRXFBYDCDL-UHFFFAOYSA-N	-1	1	347.371	2.268	20	50		EEGDMM
Cc1c(C(=O)NNc2ccc(C(=O)[O-])cc2F)ccc2cncn21	ZINC001599982059	986177048	/nfs/dbraw/zinc/17/70/48/986177048.db2.gz	JDRDWHZUFLTSBK-UHFFFAOYSA-N	-1	1	328.303	2.237	20	50		EEGDMM
COc1cccc(C(=O)[O-])c1CN1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC001599645135	994414642	/nfs/dbraw/zinc/41/46/42/994414642.db2.gz	NYEDNSUALMKIKF-PJXYFTJBSA-N	-1	1	326.190	2.219	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCC[C@@H](C)C2)o1	ZINC000736244981	944776865	/nfs/dbraw/zinc/77/68/65/944776865.db2.gz	QMIABKNECHNKQZ-NXEZZACHSA-N	-1	1	333.396	2.248	20	50		EEGDMM
CCc1cc(C)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)o1	ZINC000821469358	945703330	/nfs/dbraw/zinc/70/33/30/945703330.db2.gz	DDAYPUOKBSDQGL-UHFFFAOYSA-N	-1	1	345.363	2.199	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cc2ccccc2o1	ZINC000823273387	946380176	/nfs/dbraw/zinc/38/01/76/946380176.db2.gz	LKMYYLRLEQPQQY-UHFFFAOYSA-N	-1	1	338.352	2.438	20	50		EEGDMM
CC(=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)(C)C	ZINC000819763753	945283162	/nfs/dbraw/zinc/28/31/62/945283162.db2.gz	CIJDQEGFCAUSJX-VQHVLOKHSA-N	-1	1	333.396	2.414	20	50		EEGDMM
COc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1	ZINC000821871861	945890004	/nfs/dbraw/zinc/89/00/04/945890004.db2.gz	GSLJPFYQTOOCMH-YFHOEESVSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1	ZINC000821871861	945890020	/nfs/dbraw/zinc/89/00/20/945890020.db2.gz	GSLJPFYQTOOCMH-YFHOEESVSA-N	-1	1	336.311	2.014	20	50		EEGDMM
C=C(CBr)CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001588606340	983697298	/nfs/dbraw/zinc/69/72/98/983697298.db2.gz	XSMAKCGHZDRFOR-CYBMUJFWSA-N	-1	1	343.177	2.435	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)NC1CCCCC1	ZINC000822796831	946189232	/nfs/dbraw/zinc/18/92/32/946189232.db2.gz	ZYDZIXUINPSKBZ-CSKARUKUSA-N	-1	1	328.401	2.284	20	50		EEGDMM
O=C([O-])c1cccnc1NNC(=O)C(F)(F)c1c(F)cccc1F	ZINC001595262216	949682829	/nfs/dbraw/zinc/68/28/29/949682829.db2.gz	VHXINQOGQKBDDX-UHFFFAOYSA-N	-1	1	343.236	2.293	20	50		EEGDMM
O=C([O-])Nc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2O)c1	ZINC000740033222	978663745	/nfs/dbraw/zinc/66/37/45/978663745.db2.gz	HQGXFGHVQFPHIO-UHFFFAOYSA-N	-1	1	349.730	2.210	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C)c(C(=O)[O-])[nH]2)o1	ZINC001596276029	983695399	/nfs/dbraw/zinc/69/53/99/983695399.db2.gz	VAKPCLBDAYICIS-UHFFFAOYSA-N	-1	1	346.387	2.220	20	50		EEGDMM
O=C(NNc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1	ZINC000738138017	945250302	/nfs/dbraw/zinc/25/03/02/945250302.db2.gz	WSVOMLSXGFDOTE-UHFFFAOYSA-N	-1	1	349.276	2.037	20	50		EEGDMM
O=C(NNc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1	ZINC000738138017	945250313	/nfs/dbraw/zinc/25/03/13/945250313.db2.gz	WSVOMLSXGFDOTE-UHFFFAOYSA-N	-1	1	349.276	2.037	20	50		EEGDMM
O=C([O-])C1CCC(NC(=O)NNC(=O)c2cc3ccccc3o2)CC1	ZINC000821451608	955506383	/nfs/dbraw/zinc/50/63/83/955506383.db2.gz	BDDSRPRZXLPXLR-UHFFFAOYSA-N	-1	1	345.355	2.020	20	50		EEGDMM
CCN1CCCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001596424985	984071066	/nfs/dbraw/zinc/07/10/66/984071066.db2.gz	NPSVILZUGVGFRX-ZDUSSCGKSA-N	-1	1	325.796	2.356	20	50		EEGDMM
C[C@@H](NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1	ZINC000820313288	945411999	/nfs/dbraw/zinc/41/19/99/945411999.db2.gz	CMFGBXZDADLUNJ-NASPGAHYSA-N	-1	1	334.339	2.244	20	50		EEGDMM
C[C@@H](NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1	ZINC000820313288	945412017	/nfs/dbraw/zinc/41/20/17/945412017.db2.gz	CMFGBXZDADLUNJ-NASPGAHYSA-N	-1	1	334.339	2.244	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)NC1CCCCC1	ZINC000822796832	946189561	/nfs/dbraw/zinc/18/95/61/946189561.db2.gz	ZYDZIXUINPSKBZ-NTMALXAHSA-N	-1	1	328.401	2.284	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@H](C(=O)[O-])C2)o1	ZINC001596276138	983695709	/nfs/dbraw/zinc/69/57/09/983695709.db2.gz	ZFSZOFDUZPEAKA-LBPRGKRZSA-N	-1	1	335.404	2.482	20	50		EEGDMM
Cc1c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)ccc2cncn21	ZINC001599982448	986183437	/nfs/dbraw/zinc/18/34/37/986183437.db2.gz	UQELKIBOFSBJSC-UHFFFAOYSA-N	-1	1	328.303	2.237	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCC[C@H](C)C2)o1	ZINC000736244982	944776516	/nfs/dbraw/zinc/77/65/16/944776516.db2.gz	QMIABKNECHNKQZ-UWVGGRQHSA-N	-1	1	333.396	2.248	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccccc1	ZINC000822796811	946190356	/nfs/dbraw/zinc/19/03/56/946190356.db2.gz	ZJEIRGVCNJBZHC-WQLSENKSSA-N	-1	1	336.380	2.152	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)c1cc(Cl)ccc1[O-]	ZINC000823273178	946375928	/nfs/dbraw/zinc/37/59/28/946375928.db2.gz	HEXFNFGLMZYMDH-UHFFFAOYSA-N	-1	1	348.775	2.051	20	50		EEGDMM
CC(C)Oc1c(NC(=O)NN=c2ncc(F)c[nH]2)cccc1C(=O)[O-]	ZINC001591747696	975798133	/nfs/dbraw/zinc/79/81/33/975798133.db2.gz	WUIAMBHHDSMWKH-UHFFFAOYSA-N	-1	1	349.322	2.250	20	50		EEGDMM
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948763	608094521	/nfs/dbraw/zinc/09/45/21/608094521.db2.gz	WXRUYRPIRVBNAH-UHFFFAOYSA-N	-1	1	347.791	2.131	20	50		EEGDMM
C[C@H](NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1	ZINC000820313283	945411863	/nfs/dbraw/zinc/41/18/63/945411863.db2.gz	CMFGBXZDADLUNJ-GJSJWPQCSA-N	-1	1	334.339	2.244	20	50		EEGDMM
C[C@H](NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1	ZINC000820313283	945411872	/nfs/dbraw/zinc/41/18/72/945411872.db2.gz	CMFGBXZDADLUNJ-GJSJWPQCSA-N	-1	1	334.339	2.244	20	50		EEGDMM
CCc1[nH]c(C(=O)NNc2ccnc3ccccc32)c(C)c1C(=O)[O-]	ZINC000737243222	978390752	/nfs/dbraw/zinc/39/07/52/978390752.db2.gz	CQPSSRCKLOAXOW-UHFFFAOYSA-N	-1	1	338.367	2.311	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCC[C@@H](C)C2)o1	ZINC000736244984	944776076	/nfs/dbraw/zinc/77/60/76/944776076.db2.gz	QMIABKNECHNKQZ-ZJUUUORDSA-N	-1	1	333.396	2.248	20	50		EEGDMM
C[C@@H](NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1	ZINC000820313289	945412253	/nfs/dbraw/zinc/41/22/53/945412253.db2.gz	CMFGBXZDADLUNJ-VSXLWIIGSA-N	-1	1	334.339	2.244	20	50		EEGDMM
C[C@@H](NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1	ZINC000820313289	945412262	/nfs/dbraw/zinc/41/22/62/945412262.db2.gz	CMFGBXZDADLUNJ-VSXLWIIGSA-N	-1	1	334.339	2.244	20	50		EEGDMM
CC[C@@H](CNC(=O)NNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC001589538759	955185103	/nfs/dbraw/zinc/18/51/03/955185103.db2.gz	MHIHCLBTMRDFTG-ZETCQYMHSA-N	-1	1	348.186	2.048	20	50		EEGDMM
COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(F)cc2nc[nH]c21	ZINC001599376479	998494985	/nfs/dbraw/zinc/49/49/85/998494985.db2.gz	NBIKXDBHRAWIKH-UHFFFAOYSA-N	-1	1	344.302	2.166	20	50		EEGDMM
