smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1	ZINC000060242189	530363541	/nfs/dbraw/zinc/36/35/41/530363541.db2.gz	SAUOOZZWXBPGDS-UHFFFAOYSA-N	-1	1	385.427	-0.075	20	30		GBEDMM
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1	ZINC000060242189	530363538	/nfs/dbraw/zinc/36/35/38/530363538.db2.gz	SAUOOZZWXBPGDS-UHFFFAOYSA-N	-1	1	385.427	-0.075	20	30		GBEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)[O-])c(F)c1	ZINC000275059776	530110366	/nfs/dbraw/zinc/11/03/66/530110366.db2.gz	YOSJOWUPRQDOFC-GFCCVEGCSA-N	-1	1	375.353	-0.100	20	30		GBEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)[O-])c(F)c1	ZINC000275059778	530110526	/nfs/dbraw/zinc/11/05/26/530110526.db2.gz	YOSJOWUPRQDOFC-LBPRGKRZSA-N	-1	1	375.353	-0.100	20	30		GBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@H]2CCCCO2)o1	ZINC000286972297	530094304	/nfs/dbraw/zinc/09/43/04/530094304.db2.gz	RWZODXIZVXEGFV-GFCCVEGCSA-N	-1	1	377.444	-0.082	20	30		GBEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@@H]2CCCCO2)o1	ZINC000286972300	530094336	/nfs/dbraw/zinc/09/43/36/530094336.db2.gz	RWZODXIZVXEGFV-LBPRGKRZSA-N	-1	1	377.444	-0.082	20	30		GBEDMM
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000348355696	530330380	/nfs/dbraw/zinc/33/03/80/530330380.db2.gz	USCVWIDBENWPNF-UHFFFAOYSA-N	-1	1	378.480	-0.713	20	30		GBEDMM
CN(C)c1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n1	ZINC000348357540	530074039	/nfs/dbraw/zinc/07/40/39/530074039.db2.gz	WRCHEYRPSWRFQX-UHFFFAOYSA-N	-1	1	391.479	-0.822	20	30		GBEDMM
CN(C)c1n[nH]c([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1	ZINC000348477175	530331611	/nfs/dbraw/zinc/33/16/11/530331611.db2.gz	RDEXFLXVPNEOMN-UHFFFAOYSA-N	-1	1	391.479	-0.822	20	30		GBEDMM
N#CCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1	ZINC000349447770	530332683	/nfs/dbraw/zinc/33/26/83/530332683.db2.gz	JJFLQUJAEXRMTA-UHFFFAOYSA-N	-1	1	395.409	-0.121	20	30		GBEDMM
Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)nc1	ZINC000349451522	530076350	/nfs/dbraw/zinc/07/63/50/530076350.db2.gz	BZRVVQSPQUAVKE-UHFFFAOYSA-N	-1	1	388.471	-0.188	20	30		GBEDMM
CN1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)CC1=O	ZINC000349453858	530332727	/nfs/dbraw/zinc/33/27/27/530332727.db2.gz	FWNFQZPGSQFMHM-UHFFFAOYSA-N	-1	1	387.443	-0.854	20	30		GBEDMM
C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349454279	530332518	/nfs/dbraw/zinc/33/25/18/530332518.db2.gz	BENKXJPGGIKRCH-AAEUAGOBSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349454281	530332802	/nfs/dbraw/zinc/33/28/02/530332802.db2.gz	BENKXJPGGIKRCH-DGCLKSJQSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349454282	530332760	/nfs/dbraw/zinc/33/27/60/530332760.db2.gz	BENKXJPGGIKRCH-WCQYABFASA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349454283	530332665	/nfs/dbraw/zinc/33/26/65/530332665.db2.gz	BENKXJPGGIKRCH-YPMHNXCESA-N	-1	1	388.471	-0.130	20	30		GBEDMM
Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1	ZINC000349454448	530076341	/nfs/dbraw/zinc/07/63/41/530076341.db2.gz	GTGQJCQFGXJASR-UHFFFAOYSA-N	-1	1	388.471	-0.188	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)nc1	ZINC000349458690	530171380	/nfs/dbraw/zinc/17/13/80/530171380.db2.gz	FQHCINVVIYKJIS-TXEJJXNPSA-N	-1	1	394.425	0.407	20	30		GBEDMM
CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(CC#N)ccn2)C1	ZINC000349458894	530077200	/nfs/dbraw/zinc/07/72/00/530077200.db2.gz	GPFXTQWFIRPYJK-UHFFFAOYSA-N	-1	1	388.471	-0.324	20	30		GBEDMM
C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349460119	530171068	/nfs/dbraw/zinc/17/10/68/530171068.db2.gz	IEGLAHBSLWABSF-AAEUAGOBSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349460138	530168587	/nfs/dbraw/zinc/16/85/87/530168587.db2.gz	IEGLAHBSLWABSF-DGCLKSJQSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349460142	530171464	/nfs/dbraw/zinc/17/14/64/530171464.db2.gz	IEGLAHBSLWABSF-WCQYABFASA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349460147	530169718	/nfs/dbraw/zinc/16/97/18/530169718.db2.gz	IEGLAHBSLWABSF-YPMHNXCESA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349460320	530333225	/nfs/dbraw/zinc/33/32/25/530333225.db2.gz	HAWTXRRTUCAMSF-DGCLKSJQSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C1	ZINC000349460369	530077411	/nfs/dbraw/zinc/07/74/11/530077411.db2.gz	PBLRNPTUFFCEQR-UHFFFAOYSA-N	-1	1	392.434	-0.357	20	30		GBEDMM
CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349461927	530333073	/nfs/dbraw/zinc/33/30/73/530333073.db2.gz	AHDFAVBZFKQACL-UHFFFAOYSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349462173	530175118	/nfs/dbraw/zinc/17/51/18/530175118.db2.gz	KZZSDGKCBDHIJI-CYBMUJFWSA-N	-1	1	388.471	0.136	20	30		GBEDMM
COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349462175	530174992	/nfs/dbraw/zinc/17/49/92/530174992.db2.gz	KZZSDGKCBDHIJI-ZDUSSCGKSA-N	-1	1	388.471	0.136	20	30		GBEDMM
Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1C	ZINC000349462664	530077935	/nfs/dbraw/zinc/07/79/35/530077935.db2.gz	SXDDRKQNQRYBTI-UHFFFAOYSA-N	-1	1	391.475	-0.551	20	30		GBEDMM
C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349462817	530332401	/nfs/dbraw/zinc/33/24/01/530332401.db2.gz	LPVFCHITCXYKDG-AAEUAGOBSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349462819	530332145	/nfs/dbraw/zinc/33/21/45/530332145.db2.gz	LPVFCHITCXYKDG-DGCLKSJQSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349462821	530332232	/nfs/dbraw/zinc/33/22/32/530332232.db2.gz	LPVFCHITCXYKDG-WCQYABFASA-N	-1	1	388.471	-0.130	20	30		GBEDMM
C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349462823	530332330	/nfs/dbraw/zinc/33/23/30/530332330.db2.gz	LPVFCHITCXYKDG-YPMHNXCESA-N	-1	1	388.471	-0.130	20	30		GBEDMM
Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1	ZINC000349463824	530078006	/nfs/dbraw/zinc/07/80/06/530078006.db2.gz	VMEIBNMGCBNLGY-UHFFFAOYSA-N	-1	1	388.471	-0.188	20	30		GBEDMM
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(SC)n[nH]1	ZINC000349464829	530078229	/nfs/dbraw/zinc/07/82/29/530078229.db2.gz	WXMQXYFVBYMXGR-UHFFFAOYSA-N	-1	1	381.505	-0.057	20	30		GBEDMM
CN1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)CC1=O	ZINC000349467985	530337859	/nfs/dbraw/zinc/33/78/59/530337859.db2.gz	UDINUISCFWOUQR-UHFFFAOYSA-N	-1	1	387.443	-0.854	20	30		GBEDMM
C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349468819	530337796	/nfs/dbraw/zinc/33/77/96/530337796.db2.gz	ADHHLIOMXRZBFR-LLVKDONJSA-N	-1	1	376.460	-0.273	20	30		GBEDMM
C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349468820	530338177	/nfs/dbraw/zinc/33/81/77/530338177.db2.gz	ADHHLIOMXRZBFR-NSHDSACASA-N	-1	1	376.460	-0.273	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)ncc1C#N	ZINC000349469587	530174751	/nfs/dbraw/zinc/17/47/51/530174751.db2.gz	WUQSQNRGQMKBRL-UHFFFAOYSA-N	-1	1	388.471	-0.210	20	30		GBEDMM
C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349469686	530169693	/nfs/dbraw/zinc/16/96/93/530169693.db2.gz	RGYNSBZAMGVXIQ-DGCLKSJQSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)ccc1C#N	ZINC000349470589	530177428	/nfs/dbraw/zinc/17/74/28/530177428.db2.gz	YMGQJZUWEADGDT-UHFFFAOYSA-N	-1	1	388.471	-0.210	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)ncc1C#N	ZINC000349470662	530175012	/nfs/dbraw/zinc/17/50/12/530175012.db2.gz	CQXVTSSWBXDWDZ-GFCCVEGCSA-N	-1	1	390.487	0.036	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)ncc1C#N	ZINC000349470663	530174850	/nfs/dbraw/zinc/17/48/50/530174850.db2.gz	CQXVTSSWBXDWDZ-LBPRGKRZSA-N	-1	1	390.487	0.036	20	30		GBEDMM
C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349471237	530338666	/nfs/dbraw/zinc/33/86/66/530338666.db2.gz	UJTDMQNVWPJQOL-DGCLKSJQSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349473203	530173699	/nfs/dbraw/zinc/17/36/99/530173699.db2.gz	HXHLVAIBSMEYAT-UHFFFAOYSA-N	-1	1	383.455	0.260	20	30		GBEDMM
C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349473436	530337843	/nfs/dbraw/zinc/33/78/43/530337843.db2.gz	HYRDTYMKDUPYKY-LLVKDONJSA-N	-1	1	376.460	-0.273	20	30		GBEDMM
C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349473437	530337719	/nfs/dbraw/zinc/33/77/19/530337719.db2.gz	HYRDTYMKDUPYKY-NSHDSACASA-N	-1	1	376.460	-0.273	20	30		GBEDMM
CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349475330	530175096	/nfs/dbraw/zinc/17/50/96/530175096.db2.gz	MJVBFOZTDPOJIF-UHFFFAOYSA-N	-1	1	388.471	0.136	20	30		GBEDMM
CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1	ZINC000349475844	530333614	/nfs/dbraw/zinc/33/36/14/530333614.db2.gz	GGOPNHJBKOFQLP-UHFFFAOYSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)ccc1C#N	ZINC000349475969	530177398	/nfs/dbraw/zinc/17/73/98/530177398.db2.gz	OBOVTGVGKPHSHN-LLVKDONJSA-N	-1	1	390.487	0.036	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)ccc1C#N	ZINC000349475971	530177309	/nfs/dbraw/zinc/17/73/09/530177309.db2.gz	OBOVTGVGKPHSHN-NSHDSACASA-N	-1	1	390.487	0.036	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)ncc1C#N	ZINC000349476953	530175074	/nfs/dbraw/zinc/17/50/74/530175074.db2.gz	HVZUPGPKMLQYKI-GFCCVEGCSA-N	-1	1	390.487	0.036	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)ncc1C#N	ZINC000349476954	530175216	/nfs/dbraw/zinc/17/52/16/530175216.db2.gz	HVZUPGPKMLQYKI-LBPRGKRZSA-N	-1	1	390.487	0.036	20	30		GBEDMM
C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349477012	530333640	/nfs/dbraw/zinc/33/36/40/530333640.db2.gz	IGDDCHSRHJPKOC-LLVKDONJSA-N	-1	1	376.460	-0.273	20	30		GBEDMM
C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349477013	530333699	/nfs/dbraw/zinc/33/36/99/530333699.db2.gz	IGDDCHSRHJPKOC-NSHDSACASA-N	-1	1	376.460	-0.273	20	30		GBEDMM
CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n1	ZINC000349478860	530080587	/nfs/dbraw/zinc/08/05/87/530080587.db2.gz	STALWBHEKMAGOE-UHFFFAOYSA-N	-1	1	394.504	-0.166	20	30		GBEDMM
CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1	ZINC000349478931	530333774	/nfs/dbraw/zinc/33/37/74/530333774.db2.gz	KZBLVVDSKXDWLD-UHFFFAOYSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349479390	530173254	/nfs/dbraw/zinc/17/32/54/530173254.db2.gz	LQRJSVXHWMTRAP-UHFFFAOYSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349481407	530170662	/nfs/dbraw/zinc/17/06/62/530170662.db2.gz	ZWLOQBMKMKQNBE-LLVKDONJSA-N	-1	1	376.460	-0.273	20	30		GBEDMM
C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349481408	530178991	/nfs/dbraw/zinc/17/89/91/530178991.db2.gz	ZWLOQBMKMKQNBE-NSHDSACASA-N	-1	1	376.460	-0.273	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)ccc1C#N	ZINC000349483242	530177248	/nfs/dbraw/zinc/17/72/48/530177248.db2.gz	QFYRHOLXNFYVGN-LLVKDONJSA-N	-1	1	390.487	0.036	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)ccc1C#N	ZINC000349483243	530177451	/nfs/dbraw/zinc/17/74/51/530177451.db2.gz	QFYRHOLXNFYVGN-NSHDSACASA-N	-1	1	390.487	0.036	20	30		GBEDMM
C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349483759	530178790	/nfs/dbraw/zinc/17/87/90/530178790.db2.gz	QYMIBWVVXBYINN-LLVKDONJSA-N	-1	1	376.460	-0.273	20	30		GBEDMM
C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349483760	530170480	/nfs/dbraw/zinc/17/04/80/530170480.db2.gz	QYMIBWVVXBYINN-NSHDSACASA-N	-1	1	376.460	-0.273	20	30		GBEDMM
CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349486482	530334542	/nfs/dbraw/zinc/33/45/42/530334542.db2.gz	VSIDMUDMFSQMOJ-UHFFFAOYSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349488120	530170380	/nfs/dbraw/zinc/17/03/80/530170380.db2.gz	ZBNQJCYTHNRGFJ-UHFFFAOYSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349488382	530334327	/nfs/dbraw/zinc/33/43/27/530334327.db2.gz	ZLFINAUXLGFLEN-LLVKDONJSA-N	-1	1	376.460	-0.273	20	30		GBEDMM
C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349488383	530334481	/nfs/dbraw/zinc/33/44/81/530334481.db2.gz	ZLFINAUXLGFLEN-NSHDSACASA-N	-1	1	376.460	-0.273	20	30		GBEDMM
CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349493961	530169217	/nfs/dbraw/zinc/16/92/17/530169217.db2.gz	BRJLNFPFDORYEK-UHFFFAOYSA-N	-1	1	387.487	-0.339	20	30		GBEDMM
CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349495042	530335174	/nfs/dbraw/zinc/33/51/74/530335174.db2.gz	LMZGAHXOKXORLC-UHFFFAOYSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1	ZINC000349496900	530335539	/nfs/dbraw/zinc/33/55/39/530335539.db2.gz	HTWMEOKGQPVFFW-UHFFFAOYSA-N	-1	1	380.477	-0.556	20	30		GBEDMM
CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349498429	530335036	/nfs/dbraw/zinc/33/50/36/530335036.db2.gz	ORLZFILLCRXNHF-UHFFFAOYSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(CC#N)ccn2)C1	ZINC000349499704	530084234	/nfs/dbraw/zinc/08/42/34/530084234.db2.gz	GBANFNXEVUEHGN-UHFFFAOYSA-N	-1	1	388.471	-0.060	20	30		GBEDMM
COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C)c(C#N)cn2)C1	ZINC000349499755	530174441	/nfs/dbraw/zinc/17/44/41/530174441.db2.gz	KLMLRPKOPNHTJX-UHFFFAOYSA-N	-1	1	388.471	0.054	20	30		GBEDMM
CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349500815	530170592	/nfs/dbraw/zinc/17/05/92/530170592.db2.gz	MCENPZDFPAOOOC-UHFFFAOYSA-N	-1	1	390.487	0.118	20	30		GBEDMM
CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349502296	530175517	/nfs/dbraw/zinc/17/55/17/530175517.db2.gz	GMTGTOWYPHWCEU-ZDUSSCGKSA-N	-1	1	388.471	0.136	20	30		GBEDMM
COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)c(C)n2)C1	ZINC000349502763	530173898	/nfs/dbraw/zinc/17/38/98/530173898.db2.gz	OXUMHGFIMGZASR-UHFFFAOYSA-N	-1	1	388.471	0.054	20	30		GBEDMM
CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349502952	530170646	/nfs/dbraw/zinc/17/06/46/530170646.db2.gz	RQVYYKQMUWMEPP-UHFFFAOYSA-N	-1	1	388.471	-0.130	20	30		GBEDMM
CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1	ZINC000349504113	530335244	/nfs/dbraw/zinc/33/52/44/530335244.db2.gz	QHTJKDXQTZYVQG-UHFFFAOYSA-N	-1	1	387.487	-0.339	20	30		GBEDMM
Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1	ZINC000349504663	1073901581	/nfs/dbraw/zinc/90/15/81/1073901581.db2.gz	QRJFAMXFWZHMQR-UHFFFAOYSA-N	-1	1	398.470	-0.045	20	30		GBEDMM
N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nnc3ccccn32)C1	ZINC000349508164	530336600	/nfs/dbraw/zinc/33/66/00/530336600.db2.gz	WGCPTPFTVBNBCU-UHFFFAOYSA-N	-1	1	384.443	-0.354	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)ccc1C#N	ZINC000349508434	530177236	/nfs/dbraw/zinc/17/72/36/530177236.db2.gz	MSVRWIBUPFNPGT-UHFFFAOYSA-N	-1	1	388.471	-0.353	20	30		GBEDMM
CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1	ZINC000349509002	530336384	/nfs/dbraw/zinc/33/63/84/530336384.db2.gz	YBUIFACRLDFTDE-UHFFFAOYSA-N	-1	1	387.487	-0.339	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ncc1C#N	ZINC000349509104	530174906	/nfs/dbraw/zinc/17/49/06/530174906.db2.gz	YJBGVOIRDHYUHU-UHFFFAOYSA-N	-1	1	383.455	0.179	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)ccc1C#N	ZINC000349509177	530176999	/nfs/dbraw/zinc/17/69/99/530176999.db2.gz	NGGBDYSQFWUCPV-UHFFFAOYSA-N	-1	1	388.471	0.403	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ccc1C#N	ZINC000349509828	530177375	/nfs/dbraw/zinc/17/73/75/530177375.db2.gz	ZGODTTJHYQLEND-UHFFFAOYSA-N	-1	1	383.455	0.179	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)nc1	ZINC000349510386	530171343	/nfs/dbraw/zinc/17/13/43/530171343.db2.gz	QPHLTZQOMCQUGE-LBPRGKRZSA-N	-1	1	376.435	0.459	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)ncc1C#N	ZINC000349513416	530175204	/nfs/dbraw/zinc/17/52/04/530175204.db2.gz	UAQZKBXFUYTZGP-UHFFFAOYSA-N	-1	1	388.471	-0.353	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)c1	ZINC000349514899	530336409	/nfs/dbraw/zinc/33/64/09/530336409.db2.gz	GILRGFCBXUCKAJ-CYBMUJFWSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)c1	ZINC000349514900	530337251	/nfs/dbraw/zinc/33/72/51/530337251.db2.gz	GILRGFCBXUCKAJ-ZDUSSCGKSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)ncc1C#N	ZINC000349516630	530175875	/nfs/dbraw/zinc/17/58/75/530175875.db2.gz	KBWXBWJSNJYESO-ZDUSSCGKSA-N	-1	1	388.471	-0.210	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)ncc1C#N	ZINC000349517265	530174760	/nfs/dbraw/zinc/17/47/60/530174760.db2.gz	ZRCSRAAHQRFWTC-UHFFFAOYSA-N	-1	1	388.471	0.403	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)nc1	ZINC000349518289	530171052	/nfs/dbraw/zinc/17/10/52/530171052.db2.gz	NQNBIZKMDOPVBJ-CYBMUJFWSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)nc1	ZINC000349518291	530171083	/nfs/dbraw/zinc/17/10/83/530171083.db2.gz	NQNBIZKMDOPVBJ-ZDUSSCGKSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349518337	530174348	/nfs/dbraw/zinc/17/43/48/530174348.db2.gz	GVEQYMZNMIKLRW-UHFFFAOYSA-N	-1	1	388.471	0.136	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)ccc1C#N	ZINC000349518681	530177034	/nfs/dbraw/zinc/17/70/34/530177034.db2.gz	OFNMODAGTCUCTN-ZDUSSCGKSA-N	-1	1	388.471	-0.210	20	30		GBEDMM
C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C[C@@H]1O	ZINC000349519951	530171482	/nfs/dbraw/zinc/17/14/82/530171482.db2.gz	IUFICZPAFBLMKU-AAEUAGOBSA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C[C@H]1O	ZINC000349519952	530168691	/nfs/dbraw/zinc/16/86/91/530168691.db2.gz	IUFICZPAFBLMKU-DGCLKSJQSA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C[C@H]1O	ZINC000349519953	530171366	/nfs/dbraw/zinc/17/13/66/530171366.db2.gz	IUFICZPAFBLMKU-WCQYABFASA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C[C@@H]1O	ZINC000349519954	530169020	/nfs/dbraw/zinc/16/90/20/530169020.db2.gz	IUFICZPAFBLMKU-YPMHNXCESA-N	-1	1	388.471	-0.273	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)ncc1C#N	ZINC000349520612	530175688	/nfs/dbraw/zinc/17/56/88/530175688.db2.gz	KBWXBWJSNJYESO-CYBMUJFWSA-N	-1	1	388.471	-0.210	20	30		GBEDMM
C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349520978	530169607	/nfs/dbraw/zinc/16/96/07/530169607.db2.gz	SFNQQZJYKFLXAU-GFCCVEGCSA-N	-1	1	385.471	0.506	20	30		GBEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349520979	530179096	/nfs/dbraw/zinc/17/90/96/530179096.db2.gz	SFNQQZJYKFLXAU-LBPRGKRZSA-N	-1	1	385.471	0.506	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)n1	ZINC000349522596	530336964	/nfs/dbraw/zinc/33/69/64/530336964.db2.gz	WGAWTIQUQSSRNI-CYBMUJFWSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)n1	ZINC000349522597	530337436	/nfs/dbraw/zinc/33/74/36/530337436.db2.gz	WGAWTIQUQSSRNI-ZDUSSCGKSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C[C@@H]1O	ZINC000349523082	530337946	/nfs/dbraw/zinc/33/79/46/530337946.db2.gz	LGEUTSCMYGMAQA-AAEUAGOBSA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C[C@H]1O	ZINC000349523083	530337805	/nfs/dbraw/zinc/33/78/05/530337805.db2.gz	LGEUTSCMYGMAQA-DGCLKSJQSA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C[C@H]1O	ZINC000349523084	530337856	/nfs/dbraw/zinc/33/78/56/530337856.db2.gz	LGEUTSCMYGMAQA-WCQYABFASA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C[C@@H]1O	ZINC000349523085	530337937	/nfs/dbraw/zinc/33/79/37/530337937.db2.gz	LGEUTSCMYGMAQA-YPMHNXCESA-N	-1	1	388.471	-0.273	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)ccc1C#N	ZINC000349523475	530177353	/nfs/dbraw/zinc/17/73/53/530177353.db2.gz	OFNMODAGTCUCTN-CYBMUJFWSA-N	-1	1	388.471	-0.210	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)nc1	ZINC000349523820	530171430	/nfs/dbraw/zinc/17/14/30/530171430.db2.gz	MOAKTUFOEVVJQS-CYBMUJFWSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)nc1	ZINC000349523821	530171038	/nfs/dbraw/zinc/17/10/38/530171038.db2.gz	MOAKTUFOEVVJQS-ZDUSSCGKSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349524716	530176379	/nfs/dbraw/zinc/17/63/79/530176379.db2.gz	NYSSBKPVOCXHOX-UHFFFAOYSA-N	-1	1	388.471	0.136	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)nc1	ZINC000349525104	530171016	/nfs/dbraw/zinc/17/10/16/530171016.db2.gz	QPHLTZQOMCQUGE-GFCCVEGCSA-N	-1	1	376.435	0.459	20	30		GBEDMM
N#CCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)c1	ZINC000349525116	530087630	/nfs/dbraw/zinc/08/76/30/530087630.db2.gz	QSBYMXRRNUGUBX-CYBMUJFWSA-N	-1	1	388.471	-0.324	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)nc1	ZINC000349527404	530171145	/nfs/dbraw/zinc/17/11/45/530171145.db2.gz	VXZLLXHARDFJAA-UHFFFAOYSA-N	-1	1	388.471	0.137	20	30		GBEDMM
C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C[C@@H]1O	ZINC000349528050	530334145	/nfs/dbraw/zinc/33/41/45/530334145.db2.gz	SQRQCOOSNXQGCZ-AAEUAGOBSA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C[C@H]1O	ZINC000349528051	530334069	/nfs/dbraw/zinc/33/40/69/530334069.db2.gz	SQRQCOOSNXQGCZ-DGCLKSJQSA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C[C@H]1O	ZINC000349528052	530334203	/nfs/dbraw/zinc/33/42/03/530334203.db2.gz	SQRQCOOSNXQGCZ-WCQYABFASA-N	-1	1	388.471	-0.273	20	30		GBEDMM
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C[C@@H]1O	ZINC000349528053	530334036	/nfs/dbraw/zinc/33/40/36/530334036.db2.gz	SQRQCOOSNXQGCZ-YPMHNXCESA-N	-1	1	388.471	-0.273	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)n1	ZINC000349528577	530334345	/nfs/dbraw/zinc/33/43/45/530334345.db2.gz	ULJVMLHCFIZKCB-GFCCVEGCSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)n1	ZINC000349528578	530334557	/nfs/dbraw/zinc/33/45/57/530334557.db2.gz	ULJVMLHCFIZKCB-LBPRGKRZSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)CC1	ZINC000349529188	530088574	/nfs/dbraw/zinc/08/85/74/530088574.db2.gz	ZEVVFTSFHCJABJ-UHFFFAOYSA-N	-1	1	387.487	-0.316	20	30		GBEDMM
CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349529209	530170741	/nfs/dbraw/zinc/17/07/41/530170741.db2.gz	ZJWUQLFPXBTTKS-CYBMUJFWSA-N	-1	1	388.471	0.136	20	30		GBEDMM
CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349529210	530170263	/nfs/dbraw/zinc/17/02/63/530170263.db2.gz	ZJWUQLFPXBTTKS-ZDUSSCGKSA-N	-1	1	388.471	0.136	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)c1	ZINC000349530119	530335032	/nfs/dbraw/zinc/33/50/32/530335032.db2.gz	XJQHYSRSQAOGLZ-CYBMUJFWSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)c1	ZINC000349530120	530335105	/nfs/dbraw/zinc/33/51/05/530335105.db2.gz	XJQHYSRSQAOGLZ-ZDUSSCGKSA-N	-1	1	388.471	-0.271	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)ccc1C#N	ZINC000349533004	530177157	/nfs/dbraw/zinc/17/71/57/530177157.db2.gz	CQNCIJHZOFMIAM-UHFFFAOYSA-N	-1	1	376.460	-0.353	20	30		GBEDMM
CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349533159	530340272	/nfs/dbraw/zinc/34/02/72/530340272.db2.gz	PTJGDXACWLXIFU-UHFFFAOYSA-N	-1	1	389.459	-0.907	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)nc1	ZINC000349533167	530170984	/nfs/dbraw/zinc/17/09/84/530170984.db2.gz	PVDSKUHMBOQNAN-UHFFFAOYSA-N	-1	1	390.512	0.464	20	30		GBEDMM
N#CCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)c1	ZINC000349533543	530089374	/nfs/dbraw/zinc/08/93/74/530089374.db2.gz	QSBYMXRRNUGUBX-ZDUSSCGKSA-N	-1	1	388.471	-0.324	20	30		GBEDMM
CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)CC1	ZINC000349534491	530340395	/nfs/dbraw/zinc/34/03/95/530340395.db2.gz	GXTUAQCIDUXQHB-UHFFFAOYSA-N	-1	1	387.487	-0.338	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)n1	ZINC000349534695	530337988	/nfs/dbraw/zinc/33/79/88/530337988.db2.gz	IQVZUDOJRGLTLY-CHWSQXEVSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349534874	530340571	/nfs/dbraw/zinc/34/05/71/530340571.db2.gz	UMKIBVDHFDLMFI-UHFFFAOYSA-N	-1	1	389.459	-0.907	20	30		GBEDMM
CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)CC1	ZINC000349535738	530170612	/nfs/dbraw/zinc/17/06/12/530170612.db2.gz	KDTJXKDKVBBOAZ-UHFFFAOYSA-N	-1	1	387.487	-0.338	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)ccc1C#N	ZINC000349536369	530177245	/nfs/dbraw/zinc/17/72/45/530177245.db2.gz	LDOCPGXKFXNLEY-CHWSQXEVSA-N	-1	1	388.471	-0.164	20	30		GBEDMM
N#CCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1	ZINC000349538165	530090374	/nfs/dbraw/zinc/09/03/74/530090374.db2.gz	NZBZHFWHXDBGND-CHWSQXEVSA-N	-1	1	388.471	-0.278	20	30		GBEDMM
C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1	ZINC000349538651	530341106	/nfs/dbraw/zinc/34/11/06/530341106.db2.gz	GXONTINAYPQENW-XBXGTLAGSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1	ZINC000349539102	530340403	/nfs/dbraw/zinc/34/04/03/530340403.db2.gz	HYXZBMAQKJFTPF-XBXGTLAGSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)ncc1C#N	ZINC000349539119	530175773	/nfs/dbraw/zinc/17/57/73/530175773.db2.gz	PQUZZRMPAITNIP-CHWSQXEVSA-N	-1	1	388.471	-0.164	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)nc1	ZINC000349539334	530171099	/nfs/dbraw/zinc/17/10/99/530171099.db2.gz	WASDXBKIEIGAGQ-CHWSQXEVSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)c1	ZINC000349539367	530340441	/nfs/dbraw/zinc/34/04/41/530340441.db2.gz	WJDGBHYUPJCEKM-CHWSQXEVSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCO)ncc1C#N	ZINC000349540810	530175067	/nfs/dbraw/zinc/17/50/67/530175067.db2.gz	URZIOEAAWHFACL-UHFFFAOYSA-N	-1	1	376.460	-0.353	20	30		GBEDMM
CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)CC1	ZINC000349542272	530341038	/nfs/dbraw/zinc/34/10/38/530341038.db2.gz	XMSAXKPIMAHVBQ-UHFFFAOYSA-N	-1	1	387.487	-0.338	20	30		GBEDMM
C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349544070	530169197	/nfs/dbraw/zinc/16/91/97/530169197.db2.gz	PJXNEASCNYMLHZ-XBXGTLAGSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)ncc1C#N	ZINC000349550093	530175925	/nfs/dbraw/zinc/17/59/25/530175925.db2.gz	HSLRTWHLEIDVNE-CYBMUJFWSA-N	-1	1	388.471	0.102	20	30		GBEDMM
CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349550751	530341432	/nfs/dbraw/zinc/34/14/32/530341432.db2.gz	JDWUWIUGMSGUEF-SNVBAGLBSA-N	-1	1	389.459	-0.861	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)ccc1C#N	ZINC000349553578	530177009	/nfs/dbraw/zinc/17/70/09/530177009.db2.gz	PIWXVJFYFBLCAR-CYBMUJFWSA-N	-1	1	388.471	0.102	20	30		GBEDMM
N#CCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)c1	ZINC000349554606	530341710	/nfs/dbraw/zinc/34/17/10/530341710.db2.gz	RNPMFTBHPHZIJR-CYBMUJFWSA-N	-1	1	388.471	-0.012	20	30		GBEDMM
CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349555594	530169344	/nfs/dbraw/zinc/16/93/44/530169344.db2.gz	UURURBTZNXSSOU-UHFFFAOYSA-N	-1	1	385.471	0.554	20	30		GBEDMM
CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349556314	530341704	/nfs/dbraw/zinc/34/17/04/530341704.db2.gz	WHGRZEDDGVMVDM-SNVBAGLBSA-N	-1	1	389.459	-0.861	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)nc1	ZINC000349557791	530171331	/nfs/dbraw/zinc/17/13/31/530171331.db2.gz	ZSSQGJIZCLYBOP-GFCCVEGCSA-N	-1	1	390.512	0.510	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)nc1	ZINC000349557799	530171458	/nfs/dbraw/zinc/17/14/58/530171458.db2.gz	ZSSQGJIZCLYBOP-LBPRGKRZSA-N	-1	1	390.512	0.510	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)nc1	ZINC000349560460	530171001	/nfs/dbraw/zinc/17/10/01/530171001.db2.gz	BFROHOSOUMJNMY-UHFFFAOYSA-N	-1	1	388.471	-0.081	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)nc1	ZINC000349564000	530171374	/nfs/dbraw/zinc/17/13/74/530171374.db2.gz	JENCAWYFWKLBHJ-CYBMUJFWSA-N	-1	1	388.471	0.183	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)nc1	ZINC000349564004	530171470	/nfs/dbraw/zinc/17/14/70/530171470.db2.gz	JENCAWYFWKLBHJ-ZDUSSCGKSA-N	-1	1	388.471	0.183	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)ccc1C#N	ZINC000349564415	530177434	/nfs/dbraw/zinc/17/74/34/530177434.db2.gz	HKWYNTZAVDHTBW-SNVBAGLBSA-N	-1	1	376.460	-0.306	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)n1	ZINC000349564749	530341611	/nfs/dbraw/zinc/34/16/11/530341611.db2.gz	HWQCJOBULYYGBS-UHFFFAOYSA-N	-1	1	388.471	-0.081	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)ccc1C#N	ZINC000349564751	530177348	/nfs/dbraw/zinc/17/73/48/530177348.db2.gz	HWSCMJGVJDJWEW-JTQLQIEISA-N	-1	1	376.460	-0.306	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)ccc1C#N	ZINC000349564752	530177298	/nfs/dbraw/zinc/17/72/98/530177298.db2.gz	HWSCMJGVJDJWEW-SNVBAGLBSA-N	-1	1	376.460	-0.306	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)c1	ZINC000349568851	530339249	/nfs/dbraw/zinc/33/92/49/530339249.db2.gz	PHASXZBLTAJUEO-UHFFFAOYSA-N	-1	1	388.471	-0.081	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)ncc1C#N	ZINC000349569491	530175670	/nfs/dbraw/zinc/17/56/70/530175670.db2.gz	HSLRTWHLEIDVNE-ZDUSSCGKSA-N	-1	1	388.471	0.102	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)ncc1C#N	ZINC000349570954	530175937	/nfs/dbraw/zinc/17/59/37/530175937.db2.gz	SBFYXBUQCIICEI-LLVKDONJSA-N	-1	1	376.460	-0.306	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)ncc1C#N	ZINC000349570956	530175652	/nfs/dbraw/zinc/17/56/52/530175652.db2.gz	SBFYXBUQCIICEI-NSHDSACASA-N	-1	1	376.460	-0.306	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)ncc1C#N	ZINC000349571079	530175857	/nfs/dbraw/zinc/17/58/57/530175857.db2.gz	DYRGUXYXNQZEOE-LLVKDONJSA-N	-1	1	385.471	0.473	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)ncc1C#N	ZINC000349571080	530175495	/nfs/dbraw/zinc/17/54/95/530175495.db2.gz	DYRGUXYXNQZEOE-NSHDSACASA-N	-1	1	385.471	0.473	20	30		GBEDMM
CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000349571170	530170716	/nfs/dbraw/zinc/17/07/16/530170716.db2.gz	FVJORJZTJUBUBO-UHFFFAOYSA-N	-1	1	376.460	-0.225	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1	ZINC000349571321	530338954	/nfs/dbraw/zinc/33/89/54/530338954.db2.gz	JIMSHKVQRBRNSU-IMRBUKKESA-N	-1	1	386.455	-0.351	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)ccc1C#N	ZINC000349571753	530177458	/nfs/dbraw/zinc/17/74/58/530177458.db2.gz	GUIYKXFFODJTMH-LLVKDONJSA-N	-1	1	385.471	0.473	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)ccc1C#N	ZINC000349571754	530177479	/nfs/dbraw/zinc/17/74/79/530177479.db2.gz	GUIYKXFFODJTMH-NSHDSACASA-N	-1	1	385.471	0.473	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)nc1	ZINC000349572721	530171475	/nfs/dbraw/zinc/17/14/75/530171475.db2.gz	KTJSZDYZPSOSJE-UHFFFAOYSA-N	-1	1	383.455	0.308	20	30		GBEDMM
C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc2ccccn21	ZINC000349573906	530093925	/nfs/dbraw/zinc/09/39/25/530093925.db2.gz	KVLHPKNOKORXBF-LLVKDONJSA-N	-1	1	386.459	-0.060	20	30		GBEDMM
C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc2ccccn21	ZINC000349573907	530094001	/nfs/dbraw/zinc/09/40/01/530094001.db2.gz	KVLHPKNOKORXBF-NSHDSACASA-N	-1	1	386.459	-0.060	20	30		GBEDMM
CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000349575505	530339919	/nfs/dbraw/zinc/33/99/19/530339919.db2.gz	OWANCVYYKQSWFT-UHFFFAOYSA-N	-1	1	376.460	-0.225	20	30		GBEDMM
CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000349575512	530339846	/nfs/dbraw/zinc/33/98/46/530339846.db2.gz	OWWOMHSTSYDFEW-UHFFFAOYSA-N	-1	1	376.460	-0.225	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)ccc1C#N	ZINC000349576050	530177409	/nfs/dbraw/zinc/17/74/09/530177409.db2.gz	PIWXVJFYFBLCAR-ZDUSSCGKSA-N	-1	1	388.471	0.102	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)n1	ZINC000349577388	530339757	/nfs/dbraw/zinc/33/97/57/530339757.db2.gz	QTEUBCIGSPPALK-IMRBUKKESA-N	-1	1	386.455	-0.351	20	30		GBEDMM
N#CCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)c1	ZINC000349577880	530339852	/nfs/dbraw/zinc/33/98/52/530339852.db2.gz	RNPMFTBHPHZIJR-ZDUSSCGKSA-N	-1	1	388.471	-0.012	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)nc1	ZINC000349577985	530171107	/nfs/dbraw/zinc/17/11/07/530171107.db2.gz	RVIKRHFVPMROSD-IMRBUKKESA-N	-1	1	386.455	-0.351	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)ncc1C#N	ZINC000349579651	530175630	/nfs/dbraw/zinc/17/56/30/530175630.db2.gz	YVSFQOPZDNSKEI-UHFFFAOYSA-N	-1	1	390.487	0.084	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)ccc1C#N	ZINC000349580459	530177207	/nfs/dbraw/zinc/17/72/07/530177207.db2.gz	ZSDRRHSVXUDGSH-UHFFFAOYSA-N	-1	1	390.487	0.084	20	30		GBEDMM
C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)CO1	ZINC000349581653	530171386	/nfs/dbraw/zinc/17/13/86/530171386.db2.gz	WCLBQTMEMNZFEO-AAEUAGOBSA-N	-1	1	388.471	0.182	20	30		GBEDMM
C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)CO1	ZINC000349581654	530168503	/nfs/dbraw/zinc/16/85/03/530168503.db2.gz	WCLBQTMEMNZFEO-DGCLKSJQSA-N	-1	1	388.471	0.182	20	30		GBEDMM
C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)CO1	ZINC000349581655	530171008	/nfs/dbraw/zinc/17/10/08/530171008.db2.gz	WCLBQTMEMNZFEO-WCQYABFASA-N	-1	1	388.471	0.182	20	30		GBEDMM
C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)CO1	ZINC000349581656	530169785	/nfs/dbraw/zinc/16/97/85/530169785.db2.gz	WCLBQTMEMNZFEO-YPMHNXCESA-N	-1	1	388.471	0.182	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)n1	ZINC000349583818	530339504	/nfs/dbraw/zinc/33/95/04/530339504.db2.gz	KIMWSKCQZKHCEN-CHWSQXEVSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1	ZINC000349584499	530339580	/nfs/dbraw/zinc/33/95/80/530339580.db2.gz	KUBOOXLCSUTDCP-CHWSQXEVSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)c1	ZINC000349590156	530339721	/nfs/dbraw/zinc/33/97/21/530339721.db2.gz	LEQANGJVSBKMCJ-CYBMUJFWSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)c1	ZINC000349590157	530339664	/nfs/dbraw/zinc/33/96/64/530339664.db2.gz	LEQANGJVSBKMCJ-ZDUSSCGKSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)n1	ZINC000349593760	530339809	/nfs/dbraw/zinc/33/98/09/530339809.db2.gz	SXVPMOKWUZAOMG-CYBMUJFWSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)n1	ZINC000349593761	530339673	/nfs/dbraw/zinc/33/96/73/530339673.db2.gz	SXVPMOKWUZAOMG-ZDUSSCGKSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)nc1	ZINC000349593767	530171244	/nfs/dbraw/zinc/17/12/44/530171244.db2.gz	SZUVGPDETKGFLM-CYBMUJFWSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)nc1	ZINC000349593768	530171201	/nfs/dbraw/zinc/17/12/01/530171201.db2.gz	SZUVGPDETKGFLM-ZDUSSCGKSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)nc1	ZINC000349595989	530171493	/nfs/dbraw/zinc/17/14/93/530171493.db2.gz	XBJPIWPWIIBGIJ-CYBMUJFWSA-N	-1	1	388.471	0.183	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)nc1	ZINC000349595990	530171507	/nfs/dbraw/zinc/17/15/07/530171507.db2.gz	XBJPIWPWIIBGIJ-ZDUSSCGKSA-N	-1	1	388.471	0.183	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)nc1	ZINC000349596674	530171319	/nfs/dbraw/zinc/17/13/19/530171319.db2.gz	ZIDONNBCBGRWEN-CHWSQXEVSA-N	-1	1	388.471	-0.082	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)nc1	ZINC000349596779	530170993	/nfs/dbraw/zinc/17/09/93/530170993.db2.gz	ANKJAPMTMLPIIZ-CYBMUJFWSA-N	-1	1	388.471	0.183	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)nc1	ZINC000349596780	530170988	/nfs/dbraw/zinc/17/09/88/530170988.db2.gz	ANKJAPMTMLPIIZ-ZDUSSCGKSA-N	-1	1	388.471	0.183	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nc1	ZINC000349597093	530171210	/nfs/dbraw/zinc/17/12/10/530171210.db2.gz	CPGQIUWKPHKHAT-UHFFFAOYSA-N	-1	1	383.455	0.260	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)nc1	ZINC000349598674	530171063	/nfs/dbraw/zinc/17/10/63/530171063.db2.gz	FUPHCLRROFPENL-UHFFFAOYSA-N	-1	1	388.471	0.183	20	30		GBEDMM
CSc1n[nH]c([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1	ZINC000349598931	530341944	/nfs/dbraw/zinc/34/19/44/530341944.db2.gz	IKWMAJYVXLSOSK-UHFFFAOYSA-N	-1	1	394.504	-0.166	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)ccc1C#N	ZINC000349599901	530177057	/nfs/dbraw/zinc/17/70/57/530177057.db2.gz	HKWYNTZAVDHTBW-JTQLQIEISA-N	-1	1	376.460	-0.306	20	30		GBEDMM
COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349600386	530174314	/nfs/dbraw/zinc/17/43/14/530174314.db2.gz	LWFPUXLPPFZDKT-UHFFFAOYSA-N	-1	1	388.471	0.136	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)ncc1C#N	ZINC000349603310	530174955	/nfs/dbraw/zinc/17/49/55/530174955.db2.gz	RRSLWQLCRNFJDW-UHFFFAOYSA-N	-1	1	388.471	0.403	20	30		GBEDMM
N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1	ZINC000349605950	530097101	/nfs/dbraw/zinc/09/71/01/530097101.db2.gz	IODFHPPONJWNMZ-UHFFFAOYSA-N	-1	1	388.471	-0.106	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)ccc1C#N	ZINC000349606639	530177202	/nfs/dbraw/zinc/17/72/02/530177202.db2.gz	XQXHEWMVNKCWPB-UHFFFAOYSA-N	-1	1	388.471	0.403	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)ncc1C#N	ZINC000349607248	530175474	/nfs/dbraw/zinc/17/54/74/530175474.db2.gz	UMDAOEVDASJJCH-LLVKDONJSA-N	-1	1	376.460	-0.306	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)ncc1C#N	ZINC000349607250	530175675	/nfs/dbraw/zinc/17/56/75/530175675.db2.gz	UMDAOEVDASJJCH-NSHDSACASA-N	-1	1	376.460	-0.306	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)nc1	ZINC000349607264	530171073	/nfs/dbraw/zinc/17/10/73/530171073.db2.gz	UMQUTLDGXHMRFC-CYBMUJFWSA-N	-1	1	388.471	0.041	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)nc1	ZINC000349607265	530171088	/nfs/dbraw/zinc/17/10/88/530171088.db2.gz	UMQUTLDGXHMRFC-ZDUSSCGKSA-N	-1	1	388.471	0.041	20	30		GBEDMM
N#Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)nc1	ZINC000349607564	530171172	/nfs/dbraw/zinc/17/11/72/530171172.db2.gz	ZZHDRBXEFRQJPZ-UHFFFAOYSA-N	-1	1	388.471	0.485	20	30		GBEDMM
CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)COC1	ZINC000349610080	530173482	/nfs/dbraw/zinc/17/34/82/530173482.db2.gz	BZBHQTYDNGIQCY-UHFFFAOYSA-N	-1	1	388.471	0.041	20	30		GBEDMM
CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1	ZINC000349610813	530342385	/nfs/dbraw/zinc/34/23/85/530342385.db2.gz	KRPJWEVQBZZFRB-UHFFFAOYSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1	ZINC000349617689	530343089	/nfs/dbraw/zinc/34/30/89/530343089.db2.gz	MVTXLUPCWJVTTO-UHFFFAOYSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000349622531	530173374	/nfs/dbraw/zinc/17/33/74/530173374.db2.gz	RKWZJPSAZMZNLC-UHFFFAOYSA-N	-1	1	388.471	-0.128	20	30		GBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1	ZINC000377597556	1073201293	/nfs/dbraw/zinc/20/12/93/1073201293.db2.gz	BVZSXFYOLIOFLB-CYBMUJFWSA-N	-1	1	376.398	-0.675	20	30		GBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1	ZINC000377597558	1073201249	/nfs/dbraw/zinc/20/12/49/1073201249.db2.gz	BVZSXFYOLIOFLB-ZDUSSCGKSA-N	-1	1	376.398	-0.675	20	30		GBEDMM
CCO[C@@H]1C[C@]([N-]S(=O)(=O)N2CCO[C@H](C#N)C2)(C(=O)OC)C1(C)C	ZINC000410421033	530100067	/nfs/dbraw/zinc/10/00/67/530100067.db2.gz	TZBHROPILXXOIB-JMSVASOKSA-N	-1	1	375.447	-0.208	20	30		GBEDMM
CCO[C@@H]1C[C@@]([N-]S(=O)(=O)N2CCO[C@H](C#N)C2)(C(=O)OC)C1(C)C	ZINC000410421037	530100116	/nfs/dbraw/zinc/10/01/16/530100116.db2.gz	TZBHROPILXXOIB-LALPHHSUSA-N	-1	1	375.447	-0.208	20	30		GBEDMM
CCO[C@@H]1C[C@@]([N-]S(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)OC)C1(C)C	ZINC000410421039	530100110	/nfs/dbraw/zinc/10/01/10/530100110.db2.gz	TZBHROPILXXOIB-YWPYICTPSA-N	-1	1	375.447	-0.208	20	30		GBEDMM
CCO[C@@H]1C[C@]([N-]S(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)OC)C1(C)C	ZINC000410421042	530100058	/nfs/dbraw/zinc/10/00/58/530100058.db2.gz	TZBHROPILXXOIB-ZOWXZIJZSA-N	-1	1	375.447	-0.208	20	30		GBEDMM
COc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)ccc1C#N	ZINC000427152038	1073056646	/nfs/dbraw/zinc/05/66/46/1073056646.db2.gz	HFIGTFOBQFRFMB-UHFFFAOYSA-N	-1	1	392.393	-0.147	20	30		GBEDMM
N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[O-]	ZINC000442868418	1073274924	/nfs/dbraw/zinc/27/49/24/1073274924.db2.gz	NSPRREQBBAYEFU-UHFFFAOYSA-N	-1	1	380.426	-0.401	20	30		GBEDMM
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)CC1	ZINC000442874860	1073275197	/nfs/dbraw/zinc/27/51/97/1073275197.db2.gz	MTUHNERGFWHVGD-UHFFFAOYSA-N	-1	1	393.469	-0.486	20	30		GBEDMM
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451397479	530104459	/nfs/dbraw/zinc/10/44/59/530104459.db2.gz	HVKPGYXVUOPIQJ-SECBINFHSA-N	-1	1	380.195	-0.155	20	30		GBEDMM
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451397484	530104498	/nfs/dbraw/zinc/10/44/98/530104498.db2.gz	HVKPGYXVUOPIQJ-VIFPVBQESA-N	-1	1	380.195	-0.155	20	30		GBEDMM
CCN(CC)c1[nH]nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C#N	ZINC000463373305	1072271274	/nfs/dbraw/zinc/27/12/74/1072271274.db2.gz	CIERTELCCSOZSU-UHFFFAOYSA-N	-1	1	381.418	-0.674	20	30		GBEDMM
Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)c1C#N	ZINC000472298612	1072496157	/nfs/dbraw/zinc/49/61/57/1072496157.db2.gz	VDAGWGFABRUBDC-UHFFFAOYSA-N	-1	1	383.412	-0.221	20	30		GBEDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)Cc1noc(C)c1C#N	ZINC000477608460	530094763	/nfs/dbraw/zinc/09/47/63/530094763.db2.gz	JHDQPEUDJBADNQ-UHFFFAOYSA-N	-1	1	385.427	-0.038	20	30		GBEDMM
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1	ZINC000492226480	530440749	/nfs/dbraw/zinc/44/07/49/530440749.db2.gz	VRLSIOHWNDWDPE-UHFFFAOYSA-N	-1	1	385.427	-0.075	20	30		GBEDMM
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1	ZINC000492226480	530440748	/nfs/dbraw/zinc/44/07/48/530440748.db2.gz	VRLSIOHWNDWDPE-UHFFFAOYSA-N	-1	1	385.427	-0.075	20	30		GBEDMM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c(F)c1	ZINC000511382489	530113677	/nfs/dbraw/zinc/11/36/77/530113677.db2.gz	LPALWALQDXBTQQ-UHFFFAOYSA-N	-1	1	388.406	-0.361	20	30		GBEDMM
CN(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000512577987	1073843862	/nfs/dbraw/zinc/84/38/62/1073843862.db2.gz	OJKVUZGXCYZUMY-UHFFFAOYSA-N	-1	1	398.426	-0.661	20	30		GBEDMM
CN(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000512577987	1073843853	/nfs/dbraw/zinc/84/38/53/1073843853.db2.gz	OJKVUZGXCYZUMY-UHFFFAOYSA-N	-1	1	398.426	-0.661	20	30		GBEDMM
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(F)c2)o1	ZINC000513916550	1072620251	/nfs/dbraw/zinc/62/02/51/1072620251.db2.gz	JGRQNGPPAUCWII-UHFFFAOYSA-N	-1	1	379.369	-0.036	20	30		GBEDMM
CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000515339192	1072720599	/nfs/dbraw/zinc/72/05/99/1072720599.db2.gz	AXAIVRDBGLWTAE-UHFFFAOYSA-N	-1	1	399.498	-0.242	20	30		GBEDMM
N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3cnc[nH]3)cc2)C1	ZINC000519181425	1072985024	/nfs/dbraw/zinc/98/50/24/1072985024.db2.gz	BWCNZSCJEKYEPY-UHFFFAOYSA-N	-1	1	397.438	-0.140	20	30		GBEDMM
C[C@@H]1CN(CCCNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C[C@H](C)O1	ZINC000527653534	1073692652	/nfs/dbraw/zinc/69/26/52/1073692652.db2.gz	LZVVTYYZRBZCMB-BETUJISGSA-N	-1	1	390.444	-0.114	20	30		GBEDMM
C[C@@H]1CN(CCCNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C[C@@H](C)O1	ZINC000527653536	1073692356	/nfs/dbraw/zinc/69/23/56/1073692356.db2.gz	LZVVTYYZRBZCMB-CHWSQXEVSA-N	-1	1	390.444	-0.114	20	30		GBEDMM
C[C@H]1CN(CCCNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C[C@H](C)O1	ZINC000527653538	1073692581	/nfs/dbraw/zinc/69/25/81/1073692581.db2.gz	LZVVTYYZRBZCMB-STQMWFEESA-N	-1	1	390.444	-0.114	20	30		GBEDMM
COC(=O)CN(CC#N)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000542711890	530478051	/nfs/dbraw/zinc/47/80/51/530478051.db2.gz	GQXXGWCAUNPEBA-UHFFFAOYSA-N	-1	1	379.391	-0.116	20	30		GBEDMM
N#Cc1c[n-]c(=O)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O	ZINC000563125793	1073594245	/nfs/dbraw/zinc/59/42/45/1073594245.db2.gz	BFSNGTRJLIZEGK-UHFFFAOYSA-N	-1	1	375.429	-0.440	20	30		GBEDMM
N#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)CC1	ZINC000568415192	530503110	/nfs/dbraw/zinc/50/31/10/530503110.db2.gz	KPAROGLUUNWARU-UHFFFAOYSA-N	-1	1	390.491	-0.597	20	30		GBEDMM
N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)(F)CO)CC1	ZINC000570739447	530123892	/nfs/dbraw/zinc/12/38/92/530123892.db2.gz	PDLZVTSKVGFTNF-UHFFFAOYSA-N	-1	1	395.409	-0.073	20	30		GBEDMM
N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1	ZINC000575331026	530509453	/nfs/dbraw/zinc/50/94/53/530509453.db2.gz	JCDJVSCRWRZAHL-UHFFFAOYSA-N	-1	1	376.464	-0.988	20	30		GBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)OC	ZINC000580685591	530512536	/nfs/dbraw/zinc/51/25/36/530512536.db2.gz	DVOZFWGGDDUHKU-CHWSQXEVSA-N	-1	1	378.447	-0.160	20	30		GBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)OC	ZINC000580685592	530512429	/nfs/dbraw/zinc/51/24/29/530512429.db2.gz	DVOZFWGGDDUHKU-OLZOCXBDSA-N	-1	1	378.447	-0.160	20	30		GBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OC	ZINC000580685593	530512140	/nfs/dbraw/zinc/51/21/40/530512140.db2.gz	DVOZFWGGDDUHKU-QWHCGFSZSA-N	-1	1	378.447	-0.160	20	30		GBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OC	ZINC000580685594	530512494	/nfs/dbraw/zinc/51/24/94/530512494.db2.gz	DVOZFWGGDDUHKU-STQMWFEESA-N	-1	1	378.447	-0.160	20	30		GBEDMM
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1	ZINC000583784300	1072504166	/nfs/dbraw/zinc/50/41/66/1072504166.db2.gz	XJSRRKMCHYGUMJ-GFCCVEGCSA-N	-1	1	375.414	-0.244	20	30		GBEDMM
N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1	ZINC000583784301	1072503753	/nfs/dbraw/zinc/50/37/53/1072503753.db2.gz	XJSRRKMCHYGUMJ-LBPRGKRZSA-N	-1	1	375.414	-0.244	20	30		GBEDMM
CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000594636308	530173247	/nfs/dbraw/zinc/17/32/47/530173247.db2.gz	RGGSZXODUKWLDQ-UHFFFAOYSA-N	-1	1	376.435	0.459	20	30		GBEDMM
C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1)C(C)(C)O	ZINC000594637514	530178587	/nfs/dbraw/zinc/17/85/87/530178587.db2.gz	DDGNQAZMBUQOPQ-LLVKDONJSA-N	-1	1	390.487	0.164	20	30		GBEDMM
C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C#N)cn1)C(C)(C)O	ZINC000594637515	530170369	/nfs/dbraw/zinc/17/03/69/530170369.db2.gz	DDGNQAZMBUQOPQ-NSHDSACASA-N	-1	1	390.487	0.164	20	30		GBEDMM
N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C#N)cn2)C1	ZINC000595963624	530170517	/nfs/dbraw/zinc/17/05/17/530170517.db2.gz	AVGFLBDXXRZJRW-UHFFFAOYSA-N	-1	1	383.455	0.260	20	30		GBEDMM
CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n1	ZINC000595964428	530174689	/nfs/dbraw/zinc/17/46/89/530174689.db2.gz	IXSLIFKMEILPDB-UHFFFAOYSA-N	-1	1	394.504	-0.166	20	30		GBEDMM
CN(C)c1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n1	ZINC000595965963	530174547	/nfs/dbraw/zinc/17/45/47/530174547.db2.gz	VRZWHNGKUMPKFN-UHFFFAOYSA-N	-1	1	391.479	-0.822	20	30		GBEDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)n1	ZINC000600765965	530114154	/nfs/dbraw/zinc/11/41/54/530114154.db2.gz	GMWQCMNNSAZLEF-BJHJDKERSA-N	-1	1	388.471	-0.225	20	30		GBEDMM
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2COC2)ncc1C#N	ZINC000600766959	530175510	/nfs/dbraw/zinc/17/55/10/530175510.db2.gz	OKOTWPPCFJJVBE-UHFFFAOYSA-N	-1	1	388.471	-0.041	20	30		GBEDMM
Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2COC2)ccc1C#N	ZINC000600767516	530177161	/nfs/dbraw/zinc/17/71/61/530177161.db2.gz	RBTIMRMGHOBWOB-UHFFFAOYSA-N	-1	1	388.471	-0.041	20	30		GBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1	ZINC000610425174	1072444629	/nfs/dbraw/zinc/44/46/29/1072444629.db2.gz	HTDAEQSDQFXZGM-GFCCVEGCSA-N	-1	1	397.457	-0.651	20	30		GBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1	ZINC000610425175	1072445035	/nfs/dbraw/zinc/44/50/35/1072445035.db2.gz	HTDAEQSDQFXZGM-LBPRGKRZSA-N	-1	1	397.457	-0.651	20	30		GBEDMM
N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c(F)c1	ZINC000610426292	1072444984	/nfs/dbraw/zinc/44/49/84/1072444984.db2.gz	PNVIOLRSABKFGG-UHFFFAOYSA-N	-1	1	380.357	-0.016	20	30		GBEDMM
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)CC1	ZINC000614295300	1073888316	/nfs/dbraw/zinc/88/83/16/1073888316.db2.gz	KSRJZTDLERFQDG-UHFFFAOYSA-N	-1	1	393.469	-0.486	20	30		GBEDMM
C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000728530691	1072411135	/nfs/dbraw/zinc/41/11/35/1072411135.db2.gz	NLEJCCQNLSPUJZ-UHFFFAOYSA-N	-1	1	398.467	-0.122	20	30		GBEDMM
C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000729533285	1073276032	/nfs/dbraw/zinc/27/60/32/1073276032.db2.gz	CMIMCOVTURKNGM-UHFFFAOYSA-N	-1	1	384.440	-0.512	20	30		GBEDMM
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735374994	598266193	/nfs/dbraw/zinc/26/61/93/598266193.db2.gz	QXHVGUHUOCJVKR-JTQLQIEISA-N	-1	1	382.427	-0.927	20	30		GBEDMM
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735374994	598266191	/nfs/dbraw/zinc/26/61/91/598266191.db2.gz	QXHVGUHUOCJVKR-JTQLQIEISA-N	-1	1	382.427	-0.927	20	30		GBEDMM
C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735374995	598266429	/nfs/dbraw/zinc/26/64/29/598266429.db2.gz	QXHVGUHUOCJVKR-SNVBAGLBSA-N	-1	1	382.427	-0.927	20	30		GBEDMM
C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735374995	598266427	/nfs/dbraw/zinc/26/64/27/598266427.db2.gz	QXHVGUHUOCJVKR-SNVBAGLBSA-N	-1	1	382.427	-0.927	20	30		GBEDMM
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735375209	598691025	/nfs/dbraw/zinc/69/10/25/598691025.db2.gz	VSTRIXNJVXUMOJ-JTQLQIEISA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735375211	598690603	/nfs/dbraw/zinc/69/06/03/598690603.db2.gz	VSTRIXNJVXUMOJ-SNVBAGLBSA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1	ZINC000735380151	598269391	/nfs/dbraw/zinc/26/93/91/598269391.db2.gz	CWZLYULVJWNESU-UHFFFAOYSA-N	-1	1	375.414	-0.588	20	30		GBEDMM
C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1	ZINC000735380151	598269390	/nfs/dbraw/zinc/26/93/90/598269390.db2.gz	CWZLYULVJWNESU-UHFFFAOYSA-N	-1	1	375.414	-0.588	20	30		GBEDMM
C#CCNC(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1	ZINC000735381080	598964088	/nfs/dbraw/zinc/96/40/88/598964088.db2.gz	LOYKIACHRVTBRR-UHFFFAOYSA-N	-1	1	377.412	-0.319	20	30		GBEDMM
C#CCNC(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1	ZINC000735381080	598964087	/nfs/dbraw/zinc/96/40/87/598964087.db2.gz	LOYKIACHRVTBRR-UHFFFAOYSA-N	-1	1	377.412	-0.319	20	30		GBEDMM
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735415890	598266088	/nfs/dbraw/zinc/26/60/88/598266088.db2.gz	ALBASIYTSAJJGO-JTQLQIEISA-N	-1	1	384.443	-0.375	20	30		GBEDMM
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735415890	598266087	/nfs/dbraw/zinc/26/60/87/598266087.db2.gz	ALBASIYTSAJJGO-JTQLQIEISA-N	-1	1	384.443	-0.375	20	30		GBEDMM
C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735415891	598266346	/nfs/dbraw/zinc/26/63/46/598266346.db2.gz	ALBASIYTSAJJGO-SNVBAGLBSA-N	-1	1	384.443	-0.375	20	30		GBEDMM
C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735415891	598266344	/nfs/dbraw/zinc/26/63/44/598266344.db2.gz	ALBASIYTSAJJGO-SNVBAGLBSA-N	-1	1	384.443	-0.375	20	30		GBEDMM
C=CCOCC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1	ZINC000735437039	598288318	/nfs/dbraw/zinc/28/83/18/598288318.db2.gz	CZOKHULBIPKAQC-UHFFFAOYSA-N	-1	1	391.388	-0.442	20	30		GBEDMM
C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1C(=O)NC2(CCCC2)C1=O	ZINC000735569076	598357185	/nfs/dbraw/zinc/35/71/85/598357185.db2.gz	DGWPZPKLRWCWSO-SSDOTTSWSA-N	-1	1	384.360	-0.347	20	30		GBEDMM
C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1C(=O)NC2(CCCC2)C1=O	ZINC000735569080	598357394	/nfs/dbraw/zinc/35/73/94/598357394.db2.gz	DGWPZPKLRWCWSO-ZETCQYMHSA-N	-1	1	384.360	-0.347	20	30		GBEDMM
CC(C)(C)OC(=O)NCCOCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000735636307	598748728	/nfs/dbraw/zinc/74/87/28/598748728.db2.gz	STJGXCPWCQYURB-UHFFFAOYSA-N	-1	1	377.365	-0.059	20	30		GBEDMM
CC1CCC(NS(=O)(=O)CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1	ZINC000736243627	598555117	/nfs/dbraw/zinc/55/51/17/598555117.db2.gz	XIAVNNDAQNATJG-UHFFFAOYSA-N	-1	1	393.433	-0.102	20	30		GBEDMM
CC(C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)[O-]	ZINC000736339419	599924659	/nfs/dbraw/zinc/92/46/59/599924659.db2.gz	PKHVUJVVHNOXGR-UHFFFAOYSA-N	-1	1	394.453	-0.156	20	30		GBEDMM
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572507	598840579	/nfs/dbraw/zinc/84/05/79/598840579.db2.gz	UZBUOTHJWKBCFO-GHMZBOCLSA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572507	598840578	/nfs/dbraw/zinc/84/05/78/598840578.db2.gz	UZBUOTHJWKBCFO-GHMZBOCLSA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572511	598840670	/nfs/dbraw/zinc/84/06/70/598840670.db2.gz	UZBUOTHJWKBCFO-MNOVXSKESA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572511	598840669	/nfs/dbraw/zinc/84/06/69/598840669.db2.gz	UZBUOTHJWKBCFO-MNOVXSKESA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572514	598840685	/nfs/dbraw/zinc/84/06/85/598840685.db2.gz	UZBUOTHJWKBCFO-QWRGUYRKSA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572514	598840684	/nfs/dbraw/zinc/84/06/84/598840684.db2.gz	UZBUOTHJWKBCFO-QWRGUYRKSA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572517	598840498	/nfs/dbraw/zinc/84/04/98/598840498.db2.gz	UZBUOTHJWKBCFO-WDEREUQCSA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1=O	ZINC000736572517	598840496	/nfs/dbraw/zinc/84/04/96/598840496.db2.gz	UZBUOTHJWKBCFO-WDEREUQCSA-N	-1	1	398.431	-0.267	20	30		GBEDMM
CCOC(=O)c1cnn(C)c1NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N	ZINC000736605125	598821489	/nfs/dbraw/zinc/82/14/89/598821489.db2.gz	DFASXBJPOVSRMR-UHFFFAOYSA-N	-1	1	385.348	-0.934	20	30		GBEDMM
COC(=O)CN(CC#N)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C	ZINC000736919914	599569806	/nfs/dbraw/zinc/56/98/06/599569806.db2.gz	ZFZNSJWRMODUII-UHFFFAOYSA-N	-1	1	397.399	-0.016	20	30		GBEDMM
COC(=O)CN(CC#N)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C	ZINC000736919914	599569805	/nfs/dbraw/zinc/56/98/05/599569805.db2.gz	ZFZNSJWRMODUII-UHFFFAOYSA-N	-1	1	397.399	-0.016	20	30		GBEDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)o1	ZINC000737467781	598863131	/nfs/dbraw/zinc/86/31/31/598863131.db2.gz	STWGJKTYFDPUPW-UHFFFAOYSA-N	-1	1	398.431	-0.059	20	30		GBEDMM
Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC(=O)NCC#N	ZINC000737486301	598542023	/nfs/dbraw/zinc/54/20/23/598542023.db2.gz	CXOLCMJLIZHRCK-UHFFFAOYSA-N	-1	1	383.372	-0.358	20	30		GBEDMM
Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC(=O)NCC#N	ZINC000737486301	598542022	/nfs/dbraw/zinc/54/20/22/598542022.db2.gz	CXOLCMJLIZHRCK-UHFFFAOYSA-N	-1	1	383.372	-0.358	20	30		GBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN(c3ccccc3C#N)CC2)n(C)c1=O	ZINC000737594788	598244484	/nfs/dbraw/zinc/24/44/84/598244484.db2.gz	AJNVBUYPMXBLDY-UHFFFAOYSA-N	-1	1	393.411	-0.538	20	30		GBEDMM
N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737685260	598834957	/nfs/dbraw/zinc/83/49/57/598834957.db2.gz	BIFYOVVTSGOFFY-UHFFFAOYSA-N	-1	1	392.445	-0.502	20	30		GBEDMM
N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737685260	598834954	/nfs/dbraw/zinc/83/49/54/598834954.db2.gz	BIFYOVVTSGOFFY-UHFFFAOYSA-N	-1	1	392.445	-0.502	20	30		GBEDMM
N#CCNC(=O)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000737695686	598537978	/nfs/dbraw/zinc/53/79/78/598537978.db2.gz	LUOKOMHNAQRYFA-UHFFFAOYSA-N	-1	1	383.372	-0.124	20	30		GBEDMM
N#Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1F	ZINC000737704939	598636085	/nfs/dbraw/zinc/63/60/85/598636085.db2.gz	LROZVFFFCSUPIF-UHFFFAOYSA-N	-1	1	398.362	-0.130	20	30		GBEDMM
N#Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1F	ZINC000737704939	598636083	/nfs/dbraw/zinc/63/60/83/598636083.db2.gz	LROZVFFFCSUPIF-UHFFFAOYSA-N	-1	1	398.362	-0.130	20	30		GBEDMM
N#Cc1[n-]c(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)nc1-c1nn[nH]n1	ZINC000737705188	598718659	/nfs/dbraw/zinc/71/86/59/598718659.db2.gz	LMAYGCXNMQMIKJ-UHFFFAOYSA-N	-1	1	389.339	-0.002	20	30		GBEDMM
COCCN(CCC(=O)[O-])CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000737793610	600640356	/nfs/dbraw/zinc/64/03/56/600640356.db2.gz	AEYKRRIRCWJPCW-UHFFFAOYSA-N	-1	1	379.417	-0.074	20	30		GBEDMM
N#Cc1ccc([C@H](N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C(=O)[O-])cc1	ZINC000739104546	600572737	/nfs/dbraw/zinc/57/27/37/600572737.db2.gz	BRHFDUIIGXVIPR-JYJNAYRXSA-N	-1	1	379.438	-0.229	20	30		GBEDMM
N#Cc1ccc([C@H](N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C(=O)[O-])cc1	ZINC000739104550	600572565	/nfs/dbraw/zinc/57/25/65/600572565.db2.gz	BRHFDUIIGXVIPR-OAGGEKHMSA-N	-1	1	379.438	-0.229	20	30		GBEDMM
N#Cc1ccc([C@H](N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C(=O)[O-])cc1	ZINC000739104554	600572541	/nfs/dbraw/zinc/57/25/41/600572541.db2.gz	BRHFDUIIGXVIPR-PMPSAXMXSA-N	-1	1	379.438	-0.229	20	30		GBEDMM
N#Cc1ccc([C@H](N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C(=O)[O-])cc1	ZINC000739104557	600572421	/nfs/dbraw/zinc/57/24/21/600572421.db2.gz	BRHFDUIIGXVIPR-XHSDSOJGSA-N	-1	1	379.438	-0.229	20	30		GBEDMM
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1	ZINC000747340509	637649430	/nfs/dbraw/zinc/64/94/30/637649430.db2.gz	AGZFBHUADPAJFD-UHFFFAOYSA-N	-1	1	383.411	-0.628	20	30		GBEDMM
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1	ZINC000747340509	637649427	/nfs/dbraw/zinc/64/94/27/637649427.db2.gz	AGZFBHUADPAJFD-UHFFFAOYSA-N	-1	1	383.411	-0.628	20	30		GBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1	ZINC000747341915	637649542	/nfs/dbraw/zinc/64/95/42/637649542.db2.gz	IRZQWFKVXKUUMO-UHFFFAOYSA-N	-1	1	383.411	-0.628	20	30		GBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1	ZINC000747341915	637649536	/nfs/dbraw/zinc/64/95/36/637649536.db2.gz	IRZQWFKVXKUUMO-UHFFFAOYSA-N	-1	1	383.411	-0.628	20	30		GBEDMM
Cn1cc(S(=O)(=O)[N-]N=Cc2cc(Cl)cc(F)c2O)c(=O)n(C)c1=O	ZINC000768367453	637763104	/nfs/dbraw/zinc/76/31/04/637763104.db2.gz	RIHWBUDNGCXUFW-UHFFFAOYSA-N	-1	1	390.780	-0.106	20	30		GBEDMM
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C(=O)[O-])cc1	ZINC000771892157	604984378	/nfs/dbraw/zinc/98/43/78/604984378.db2.gz	YMEZYSDHFRZDRY-UHFFFAOYSA-N	-1	1	380.382	-0.515	20	30		GBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)OC	ZINC000795404679	637892692	/nfs/dbraw/zinc/89/26/92/637892692.db2.gz	FACFZLQSOQMLFF-GFCCVEGCSA-N	-1	1	379.435	-0.661	20	30		GBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)OC	ZINC000795404681	637892620	/nfs/dbraw/zinc/89/26/20/637892620.db2.gz	FACFZLQSOQMLFF-LBPRGKRZSA-N	-1	1	379.435	-0.661	20	30		GBEDMM
COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NCC#N)c(Br)o1	ZINC000796219193	637896690	/nfs/dbraw/zinc/89/66/90/637896690.db2.gz	XPCNYLPWBZQLIV-UHFFFAOYSA-N	-1	1	380.176	-0.253	20	30		GBEDMM
N#C[C@@H]1CN(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCO1	ZINC000800139485	638315035	/nfs/dbraw/zinc/31/50/35/638315035.db2.gz	LQNLCUFXUFMCFF-LLVKDONJSA-N	-1	1	384.380	-0.154	20	30		GBEDMM
N#C[C@H]1CN(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCO1	ZINC000800139486	638315132	/nfs/dbraw/zinc/31/51/32/638315132.db2.gz	LQNLCUFXUFMCFF-NSHDSACASA-N	-1	1	384.380	-0.154	20	30		GBEDMM
N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCO1	ZINC000810090653	637945999	/nfs/dbraw/zinc/94/59/99/637945999.db2.gz	URLIHANSSQFJAH-GHMZBOCLSA-N	-1	1	384.380	-0.154	20	30		GBEDMM
N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCO1	ZINC000810090654	637945897	/nfs/dbraw/zinc/94/58/97/637945897.db2.gz	URLIHANSSQFJAH-MNOVXSKESA-N	-1	1	384.380	-0.154	20	30		GBEDMM
N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCO1	ZINC000810090655	637946092	/nfs/dbraw/zinc/94/60/92/637946092.db2.gz	URLIHANSSQFJAH-QWRGUYRKSA-N	-1	1	384.380	-0.154	20	30		GBEDMM
N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCO1	ZINC000810090656	637946151	/nfs/dbraw/zinc/94/61/51/637946151.db2.gz	URLIHANSSQFJAH-WDEREUQCSA-N	-1	1	384.380	-0.154	20	30		GBEDMM
CN(C)S(=O)(=O)n1ccnc1C=NN=C1[N-]S(=O)(=O)c2ccccc21	ZINC000814798628	637966093	/nfs/dbraw/zinc/96/60/93/637966093.db2.gz	JUYSHBOXNHJFCQ-UHFFFAOYSA-N	-1	1	382.427	-0.390	20	30		GBEDMM
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C(=O)[O-])cs1	ZINC000814883350	637966113	/nfs/dbraw/zinc/96/61/13/637966113.db2.gz	KKOPIYPHYZDAPJ-UHFFFAOYSA-N	-1	1	386.411	-0.454	20	30		GBEDMM
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1csc(C(=O)[O-])c1	ZINC000814883757	637966458	/nfs/dbraw/zinc/96/64/58/637966458.db2.gz	ZMSBDSOFXRDMCQ-UHFFFAOYSA-N	-1	1	386.411	-0.454	20	30		GBEDMM
C#CCN(CC#CC)CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1	ZINC000819698169	599640897	/nfs/dbraw/zinc/64/08/97/599640897.db2.gz	TVPGXGZWSNICGA-UHFFFAOYSA-N	-1	1	382.428	-0.230	20	30		GBEDMM
C#CCN1CCN(C(=O)Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)CC1	ZINC000819701291	606331969	/nfs/dbraw/zinc/33/19/69/606331969.db2.gz	BOSOVLWDXOSNKK-UHFFFAOYSA-N	-1	1	384.444	-0.674	20	30		GBEDMM
C#CCNC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1	ZINC000819701444	606442385	/nfs/dbraw/zinc/44/23/85/606442385.db2.gz	HOYVUNQHDLVPMZ-UHFFFAOYSA-N	-1	1	380.416	-0.001	20	30		GBEDMM
C#CCNC(=O)CN1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000819701857	606709347	/nfs/dbraw/zinc/70/93/47/606709347.db2.gz	OLNWUGXXXNHHCC-UHFFFAOYSA-N	-1	1	385.388	-0.569	20	30		GBEDMM
C#CCN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CC1	ZINC000819701907	606019121	/nfs/dbraw/zinc/01/91/21/606019121.db2.gz	PQKVIPYJEWKRRC-UHFFFAOYSA-N	-1	1	377.408	-0.041	20	30		GBEDMM