C[C@@H]1CCc2n[nH]c(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)c2C1	ZINC001594448096	999642918	/nfs/dbraw/zinc/64/29/18/999642918.db2.gz	OWHVAEBYRFQMMH-MRVPVSSYSA-N	-1	1	332.335	2.129	20	50		EEGDMM
O=C([O-])[C@@H](NNC(=O)C(F)(F)Oc1ccccc1)c1ccccc1	ZINC000833170413	600753397	/nfs/dbraw/zinc/75/33/97/600753397.db2.gz	UHYRFLBPVDLOQO-ZDUSSCGKSA-N	-1	1	336.294	2.105	20	50		EEGDMM
CCc1oc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C	ZINC000821558985	945714841	/nfs/dbraw/zinc/71/48/41/945714841.db2.gz	NMBPPBIJWSMGID-UHFFFAOYSA-N	-1	1	345.363	2.199	20	50		EEGDMM
O=C([O-])C1(C(=O)NNC(=O)c2cc3ccccc3o2)CCCCC1	ZINC001594779471	953615836	/nfs/dbraw/zinc/61/58/36/953615836.db2.gz	RZTZEBZECKJYSR-UHFFFAOYSA-N	-1	1	330.340	2.229	20	50		EEGDMM
CC(C)c1ncc[nH]c1=NNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001592039418	976761374	/nfs/dbraw/zinc/76/13/74/976761374.db2.gz	HPFPYQBUDFIXEM-UHFFFAOYSA-N	-1	1	332.404	2.468	20	50		EEGDMM
C[C@@H]1CCc2n[nH]c(C(=O)NNc3cccc(C(=O)[O-])c3F)c2C1	ZINC001594447978	999642646	/nfs/dbraw/zinc/64/26/46/999642646.db2.gz	LROWTVFCVZQSGJ-MRVPVSSYSA-N	-1	1	332.335	2.129	20	50		EEGDMM
C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594448266	999643371	/nfs/dbraw/zinc/64/33/71/999643371.db2.gz	QAJQHPRYTXANSR-RTHLEPHNSA-N	-1	1	332.335	2.056	20	50		EEGDMM
O=C(C=Cc1cnn(CCCl)c1)c1ccc(-c2nnn[n-]2)s1	ZINC000826402942	608094054	/nfs/dbraw/zinc/09/40/54/608094054.db2.gz	GLHHWKOYJMCHPD-UPHRSURJSA-N	-1	1	334.792	2.260	20	50		EEGDMM
O=C(C=Cc1cnn(CCCl)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000826402942	608094055	/nfs/dbraw/zinc/09/40/55/608094055.db2.gz	GLHHWKOYJMCHPD-UPHRSURJSA-N	-1	1	334.792	2.260	20	50		EEGDMM
O=C([O-])c1cccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1	ZINC001594782964	953650132	/nfs/dbraw/zinc/65/01/32/953650132.db2.gz	PKTLBGCTCAXXKY-UHFFFAOYSA-N	-1	1	349.730	2.210	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=C2CCC(C(=O)[O-])CC2)o1	ZINC000820338891	955466654	/nfs/dbraw/zinc/46/66/54/955466654.db2.gz	XCUGGJBRFNURCE-UHFFFAOYSA-N	-1	1	335.404	2.482	20	50		EEGDMM
O=C(CCCc1cccs1)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000822959292	946236833	/nfs/dbraw/zinc/23/68/33/946236833.db2.gz	XCIZOUORDKVVJU-UHFFFAOYSA-N	-1	1	346.441	2.463	20	50		EEGDMM
O=C([O-])c1cccnc1NNC(=O)c1cccc2nc(C(F)F)[nH]c21	ZINC001606528956	974040814	/nfs/dbraw/zinc/04/08/14/974040814.db2.gz	UYTKMTUTJMQPHC-UHFFFAOYSA-N	-1	1	347.281	2.351	20	50		EEGDMM
CC(=NNC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)s1	ZINC000823953512	608091622	/nfs/dbraw/zinc/09/16/22/608091622.db2.gz	DGWMIJWCTNOFJR-UHFFFAOYSA-N	-1	1	330.348	2.221	20	50		EEGDMM
CN(C)Cc1ccsc1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001598253697	991047216	/nfs/dbraw/zinc/04/72/16/991047216.db2.gz	APRJGOBBQARACB-UHFFFAOYSA-N	-1	1	337.376	2.404	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2C(C)(C)C2(C)C)o1	ZINC000820202420	945374149	/nfs/dbraw/zinc/37/41/49/945374149.db2.gz	HZQPGGWOPCJSHW-UHFFFAOYSA-N	-1	1	333.396	2.103	20	50		EEGDMM
Cc1cc(Br)c[nH]c1=NNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001594273347	957686878	/nfs/dbraw/zinc/68/68/78/957686878.db2.gz	DPUVDPHMXVABEB-UHFFFAOYSA-N	-1	1	340.177	2.017	20	50		EEGDMM
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccccc2c1[O-]	ZINC000826447210	607463508	/nfs/dbraw/zinc/46/35/08/607463508.db2.gz	TZVGAUYCZLWBPW-UHFFFAOYSA-N	-1	1	346.350	2.482	20	50		EEGDMM
CC=C(C=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)CC	ZINC000820828032	945563245	/nfs/dbraw/zinc/56/32/45/945563245.db2.gz	ZMGJEGDGGDLMFX-LZIZUESTSA-N	-1	1	331.380	2.334	20	50		EEGDMM
C[C@H](CC(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)c1ccccc1F	ZINC001574509814	950530593	/nfs/dbraw/zinc/53/05/93/950530593.db2.gz	YLBJEZDERQGTJI-SNVBAGLBSA-N	-1	1	341.350	2.038	20	50		EEGDMM
Cc1cc(C(=O)[O-])cc(C(=O)NN=c2[nH]c3ccccc3c(=O)[nH]2)c1	ZINC001594288178	957793664	/nfs/dbraw/zinc/79/36/64/957793664.db2.gz	BWAJREURVWMBCV-UHFFFAOYSA-N	-1	1	338.323	2.099	20	50		EEGDMM
C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001594448086	999642936	/nfs/dbraw/zinc/64/29/36/999642936.db2.gz	OSBHSIJOAMGNPB-RTHLEPHNSA-N	-1	1	332.335	2.056	20	50		EEGDMM
CC(=NNC(=O)c1cc(C)oc1C)c1ccc(-c2nn[n-]n2)s1	ZINC000823948066	608091517	/nfs/dbraw/zinc/09/15/17/608091517.db2.gz	CJOSVGVDNXTMTM-UHFFFAOYSA-N	-1	1	330.373	2.292	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccccc1	ZINC000822796812	946190044	/nfs/dbraw/zinc/19/00/44/946190044.db2.gz	ZJEIRGVCNJBZHC-XYOKQWHBSA-N	-1	1	336.380	2.152	20	50		EEGDMM
C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594448265	999643475	/nfs/dbraw/zinc/64/34/75/999643475.db2.gz	QAJQHPRYTXANSR-RMLUDKJBSA-N	-1	1	332.335	2.056	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(F)=C2CCCC2)o1	ZINC000820203605	945380554	/nfs/dbraw/zinc/38/05/54/945380554.db2.gz	VYSYLHNZPNWJGK-UHFFFAOYSA-N	-1	1	335.343	2.219	20	50		EEGDMM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1	ZINC000833149510	601324943	/nfs/dbraw/zinc/32/49/43/601324943.db2.gz	SBYPCDQFEINSNY-NEPJUHHUSA-N	-1	1	330.340	2.085	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2CCCCCC2)o1	ZINC000735938587	944717630	/nfs/dbraw/zinc/71/76/30/944717630.db2.gz	BNYPMILYEQVSBU-UHFFFAOYSA-N	-1	1	333.396	2.392	20	50		EEGDMM
O=C([O-])[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)C1CCCC1	ZINC001605814663	972536870	/nfs/dbraw/zinc/53/68/70/972536870.db2.gz	MZMGGKGAJBJOIN-CQSZACIVSA-N	-1	1	330.340	2.085	20	50		EEGDMM
COc1ccc(=NNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)[nH]c1	ZINC001599598307	993778725	/nfs/dbraw/zinc/77/87/25/993778725.db2.gz	UTSFRKHVQYIZAI-UHFFFAOYSA-N	-1	1	334.307	2.385	20	50		EEGDMM
COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1	ZINC000821898586	945900015	/nfs/dbraw/zinc/90/00/15/945900015.db2.gz	QPGYTJJZTGPRKT-CSKARUKUSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1	ZINC000821898586	945900022	/nfs/dbraw/zinc/90/00/22/945900022.db2.gz	QPGYTJJZTGPRKT-CSKARUKUSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](C)N1CCCCCC1	ZINC001599376240	998490740	/nfs/dbraw/zinc/49/07/40/998490740.db2.gz	NUHBDGGYPZZASH-GFCCVEGCSA-N	-1	1	335.404	2.101	20	50		EEGDMM
CC(=NNC(=O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948229	608093967	/nfs/dbraw/zinc/09/39/67/608093967.db2.gz	IHOYWQKCSHHJGH-UHFFFAOYSA-N	-1	1	340.412	2.401	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCC(C)(C)C2)o1	ZINC000824353011	609412861	/nfs/dbraw/zinc/41/28/61/609412861.db2.gz	TZPSYODBJZNCQH-VIFPVBQESA-N	-1	1	333.396	2.248	20	50		EEGDMM
O=C([O-])c1cccnc1NNC(=O)c1ccc(CN2CCCCC2)o1	ZINC001574579162	962097505	/nfs/dbraw/zinc/09/75/05/962097505.db2.gz	XKLHEMJUJCVUPX-UHFFFAOYSA-N	-1	1	344.371	2.116	20	50		EEGDMM
Cc1cc(Br)c[nH]c1=NNC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001605102234	972759392	/nfs/dbraw/zinc/75/93/92/972759392.db2.gz	QFBJEAROUWMPLP-ZDUSSCGKSA-N	-1	1	342.193	2.097	20	50		EEGDMM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1cc2ccccc2o1	ZINC000832845406	604333103	/nfs/dbraw/zinc/33/31/03/604333103.db2.gz	CTZQSCBFZJAOMJ-UHFFFAOYSA-N	-1	1	341.323	2.151	20	50		EEGDMM
CCC(CC)[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000825097362	608060247	/nfs/dbraw/zinc/06/02/47/608060247.db2.gz	VXBWLJDIZHVPPT-SECBINFHSA-N	-1	1	335.412	2.494	20	50		EEGDMM
CC[C@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C	ZINC000736335147	944805440	/nfs/dbraw/zinc/80/54/40/944805440.db2.gz	YKBGXPACQZOTLX-SNVBAGLBSA-N	-1	1	335.412	2.494	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CC23CCCC3)o1	ZINC000820203032	945378128	/nfs/dbraw/zinc/37/81/28/945378128.db2.gz	OQCYXYOSAJQKBT-SECBINFHSA-N	-1	1	331.380	2.002	20	50		EEGDMM
O=C(CCc1ccccc1)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000822983891	946245597	/nfs/dbraw/zinc/24/55/97/946245597.db2.gz	WPDAEAHDPJLRGU-UHFFFAOYSA-N	-1	1	326.385	2.011	20	50		EEGDMM
O=C([O-])c1cncc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	ZINC000316144939	963982832	/nfs/dbraw/zinc/98/28/32/963982832.db2.gz	RKCFLBXLJZMDFJ-UHFFFAOYSA-N	-1	1	340.788	2.362	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCC(C)(C)C2)o1	ZINC000824353010	609413401	/nfs/dbraw/zinc/41/34/01/609413401.db2.gz	TZPSYODBJZNCQH-SECBINFHSA-N	-1	1	333.396	2.248	20	50		EEGDMM
CCc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000821491886	945707534	/nfs/dbraw/zinc/70/75/34/945707534.db2.gz	AWMXPQKGFCBKRG-UHFFFAOYSA-N	-1	1	341.375	2.297	20	50		EEGDMM
CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)C1CCCCC1	ZINC000821569682	945718639	/nfs/dbraw/zinc/71/86/39/945718639.db2.gz	RVNVHPFTNXFUHO-LUAWRHEFSA-N	-1	1	326.360	2.158	20	50		EEGDMM
CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)C1CCCCC1	ZINC000821569682	945718650	/nfs/dbraw/zinc/71/86/50/945718650.db2.gz	RVNVHPFTNXFUHO-LUAWRHEFSA-N	-1	1	326.360	2.158	20	50		EEGDMM
C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1	ZINC000820706044	945531754	/nfs/dbraw/zinc/53/17/54/945531754.db2.gz	XPYZDOMQVWDLJY-PFVNGKLPSA-N	-1	1	326.360	2.062	20	50		EEGDMM
C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1	ZINC000820706044	945531763	/nfs/dbraw/zinc/53/17/63/945531763.db2.gz	XPYZDOMQVWDLJY-PFVNGKLPSA-N	-1	1	326.360	2.062	20	50		EEGDMM
O=C([O-])c1cccnc1NNC(=O)c1cccc(C(F)(F)F)c1O	ZINC001606528559	974035956	/nfs/dbraw/zinc/03/59/56/974035956.db2.gz	MJOBGPXQUJINIQ-UHFFFAOYSA-N	-1	1	341.245	2.261	20	50		EEGDMM
O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(CCCl)cc1	ZINC000740248881	978673140	/nfs/dbraw/zinc/67/31/40/978673140.db2.gz	JIUOMHXEACBKNH-UHFFFAOYSA-N	-1	1	340.788	2.362	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccc2ccccc2c1	ZINC000823273141	946374789	/nfs/dbraw/zinc/37/47/89/946374789.db2.gz	FTOHVDXNQYQOTF-UHFFFAOYSA-N	-1	1	332.323	2.377	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccc2ccccc2c1	ZINC000823273141	946374799	/nfs/dbraw/zinc/37/47/99/946374799.db2.gz	FTOHVDXNQYQOTF-UHFFFAOYSA-N	-1	1	332.323	2.377	20	50		EEGDMM
Cc1cc(F)cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1	ZINC000822203302	945988261	/nfs/dbraw/zinc/98/82/61/945988261.db2.gz	NHMOJIJBKNMNLF-UHFFFAOYSA-N	-1	1	345.338	2.183	20	50		EEGDMM
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1	ZINC001603313085	972611401	/nfs/dbraw/zinc/61/14/01/972611401.db2.gz	VHKRJKZHIHVWOP-UHFFFAOYSA-N	-1	1	344.367	2.331	20	50		EEGDMM
CC(C)(C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1	ZINC000819891895	945308258	/nfs/dbraw/zinc/30/82/58/945308258.db2.gz	KLRLBNQFYVPNCM-UHFFFAOYSA-N	-1	1	340.412	2.356	20	50		EEGDMM
C[C@H]1CC[C@H](C)N1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605057	605247706	/nfs/dbraw/zinc/24/77/06/605247706.db2.gz	WNHMPUDGMHKSOP-UWVGGRQHSA-N	-1	1	325.796	2.354	20	50		EEGDMM
CN(C)Cc1ccnc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1	ZINC001598253787	991050620	/nfs/dbraw/zinc/05/06/20/991050620.db2.gz	HDQUGBVIALQXSV-UHFFFAOYSA-N	-1	1	347.350	2.129	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2n1	ZINC000823273146	946374368	/nfs/dbraw/zinc/37/43/68/946374368.db2.gz	GADRTHFGTWJSEI-UHFFFAOYSA-N	-1	1	349.379	2.240	20	50		EEGDMM
O=C(C=Cc1cnn(CCCl)c1)c1ccc(-c2nnn[n-]2)s1	ZINC000826402941	608094072	/nfs/dbraw/zinc/09/40/72/608094072.db2.gz	GLHHWKOYJMCHPD-OWOJBTEDSA-N	-1	1	334.792	2.260	20	50		EEGDMM
O=C(C=Cc1cnn(CCCl)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000826402941	608094073	/nfs/dbraw/zinc/09/40/73/608094073.db2.gz	GLHHWKOYJMCHPD-OWOJBTEDSA-N	-1	1	334.792	2.260	20	50		EEGDMM
C=CCC(CC=C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000819734363	945275999	/nfs/dbraw/zinc/27/59/99/945275999.db2.gz	NBNDMLVWYMAZRS-UHFFFAOYSA-N	-1	1	331.380	2.190	20	50		EEGDMM
CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1	ZINC000821569744	945719080	/nfs/dbraw/zinc/71/90/80/945719080.db2.gz	ULTHCMUEDXOZCC-PKNBQFBNSA-N	-1	1	336.380	2.498	20	50		EEGDMM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NN=c1cccc(Br)[nH]1	ZINC001588633960	959634765	/nfs/dbraw/zinc/63/47/65/959634765.db2.gz	MKXLWDKWOUCGLR-SECBINFHSA-N	-1	1	330.182	2.034	20	50		EEGDMM
O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2ccccc2cc1[O-]	ZINC000826447282	607465394	/nfs/dbraw/zinc/46/53/94/607465394.db2.gz	YBIXYLAAAASJFX-UHFFFAOYSA-N	-1	1	346.350	2.482	20	50		EEGDMM
Cc1scc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1C	ZINC000826350288	608302108	/nfs/dbraw/zinc/30/21/08/608302108.db2.gz	PJRFRUILRVNOLF-UHFFFAOYSA-N	-1	1	347.404	2.413	20	50		EEGDMM
CSc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)o1	ZINC000737193746	944980489	/nfs/dbraw/zinc/98/04/89/944980489.db2.gz	WACGSHMCGYIOGG-UHFFFAOYSA-N	-1	1	349.376	2.050	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)C12CC3CC(CC(C3)C1)C2	ZINC000823273414	946380063	/nfs/dbraw/zinc/38/00/63/946380063.db2.gz	MNNAOQUDACFKMY-UHFFFAOYSA-N	-1	1	340.387	2.126	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)C12CC3CC(CC(C3)C1)C2	ZINC000823273414	946380076	/nfs/dbraw/zinc/38/00/76/946380076.db2.gz	MNNAOQUDACFKMY-UHFFFAOYSA-N	-1	1	340.387	2.126	20	50		EEGDMM
CC1CCN(CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC001594414572	999548476	/nfs/dbraw/zinc/54/84/76/999548476.db2.gz	JVIXYMOQMKMJSL-UHFFFAOYSA-N	-1	1	325.796	2.213	20	50		EEGDMM