C#Cc1cccc(NC(=O)CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1	ZINC000819710258	607328301	/nfs/dbraw/zinc/32/83/01/607328301.db2.gz	ZUPBBWAJWOEJHZ-UHFFFAOYSA-N	-1	1	394.395	-0.680	20	30		GBEDMM
C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1CC	ZINC000819750600	599489463	/nfs/dbraw/zinc/48/94/63/599489463.db2.gz	GXDFZJUALJRVMS-UHFFFAOYSA-N	-1	1	397.420	-0.492	20	30		GBEDMM
C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1CC	ZINC000819750600	599489462	/nfs/dbraw/zinc/48/94/62/599489462.db2.gz	GXDFZJUALJRVMS-UHFFFAOYSA-N	-1	1	397.420	-0.492	20	30		GBEDMM
C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)s2)c(=O)n1C	ZINC000819750677	606371293	/nfs/dbraw/zinc/37/12/93/606371293.db2.gz	JNVUIFPHCWNWLD-UHFFFAOYSA-N	-1	1	399.461	-0.506	20	30		GBEDMM
C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C	ZINC000819751074	599489048	/nfs/dbraw/zinc/48/90/48/599489048.db2.gz	OMELDDSHOHYGRL-UHFFFAOYSA-N	-1	1	383.393	-0.975	20	30		GBEDMM
C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C	ZINC000819751074	599489045	/nfs/dbraw/zinc/48/90/45/599489045.db2.gz	OMELDDSHOHYGRL-UHFFFAOYSA-N	-1	1	383.393	-0.975	20	30		GBEDMM
C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000819751324	606776999	/nfs/dbraw/zinc/77/69/99/606776999.db2.gz	TWAMTFJLBHADHY-LLVKDONJSA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000819751324	606776998	/nfs/dbraw/zinc/77/69/98/606776998.db2.gz	TWAMTFJLBHADHY-LLVKDONJSA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000819751339	606776692	/nfs/dbraw/zinc/77/66/92/606776692.db2.gz	TWAMTFJLBHADHY-NSHDSACASA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000819751339	606776690	/nfs/dbraw/zinc/77/66/90/606776690.db2.gz	TWAMTFJLBHADHY-NSHDSACASA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)s2)sc1=C(C#N)C(=O)NC	ZINC000819759051	606370302	/nfs/dbraw/zinc/37/03/02/606370302.db2.gz	MPCGUGNMKGCQNK-UHFFFAOYSA-N	-1	1	399.461	-0.414	20	30		GBEDMM
C=CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)NC	ZINC000819759544	599488795	/nfs/dbraw/zinc/48/87/95/599488795.db2.gz	ZOJNIRZEUULAAM-UHFFFAOYSA-N	-1	1	383.393	-0.882	20	30		GBEDMM
C=CCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)NC	ZINC000819759544	599488794	/nfs/dbraw/zinc/48/87/94/599488794.db2.gz	ZOJNIRZEUULAAM-UHFFFAOYSA-N	-1	1	383.393	-0.882	20	30		GBEDMM
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](C#N)C1	ZINC000819933352	607221288	/nfs/dbraw/zinc/22/12/88/607221288.db2.gz	OKKTZMJNZSLMSI-JTQLQIEISA-N	-1	1	388.392	-0.570	20	30		GBEDMM
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H](C#N)C1	ZINC000819933353	607221092	/nfs/dbraw/zinc/22/10/92/607221092.db2.gz	OKKTZMJNZSLMSI-SNVBAGLBSA-N	-1	1	388.392	-0.570	20	30		GBEDMM
CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C	ZINC000820091964	599489926	/nfs/dbraw/zinc/48/99/26/599489926.db2.gz	CMRFIDYPUAERDO-UHFFFAOYSA-N	-1	1	399.436	-0.505	20	30		GBEDMM
CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C	ZINC000820091964	599489923	/nfs/dbraw/zinc/48/99/23/599489923.db2.gz	CMRFIDYPUAERDO-UHFFFAOYSA-N	-1	1	399.436	-0.505	20	30		GBEDMM
CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C	ZINC000820134059	599490079	/nfs/dbraw/zinc/49/00/79/599490079.db2.gz	WKTWQDLYEHKHMF-UHFFFAOYSA-N	-1	1	385.409	-0.752	20	30		GBEDMM
CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C	ZINC000820134059	599490075	/nfs/dbraw/zinc/49/00/75/599490075.db2.gz	WKTWQDLYEHKHMF-UHFFFAOYSA-N	-1	1	385.409	-0.752	20	30		GBEDMM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000820444841	945451583	/nfs/dbraw/zinc/45/15/83/945451583.db2.gz	MGHNUODMDSQMHR-MRVPVSSYSA-N	-1	1	387.385	-0.476	20	30		GBEDMM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000820444842	945451123	/nfs/dbraw/zinc/45/11/23/945451123.db2.gz	MGHNUODMDSQMHR-QMMMGPOBSA-N	-1	1	387.385	-0.476	20	30		GBEDMM
C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000820451419	607323907	/nfs/dbraw/zinc/32/39/07/607323907.db2.gz	VMMHBXQZASYISK-LURJTMIESA-N	-1	1	393.414	-0.172	20	30		GBEDMM
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000820451431	607324076	/nfs/dbraw/zinc/32/40/76/607324076.db2.gz	VMMHBXQZASYISK-ZCFIWIBFSA-N	-1	1	393.414	-0.172	20	30		GBEDMM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000820452134	945455110	/nfs/dbraw/zinc/45/51/10/945455110.db2.gz	ZYSVVPPGTKBERA-MRVPVSSYSA-N	-1	1	387.385	-0.476	20	30		GBEDMM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N	ZINC000820452137	945455677	/nfs/dbraw/zinc/45/56/77/945455677.db2.gz	ZYSVVPPGTKBERA-QMMMGPOBSA-N	-1	1	387.385	-0.476	20	30		GBEDMM
C[C@@]1(c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cc2)NC(=O)NC1=O	ZINC000820628787	606196813	/nfs/dbraw/zinc/19/68/13/606196813.db2.gz	NWQLEULJLPNUPI-INIZCTEOSA-N	-1	1	392.339	-0.232	20	30		GBEDMM
C[C@]1(c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cc2)NC(=O)NC1=O	ZINC000820628794	606196597	/nfs/dbraw/zinc/19/65/97/606196597.db2.gz	NWQLEULJLPNUPI-MRXNPFEDSA-N	-1	1	392.339	-0.232	20	30		GBEDMM
C[C@@]1(c2cccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2)NC(=O)NC1=O	ZINC000820636505	607192629	/nfs/dbraw/zinc/19/26/29/607192629.db2.gz	SLZWODVTMLGGAG-INIZCTEOSA-N	-1	1	392.339	-0.232	20	30		GBEDMM
C[C@]1(c2cccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2)NC(=O)NC1=O	ZINC000820636506	607192587	/nfs/dbraw/zinc/19/25/87/607192587.db2.gz	SLZWODVTMLGGAG-MRXNPFEDSA-N	-1	1	392.339	-0.232	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000820788923	606777649	/nfs/dbraw/zinc/77/76/49/606777649.db2.gz	RKFJLEFDDAFAML-KPZWWZAWSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000820788923	606777647	/nfs/dbraw/zinc/77/76/47/606777647.db2.gz	RKFJLEFDDAFAML-KPZWWZAWSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000820788924	606777250	/nfs/dbraw/zinc/77/72/50/606777250.db2.gz	RKFJLEFDDAFAML-KZULUSFZSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000820788924	606777248	/nfs/dbraw/zinc/77/72/48/606777248.db2.gz	RKFJLEFDDAFAML-KZULUSFZSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000820788925	606777452	/nfs/dbraw/zinc/77/74/52/606777452.db2.gz	RKFJLEFDDAFAML-SGTLLEGYSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000820788925	606777451	/nfs/dbraw/zinc/77/74/51/606777451.db2.gz	RKFJLEFDDAFAML-SGTLLEGYSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000820788926	606777191	/nfs/dbraw/zinc/77/71/91/606777191.db2.gz	RKFJLEFDDAFAML-XIKOKIGWSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000820788926	606777189	/nfs/dbraw/zinc/77/71/89/606777189.db2.gz	RKFJLEFDDAFAML-XIKOKIGWSA-N	-1	1	396.459	-0.024	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)CCC#N	ZINC000820803753	606847812	/nfs/dbraw/zinc/84/78/12/606847812.db2.gz	GUBBTOJTQGAHHR-LLVKDONJSA-N	-1	1	392.449	-0.743	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)CCC#N	ZINC000820803753	606847810	/nfs/dbraw/zinc/84/78/10/606847810.db2.gz	GUBBTOJTQGAHHR-LLVKDONJSA-N	-1	1	392.449	-0.743	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)CCC#N	ZINC000820803754	606848027	/nfs/dbraw/zinc/84/80/27/606848027.db2.gz	GUBBTOJTQGAHHR-NSHDSACASA-N	-1	1	392.449	-0.743	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)CCC#N	ZINC000820803754	606848026	/nfs/dbraw/zinc/84/80/26/606848026.db2.gz	GUBBTOJTQGAHHR-NSHDSACASA-N	-1	1	392.449	-0.743	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCCC#N	ZINC000820804715	606848006	/nfs/dbraw/zinc/84/80/06/606848006.db2.gz	XYVVDMQYIQZHJJ-LLVKDONJSA-N	-1	1	377.434	-0.199	20	30		GBEDMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCCC#N	ZINC000820804715	606848005	/nfs/dbraw/zinc/84/80/05/606848005.db2.gz	XYVVDMQYIQZHJJ-LLVKDONJSA-N	-1	1	377.434	-0.199	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCCC#N	ZINC000820804716	606848015	/nfs/dbraw/zinc/84/80/15/606848015.db2.gz	XYVVDMQYIQZHJJ-NSHDSACASA-N	-1	1	377.434	-0.199	20	30		GBEDMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCCC#N	ZINC000820804716	606848014	/nfs/dbraw/zinc/84/80/14/606848014.db2.gz	XYVVDMQYIQZHJJ-NSHDSACASA-N	-1	1	377.434	-0.199	20	30		GBEDMM
CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C	ZINC000821066223	599489661	/nfs/dbraw/zinc/48/96/61/599489661.db2.gz	RVZYVTURVSQVDM-UHFFFAOYSA-N	-1	1	399.436	-0.361	20	30		GBEDMM
CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C	ZINC000821066223	599489659	/nfs/dbraw/zinc/48/96/59/599489659.db2.gz	RVZYVTURVSQVDM-UHFFFAOYSA-N	-1	1	399.436	-0.361	20	30		GBEDMM
CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1CC	ZINC000821114203	599489734	/nfs/dbraw/zinc/48/97/34/599489734.db2.gz	KVEFQDSQVSRFQG-UHFFFAOYSA-N	-1	1	399.436	-0.268	20	30		GBEDMM
CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1CC	ZINC000821114203	599489732	/nfs/dbraw/zinc/48/97/32/599489732.db2.gz	KVEFQDSQVSRFQG-UHFFFAOYSA-N	-1	1	399.436	-0.268	20	30		GBEDMM
CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C	ZINC000821114359	599490171	/nfs/dbraw/zinc/49/01/71/599490171.db2.gz	PEXPTPGCLPRMMA-UHFFFAOYSA-N	-1	1	385.409	-0.751	20	30		GBEDMM
CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C	ZINC000821114359	599490170	/nfs/dbraw/zinc/49/01/70/599490170.db2.gz	PEXPTPGCLPRMMA-UHFFFAOYSA-N	-1	1	385.409	-0.751	20	30		GBEDMM
CCCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)NC	ZINC000821143386	599489542	/nfs/dbraw/zinc/48/95/42/599489542.db2.gz	UJVLXOBLHNIQMD-UHFFFAOYSA-N	-1	1	385.409	-0.658	20	30		GBEDMM
CCCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)NC	ZINC000821143386	599489541	/nfs/dbraw/zinc/48/95/41/599489541.db2.gz	UJVLXOBLHNIQMD-UHFFFAOYSA-N	-1	1	385.409	-0.658	20	30		GBEDMM
CCN(CCC#N)C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000821207736	606783429	/nfs/dbraw/zinc/78/34/29/606783429.db2.gz	UCUKWRUCJSYFPW-CYBMUJFWSA-N	-1	1	384.448	-0.071	20	30		GBEDMM
CCN(CCC#N)C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000821207736	606783427	/nfs/dbraw/zinc/78/34/27/606783427.db2.gz	UCUKWRUCJSYFPW-CYBMUJFWSA-N	-1	1	384.448	-0.071	20	30		GBEDMM
CCN(CCC#N)C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000821207737	606783072	/nfs/dbraw/zinc/78/30/72/606783072.db2.gz	UCUKWRUCJSYFPW-ZDUSSCGKSA-N	-1	1	384.448	-0.071	20	30		GBEDMM
CCN(CCC#N)C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000821207737	606783070	/nfs/dbraw/zinc/78/30/70/606783070.db2.gz	UCUKWRUCJSYFPW-ZDUSSCGKSA-N	-1	1	384.448	-0.071	20	30		GBEDMM
CCOCCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C#N	ZINC000821384307	599490023	/nfs/dbraw/zinc/49/00/23/599490023.db2.gz	ULOGSTXBLIGUMX-UHFFFAOYSA-N	-1	1	383.393	-0.254	20	30		GBEDMM
CCOCCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C#N	ZINC000821384307	599490020	/nfs/dbraw/zinc/49/00/20/599490020.db2.gz	ULOGSTXBLIGUMX-UHFFFAOYSA-N	-1	1	383.393	-0.254	20	30		GBEDMM
CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)NC1CC1	ZINC000821563802	599490298	/nfs/dbraw/zinc/49/02/98/599490298.db2.gz	GHYINDKWSBBANA-UHFFFAOYSA-N	-1	1	397.420	-0.516	20	30		GBEDMM
CCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)NC1CC1	ZINC000821563802	599490297	/nfs/dbraw/zinc/49/02/97/599490297.db2.gz	GHYINDKWSBBANA-UHFFFAOYSA-N	-1	1	397.420	-0.516	20	30		GBEDMM
CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)NC(C)C	ZINC000821563977	599490142	/nfs/dbraw/zinc/49/01/42/599490142.db2.gz	OAOPLQLGOSKFOW-UHFFFAOYSA-N	-1	1	399.436	-0.270	20	30		GBEDMM
CCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)NC(C)C	ZINC000821563977	599490139	/nfs/dbraw/zinc/49/01/39/599490139.db2.gz	OAOPLQLGOSKFOW-UHFFFAOYSA-N	-1	1	399.436	-0.270	20	30		GBEDMM
CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1CC(C)C	ZINC000821629903	599489900	/nfs/dbraw/zinc/48/99/00/599489900.db2.gz	GGXWFJVWDWVAFD-UHFFFAOYSA-N	-1	1	399.436	-0.412	20	30		GBEDMM
CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1CC(C)C	ZINC000821629903	599489897	/nfs/dbraw/zinc/48/98/97/599489897.db2.gz	GGXWFJVWDWVAFD-UHFFFAOYSA-N	-1	1	399.436	-0.412	20	30		GBEDMM
CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C1CC1	ZINC000821630016	599490229	/nfs/dbraw/zinc/49/02/29/599490229.db2.gz	JAZOTRFUIJPVIG-UHFFFAOYSA-N	-1	1	383.393	-0.733	20	30		GBEDMM
CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C1CC1	ZINC000821630016	599490226	/nfs/dbraw/zinc/49/02/26/599490226.db2.gz	JAZOTRFUIJPVIG-UHFFFAOYSA-N	-1	1	383.393	-0.733	20	30		GBEDMM
CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)s2)c(=O)n1C1CC1	ZINC000821630107	606372655	/nfs/dbraw/zinc/37/26/55/606372655.db2.gz	MLOOLPSDBBMMHJ-UHFFFAOYSA-N	-1	1	399.461	-0.265	20	30		GBEDMM
CNC(=O)COc1cccc(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1	ZINC000821633973	607422320	/nfs/dbraw/zinc/42/23/20/607422320.db2.gz	MUDVSQFYEVRSFC-UHFFFAOYSA-N	-1	1	381.356	-0.233	20	30		GBEDMM
CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(C)o1	ZINC000821637504	606285760	/nfs/dbraw/zinc/28/57/60/606285760.db2.gz	IZFPANGQCDDHGP-UHFFFAOYSA-N	-1	1	377.346	-0.477	20	30		GBEDMM
CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)ccc1F	ZINC000821637553	606583626	/nfs/dbraw/zinc/58/36/26/606583626.db2.gz	KXURJHFVYWUNJL-UHFFFAOYSA-N	-1	1	391.348	-0.239	20	30		GBEDMM
CNS(=O)(=O)c1csc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1	ZINC000821637677	638002260	/nfs/dbraw/zinc/00/22/60/638002260.db2.gz	PAWNRCVPURWWTL-UHFFFAOYSA-N	-1	1	379.387	-0.317	20	30		GBEDMM
COC(=O)CN(CC#N)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1	ZINC000821662516	606070914	/nfs/dbraw/zinc/07/09/14/606070914.db2.gz	GGRGQKGVXKHRCE-UHFFFAOYSA-N	-1	1	395.383	-0.011	20	30		GBEDMM
COC(=O)CN(CC#N)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1	ZINC000821662516	606070908	/nfs/dbraw/zinc/07/09/08/606070908.db2.gz	GGRGQKGVXKHRCE-UHFFFAOYSA-N	-1	1	395.383	-0.011	20	30		GBEDMM
COCCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)s2)sc1=C(C#N)C#N	ZINC000821694526	606372801	/nfs/dbraw/zinc/37/28/01/606372801.db2.gz	QPTDJNRSYDCYBC-UHFFFAOYSA-N	-1	1	385.434	-0.176	20	30		GBEDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)o1	ZINC000822422679	607451491	/nfs/dbraw/zinc/45/14/91/607451491.db2.gz	BSNNAAUDCOOWSX-GFCCVEGCSA-N	-1	1	387.404	-0.964	20	30		GBEDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)o1	ZINC000822422687	607450968	/nfs/dbraw/zinc/45/09/68/607450968.db2.gz	BSNNAAUDCOOWSX-LBPRGKRZSA-N	-1	1	387.404	-0.964	20	30		GBEDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)o1	ZINC000822423135	606091077	/nfs/dbraw/zinc/09/10/77/606091077.db2.gz	HVISVRNSTYJXEK-GFCCVEGCSA-N	-1	1	387.404	-0.964	20	30		GBEDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)o1	ZINC000822423136	606089813	/nfs/dbraw/zinc/08/98/13/606089813.db2.gz	HVISVRNSTYJXEK-LBPRGKRZSA-N	-1	1	387.404	-0.964	20	30		GBEDMM
Cc1oc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1S(=O)(=O)N(C)C	ZINC000822541367	606632989	/nfs/dbraw/zinc/63/29/89/606632989.db2.gz	NRSXFYGMGFCMOD-UHFFFAOYSA-N	-1	1	391.373	-0.135	20	30		GBEDMM