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1	ZINC000823281221	606600701	/nfs/dbraw/zinc/60/07/01/606600701.db2.gz	OPPHFKCZFWJKSF-UHFFFAOYSA-N	-1	1	338.755	2.478	20	50		EEGDMM
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823281221	606600702	/nfs/dbraw/zinc/60/07/02/606600702.db2.gz	OPPHFKCZFWJKSF-UHFFFAOYSA-N	-1	1	338.755	2.478	20	50		EEGDMM
CC(=NNC(=O)c1ccccc1C)c1ccc(-c2nn[n-]n2)s1	ZINC000823953531	608094275	/nfs/dbraw/zinc/09/42/75/608094275.db2.gz	FFIJMUVHQCOGDQ-UHFFFAOYSA-N	-1	1	326.385	2.391	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)c2ccsc2)o1	ZINC000735939350	944721677	/nfs/dbraw/zinc/72/16/77/944721677.db2.gz	NLUTUSRQOISQGG-MRVPVSSYSA-N	-1	1	347.404	2.286	20	50		EEGDMM
CC[C@@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C	ZINC000736335145	944805119	/nfs/dbraw/zinc/80/51/19/944805119.db2.gz	YKBGXPACQZOTLX-JTQLQIEISA-N	-1	1	335.412	2.494	20	50		EEGDMM
CC[C@H](CNC(=O)NNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC001589538758	955184944	/nfs/dbraw/zinc/18/49/44/955184944.db2.gz	MHIHCLBTMRDFTG-SSDOTTSWSA-N	-1	1	348.186	2.048	20	50		EEGDMM
Cc1cc(Br)c[nH]c1=NNC(=O)CCCCC(=O)[O-]	ZINC001605102138	972758351	/nfs/dbraw/zinc/75/83/51/972758351.db2.gz	OLEOHVYTXOXRHD-UHFFFAOYSA-N	-1	1	330.182	2.241	20	50		EEGDMM
O=C([O-])c1ccc(O)c(C=NNC(=O)c2ccc(O)c(Cl)c2)c1	ZINC000740155110	978670923	/nfs/dbraw/zinc/67/09/23/978670923.db2.gz	MDGYUFOSTDKQPL-UHFFFAOYSA-N	-1	1	334.715	2.213	20	50		EEGDMM
Cc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c(F)c1	ZINC000822226507	946006027	/nfs/dbraw/zinc/00/60/27/946006027.db2.gz	VYPKEYVJLOLEAC-UHFFFAOYSA-N	-1	1	345.338	2.183	20	50		EEGDMM
O=C([O-])[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)C1CCCC1	ZINC001605814662	972536330	/nfs/dbraw/zinc/53/63/30/972536330.db2.gz	MZMGGKGAJBJOIN-AWEZNQCLSA-N	-1	1	330.340	2.085	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@@H](C(=O)[O-])C2)o1	ZINC001596276136	983695836	/nfs/dbraw/zinc/69/58/36/983695836.db2.gz	ZFSZOFDUZPEAKA-GFCCVEGCSA-N	-1	1	335.404	2.482	20	50		EEGDMM
O=C([O-])c1ccccc1CC(=O)NNC(=O)c1cc2ccccc2o1	ZINC001601368496	970984123	/nfs/dbraw/zinc/98/41/23/970984123.db2.gz	RLHOZQWAQJIONX-UHFFFAOYSA-N	-1	1	338.319	2.135	20	50		EEGDMM
CCN1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001596424983	984070478	/nfs/dbraw/zinc/07/04/78/984070478.db2.gz	NPSVILZUGVGFRX-CYBMUJFWSA-N	-1	1	325.796	2.356	20	50		EEGDMM
O=C([O-])CCCCCCNC(=O)NNC(=O)c1cc2ccccc2o1	ZINC000833225627	601333781	/nfs/dbraw/zinc/33/37/81/601333781.db2.gz	ZBQDESFMRMDGIG-UHFFFAOYSA-N	-1	1	347.371	2.412	20	50		EEGDMM
O=C([O-])COc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1	ZINC000734096396	978300577	/nfs/dbraw/zinc/30/05/77/978300577.db2.gz	NCHYNOAHKLFWNB-UHFFFAOYSA-N	-1	1	348.742	2.273	20	50		EEGDMM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1	ZINC000833149511	601324846	/nfs/dbraw/zinc/32/48/46/601324846.db2.gz	SBYPCDQFEINSNY-NWDGAFQWSA-N	-1	1	330.340	2.085	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccc(F)c2F)o1	ZINC000735940106	944723922	/nfs/dbraw/zinc/72/39/22/944723922.db2.gz	WAJREWQVLJEESY-UHFFFAOYSA-N	-1	1	349.301	2.013	20	50		EEGDMM
CC(C)c1nccnc1NNC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC001592040047	976765901	/nfs/dbraw/zinc/76/59/01/976765901.db2.gz	XMWHKNWFRMAFDB-UHFFFAOYSA-N	-1	1	328.372	2.374	20	50		EEGDMM
CCN(CC)Cc1ccc(C(=O)NN=Cc2cc(C(=O)[O-])c(C)o2)o1	ZINC001596275626	983694422	/nfs/dbraw/zinc/69/44/22/983694422.db2.gz	NHQDXRVERQSDCH-UHFFFAOYSA-N	-1	1	347.371	2.485	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)C2CCCC2)o1	ZINC000820203895	945380700	/nfs/dbraw/zinc/38/07/00/945380700.db2.gz	YYAYTIFUNRIXQU-VIFPVBQESA-N	-1	1	333.396	2.248	20	50		EEGDMM
CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1	ZINC000821569743	945718545	/nfs/dbraw/zinc/71/85/45/945718545.db2.gz	ULTHCMUEDXOZCC-LUAWRHEFSA-N	-1	1	336.380	2.498	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(Cl)c1	ZINC000823272987	946373232	/nfs/dbraw/zinc/37/32/32/946373232.db2.gz	AXUCTZVYWRXMIM-UHFFFAOYSA-N	-1	1	332.776	2.346	20	50		EEGDMM
C=C(CBr)CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC001588606341	983697293	/nfs/dbraw/zinc/69/72/93/983697293.db2.gz	XSMAKCGHZDRFOR-ZDUSSCGKSA-N	-1	1	343.177	2.435	20	50		EEGDMM
O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1F	ZINC000833148866	604829712	/nfs/dbraw/zinc/82/97/12/604829712.db2.gz	ACYCEHBRBYMJBL-UHFFFAOYSA-N	-1	1	342.282	2.345	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H]2CC[C@@H](C)C2)o1	ZINC000820685196	945527472	/nfs/dbraw/zinc/52/74/72/945527472.db2.gz	TUTHVJQIGYZERP-NXEZZACHSA-N	-1	1	333.396	2.248	20	50		EEGDMM
C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001594448087	999643076	/nfs/dbraw/zinc/64/30/76/999643076.db2.gz	OSBHSIJOAMGNPB-XLKFXECMSA-N	-1	1	332.335	2.056	20	50		EEGDMM
O=C([O-])c1ccnc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	ZINC000833334191	600983093	/nfs/dbraw/zinc/98/30/93/600983093.db2.gz	AZWQIYYWAWNSRK-UHFFFAOYSA-N	-1	1	340.788	2.362	20	50		EEGDMM
Cc1ccccc1NC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000822361473	946071785	/nfs/dbraw/zinc/07/17/85/946071785.db2.gz	BXNRVZCPMGJJRB-UHFFFAOYSA-N	-1	1	327.373	2.392	20	50		EEGDMM
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826447413	607636336	/nfs/dbraw/zinc/63/63/36/607636336.db2.gz	DXCHWNNSDLJICJ-UHFFFAOYSA-N	-1	1	349.276	2.037	20	50		EEGDMM
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826447413	607636337	/nfs/dbraw/zinc/63/63/37/607636337.db2.gz	DXCHWNNSDLJICJ-UHFFFAOYSA-N	-1	1	349.276	2.037	20	50		EEGDMM
C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1	ZINC000820706043	945532441	/nfs/dbraw/zinc/53/24/41/945532441.db2.gz	XPYZDOMQVWDLJY-JPZMSJPLSA-N	-1	1	326.360	2.062	20	50		EEGDMM
C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1	ZINC000820706043	945532447	/nfs/dbraw/zinc/53/24/47/945532447.db2.gz	XPYZDOMQVWDLJY-JPZMSJPLSA-N	-1	1	326.360	2.062	20	50		EEGDMM
C[C@H](NC(=O)NN=c1[nH]cc(F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848592619	955765814	/nfs/dbraw/zinc/76/58/14/955765814.db2.gz	WDYADUDSDDKCKF-UJNFCWOMSA-N	-1	1	342.346	2.121	20	50		EEGDMM
C[C@@H](NC(=O)NN=c1[nH]cc(F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848592537	955766635	/nfs/dbraw/zinc/76/66/35/955766635.db2.gz	WDYADUDSDDKCKF-FKTZTGRPSA-N	-1	1	342.346	2.121	20	50		EEGDMM
CCCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCC1	ZINC000821026930	945616758	/nfs/dbraw/zinc/61/67/58/945616758.db2.gz	HYOHYZHTQZBZKG-UHFFFAOYSA-N	-1	1	333.396	2.392	20	50		EEGDMM
O=C([O-])Nc1ccc(C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)cc1	ZINC000832839199	604005663	/nfs/dbraw/zinc/00/56/63/604005663.db2.gz	SSCQDCGVYBQIOY-UHFFFAOYSA-N	-1	1	339.311	2.182	20	50		EEGDMM
CCOC(=O)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)n1	ZINC000821342718	945675643	/nfs/dbraw/zinc/67/56/43/945675643.db2.gz	FHJMNDHUBYEWAG-VMPITWQZSA-N	-1	1	342.340	2.157	20	50		EEGDMM
CCOC(=O)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)n1	ZINC000821342718	945675647	/nfs/dbraw/zinc/67/56/47/945675647.db2.gz	FHJMNDHUBYEWAG-VMPITWQZSA-N	-1	1	342.340	2.157	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1F	ZINC000823273749	946388637	/nfs/dbraw/zinc/38/86/37/946388637.db2.gz	WRKMIKATVYAKLT-UHFFFAOYSA-N	-1	1	334.698	2.016	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1F	ZINC000823273749	946388647	/nfs/dbraw/zinc/38/86/47/946388647.db2.gz	WRKMIKATVYAKLT-UHFFFAOYSA-N	-1	1	334.698	2.016	20	50		EEGDMM
CC(=NNC(=O)c1[nH]nc2c1CCCC2)c1ccc(C(=O)[O-])cc1	ZINC001323088886	961016411	/nfs/dbraw/zinc/01/64/11/961016411.db2.gz	QNPGJLGWPWQHDU-UHFFFAOYSA-N	-1	1	326.356	2.141	20	50		EEGDMM
C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594448264	999643415	/nfs/dbraw/zinc/64/34/15/999643415.db2.gz	QAJQHPRYTXANSR-CLAHSXSESA-N	-1	1	332.335	2.056	20	50		EEGDMM
C[C@H](C(=O)[O-])C(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl	ZINC001588573918	959203680	/nfs/dbraw/zinc/20/36/80/959203680.db2.gz	NWBLYVVSUVIZRK-YFKPBYRVSA-N	-1	1	344.751	2.176	20	50		EEGDMM
CN(C)[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccsc1	ZINC001598171012	990703972	/nfs/dbraw/zinc/70/39/72/990703972.db2.gz	RDVZSMBPDTWIBN-CQSZACIVSA-N	-1	1	348.428	2.375	20	50		EEGDMM
C[C@@H]1CC[C@H](C)N1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833605052	605247775	/nfs/dbraw/zinc/24/77/75/605247775.db2.gz	WNHMPUDGMHKSOP-AOOOYVTPSA-N	-1	1	325.796	2.354	20	50		EEGDMM
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738137001	945239418	/nfs/dbraw/zinc/23/94/18/945239418.db2.gz	KYLXKDYDYOUDJM-UHFFFAOYSA-N	-1	1	349.276	2.037	20	50		EEGDMM
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738137001	945239429	/nfs/dbraw/zinc/23/94/29/945239429.db2.gz	KYLXKDYDYOUDJM-UHFFFAOYSA-N	-1	1	349.276	2.037	20	50		EEGDMM
CCOC(=O)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)n1	ZINC000821342722	945675183	/nfs/dbraw/zinc/67/51/83/945675183.db2.gz	FHJMNDHUBYEWAG-YVMONPNESA-N	-1	1	342.340	2.157	20	50		EEGDMM
CCOC(=O)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)n1	ZINC000821342722	945675188	/nfs/dbraw/zinc/67/51/88/945675188.db2.gz	FHJMNDHUBYEWAG-YVMONPNESA-N	-1	1	342.340	2.157	20	50		EEGDMM
Cc1c(C(=O)[O-])cc(C=NNC(=O)c2ccc(O)c(Cl)c2)n1C	ZINC001599984097	986206183	/nfs/dbraw/zinc/20/61/83/986206183.db2.gz	AFBVOFKTQYDAGR-UHFFFAOYSA-N	-1	1	335.747	2.155	20	50		EEGDMM
CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948534	608093190	/nfs/dbraw/zinc/09/31/90/608093190.db2.gz	QVUPWUPLWRGVFR-UHFFFAOYSA-N	-1	1	344.375	2.150	20	50		EEGDMM
CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1)C1CCCCC1	ZINC000821569683	945718945	/nfs/dbraw/zinc/71/89/45/945718945.db2.gz	RVNVHPFTNXFUHO-PKNBQFBNSA-N	-1	1	326.360	2.158	20	50		EEGDMM
CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1)C1CCCCC1	ZINC000821569683	945718950	/nfs/dbraw/zinc/71/89/50/945718950.db2.gz	RVNVHPFTNXFUHO-PKNBQFBNSA-N	-1	1	326.360	2.158	20	50		EEGDMM
O=C([O-])/C=C\c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)co1	ZINC001606063670	973193081	/nfs/dbraw/zinc/19/30/81/973193081.db2.gz	CXMLKIOSQSMPES-WAYWQWQTSA-N	-1	1	340.291	2.198	20	50		EEGDMM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1	ZINC000833149513	601324907	/nfs/dbraw/zinc/32/49/07/601324907.db2.gz	SBYPCDQFEINSNY-VXGBXAGGSA-N	-1	1	330.340	2.085	20	50		EEGDMM
O=C(Cc1cccc2ccccc21)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823112295	946316139	/nfs/dbraw/zinc/31/61/39/946316139.db2.gz	WIFQWEUJECILJP-UHFFFAOYSA-N	-1	1	346.350	2.306	20	50		EEGDMM
O=C(Cc1cccc2ccccc21)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823112295	946316149	/nfs/dbraw/zinc/31/61/49/946316149.db2.gz	WIFQWEUJECILJP-UHFFFAOYSA-N	-1	1	346.350	2.306	20	50		EEGDMM
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000823082865	946308168	/nfs/dbraw/zinc/30/81/68/946308168.db2.gz	UQIWYMBWJXHXPN-UHFFFAOYSA-N	-1	1	346.803	2.274	20	50		EEGDMM
O=C([O-])c1cccnc1NS(=O)(=O)c1ccc(CCCl)cc1	ZINC001595262418	949690308	/nfs/dbraw/zinc/69/03/08/949690308.db2.gz	CIYNYAJQYXMFLQ-UHFFFAOYSA-N	-1	1	340.788	2.362	20	50		EEGDMM
C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001594448267	999643538	/nfs/dbraw/zinc/64/35/38/999643538.db2.gz	QAJQHPRYTXANSR-XLKFXECMSA-N	-1	1	332.335	2.056	20	50		EEGDMM
COc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)c1	ZINC000821871860	945892078	/nfs/dbraw/zinc/89/20/78/945892078.db2.gz	GSLJPFYQTOOCMH-JXMROGBWSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1	ZINC000821871860	945892089	/nfs/dbraw/zinc/89/20/89/945892089.db2.gz	GSLJPFYQTOOCMH-JXMROGBWSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1cccc(NNC(=O)Nc2cccc(CCC(=O)[O-])c2)n1	ZINC001599679858	994960958	/nfs/dbraw/zinc/96/09/58/994960958.db2.gz	MCHOPIIFTOEBGZ-UHFFFAOYSA-N	-1	1	330.344	2.256	20	50		EEGDMM
O=C([O-])C=Cc1cc(C(=O)NNc2nccnc2C2CCC2)co1	ZINC001574666786	962519608	/nfs/dbraw/zinc/51/96/08/962519608.db2.gz	GSGKZAZFPJYPBD-PLNGDYQASA-N	-1	1	328.328	2.192	20	50		EEGDMM
CC(=NNC(=O)Cc1ccccc1C)c1ccc(-c2nn[n-]n2)s1	ZINC000823948522	608095135	/nfs/dbraw/zinc/09/51/35/608095135.db2.gz	QMNQARVBNJFHLH-UHFFFAOYSA-N	-1	1	340.412	2.320	20	50		EEGDMM
COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1	ZINC000821898588	945900391	/nfs/dbraw/zinc/90/03/91/945900391.db2.gz	QPGYTJJZTGPRKT-NTMALXAHSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1	ZINC000821898588	945900397	/nfs/dbraw/zinc/90/03/97/945900397.db2.gz	QPGYTJJZTGPRKT-NTMALXAHSA-N	-1	1	336.311	2.014	20	50		EEGDMM
Cc1ccc([C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)o1	ZINC000822227820	946008167	/nfs/dbraw/zinc/00/81/67/946008167.db2.gz	WYXSMQICYOBOGU-SECBINFHSA-N	-1	1	345.363	2.126	20	50		EEGDMM
Cc1cscc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000822414898	946083182	/nfs/dbraw/zinc/08/31/82/946083182.db2.gz	ZNPQGUYPWYTAMM-UHFFFAOYSA-N	-1	1	333.377	2.105	20	50		EEGDMM
COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)o2)cc1	ZINC000821831710	945879239	/nfs/dbraw/zinc/87/92/39/945879239.db2.gz	KDNZNVWRFKTSDJ-CSKARUKUSA-N	-1	1	336.311	2.014	20	50		EEGDMM
COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)cc1	ZINC000821831710	945879251	/nfs/dbraw/zinc/87/92/51/945879251.db2.gz	KDNZNVWRFKTSDJ-CSKARUKUSA-N	-1	1	336.311	2.014	20	50		EEGDMM