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000822548485	606606925	/nfs/dbraw/zinc/60/69/25/606606925.db2.gz	LFEQMBHLZAXJTF-UHFFFAOYSA-N	-1	1	391.373	-0.135	20	30		GBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)s2)sc1=C(C#N)C(=O)NC1CC1	ZINC000822590099	606372325	/nfs/dbraw/zinc/37/23/25/606372325.db2.gz	IDLISDVNXUVDRE-UHFFFAOYSA-N	-1	1	399.461	-0.530	20	30		GBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)N1CCCC1	ZINC000822590116	599490621	/nfs/dbraw/zinc/49/06/21/599490621.db2.gz	INJAPVQRSHVTRE-UHFFFAOYSA-N	-1	1	397.420	-0.655	20	30		GBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)N1CCCC1	ZINC000822590116	599490618	/nfs/dbraw/zinc/49/06/18/599490618.db2.gz	INJAPVQRSHVTRE-UHFFFAOYSA-N	-1	1	397.420	-0.655	20	30		GBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)o2)sc1=C(C#N)C(=O)NC1CC1	ZINC000822590631	599490760	/nfs/dbraw/zinc/49/07/60/599490760.db2.gz	KWGRPHBUYMOBME-UHFFFAOYSA-N	-1	1	383.393	-0.998	20	30		GBEDMM
Cn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)o2)sc1=C(C#N)C(=O)NC1CC1	ZINC000822590631	599490757	/nfs/dbraw/zinc/49/07/57/599490757.db2.gz	KWGRPHBUYMOBME-UHFFFAOYSA-N	-1	1	383.393	-0.998	20	30		GBEDMM
Cn1c(N)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(=O)n(C)c1=O	ZINC000822601055	606619089	/nfs/dbraw/zinc/61/90/89/606619089.db2.gz	SUJNAOOUXHATKU-UHFFFAOYSA-N	-1	1	388.392	-0.422	20	30		GBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCS(=O)(=O)c2ccc(C#N)cc2)c1=O	ZINC000822605103	606308339	/nfs/dbraw/zinc/30/83/39/606308339.db2.gz	YQGXSGMBYVTBTA-UHFFFAOYSA-N	-1	1	387.381	-0.927	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1Cc1ccon1	ZINC000822801664	607004138	/nfs/dbraw/zinc/00/41/38/607004138.db2.gz	LTRPOGFLVFQQOX-UHFFFAOYSA-N	-1	1	392.360	-0.254	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1Cc1ccon1	ZINC000822801664	607004137	/nfs/dbraw/zinc/00/41/37/607004137.db2.gz	LTRPOGFLVFQQOX-UHFFFAOYSA-N	-1	1	392.360	-0.254	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C[C@H]1CCCO1	ZINC000822801745	599490557	/nfs/dbraw/zinc/49/05/57/599490557.db2.gz	NSVRJPFBTLCVAM-GFCCVEGCSA-N	-1	1	395.404	-0.111	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C[C@H]1CCCO1	ZINC000822801745	599490556	/nfs/dbraw/zinc/49/05/56/599490556.db2.gz	NSVRJPFBTLCVAM-GFCCVEGCSA-N	-1	1	395.404	-0.111	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C[C@@H]1CCCO1	ZINC000822801746	599490684	/nfs/dbraw/zinc/49/06/84/599490684.db2.gz	NSVRJPFBTLCVAM-LBPRGKRZSA-N	-1	1	395.404	-0.111	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C[C@@H]1CCCO1	ZINC000822801746	599490681	/nfs/dbraw/zinc/49/06/81/599490681.db2.gz	NSVRJPFBTLCVAM-LBPRGKRZSA-N	-1	1	395.404	-0.111	20	30		GBEDMM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000822802003	606429143	/nfs/dbraw/zinc/42/91/43/606429143.db2.gz	TZUZXGGZVJJMKM-AWEZNQCLSA-N	-1	1	378.400	-0.133	20	30		GBEDMM
N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000822802004	606429284	/nfs/dbraw/zinc/42/92/84/606429284.db2.gz	TZUZXGGZVJJMKM-CQSZACIVSA-N	-1	1	378.400	-0.133	20	30		GBEDMM
N#C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1Cc1ccccc1	ZINC000822806703	607217764	/nfs/dbraw/zinc/21/77/64/607217764.db2.gz	RSHPYCXTMMQRJY-AWEZNQCLSA-N	-1	1	378.400	-0.305	20	30		GBEDMM
N#C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1Cc1ccccc1	ZINC000822806704	607217962	/nfs/dbraw/zinc/21/79/62/607217962.db2.gz	RSHPYCXTMMQRJY-CQSZACIVSA-N	-1	1	378.400	-0.305	20	30		GBEDMM
N#Cc1[n-]c(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)nc1-c1nn[nH]n1	ZINC000822813970	599314376	/nfs/dbraw/zinc/31/43/76/599314376.db2.gz	AESJGTMJXFMZCZ-JTQLQIEISA-N	-1	1	391.351	-0.081	20	30		GBEDMM
N#Cc1[n-]c(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)nc1-c1nn[nH]n1	ZINC000822813971	599314464	/nfs/dbraw/zinc/31/44/64/599314464.db2.gz	AESJGTMJXFMZCZ-SNVBAGLBSA-N	-1	1	391.351	-0.081	20	30		GBEDMM
N#Cc1[n-]c(NC(=O)CN2CCN(c3ccccn3)CC2)nc1-c1nn[nH]n1	ZINC000822814553	599314773	/nfs/dbraw/zinc/31/47/73/599314773.db2.gz	JDDWRHVYBMUWNK-UHFFFAOYSA-N	-1	1	379.388	-0.383	20	30		GBEDMM
N#Cc1[n-]c(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)nc1-c1nn[nH]n1	ZINC000822815247	607423396	/nfs/dbraw/zinc/42/33/96/607423396.db2.gz	NNONFBUCOPXSAU-UHFFFAOYSA-N	-1	1	395.387	-0.031	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000822815388	607157768	/nfs/dbraw/zinc/15/77/68/607157768.db2.gz	QJUVTUYVARWNEX-UHFFFAOYSA-N	-1	1	395.322	-0.729	20	30		GBEDMM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000822822889	606394302	/nfs/dbraw/zinc/39/43/02/606394302.db2.gz	GWIIELHJWGSUJJ-UHFFFAOYSA-N	-1	1	398.362	-0.130	20	30		GBEDMM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000822822889	606394301	/nfs/dbraw/zinc/39/43/01/606394301.db2.gz	GWIIELHJWGSUJJ-UHFFFAOYSA-N	-1	1	398.362	-0.130	20	30		GBEDMM
N#Cc1ccc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1	ZINC000822825279	607206094	/nfs/dbraw/zinc/20/60/94/607206094.db2.gz	AQEYHPOGEXLDDS-UHFFFAOYSA-N	-1	1	378.400	-0.326	20	30		GBEDMM
N#Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)c1	ZINC000822829706	607332960	/nfs/dbraw/zinc/33/29/60/607332960.db2.gz	FIGMVAKXBIRMMT-UHFFFAOYSA-N	-1	1	398.362	-0.130	20	30		GBEDMM
N#Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)c1	ZINC000822829706	607332959	/nfs/dbraw/zinc/33/29/59/607332959.db2.gz	FIGMVAKXBIRMMT-UHFFFAOYSA-N	-1	1	398.362	-0.130	20	30		GBEDMM
N#Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c(F)c1	ZINC000822830260	607212824	/nfs/dbraw/zinc/21/28/24/607212824.db2.gz	ZPJANPUJBVZHGK-UHFFFAOYSA-N	-1	1	382.363	-0.182	20	30		GBEDMM
N#Cc1ncn(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1	ZINC000822845806	607207576	/nfs/dbraw/zinc/20/75/76/607207576.db2.gz	ICMDUFVJWMKLFB-UHFFFAOYSA-N	-1	1	395.387	-0.456	20	30		GBEDMM
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000822846343	607207784	/nfs/dbraw/zinc/20/77/84/607207784.db2.gz	YAILYTRQAAVRNS-UHFFFAOYSA-N	-1	1	395.387	-0.456	20	30		GBEDMM
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823534578	605468334	/nfs/dbraw/zinc/46/83/34/605468334.db2.gz	YTRFBIGTOXVRBA-JTQLQIEISA-N	-1	1	387.418	-0.729	20	30		GBEDMM
CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823534580	605468406	/nfs/dbraw/zinc/46/84/06/605468406.db2.gz	YTRFBIGTOXVRBA-SNVBAGLBSA-N	-1	1	387.418	-0.729	20	30		GBEDMM
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823844918	607593247	/nfs/dbraw/zinc/59/32/47/607593247.db2.gz	KFXAEUNFGFOXOA-JTQLQIEISA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823844918	607593246	/nfs/dbraw/zinc/59/32/46/607593246.db2.gz	KFXAEUNFGFOXOA-JTQLQIEISA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823844923	607593451	/nfs/dbraw/zinc/59/34/51/607593451.db2.gz	KFXAEUNFGFOXOA-SNVBAGLBSA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823844923	607593450	/nfs/dbraw/zinc/59/34/50/607593450.db2.gz	KFXAEUNFGFOXOA-SNVBAGLBSA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823846098	607593307	/nfs/dbraw/zinc/59/33/07/607593307.db2.gz	YUTCQSHOSVKBHI-LLVKDONJSA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823846101	607593554	/nfs/dbraw/zinc/59/35/54/607593554.db2.gz	YUTCQSHOSVKBHI-NSHDSACASA-N	-1	1	399.429	-0.183	20	30		GBEDMM
C#CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000823849895	608442786	/nfs/dbraw/zinc/44/27/86/608442786.db2.gz	BRMZFSTVUFFDAE-UHFFFAOYSA-N	-1	1	377.386	-0.286	20	30		GBEDMM
C#CCOCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000823856465	608145050	/nfs/dbraw/zinc/14/50/50/608145050.db2.gz	RYGBSIUVYONQQK-UHFFFAOYSA-N	-1	1	398.358	-0.104	20	30		GBEDMM
C#CCn1c(=O)c(=Cc2ccc(-c3nn[n-]n3)s2)sc1=C(C#N)C(=O)NC	ZINC000823861324	607964571	/nfs/dbraw/zinc/96/45/71/607964571.db2.gz	DPDPCTHOFNWJFL-UHFFFAOYSA-N	-1	1	397.445	-0.966	20	30		GBEDMM
C=CCNC(=O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C	ZINC000823919485	609265344	/nfs/dbraw/zinc/26/53/44/609265344.db2.gz	HSGSMEGLFDPEJA-UHFFFAOYSA-N	-1	1	383.416	-0.123	20	30		GBEDMM
C=CCNC(=O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C	ZINC000823919485	609265343	/nfs/dbraw/zinc/26/53/43/609265343.db2.gz	HSGSMEGLFDPEJA-UHFFFAOYSA-N	-1	1	383.416	-0.123	20	30		GBEDMM
C=CCNC(=O)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000823919679	609197296	/nfs/dbraw/zinc/19/72/96/609197296.db2.gz	MTLAOEMMYRPEFI-LLVKDONJSA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000823919679	609197295	/nfs/dbraw/zinc/19/72/95/609197295.db2.gz	MTLAOEMMYRPEFI-LLVKDONJSA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000823919680	609196979	/nfs/dbraw/zinc/19/69/79/609196979.db2.gz	MTLAOEMMYRPEFI-NSHDSACASA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000823919680	609196978	/nfs/dbraw/zinc/19/69/78/609196978.db2.gz	MTLAOEMMYRPEFI-NSHDSACASA-N	-1	1	386.420	-0.821	20	30		GBEDMM
C=CCNC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1	ZINC000823919995	609254466	/nfs/dbraw/zinc/25/44/66/609254466.db2.gz	WAKDCSLVQOBMFK-UHFFFAOYSA-N	-1	1	375.393	-0.825	20	30		GBEDMM
C=CCNC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1	ZINC000823919995	609254465	/nfs/dbraw/zinc/25/44/65/609254465.db2.gz	WAKDCSLVQOBMFK-UHFFFAOYSA-N	-1	1	375.393	-0.825	20	30		GBEDMM
C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823931605	638007565	/nfs/dbraw/zinc/00/75/65/638007565.db2.gz	AUCBWTRCNJMUMB-UHFFFAOYSA-N	-1	1	375.407	-0.115	20	30		GBEDMM
C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823931825	638007674	/nfs/dbraw/zinc/00/76/74/638007674.db2.gz	GNJGSHMEOMWKMJ-UHFFFAOYSA-N	-1	1	375.407	-0.115	20	30		GBEDMM
C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823931825	638007667	/nfs/dbraw/zinc/00/76/67/638007667.db2.gz	GNJGSHMEOMWKMJ-UHFFFAOYSA-N	-1	1	375.407	-0.115	20	30		GBEDMM
C=CCS(=O)(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000823932086	946520607	/nfs/dbraw/zinc/52/06/07/946520607.db2.gz	NZOJDCMFQPSULO-UHFFFAOYSA-N	-1	1	397.465	-0.653	20	30		GBEDMM
C=CCS(=O)(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000823932086	946520601	/nfs/dbraw/zinc/52/06/01/946520601.db2.gz	NZOJDCMFQPSULO-UHFFFAOYSA-N	-1	1	397.465	-0.653	20	30		GBEDMM
CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)CC1	ZINC000824184492	609513445	/nfs/dbraw/zinc/51/34/45/609513445.db2.gz	GZPPJDDMHDFZCM-LLVKDONJSA-N	-1	1	383.420	-0.791	20	30		GBEDMM
CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)CC1	ZINC000824184497	609513750	/nfs/dbraw/zinc/51/37/50/609513750.db2.gz	GZPPJDDMHDFZCM-NSHDSACASA-N	-1	1	383.420	-0.791	20	30		GBEDMM
CC(C)Cn1c(N)c(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c(=O)[nH]c1=O	ZINC000824280218	946641048	/nfs/dbraw/zinc/64/10/48/946641048.db2.gz	HAJJODNRZCAMDS-UHFFFAOYSA-N	-1	1	384.360	-0.682	20	30		GBEDMM
CC(C)Cn1c(N)c(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC000824280451	946644344	/nfs/dbraw/zinc/64/43/44/946644344.db2.gz	OFBCOFQPRDGFQG-UHFFFAOYSA-N	-1	1	384.360	-0.682	20	30		GBEDMM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000824759246	605468502	/nfs/dbraw/zinc/46/85/02/605468502.db2.gz	JXFVJLHPFWVHGA-JTQLQIEISA-N	-1	1	387.418	-0.729	20	30		GBEDMM
CC(C[C@H]1CCCN1C(=O)[O-])=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000824759247	605468094	/nfs/dbraw/zinc/46/80/94/605468094.db2.gz	JXFVJLHPFWVHGA-SNVBAGLBSA-N	-1	1	387.418	-0.729	20	30		GBEDMM
CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)C2=O	ZINC000824915532	946991261	/nfs/dbraw/zinc/99/12/61/946991261.db2.gz	FZFQUUXEBDONQF-UHFFFAOYSA-N	-1	1	398.387	-0.533	20	30		GBEDMM
CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc(-c3nn[n-]n3)c1C#N)C2=O	ZINC000824919350	946994070	/nfs/dbraw/zinc/99/40/70/946994070.db2.gz	UHQKVQZIOIUBRM-UHFFFAOYSA-N	-1	1	398.387	-0.533	20	30		GBEDMM
CCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000825281697	947141604	/nfs/dbraw/zinc/14/16/04/947141604.db2.gz	JDSYMVBGFVRCHJ-LLVKDONJSA-N	-1	1	392.445	-0.249	20	30		GBEDMM
CCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000825281701	947141984	/nfs/dbraw/zinc/14/19/84/947141984.db2.gz	JDSYMVBGFVRCHJ-NSHDSACASA-N	-1	1	392.445	-0.249	20	30		GBEDMM
CCCCN(C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1	ZINC000825281872	947141365	/nfs/dbraw/zinc/14/13/65/947141365.db2.gz	LMWRAWDPWNVXFA-LLVKDONJSA-N	-1	1	392.445	-0.249	20	30		GBEDMM
CCCCN(C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1	ZINC000825281873	947142055	/nfs/dbraw/zinc/14/20/55/947142055.db2.gz	LMWRAWDPWNVXFA-NSHDSACASA-N	-1	1	392.445	-0.249	20	30		GBEDMM
CCCCn1c2nc(Cn3cnc(-c4nn[n-]n4)c3C#N)n(C)c2c(=O)[nH]c1=O	ZINC000825296274	947146997	/nfs/dbraw/zinc/14/69/97/947146997.db2.gz	BHXWKPMZCNEHQV-UHFFFAOYSA-N	-1	1	395.387	-0.068	20	30		GBEDMM
CCCCn1c2nc(Cn3cnc(C#N)c3-c3nn[n-]n3)n(C)c2c(=O)[nH]c1=O	ZINC000825296512	947146201	/nfs/dbraw/zinc/14/62/01/947146201.db2.gz	MMPQUSYLXSCRJL-UHFFFAOYSA-N	-1	1	395.387	-0.068	20	30		GBEDMM
CCOC(=O)c1cnn2c1nccc2C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000825571342	608116760	/nfs/dbraw/zinc/11/67/60/608116760.db2.gz	YWEFRSFEJVJXFI-UHFFFAOYSA-N	-1	1	393.327	-0.067	20	30		GBEDMM
CCOC(=O)c1cnn(Cc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c1C#N	ZINC000825571343	947237381	/nfs/dbraw/zinc/23/73/81/947237381.db2.gz	YXLUNPUNTUXLPU-UHFFFAOYSA-N	-1	1	380.328	-0.092	20	30		GBEDMM
CCOC(=O)c1cnn(Cc2cc(=O)n3ncc(C#N)c3[nH]2)c1-c1nn[n-]n1	ZINC000825571356	947237802	/nfs/dbraw/zinc/23/78/02/947237802.db2.gz	ZNEVWFCBTDGPRL-UHFFFAOYSA-N	-1	1	380.328	-0.092	20	30		GBEDMM
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C(=O)OC)c2C#N)c1=O	ZINC000825799087	607893297	/nfs/dbraw/zinc/89/32/97/607893297.db2.gz	CUMOVHITWLPCJE-UHFFFAOYSA-N	-1	1	381.352	-0.083	20	30		GBEDMM
CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)n(C)c1	ZINC000825875189	947352160	/nfs/dbraw/zinc/35/21/60/947352160.db2.gz	CYQFTBZTWJLMLP-UHFFFAOYSA-N	-1	1	390.389	-0.697	20	30		GBEDMM
CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)co1	ZINC000825875772	607928275	/nfs/dbraw/zinc/92/82/75/607928275.db2.gz	XUNGNUPCZKDAKO-UHFFFAOYSA-N	-1	1	377.346	-0.443	20	30		GBEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNc1ccc(C#N)cn1	ZINC000825930312	947374596	/nfs/dbraw/zinc/37/45/96/947374596.db2.gz	RYCSPHXOLVHRTP-UHFFFAOYSA-N	-1	1	381.404	-0.058	20	30		GBEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNc1ccc(C#N)cn1	ZINC000825930312	947374586	/nfs/dbraw/zinc/37/45/86/947374586.db2.gz	RYCSPHXOLVHRTP-UHFFFAOYSA-N	-1	1	381.404	-0.058	20	30		GBEDMM
COC(=O)CN(CC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826138352	607619765	/nfs/dbraw/zinc/61/97/65/607619765.db2.gz	QVQJXEXGMYXCRT-UHFFFAOYSA-N	-1	1	381.330	-0.538	20	30		GBEDMM
COc1ccccc1N(CCC(N)=O)C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N	ZINC000826220199	947652895	/nfs/dbraw/zinc/65/28/95/947652895.db2.gz	FWEJNJWJGNSBAB-UHFFFAOYSA-N	-1	1	395.383	-0.148	20	30		GBEDMM
COc1ccccc1N(CCC(N)=O)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1	ZINC000826220370	947654119	/nfs/dbraw/zinc/65/41/19/947654119.db2.gz	LTBXINBVCRLYEW-UHFFFAOYSA-N	-1	1	395.383	-0.148	20	30		GBEDMM
Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1C	ZINC000826272489	607780300	/nfs/dbraw/zinc/78/03/00/607780300.db2.gz	LZRXSRVVNIUGSR-UHFFFAOYSA-N	-1	1	387.385	-0.022	20	30		GBEDMM
Cc1nn(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(=O)c(-c2nn[n-]n2)c1C	ZINC000826334148	609513009	/nfs/dbraw/zinc/51/30/09/609513009.db2.gz	JUUJKZMCQTWPFL-AWEZNQCLSA-N	-1	1	399.459	-0.267	20	30		GBEDMM