CC=C(C=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)CC	ZINC000820828030	945563604	/nfs/dbraw/zinc/56/36/04/945563604.db2.gz	ZMGJEGDGGDLMFX-GBLFQTLVSA-N	-1	1	331.380	2.334	20	50		EEGDMM
CC(=Cc1ccc(C)cc1)C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1	ZINC001573366540	947745971	/nfs/dbraw/zinc/74/59/71/947745971.db2.gz	SCCIDNJCOLYSAL-XFXZXTDPSA-N	-1	1	335.371	2.117	20	50		EEGDMM
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(O)c(Cl)c1	ZINC000833406597	605040017	/nfs/dbraw/zinc/04/00/17/605040017.db2.gz	OFZYQPYETJYDIC-SECBINFHSA-N	-1	1	335.747	2.257	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H]2CC[C@H](C)C2)o1	ZINC000820685199	945527356	/nfs/dbraw/zinc/52/73/56/945527356.db2.gz	TUTHVJQIGYZERP-UWVGGRQHSA-N	-1	1	333.396	2.248	20	50		EEGDMM
CCC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C	ZINC000825225341	608120878	/nfs/dbraw/zinc/12/08/78/608120878.db2.gz	RXMHSPUIZVJZRL-SNVBAGLBSA-N	-1	1	335.412	2.494	20	50		EEGDMM
CC(C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)=C1CCCC1	ZINC000819865782	945299743	/nfs/dbraw/zinc/29/97/43/945299743.db2.gz	HUKKNTKQPHZLLL-UHFFFAOYSA-N	-1	1	331.380	2.312	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2ccccc12	ZINC000823273090	946372504	/nfs/dbraw/zinc/37/25/04/946372504.db2.gz	DEINTSLGOFPSKI-UHFFFAOYSA-N	-1	1	337.368	2.173	20	50		EEGDMM
C[C@H]1CCc2n[nH]c(C(=O)NNc3cccc(C(=O)[O-])c3F)c2C1	ZINC001594447979	999642763	/nfs/dbraw/zinc/64/27/63/999642763.db2.gz	LROWTVFCVZQSGJ-QMMMGPOBSA-N	-1	1	332.335	2.129	20	50		EEGDMM
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1	ZINC000824135214	609176714	/nfs/dbraw/zinc/17/67/14/609176714.db2.gz	CAUDEQTUPZSNPZ-UHFFFAOYSA-N	-1	1	337.387	2.316	20	50		EEGDMM
CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1	ZINC000824135214	609176716	/nfs/dbraw/zinc/17/67/16/609176716.db2.gz	CAUDEQTUPZSNPZ-UHFFFAOYSA-N	-1	1	337.387	2.316	20	50		EEGDMM
Cc1c(C(=O)NNc2cccc(C(=O)[O-])c2F)ccc2cncn21	ZINC001599982328	986181041	/nfs/dbraw/zinc/18/10/41/986181041.db2.gz	PNOQYYWNBKTJFL-UHFFFAOYSA-N	-1	1	328.303	2.237	20	50		EEGDMM
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc2ccccc2cc1[O-]	ZINC000826448910	607464249	/nfs/dbraw/zinc/46/42/49/607464249.db2.gz	RRTTVZIPNDABOD-UHFFFAOYSA-N	-1	1	346.350	2.482	20	50		EEGDMM
CC(C)(CNC(=O)NNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000826586088	601670994	/nfs/dbraw/zinc/67/09/94/601670994.db2.gz	XXDURMFDBNRUPD-UHFFFAOYSA-N	-1	1	348.186	2.048	20	50		EEGDMM
CCC(CC)[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000825097363	608060267	/nfs/dbraw/zinc/06/02/67/608060267.db2.gz	VXBWLJDIZHVPPT-VIFPVBQESA-N	-1	1	335.412	2.494	20	50		EEGDMM
CSc1nn(-c2ccccc2)c(NC=C(C#N)C#N)c1-c1nnn[n-]1	ZINC000737190294	944981104	/nfs/dbraw/zinc/98/11/04/944981104.db2.gz	XOGFZPKVYVBVBZ-UHFFFAOYSA-N	-1	1	349.383	2.117	20	50		EEGDMM
CSc1nn(-c2ccccc2)c(NC=C(C#N)C#N)c1-c1nn[n-]n1	ZINC000737190294	944981109	/nfs/dbraw/zinc/98/11/09/944981109.db2.gz	XOGFZPKVYVBVBZ-UHFFFAOYSA-N	-1	1	349.383	2.117	20	50		EEGDMM
Cc1ccc(C=C(C#N)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1	ZINC000822233836	946016539	/nfs/dbraw/zinc/01/65/39/946016539.db2.gz	WFPJXDWKTMWFOZ-OVCLIPMQSA-N	-1	1	346.350	2.221	20	50		EEGDMM
Cc1ccc(C=C(C#N)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1	ZINC000822233836	946016551	/nfs/dbraw/zinc/01/65/51/946016551.db2.gz	WFPJXDWKTMWFOZ-OVCLIPMQSA-N	-1	1	346.350	2.221	20	50		EEGDMM
O=C([O-])C1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCC1	ZINC000833135778	601424220	/nfs/dbraw/zinc/42/42/20/601424220.db2.gz	HXRRLCRNXGLKSQ-UHFFFAOYSA-N	-1	1	345.355	2.022	20	50		EEGDMM
C#CCCCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000823841905	609150812	/nfs/dbraw/zinc/15/08/12/609150812.db2.gz	UVYFCWOZTYQTKV-UHFFFAOYSA-N	-1	1	331.380	2.005	20	50		EEGDMM
Cc1ccc(F)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1	ZINC000737341849	945043844	/nfs/dbraw/zinc/04/38/44/945043844.db2.gz	AAACNGPISHIPRQ-UHFFFAOYSA-N	-1	1	345.338	2.183	20	50		EEGDMM
Cc1cc(F)ccc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000822205749	945990704	/nfs/dbraw/zinc/99/07/04/945990704.db2.gz	HHJQYWWQOZCXAA-UHFFFAOYSA-N	-1	1	345.338	2.183	20	50		EEGDMM
CC(C)c1nccnc1NNC(=O)CCc1ccccc1C(=O)[O-]	ZINC001592039851	976764624	/nfs/dbraw/zinc/76/46/24/976764624.db2.gz	QBAMTBAHDBGTKK-UHFFFAOYSA-N	-1	1	328.372	2.374	20	50		EEGDMM
COc1cc(C(=O)[O-])ccc1NNC(=O)c1sccc1CN(C)C	ZINC001599377607	998514029	/nfs/dbraw/zinc/51/40/29/998514029.db2.gz	GMVHJBDAXUVBIA-UHFFFAOYSA-N	-1	1	349.412	2.273	20	50		EEGDMM
O=C(NN=c1[nH]ccc2sccc21)c1ccc(-c2nnn[n-]2)s1	ZINC000823285390	606598079	/nfs/dbraw/zinc/59/80/79/606598079.db2.gz	RXZYISFUEIZSFS-UHFFFAOYSA-N	-1	1	343.397	2.295	20	50		EEGDMM
O=C(NN=c1[nH]ccc2sccc21)c1ccc(-c2nn[n-]n2)s1	ZINC000823285390	606598080	/nfs/dbraw/zinc/59/80/80/606598080.db2.gz	RXZYISFUEIZSFS-UHFFFAOYSA-N	-1	1	343.397	2.295	20	50		EEGDMM
CCC[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C	ZINC000825225335	608120700	/nfs/dbraw/zinc/12/07/00/608120700.db2.gz	RXMHSPUIZVJZRL-JTQLQIEISA-N	-1	1	335.412	2.494	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)o1	ZINC000824877200	609151572	/nfs/dbraw/zinc/15/15/72/609151572.db2.gz	WONAYFNPYMOFTR-URLYPYJESA-N	-1	1	347.423	2.494	20	50		EEGDMM
Cc1cc(Br)c[nH]c1=NNC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001605102232	972759019	/nfs/dbraw/zinc/75/90/19/972759019.db2.gz	QFBJEAROUWMPLP-CYBMUJFWSA-N	-1	1	342.193	2.097	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CC[C@H](C)C2)o1	ZINC000820678182	945521625	/nfs/dbraw/zinc/52/16/25/945521625.db2.gz	TULSYAIZNIULPR-CBFJXKFUSA-N	-1	1	331.380	2.168	20	50		EEGDMM
CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCCC1	ZINC000820945461	945594044	/nfs/dbraw/zinc/59/40/44/945594044.db2.gz	UJYIORXGDHXVQT-UHFFFAOYSA-N	-1	1	333.396	2.392	20	50		EEGDMM
O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)s1	ZINC000833149339	601324998	/nfs/dbraw/zinc/32/49/98/601324998.db2.gz	NIRXYEHYBMTMSQ-UHFFFAOYSA-N	-1	1	330.321	2.267	20	50		EEGDMM
O=C([O-])C1(C(=O)NN=c2cccc(Br)[nH]2)CCCCC1	ZINC001605935482	972873558	/nfs/dbraw/zinc/87/35/58/972873558.db2.gz	KSSUPMSROBZGJC-UHFFFAOYSA-N	-1	1	342.193	2.322	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CC2=CCCCC2)o1	ZINC000735939190	944720465	/nfs/dbraw/zinc/72/04/65/944720465.db2.gz	KULPECPTCMHKDJ-UHFFFAOYSA-N	-1	1	331.380	2.312	20	50		EEGDMM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1nc(C(F)(F)F)cs1	ZINC000826800926	601799203	/nfs/dbraw/zinc/79/92/03/601799203.db2.gz	RKUGOFAHPXKPKI-ZCFIWIBFSA-N	-1	1	340.327	2.287	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CC23CCCC3)o1	ZINC000820203034	945378063	/nfs/dbraw/zinc/37/80/63/945378063.db2.gz	OQCYXYOSAJQKBT-VIFPVBQESA-N	-1	1	331.380	2.002	20	50		EEGDMM