Cc1nn(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(=O)c(-c2nn[n-]n2)c1C	ZINC000826334149	609512650	/nfs/dbraw/zinc/51/26/50/609512650.db2.gz	JUUJKZMCQTWPFL-CQSZACIVSA-N	-1	1	399.459	-0.267	20	30		GBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](c3cccc(C#N)c3)C2)n(C)c1=O	ZINC000826355962	608052606	/nfs/dbraw/zinc/05/26/06/608052606.db2.gz	UZGSQTUKESHRPT-CYBMUJFWSA-N	-1	1	394.395	-0.286	20	30		GBEDMM
Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](c3cccc(C#N)c3)C2)n(C)c1=O	ZINC000826355963	608052414	/nfs/dbraw/zinc/05/24/14/608052414.db2.gz	UZGSQTUKESHRPT-ZDUSSCGKSA-N	-1	1	394.395	-0.286	20	30		GBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3cccc(C#N)c3)o2)c1=O	ZINC000826356882	608095945	/nfs/dbraw/zinc/09/59/45/608095945.db2.gz	JPEMORJNDWPMAM-UHFFFAOYSA-N	-1	1	377.324	-0.303	20	30		GBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(CCS(=O)(=O)c2cccc(C#N)c2)c1=O	ZINC000826357079	607814807	/nfs/dbraw/zinc/81/48/07/607814807.db2.gz	QGXSFNBGWISIMY-UHFFFAOYSA-N	-1	1	387.381	-0.927	20	30		GBEDMM
Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3ccc(C#N)cc3)o2)c1=O	ZINC000826357283	608096741	/nfs/dbraw/zinc/09/67/41/608096741.db2.gz	YVBNGOLUYXHUFA-UHFFFAOYSA-N	-1	1	377.324	-0.303	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C[C@@H]1CCOC1	ZINC000826379550	607541725	/nfs/dbraw/zinc/54/17/25/607541725.db2.gz	VFVUYFWJXXOLHU-JTQLQIEISA-N	-1	1	395.404	-0.254	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C[C@@H]1CCOC1	ZINC000826379550	607541722	/nfs/dbraw/zinc/54/17/22/607541722.db2.gz	VFVUYFWJXXOLHU-JTQLQIEISA-N	-1	1	395.404	-0.254	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C[C@H]1CCOC1	ZINC000826379551	607541882	/nfs/dbraw/zinc/54/18/82/607541882.db2.gz	VFVUYFWJXXOLHU-SNVBAGLBSA-N	-1	1	395.404	-0.254	20	30		GBEDMM
N#CC(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C[C@H]1CCOC1	ZINC000826379551	607541879	/nfs/dbraw/zinc/54/18/79/607541879.db2.gz	VFVUYFWJXXOLHU-SNVBAGLBSA-N	-1	1	395.404	-0.254	20	30		GBEDMM
N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000826379758	609513892	/nfs/dbraw/zinc/51/38/92/609513892.db2.gz	AKVPYHSPQKCEJC-LLVKDONJSA-N	-1	1	384.429	-0.071	20	30		GBEDMM
N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1	ZINC000826379759	609513589	/nfs/dbraw/zinc/51/35/89/609513589.db2.gz	AKVPYHSPQKCEJC-NSHDSACASA-N	-1	1	384.429	-0.071	20	30		GBEDMM
N#CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000826381819	607603348	/nfs/dbraw/zinc/60/33/48/607603348.db2.gz	AGEZECSIUOVXFV-UHFFFAOYSA-N	-1	1	378.374	-0.395	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000826382371	609176987	/nfs/dbraw/zinc/17/69/87/609176987.db2.gz	BCOIRLMNIZSQDM-UHFFFAOYSA-N	-1	1	382.388	-0.546	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)NCCCN1CCCCCC1=O	ZINC000826382386	609174635	/nfs/dbraw/zinc/17/46/35/609174635.db2.gz	BSRWWBNSDNNPPX-UHFFFAOYSA-N	-1	1	386.420	-0.574	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)NCCN1CCc2ccccc21	ZINC000826382646	609174912	/nfs/dbraw/zinc/17/49/12/609174912.db2.gz	ONFISXWOEZESJR-UHFFFAOYSA-N	-1	1	378.400	-0.304	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000826382822	609488692	/nfs/dbraw/zinc/48/86/92/609488692.db2.gz	WTENIUTZFLZOJJ-UHFFFAOYSA-N	-1	1	389.357	-0.101	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCN(Cc2ccsc2)CC1	ZINC000826382881	609174771	/nfs/dbraw/zinc/17/47/71/609174771.db2.gz	YXCSKVCDJGVHFY-UHFFFAOYSA-N	-1	1	398.456	-0.077	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1Cn1nnc2c(cnn2-c2ccccc2)c1=O	ZINC000826383194	948183050	/nfs/dbraw/zinc/18/30/50/948183050.db2.gz	OLZXCBZDVGBTOZ-UHFFFAOYSA-N	-1	1	386.339	-0.269	20	30		GBEDMM
N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N(CCC(N)=O)Cc1ccccc1	ZINC000826383392	948182699	/nfs/dbraw/zinc/18/26/99/948182699.db2.gz	YNSJMKFJZPLCAV-UHFFFAOYSA-N	-1	1	379.384	-0.161	20	30		GBEDMM
N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1	ZINC000826385690	609265456	/nfs/dbraw/zinc/26/54/56/609265456.db2.gz	XCIBAXHEXOBKAY-CYBMUJFWSA-N	-1	1	392.383	-0.358	20	30		GBEDMM
N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1	ZINC000826385691	609265782	/nfs/dbraw/zinc/26/57/82/609265782.db2.gz	XCIBAXHEXOBKAY-ZDUSSCGKSA-N	-1	1	392.383	-0.358	20	30		GBEDMM
N#Cc1cnn(C(=O)[C@@H]2CCC[C@@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)c1N	ZINC000826387536	608120158	/nfs/dbraw/zinc/12/01/58/608120158.db2.gz	AGTFLTGDTVWVFJ-BDAKNGLRSA-N	-1	1	381.360	-0.307	20	30		GBEDMM
N#Cc1cnn(C(=O)[C@H]2CCC[C@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)c1N	ZINC000826387537	608120177	/nfs/dbraw/zinc/12/01/77/608120177.db2.gz	AGTFLTGDTVWVFJ-DTWKUNHWSA-N	-1	1	381.360	-0.307	20	30		GBEDMM
N#Cc1cnn(C(=O)[C@H]2CCC[C@@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)c1N	ZINC000826387538	608120099	/nfs/dbraw/zinc/12/00/99/608120099.db2.gz	AGTFLTGDTVWVFJ-IUCAKERBSA-N	-1	1	381.360	-0.307	20	30		GBEDMM
N#Cc1cnn(C(=O)[C@@H]2CCC[C@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)c1N	ZINC000826387539	608120031	/nfs/dbraw/zinc/12/00/31/608120031.db2.gz	AGTFLTGDTVWVFJ-RKDXNWHRSA-N	-1	1	381.360	-0.307	20	30		GBEDMM
N#Cc1cnn(C(=O)c2cccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2)c1N	ZINC000826387686	608569115	/nfs/dbraw/zinc/56/91/15/608569115.db2.gz	KYYIHAURWDELOV-UHFFFAOYSA-N	-1	1	389.339	-0.327	20	30		GBEDMM
N#Cc1ncn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1-c1nn[n-]n1	ZINC000826388168	948194010	/nfs/dbraw/zinc/19/40/10/948194010.db2.gz	LAALMCOIQMZRQW-UHFFFAOYSA-N	-1	1	379.384	-0.161	20	30		GBEDMM
N#Cc1ncn(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1-c1nn[n-]n1	ZINC000826388414	948193626	/nfs/dbraw/zinc/19/36/26/948193626.db2.gz	XLMNYUIKLHAHEY-UHFFFAOYSA-N	-1	1	386.339	-0.269	20	30		GBEDMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1	ZINC000827361418	601092965	/nfs/dbraw/zinc/09/29/65/601092965.db2.gz	AESBXNAYSOCANN-GFCCVEGCSA-N	-1	1	394.453	-0.268	20	30		GBEDMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1	ZINC000827361421	601092530	/nfs/dbraw/zinc/09/25/30/601092530.db2.gz	AESBXNAYSOCANN-LBPRGKRZSA-N	-1	1	394.453	-0.268	20	30		GBEDMM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000831082089	603602627	/nfs/dbraw/zinc/60/26/27/603602627.db2.gz	IAVJMMSXGQQHQJ-LLVKDONJSA-N	-1	1	383.364	-0.028	20	30		GBEDMM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000831082090	603602633	/nfs/dbraw/zinc/60/26/33/603602633.db2.gz	IAVJMMSXGQQHQJ-NSHDSACASA-N	-1	1	383.364	-0.028	20	30		GBEDMM
N#Cc1cc(F)c(S(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c(F)c1	ZINC000831113674	603915273	/nfs/dbraw/zinc/91/52/73/603915273.db2.gz	FNOCKOHNAKZDGX-UHFFFAOYSA-N	-1	1	388.352	-0.063	20	30		GBEDMM
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000831270174	638024542	/nfs/dbraw/zinc/02/45/42/638024542.db2.gz	OMHDFHMOBZYOAZ-SECBINFHSA-N	-1	1	380.195	-0.155	20	30		GBEDMM
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000831270178	638024713	/nfs/dbraw/zinc/02/47/13/638024713.db2.gz	OMHDFHMOBZYOAZ-VIFPVBQESA-N	-1	1	380.195	-0.155	20	30		GBEDMM
C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1	ZINC000831574459	638025579	/nfs/dbraw/zinc/02/55/79/638025579.db2.gz	HNOBJJLHRGYLCY-UHFFFAOYSA-N	-1	1	380.455	-0.757	20	30		GBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000833364114	604896029	/nfs/dbraw/zinc/89/60/29/604896029.db2.gz	KAJNSMFOJPBHAC-AWEZNQCLSA-N	-1	1	376.394	-0.253	20	30		GBEDMM
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1	ZINC000833364507	604895842	/nfs/dbraw/zinc/89/58/42/604895842.db2.gz	STQOWNGFMSKSJE-AWEZNQCLSA-N	-1	1	376.394	-0.253	20	30		GBEDMM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000833523515	605080823	/nfs/dbraw/zinc/08/08/23/605080823.db2.gz	QJPKOQGSLQLOLY-HZMBPMFUSA-N	-1	1	391.409	-0.240	20	30		GBEDMM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000833523516	605079461	/nfs/dbraw/zinc/07/94/61/605079461.db2.gz	QJPKOQGSLQLOLY-YGRLFVJLSA-N	-1	1	391.409	-0.240	20	30		GBEDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000833626299	605139646	/nfs/dbraw/zinc/13/96/46/605139646.db2.gz	PPPWIYJDOGFOOW-IUDBQGPFSA-N	-1	1	379.417	-0.297	20	30		GBEDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000833626304	605139133	/nfs/dbraw/zinc/13/91/33/605139133.db2.gz	PPPWIYJDOGFOOW-KXEGMRRWSA-N	-1	1	379.417	-0.297	20	30		GBEDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000833626306	605139303	/nfs/dbraw/zinc/13/93/03/605139303.db2.gz	PPPWIYJDOGFOOW-SUQMRRJOSA-N	-1	1	379.417	-0.297	20	30		GBEDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)C1N=CC=CC1=O	ZINC000833626309	605138942	/nfs/dbraw/zinc/13/89/42/605138942.db2.gz	PPPWIYJDOGFOOW-VVLLMFOMSA-N	-1	1	379.417	-0.297	20	30		GBEDMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CN=C1NS(=O)(=O)c2ccccc21	ZINC000833764377	604902076	/nfs/dbraw/zinc/90/20/76/604902076.db2.gz	DLTCWCZZWLTVDM-NSHDSACASA-N	-1	1	377.382	-0.740	20	30		GBEDMM
Cn1cc(S(=O)(=O)NN=C2CCCCC[C@H]2NC(=O)[O-])c(=O)n(C)c1=O	ZINC000833951574	606079615	/nfs/dbraw/zinc/07/96/15/606079615.db2.gz	XDNZURXQURLLJP-SECBINFHSA-N	-1	1	387.418	-0.681	20	30		GBEDMM
Cn1cc(S(=O)(=O)NN=C2CCCCC[C@@H]2NC(=O)[O-])c(=O)n(C)c1=O	ZINC000833951580	606079793	/nfs/dbraw/zinc/07/97/93/606079793.db2.gz	XDNZURXQURLLJP-VIFPVBQESA-N	-1	1	387.418	-0.681	20	30		GBEDMM
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(SC)n[nH]1	ZINC000848960457	638101393	/nfs/dbraw/zinc/10/13/93/638101393.db2.gz	BGYPSIDLYPGTAX-SECBINFHSA-N	-1	1	381.505	-0.058	20	30		GBEDMM
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(SC)n[nH]1	ZINC000848960459	638101472	/nfs/dbraw/zinc/10/14/72/638101472.db2.gz	BGYPSIDLYPGTAX-VIFPVBQESA-N	-1	1	381.505	-0.058	20	30		GBEDMM
C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000848960521	638101963	/nfs/dbraw/zinc/10/19/63/638101963.db2.gz	DCJDTVWJMPKJBZ-JTQLQIEISA-N	-1	1	378.480	-0.714	20	30		GBEDMM
C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000848960544	638102096	/nfs/dbraw/zinc/10/20/96/638102096.db2.gz	HSGUWSIIEYTUAM-UHFFFAOYSA-N	-1	1	392.507	-0.324	20	30		GBEDMM
C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1	ZINC000848960590	638101884	/nfs/dbraw/zinc/10/18/84/638101884.db2.gz	DCJDTVWJMPKJBZ-SNVBAGLBSA-N	-1	1	378.480	-0.714	20	30		GBEDMM
C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000848961889	638104154	/nfs/dbraw/zinc/10/41/54/638104154.db2.gz	RYQBCJLQITZIIK-UHFFFAOYSA-N	-1	1	385.471	-0.632	20	30		GBEDMM
C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)CC1	ZINC000848962799	638106474	/nfs/dbraw/zinc/10/64/74/638106474.db2.gz	XRRQEWQRCKWVRG-UHFFFAOYSA-N	-1	1	386.499	-0.206	20	30		GBEDMM
C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000848965777	638115095	/nfs/dbraw/zinc/11/50/95/638115095.db2.gz	XAUCUBKOKMFPNC-LLVKDONJSA-N	-1	1	385.471	-0.585	20	30		GBEDMM
C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000848965779	638115037	/nfs/dbraw/zinc/11/50/37/638115037.db2.gz	XAUCUBKOKMFPNC-NSHDSACASA-N	-1	1	385.471	-0.585	20	30		GBEDMM
C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)[nH]n1	ZINC000848967151	638119398	/nfs/dbraw/zinc/11/93/98/638119398.db2.gz	RSYKNCQVYIKRQW-GFCCVEGCSA-N	-1	1	390.487	-0.012	20	30		GBEDMM
C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cc([C@H]2CCCOC2)[nH]n1	ZINC000848967152	638119242	/nfs/dbraw/zinc/11/92/42/638119242.db2.gz	RSYKNCQVYIKRQW-LBPRGKRZSA-N	-1	1	390.487	-0.012	20	30		GBEDMM
C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C2CCOCC2)[nH]n1	ZINC000848967354	638119519	/nfs/dbraw/zinc/11/95/19/638119519.db2.gz	YMIWNSWYZKGFOX-UHFFFAOYSA-N	-1	1	390.487	-0.012	20	30		GBEDMM
CN(CCC#N)S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849232488	638126459	/nfs/dbraw/zinc/12/64/59/638126459.db2.gz	NRAHWVZLEOLVFH-BDAKNGLRSA-N	-1	1	386.352	-0.327	20	30		GBEDMM
CN(CCC#N)S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849232489	638126592	/nfs/dbraw/zinc/12/65/92/638126592.db2.gz	NRAHWVZLEOLVFH-DTWKUNHWSA-N	-1	1	386.352	-0.327	20	30		GBEDMM
CN(CCC#N)S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849232490	638126556	/nfs/dbraw/zinc/12/65/56/638126556.db2.gz	NRAHWVZLEOLVFH-IUCAKERBSA-N	-1	1	386.352	-0.327	20	30		GBEDMM
CN(CCC#N)S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849232491	638126467	/nfs/dbraw/zinc/12/64/67/638126467.db2.gz	NRAHWVZLEOLVFH-RKDXNWHRSA-N	-1	1	386.352	-0.327	20	30		GBEDMM
CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1	ZINC000854832822	638188226	/nfs/dbraw/zinc/18/82/26/638188226.db2.gz	KFUSJRMTGLPCTP-UHFFFAOYSA-N	-1	1	386.455	-0.006	20	30		GBEDMM
CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1	ZINC000854834087	638191025	/nfs/dbraw/zinc/19/10/25/638191025.db2.gz	YXSIYJDMOWXDQY-UHFFFAOYSA-N	-1	1	386.455	-0.006	20	30		GBEDMM
C#CCN1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1	ZINC000903650615	637437721	/nfs/dbraw/zinc/43/77/21/637437721.db2.gz	RKUWIFHOTBNDJO-GFCCVEGCSA-N	-1	1	387.474	-0.422	20	30		GBEDMM
C#CCN1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1	ZINC000903650616	637437596	/nfs/dbraw/zinc/43/75/96/637437596.db2.gz	RKUWIFHOTBNDJO-LBPRGKRZSA-N	-1	1	387.474	-0.422	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O	ZINC000970712136	1072391463	/nfs/dbraw/zinc/39/14/63/1072391463.db2.gz	VJCPFYLBIQJBLV-RZFFKMDDSA-N	-1	1	388.424	-0.048	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC001023757028	1072592437	/nfs/dbraw/zinc/59/24/37/1072592437.db2.gz	QOQDUJRYZPISPG-NGFQHRJXSA-N	-1	1	388.424	-0.048	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O	ZINC001025711468	1073175571	/nfs/dbraw/zinc/17/55/71/1073175571.db2.gz	VJCPFYLBIQJBLV-NGFQHRJXSA-N	-1	1	388.424	-0.048	20	30		GBEDMM
CN1CCN(c2cc(C(=O)NCCn3cc(C#N)c(=O)[n-]c3=O)ccn2)CC1	ZINC001167523798	1072304247	/nfs/dbraw/zinc/30/42/47/1072304247.db2.gz	SVCYZUGBPBQIQC-UHFFFAOYSA-N	-1	1	383.412	-0.603	20	30		GBEDMM
C#Cc1ccc(Nc2[n-]c(=O)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC001210116238	1072298217	/nfs/dbraw/zinc/29/82/17/1072298217.db2.gz	JUEDHVBARGZXGF-LSCFUAHRSA-N	-1	1	383.364	-0.132	20	30		GBEDMM
N#Cc1ncc(N2CCC[C@H](N3CCCS3(=O)=O)C2)nc1-c1nn[n-]n1	ZINC001571116620	952475588	/nfs/dbraw/zinc/47/55/88/952475588.db2.gz	AOCJAHWCHNXQIC-JTQLQIEISA-N	-1	1	375.418	-0.467	20	30		GBEDMM
N#Cc1ncc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nc1-c1nn[n-]n1	ZINC001571116621	952475207	/nfs/dbraw/zinc/47/52/07/952475207.db2.gz	AOCJAHWCHNXQIC-SNVBAGLBSA-N	-1	1	375.418	-0.467	20	30		GBEDMM
N#Cc1nc(N2CCC[C@H](N3CCCS3(=O)=O)C2)cnc1-c1nn[n-]n1	ZINC001571117355	952480883	/nfs/dbraw/zinc/48/08/83/952480883.db2.gz	KBLWASRLZOVQFH-JTQLQIEISA-N	-1	1	375.418	-0.467	20	30		GBEDMM
N#Cc1nc(N2CCC[C@H](N3CCCS3(=O)=O)C2)cnc1-c1nnn[n-]1	ZINC001571117355	952480880	/nfs/dbraw/zinc/48/08/80/952480880.db2.gz	KBLWASRLZOVQFH-JTQLQIEISA-N	-1	1	375.418	-0.467	20	30		GBEDMM
N#Cc1nc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)cnc1-c1nn[n-]n1	ZINC001571117356	952482291	/nfs/dbraw/zinc/48/22/91/952482291.db2.gz	KBLWASRLZOVQFH-SNVBAGLBSA-N	-1	1	375.418	-0.467	20	30		GBEDMM