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823087184	946307817	/nfs/dbraw/zinc/30/78/17/946307817.db2.gz	JQQUGMWHWHYLBC-UHFFFAOYSA-N	-1	1	346.350	2.306	20	50		EEGDMM
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823087184	946307825	/nfs/dbraw/zinc/30/78/25/946307825.db2.gz	JQQUGMWHWHYLBC-UHFFFAOYSA-N	-1	1	346.350	2.306	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1nnc2n1CCCCC2	ZINC000822796649	946187409	/nfs/dbraw/zinc/18/74/09/946187409.db2.gz	UEWZGIJBZQUHJF-NTMALXAHSA-N	-1	1	338.400	2.310	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1	ZINC000823273353	946377648	/nfs/dbraw/zinc/37/76/48/946377648.db2.gz	KOEIQEPHQRYIDF-UHFFFAOYSA-N	-1	1	332.776	2.346	20	50		EEGDMM
O=C([O-])CCCCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000739670947	955255038	/nfs/dbraw/zinc/25/50/38/955255038.db2.gz	LLFYDLJICUHQOD-UHFFFAOYSA-N	-1	1	348.186	2.192	20	50		EEGDMM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1nccnc1C1CCC1	ZINC001599957337	985710589	/nfs/dbraw/zinc/71/05/89/985710589.db2.gz	PCVSHKALNPNQNI-UHFFFAOYSA-N	-1	1	329.360	2.144	20	50		EEGDMM
CC(C)C[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000735761945	944699835	/nfs/dbraw/zinc/69/98/35/944699835.db2.gz	SELPSZGYXUAORE-SNVBAGLBSA-N	-1	1	335.412	2.494	20	50		EEGDMM
O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2ccccc2c1[O-]	ZINC000826449049	607464188	/nfs/dbraw/zinc/46/41/88/607464188.db2.gz	ZEZGVNBFPQQAIX-UHFFFAOYSA-N	-1	1	346.350	2.482	20	50		EEGDMM
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000821727375	945850252	/nfs/dbraw/zinc/85/02/52/945850252.db2.gz	IVSBQMXMEWGJGE-UHFFFAOYSA-N	-1	1	347.312	2.064	20	50		EEGDMM
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000821727375	945850263	/nfs/dbraw/zinc/85/02/63/945850263.db2.gz	IVSBQMXMEWGJGE-UHFFFAOYSA-N	-1	1	347.312	2.064	20	50		EEGDMM
Cc1cccc(C)c1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000822294368	946049754	/nfs/dbraw/zinc/04/97/54/946049754.db2.gz	YFCJIVRBVNXUQC-UHFFFAOYSA-N	-1	1	341.375	2.352	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1cccc2ccccc21	ZINC000823273750	946389105	/nfs/dbraw/zinc/38/91/05/946389105.db2.gz	WRZXAGRFOGFYLV-UHFFFAOYSA-N	-1	1	332.323	2.377	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1cccc2ccccc21	ZINC000823273750	946389117	/nfs/dbraw/zinc/38/91/17/946389117.db2.gz	WRZXAGRFOGFYLV-UHFFFAOYSA-N	-1	1	332.323	2.377	20	50		EEGDMM
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2nnn[n-]2)s1	ZINC000823281199	606595353	/nfs/dbraw/zinc/59/53/53/606595353.db2.gz	NSBYOBXFQWRQBF-UHFFFAOYSA-N	-1	1	340.290	2.102	20	50		EEGDMM
O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2nn[n-]n2)s1	ZINC000823281199	606595356	/nfs/dbraw/zinc/59/53/56/606595356.db2.gz	NSBYOBXFQWRQBF-UHFFFAOYSA-N	-1	1	340.290	2.102	20	50		EEGDMM
O=C([O-])c1ccc[nH]c1=NNC(=O)c1n[nH]c2ccc(Cl)cc21	ZINC001595262330	949687567	/nfs/dbraw/zinc/68/75/67/949687567.db2.gz	ZBTAZXCKJNSFCI-UHFFFAOYSA-N	-1	1	331.719	2.066	20	50		EEGDMM
O=C([O-])c1ccc(C(=O)NNc2ccnc3ccccc32)cc1F	ZINC000833148980	604263332	/nfs/dbraw/zinc/26/33/32/604263332.db2.gz	VPUZYECTAMCXDL-UHFFFAOYSA-N	-1	1	325.299	2.251	20	50		EEGDMM
CC(=NNC(=O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)s1	ZINC000823948073	608093982	/nfs/dbraw/zinc/09/39/82/608093982.db2.gz	CNTDAKWAIAVISN-UHFFFAOYSA-N	-1	1	344.375	2.150	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cccn2C(C)C)o1	ZINC000824359615	608120379	/nfs/dbraw/zinc/12/03/79/608120379.db2.gz	YKBWZXNVUGGSOO-UHFFFAOYSA-N	-1	1	344.379	2.117	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1cccc2c1OCCO2	ZINC000826379232	608213849	/nfs/dbraw/zinc/21/38/49/608213849.db2.gz	MSVZLMHQPUNIMM-NTMALXAHSA-N	-1	1	349.306	2.021	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1cccc2c1OCCO2	ZINC000826379232	608213851	/nfs/dbraw/zinc/21/38/51/608213851.db2.gz	MSVZLMHQPUNIMM-NTMALXAHSA-N	-1	1	349.306	2.021	20	50		EEGDMM
C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1	ZINC000820706041	945531435	/nfs/dbraw/zinc/53/14/35/945531435.db2.gz	XPYZDOMQVWDLJY-CSCCQICZSA-N	-1	1	326.360	2.062	20	50		EEGDMM
C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1	ZINC000820706041	945531444	/nfs/dbraw/zinc/53/14/44/945531444.db2.gz	XPYZDOMQVWDLJY-CSCCQICZSA-N	-1	1	326.360	2.062	20	50		EEGDMM
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(O)c(Cl)c1	ZINC000833406599	605039954	/nfs/dbraw/zinc/03/99/54/605039954.db2.gz	OFZYQPYETJYDIC-VIFPVBQESA-N	-1	1	335.747	2.257	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCC[C@H](C)C2)o1	ZINC000736244983	944776966	/nfs/dbraw/zinc/77/69/66/944776966.db2.gz	QMIABKNECHNKQZ-VHSXEESVSA-N	-1	1	333.396	2.248	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)C2CCCC2)o1	ZINC000820203894	945380522	/nfs/dbraw/zinc/38/05/22/945380522.db2.gz	YYAYTIFUNRIXQU-SECBINFHSA-N	-1	1	333.396	2.248	20	50		EEGDMM
Cn1nccc1[C@H](NCc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC001594595022	956078998	/nfs/dbraw/zinc/07/89/98/956078998.db2.gz	LAQPLNBRXJHPPL-HNNXBMFYSA-N	-1	1	337.807	2.343	20	50		EEGDMM
C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl	ZINC001588573917	959204581	/nfs/dbraw/zinc/20/45/81/959204581.db2.gz	NWBLYVVSUVIZRK-RXMQYKEDSA-N	-1	1	344.751	2.176	20	50		EEGDMM
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)s1	ZINC000823281831	606599633	/nfs/dbraw/zinc/59/96/33/606599633.db2.gz	ZJCXMBCBNNCOLL-UHFFFAOYSA-N	-1	1	340.290	2.102	20	50		EEGDMM
O=C(NNc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)s1	ZINC000823281831	606599634	/nfs/dbraw/zinc/59/96/34/606599634.db2.gz	ZJCXMBCBNNCOLL-UHFFFAOYSA-N	-1	1	340.290	2.102	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)c1cccc2c1OCCO2	ZINC000826379231	608213577	/nfs/dbraw/zinc/21/35/77/608213577.db2.gz	MSVZLMHQPUNIMM-CSKARUKUSA-N	-1	1	349.306	2.021	20	50		EEGDMM
N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1cccc2c1OCCO2	ZINC000826379231	608213578	/nfs/dbraw/zinc/21/35/78/608213578.db2.gz	MSVZLMHQPUNIMM-CSKARUKUSA-N	-1	1	349.306	2.021	20	50		EEGDMM
O=C([O-])CCCNC(=O)NN=c1[nH]cc(C(F)(F)F)cc1Cl	ZINC000819443073	955446175	/nfs/dbraw/zinc/44/61/75/955446175.db2.gz	KHBOTHIHSGDESG-UHFFFAOYSA-N	-1	1	340.689	2.245	20	50		EEGDMM
O=C([O-])Nc1cccc(C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)c1	ZINC000833291180	602049300	/nfs/dbraw/zinc/04/93/00/602049300.db2.gz	IOOFFKPDFFJLQX-UHFFFAOYSA-N	-1	1	339.311	2.182	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCC(F)(F)F)o1	ZINC000824358288	608157671	/nfs/dbraw/zinc/15/76/71/608157671.db2.gz	FXFPIUYTMJIWHF-UHFFFAOYSA-N	-1	1	347.301	2.154	20	50		EEGDMM
COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H](C)N1CCCCCC1	ZINC001599376241	998490470	/nfs/dbraw/zinc/49/04/70/998490470.db2.gz	NUHBDGGYPZZASH-LBPRGKRZSA-N	-1	1	335.404	2.101	20	50		EEGDMM
C[C@H]1CCc2n[nH]c(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)c2C1	ZINC001594448097	999643028	/nfs/dbraw/zinc/64/30/28/999643028.db2.gz	OWHVAEBYRFQMMH-QMMMGPOBSA-N	-1	1	332.335	2.129	20	50		EEGDMM
CC(C)C[C@H](CNC(=O)NN=c1[nH]cc(F)cc1F)CC(=O)[O-]	ZINC000851651278	969275783	/nfs/dbraw/zinc/27/57/83/969275783.db2.gz	KCQJQONQSFPEED-VIFPVBQESA-N	-1	1	330.335	2.123	20	50		EEGDMM
COc1ccc(=NNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[nH]c1	ZINC001599598208	993776778	/nfs/dbraw/zinc/77/67/78/993776778.db2.gz	PWOYHJRZJSVKPL-UHFFFAOYSA-N	-1	1	334.307	2.005	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CC[C@@H](C)C2)o1	ZINC000820678185	945520888	/nfs/dbraw/zinc/52/08/88/945520888.db2.gz	TULSYAIZNIULPR-SBMLRHLQSA-N	-1	1	331.380	2.168	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H]2CC[C@@H](C)C2)o1	ZINC000820685206	945526241	/nfs/dbraw/zinc/52/62/41/945526241.db2.gz	TUTHVJQIGYZERP-ZJUUUORDSA-N	-1	1	333.396	2.248	20	50		EEGDMM
Cc1n[nH]c(C(F)(F)F)c1C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001599967381	985932623	/nfs/dbraw/zinc/93/26/23/985932623.db2.gz	MNSBYGNCWMGDJI-UHFFFAOYSA-N	-1	1	346.240	2.331	20	50		EEGDMM
Cc1cc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)c2ccccc2n1	ZINC000822176600	945972082	/nfs/dbraw/zinc/97/20/82/945972082.db2.gz	MONZSLDNNHXLKW-UHFFFAOYSA-N	-1	1	347.338	2.080	20	50		EEGDMM
Cc1cc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)c2ccccc2n1	ZINC000822176600	945972089	/nfs/dbraw/zinc/97/20/89/945972089.db2.gz	MONZSLDNNHXLKW-UHFFFAOYSA-N	-1	1	347.338	2.080	20	50		EEGDMM
CC(=NNC(=O)c1[nH]nc2c1CCCC2)c1cc(C(=O)[O-])cs1	ZINC001330310185	961341617	/nfs/dbraw/zinc/34/16/17/961341617.db2.gz	DXBGKEWJXUFTBC-UHFFFAOYSA-N	-1	1	332.385	2.202	20	50		EEGDMM
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NN=c1[nH]ccnc1C1CCC1	ZINC001589205823	956664448	/nfs/dbraw/zinc/66/44/48/956664448.db2.gz	MXWWWYRDPGGZEJ-UHFFFAOYSA-N	-1	1	332.404	2.324	20	50		EEGDMM
O=C([O-])CCCCCNC(=O)NNC(=O)c1cc2ccccc2o1	ZINC000819401285	955444226	/nfs/dbraw/zinc/44/42/26/955444226.db2.gz	VPEOYEOXFCJKIO-UHFFFAOYSA-N	-1	1	333.344	2.022	20	50		EEGDMM
Cc1cc(Br)c[nH]c1=NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001594273383	957688510	/nfs/dbraw/zinc/68/85/10/957688510.db2.gz	GPKSISRBECBUJK-DTWKUNHWSA-N	-1	1	342.193	2.097	20	50		EEGDMM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NN=c1cccc(Br)[nH]1	ZINC001588633962	959633923	/nfs/dbraw/zinc/63/39/23/959633923.db2.gz	MKXLWDKWOUCGLR-VIFPVBQESA-N	-1	1	330.182	2.034	20	50		EEGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2C[C@H](C)C[C@@H](C)C2)o1	ZINC000824877199	609151311	/nfs/dbraw/zinc/15/13/11/609151311.db2.gz	WONAYFNPYMOFTR-NXEZZACHSA-N	-1	1	347.423	2.494	20	50		EEGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cc2c(s1)CCC2	ZINC000823273198	946376020	/nfs/dbraw/zinc/37/60/20/946376020.db2.gz	HSDINKUZGPSQMM-UHFFFAOYSA-N	-1	1	344.425	2.242	20	50		EEGDMM
O=C([O-])c1ccc(NC(=O)NNc2ccnc3cccnc32)c(F)c1	ZINC001594781529	953634543	/nfs/dbraw/zinc/63/45/43/953634543.db2.gz	CPYZFPVVJNKXOA-UHFFFAOYSA-N	-1	1	341.302	2.038	20	50		EEGDMM
Cc1ccc(C=C(C#N)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1	ZINC000822233835	946017537	/nfs/dbraw/zinc/01/75/37/946017537.db2.gz	WFPJXDWKTMWFOZ-NVNXTCNLSA-N	-1	1	346.350	2.221	20	50		EEGDMM
Cc1ccc(C=C(C#N)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1	ZINC000822233835	946017545	/nfs/dbraw/zinc/01/75/45/946017545.db2.gz	WFPJXDWKTMWFOZ-NVNXTCNLSA-N	-1	1	346.350	2.221	20	50		EEGDMM
O=C([O-])[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C1CCCC1	ZINC001594836419	954028291	/nfs/dbraw/zinc/02/82/91/954028291.db2.gz	UJGHCWNRBASCLZ-NSHDSACASA-N	-1	1	331.294	2.435	20	50		EEGDMM
C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1	ZINC000820706045	945532516	/nfs/dbraw/zinc/53/25/16/945532516.db2.gz	XPYZDOMQVWDLJY-RGRUTMMBSA-N	-1	1	326.360	2.062	20	50		EEGDMM
C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1	ZINC000820706045	945532522	/nfs/dbraw/zinc/53/25/22/945532522.db2.gz	XPYZDOMQVWDLJY-RGRUTMMBSA-N	-1	1	326.360	2.062	20	50		EEGDMM
Cn1nccc1[C@@H](NCc1ccc(OCCCCl)cc1)C(=O)[O-]	ZINC001594595023	956078934	/nfs/dbraw/zinc/07/89/34/956078934.db2.gz	LAQPLNBRXJHPPL-OAHLLOKOSA-N	-1	1	337.807	2.343	20	50		EEGDMM
CC(=Cc1ccc(C)cc1)C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1	ZINC001573366539	947744987	/nfs/dbraw/zinc/74/49/87/947744987.db2.gz	SCCIDNJCOLYSAL-FMIVXFBMSA-N	-1	1	335.371	2.117	20	50		EEGDMM
C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001594448084	999643143	/nfs/dbraw/zinc/64/31/43/999643143.db2.gz	OSBHSIJOAMGNPB-CLAHSXSESA-N	-1	1	332.335	2.056	20	50		EEGDMM
O=C([O-])c1ccccc1CC(=O)NNc1nccnc1C1CCC1	ZINC001594709994	956873270	/nfs/dbraw/zinc/87/32/70/956873270.db2.gz	VBWWFTKWJTVOIC-UHFFFAOYSA-N	-1	1	326.356	2.128	20	50		EEGDMM
CC(=NNC(=O)NC1CCCCC1)c1ccc(-c2nn[n-]n2)s1	ZINC000823948786	608091792	/nfs/dbraw/zinc/09/17/92/608091792.db2.gz	XXNFYUZHZYOODB-UHFFFAOYSA-N	-1	1	333.421	2.284	20	50		EEGDMM
O=C([O-])c1ccccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1	ZINC001611344497	971000768	/nfs/dbraw/zinc/00/07/68/971000768.db2.gz	JXBAPESZJXUCQJ-UHFFFAOYSA-N	-1	1	349.730	2.210	20	50		EEGDMM
COc1ccc(=NNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)[nH]c1	ZINC001599598335	993779242	/nfs/dbraw/zinc/77/92/42/993779242.db2.gz	XFZMGCZAQKGMRZ-SNVBAGLBSA-N	-1	1	330.344	2.427	20	50		EEGDMM
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1	ZINC000823281525	606600759	/nfs/dbraw/zinc/60/07/59/606600759.db2.gz	UCXLAHDVHUALIZ-UHFFFAOYSA-N	-1	1	340.290	2.102	20	50		EEGDMM
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1	ZINC000823281525	606600760	/nfs/dbraw/zinc/60/07/60/606600760.db2.gz	UCXLAHDVHUALIZ-UHFFFAOYSA-N	-1	1	340.290	2.102	20	50		EEGDMM
O=C([O-])CCC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl	ZINC001606101810	973280708	/nfs/dbraw/zinc/28/07/08/973280708.db2.gz	NXRGLCOMNOHZQL-UHFFFAOYSA-N	-1	1	344.751	2.320	20	50		EEGDMM
COc1ccccc1C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1	ZINC000826218297	608095043	/nfs/dbraw/zinc/09/50/43/608095043.db2.gz	XTOLIHSPFNYNKY-UHFFFAOYSA-N	-1	1	342.384	2.091	20	50		EEGDMM
C[C@@H](CC(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)c1ccccc1F	ZINC001574509813	950529556	/nfs/dbraw/zinc/52/95/56/950529556.db2.gz	YLBJEZDERQGTJI-JTQLQIEISA-N	-1	1	341.350	2.038	20	50		EEGDMM