N#Cc1nc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)cnc1-c1nnn[n-]1	ZINC001571117356	952482288	/nfs/dbraw/zinc/48/22/88/952482288.db2.gz	KBLWASRLZOVQFH-SNVBAGLBSA-N	-1	1	375.418	-0.467	20	30		GBEDMM
N#Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c[nH]1	ZINC001571119562	952492816	/nfs/dbraw/zinc/49/28/16/952492816.db2.gz	CNMQJRODALPEAU-XYYAHUGASA-N	-1	1	376.384	-0.031	20	30		GBEDMM
N#Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c[nH]1	ZINC001571119562	952492808	/nfs/dbraw/zinc/49/28/08/952492808.db2.gz	CNMQJRODALPEAU-XYYAHUGASA-N	-1	1	376.384	-0.031	20	30		GBEDMM
CN(CCc1cccc(C#N)c1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001571152040	952680931	/nfs/dbraw/zinc/68/09/31/952680931.db2.gz	BNHWCZDLEILCHV-UHFFFAOYSA-N	-1	1	380.368	-0.298	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)[nH]1	ZINC001571152259	952682082	/nfs/dbraw/zinc/68/20/82/952682082.db2.gz	GJZSJTRFXIGQHS-LLVKDONJSA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)[nH]1	ZINC001571152259	952682080	/nfs/dbraw/zinc/68/20/80/952682080.db2.gz	GJZSJTRFXIGQHS-LLVKDONJSA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)[nH]1	ZINC001571152260	952682073	/nfs/dbraw/zinc/68/20/73/952682073.db2.gz	GJZSJTRFXIGQHS-NSHDSACASA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)[nH]1	ZINC001571152260	952682069	/nfs/dbraw/zinc/68/20/69/952682069.db2.gz	GJZSJTRFXIGQHS-NSHDSACASA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#CC[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1	ZINC001571152631	952683257	/nfs/dbraw/zinc/68/32/57/952683257.db2.gz	IINOPTMHJBJWEJ-GFCCVEGCSA-N	-1	1	380.368	-0.057	20	30		GBEDMM
N#CC[C@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1	ZINC001571152632	952683279	/nfs/dbraw/zinc/68/32/79/952683279.db2.gz	IINOPTMHJBJWEJ-LBPRGKRZSA-N	-1	1	380.368	-0.057	20	30		GBEDMM
N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1	ZINC001571152937	952684185	/nfs/dbraw/zinc/68/41/85/952684185.db2.gz	LRNYGTTXZNOIJW-LLVKDONJSA-N	-1	1	380.372	-0.769	20	30		GBEDMM
N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1	ZINC001571152938	952684148	/nfs/dbraw/zinc/68/41/48/952684148.db2.gz	LRNYGTTXZNOIJW-NSHDSACASA-N	-1	1	380.372	-0.769	20	30		GBEDMM
N#Cc1cc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1	ZINC001571153664	952687280	/nfs/dbraw/zinc/68/72/80/952687280.db2.gz	TUKYVPPHAQFCBD-GFCCVEGCSA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1cc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1	ZINC001571153664	952687278	/nfs/dbraw/zinc/68/72/78/952687278.db2.gz	TUKYVPPHAQFCBD-GFCCVEGCSA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1cc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1	ZINC001571153665	952687384	/nfs/dbraw/zinc/68/73/84/952687384.db2.gz	TUKYVPPHAQFCBD-LBPRGKRZSA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1cc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1	ZINC001571153665	952687378	/nfs/dbraw/zinc/68/73/78/952687378.db2.gz	TUKYVPPHAQFCBD-LBPRGKRZSA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1	ZINC001571153898	952687467	/nfs/dbraw/zinc/68/74/67/952687467.db2.gz	UYGVOCZPXYBVIS-LLVKDONJSA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1	ZINC001571153898	952687463	/nfs/dbraw/zinc/68/74/63/952687463.db2.gz	UYGVOCZPXYBVIS-LLVKDONJSA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1	ZINC001571153899	952687664	/nfs/dbraw/zinc/68/76/64/952687664.db2.gz	UYGVOCZPXYBVIS-NSHDSACASA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1	ZINC001571153899	952687661	/nfs/dbraw/zinc/68/76/61/952687661.db2.gz	UYGVOCZPXYBVIS-NSHDSACASA-N	-1	1	380.372	-0.190	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)[nH]1	ZINC001571153902	952688533	/nfs/dbraw/zinc/68/85/33/952688533.db2.gz	UYWRASJPGIGDRL-LLVKDONJSA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)[nH]1	ZINC001571153902	952688529	/nfs/dbraw/zinc/68/85/29/952688529.db2.gz	UYWRASJPGIGDRL-LLVKDONJSA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)[nH]1	ZINC001571153903	952688554	/nfs/dbraw/zinc/68/85/54/952688554.db2.gz	UYWRASJPGIGDRL-NSHDSACASA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)[nH]1	ZINC001571153903	952688551	/nfs/dbraw/zinc/68/85/51/952688551.db2.gz	UYWRASJPGIGDRL-NSHDSACASA-N	-1	1	380.372	-0.508	20	30		GBEDMM
N#Cc1cc(C(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)ccc1F	ZINC001571194614	952965421	/nfs/dbraw/zinc/96/54/21/952965421.db2.gz	OYFPRTSIDSGCQN-UHFFFAOYSA-N	-1	1	382.315	-0.163	20	30		GBEDMM
COc1cc(C#N)ccc1Cn1c(=O)c(-c2nn[n-]n2)c(C)n(CCO)c1=O	ZINC001571217972	953111993	/nfs/dbraw/zinc/11/19/93/953111993.db2.gz	JSEDOACTXXVGLA-UHFFFAOYSA-N	-1	1	383.368	-0.581	20	30		GBEDMM
C=C(Cl)C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OCC	ZINC001571234992	953207743	/nfs/dbraw/zinc/20/77/43/953207743.db2.gz	PBDBCBZRPJMEIY-MRVPVSSYSA-N	-1	1	383.796	-0.250	20	30		GBEDMM
C=C(Cl)C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OCC	ZINC001571234993	953208044	/nfs/dbraw/zinc/20/80/44/953208044.db2.gz	PBDBCBZRPJMEIY-QMMMGPOBSA-N	-1	1	383.796	-0.250	20	30		GBEDMM
N#Cc1[n-]c(NC(=O)Cc2csc(N3CCOCC3)n2)nc1-c1nn[nH]n1	ZINC001571268895	945608164	/nfs/dbraw/zinc/60/81/64/945608164.db2.gz	YUCHPRXYJGQOAD-UHFFFAOYSA-N	-1	1	386.401	-0.064	20	30		GBEDMM
N#Cc1c(F)cc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1F	ZINC001571285679	945925939	/nfs/dbraw/zinc/92/59/39/945925939.db2.gz	LPSFCHUZYLTJTB-UHFFFAOYSA-N	-1	1	388.294	-0.291	20	30		GBEDMM
N#Cc1nc(N2CCC(S(=O)(=O)N3CCCC3)CC2)cnc1-c1nn[n-]n1	ZINC001571293501	946109504	/nfs/dbraw/zinc/10/95/04/946109504.db2.gz	JXOOYZPUZCZBGH-UHFFFAOYSA-N	-1	1	389.445	-0.077	20	30		GBEDMM
N#Cc1nc(N2CCC(S(=O)(=O)N3CCCC3)CC2)cnc1-c1nnn[n-]1	ZINC001571293501	946109495	/nfs/dbraw/zinc/10/94/95/946109495.db2.gz	JXOOYZPUZCZBGH-UHFFFAOYSA-N	-1	1	389.445	-0.077	20	30		GBEDMM
N#Cc1ncc(N2CCC(S(=O)(=O)N3CCCC3)CC2)nc1-c1nn[n-]n1	ZINC001571293824	946117810	/nfs/dbraw/zinc/11/78/10/946117810.db2.gz	SRTLIHMSXQHYSS-UHFFFAOYSA-N	-1	1	389.445	-0.077	20	30		GBEDMM
C#CCN(C(=O)CNC(C)=O)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573282939	946703080	/nfs/dbraw/zinc/70/30/80/946703080.db2.gz	NUKJFLKFDVXEFO-UHFFFAOYSA-N	-1	1	383.416	-0.777	20	30		GBEDMM
C#CCN(C(=O)c1cn[nH]n1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573283270	946712721	/nfs/dbraw/zinc/71/27/21/946712721.db2.gz	QROWPAKBFWTXPW-UHFFFAOYSA-N	-1	1	379.388	-0.481	20	30		GBEDMM
C#CCCOc1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1	ZINC001573283412	946715000	/nfs/dbraw/zinc/71/50/00/946715000.db2.gz	SUIZKZFDVHBXDK-UHFFFAOYSA-N	-1	1	395.379	-0.039	20	30		GBEDMM
C#CCN(C(=O)Cn1cccn1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1	ZINC001573283474	946717173	/nfs/dbraw/zinc/71/71/73/946717173.db2.gz	SIIQOLOYPZKLFW-UHFFFAOYSA-N	-1	1	392.427	-0.016	20	30		GBEDMM
C#CCN(C(=O)Cn1cccn1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1	ZINC001573283474	946717155	/nfs/dbraw/zinc/71/71/55/946717155.db2.gz	SIIQOLOYPZKLFW-UHFFFAOYSA-N	-1	1	392.427	-0.016	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1	ZINC001573285351	946776351	/nfs/dbraw/zinc/77/63/51/946776351.db2.gz	GVWBFKPASFACOY-CHWSQXEVSA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1	ZINC001573285351	946776341	/nfs/dbraw/zinc/77/63/41/946776341.db2.gz	GVWBFKPASFACOY-CHWSQXEVSA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1	ZINC001573285355	946775131	/nfs/dbraw/zinc/77/51/31/946775131.db2.gz	GVWBFKPASFACOY-OLZOCXBDSA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1	ZINC001573285355	946775116	/nfs/dbraw/zinc/77/51/16/946775116.db2.gz	GVWBFKPASFACOY-OLZOCXBDSA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1	ZINC001573285357	946775013	/nfs/dbraw/zinc/77/50/13/946775013.db2.gz	GVWBFKPASFACOY-QWHCGFSZSA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1	ZINC001573285357	946774997	/nfs/dbraw/zinc/77/49/97/946774997.db2.gz	GVWBFKPASFACOY-QWHCGFSZSA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1	ZINC001573285360	946775039	/nfs/dbraw/zinc/77/50/39/946775039.db2.gz	GVWBFKPASFACOY-STQMWFEESA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1	ZINC001573285360	946775033	/nfs/dbraw/zinc/77/50/33/946775033.db2.gz	GVWBFKPASFACOY-STQMWFEESA-N	-1	1	386.416	-0.357	20	30		GBEDMM
C#CCNC(=O)c1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573285507	946780228	/nfs/dbraw/zinc/78/02/28/946780228.db2.gz	IMNPKHDUTOVITC-UHFFFAOYSA-N	-1	1	394.351	-0.869	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1	ZINC001573286050	946794978	/nfs/dbraw/zinc/79/49/78/946794978.db2.gz	SLHFGZQDCQAIBN-JCGVRSQUSA-N	-1	1	382.428	-0.020	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1	ZINC001573286050	946794969	/nfs/dbraw/zinc/79/49/69/946794969.db2.gz	SLHFGZQDCQAIBN-JCGVRSQUSA-N	-1	1	382.428	-0.020	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1	ZINC001573286051	946794602	/nfs/dbraw/zinc/79/46/02/946794602.db2.gz	SLHFGZQDCQAIBN-VFVRVIDISA-N	-1	1	382.428	-0.020	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1	ZINC001573286051	946794595	/nfs/dbraw/zinc/79/45/95/946794595.db2.gz	SLHFGZQDCQAIBN-VFVRVIDISA-N	-1	1	382.428	-0.020	20	30		GBEDMM
C#CCNS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC001573286268	946800267	/nfs/dbraw/zinc/80/02/67/946800267.db2.gz	XUYXUBHYCWFMDD-UHFFFAOYSA-N	-1	1	392.401	-0.636	20	30		GBEDMM
C#CCNS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC001573286268	946800254	/nfs/dbraw/zinc/80/02/54/946800254.db2.gz	XUYXUBHYCWFMDD-UHFFFAOYSA-N	-1	1	392.401	-0.636	20	30		GBEDMM
C#CCOCCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1	ZINC001573286430	946807108	/nfs/dbraw/zinc/80/71/08/946807108.db2.gz	BQCSNDWVJOSDBT-ACJLOTCBSA-N	-1	1	382.428	-0.019	20	30		GBEDMM
C#CCOCCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1	ZINC001573286430	946807098	/nfs/dbraw/zinc/80/70/98/946807098.db2.gz	BQCSNDWVJOSDBT-ACJLOTCBSA-N	-1	1	382.428	-0.019	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O	ZINC001573286439	946805910	/nfs/dbraw/zinc/80/59/10/946805910.db2.gz	BTCQZVNVUVDGIC-HLTSFMKQSA-N	-1	1	397.848	-0.319	20	30		GBEDMM
C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O	ZINC001573286439	946805903	/nfs/dbraw/zinc/80/59/03/946805903.db2.gz	BTCQZVNVUVDGIC-HLTSFMKQSA-N	-1	1	397.848	-0.319	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O	ZINC001573286440	946806680	/nfs/dbraw/zinc/80/66/80/946806680.db2.gz	BTCQZVNVUVDGIC-YIZRAAEISA-N	-1	1	397.848	-0.319	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O	ZINC001573286440	946806671	/nfs/dbraw/zinc/80/66/71/946806671.db2.gz	BTCQZVNVUVDGIC-YIZRAAEISA-N	-1	1	397.848	-0.319	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1	ZINC001573286546	946812093	/nfs/dbraw/zinc/81/20/93/946812093.db2.gz	DSGZAEWTWCOBTJ-CHWSQXEVSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1	ZINC001573286546	946812081	/nfs/dbraw/zinc/81/20/81/946812081.db2.gz	DSGZAEWTWCOBTJ-CHWSQXEVSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1	ZINC001573286547	946811436	/nfs/dbraw/zinc/81/14/36/946811436.db2.gz	DSGZAEWTWCOBTJ-OLZOCXBDSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1	ZINC001573286547	946811426	/nfs/dbraw/zinc/81/14/26/946811426.db2.gz	DSGZAEWTWCOBTJ-OLZOCXBDSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1	ZINC001573286548	946812487	/nfs/dbraw/zinc/81/24/87/946812487.db2.gz	DSGZAEWTWCOBTJ-QWHCGFSZSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1	ZINC001573286548	946812476	/nfs/dbraw/zinc/81/24/76/946812476.db2.gz	DSGZAEWTWCOBTJ-QWHCGFSZSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1	ZINC001573286549	946813049	/nfs/dbraw/zinc/81/30/49/946813049.db2.gz	DSGZAEWTWCOBTJ-STQMWFEESA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1	ZINC001573286549	946813042	/nfs/dbraw/zinc/81/30/42/946813042.db2.gz	DSGZAEWTWCOBTJ-STQMWFEESA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O	ZINC001573286609	946814082	/nfs/dbraw/zinc/81/40/82/946814082.db2.gz	GEHHQUBQKJBVTI-NEPJUHHUSA-N	-1	1	391.457	-0.273	20	30		GBEDMM
C#CCOCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O	ZINC001573286610	946815564	/nfs/dbraw/zinc/81/55/64/946815564.db2.gz	GEHHQUBQKJBVTI-NWDGAFQWSA-N	-1	1	391.457	-0.273	20	30		GBEDMM
C#CCOCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O	ZINC001573286611	946815202	/nfs/dbraw/zinc/81/52/02/946815202.db2.gz	GEHHQUBQKJBVTI-RYUDHWBXSA-N	-1	1	391.457	-0.273	20	30		GBEDMM
C#CCOCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O	ZINC001573286612	946815132	/nfs/dbraw/zinc/81/51/32/946815132.db2.gz	GEHHQUBQKJBVTI-VXGBXAGGSA-N	-1	1	391.457	-0.273	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)cn1	ZINC001573286968	946823021	/nfs/dbraw/zinc/82/30/21/946823021.db2.gz	DFFOSYGBWDLVAV-AWEZNQCLSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)cn1	ZINC001573286976	946822804	/nfs/dbraw/zinc/82/28/04/946822804.db2.gz	DFFOSYGBWDLVAV-CQSZACIVSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1	ZINC001573287028	946826534	/nfs/dbraw/zinc/82/65/34/946826534.db2.gz	KPLLZLSDFIZNMQ-GFCCVEGCSA-N	-1	1	386.416	-0.228	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1	ZINC001573287028	946826524	/nfs/dbraw/zinc/82/65/24/946826524.db2.gz	KPLLZLSDFIZNMQ-GFCCVEGCSA-N	-1	1	386.416	-0.228	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1	ZINC001573287029	946826336	/nfs/dbraw/zinc/82/63/36/946826336.db2.gz	KPLLZLSDFIZNMQ-LBPRGKRZSA-N	-1	1	386.416	-0.228	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1	ZINC001573287029	946826326	/nfs/dbraw/zinc/82/63/26/946826326.db2.gz	KPLLZLSDFIZNMQ-LBPRGKRZSA-N	-1	1	386.416	-0.228	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1	ZINC001573287074	946825841	/nfs/dbraw/zinc/82/58/41/946825841.db2.gz	LOCNMJBMFDARAT-MRVPVSSYSA-N	-1	1	385.837	-0.095	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001573287074	946825836	/nfs/dbraw/zinc/82/58/36/946825836.db2.gz	LOCNMJBMFDARAT-MRVPVSSYSA-N	-1	1	385.837	-0.095	20	30		GBEDMM
C#CCOCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1	ZINC001573287077	946825564	/nfs/dbraw/zinc/82/55/64/946825564.db2.gz	LOCNMJBMFDARAT-QMMMGPOBSA-N	-1	1	385.837	-0.095	20	30		GBEDMM
C#CCOCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1	ZINC001573287077	946825550	/nfs/dbraw/zinc/82/55/50/946825550.db2.gz	LOCNMJBMFDARAT-QMMMGPOBSA-N	-1	1	385.837	-0.095	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573287146	946829785	/nfs/dbraw/zinc/82/97/85/946829785.db2.gz	LYVSZZSFDHVBHZ-PXAZEXFGSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573287146	946829776	/nfs/dbraw/zinc/82/97/76/946829776.db2.gz	LYVSZZSFDHVBHZ-PXAZEXFGSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573287148	946830227	/nfs/dbraw/zinc/83/02/27/946830227.db2.gz	LYVSZZSFDHVBHZ-SJCJKPOMSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573287148	946830210	/nfs/dbraw/zinc/83/02/10/946830210.db2.gz	LYVSZZSFDHVBHZ-SJCJKPOMSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573287150	946829945	/nfs/dbraw/zinc/82/99/45/946829945.db2.gz	LYVSZZSFDHVBHZ-SJKOYZFVSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573287150	946829932	/nfs/dbraw/zinc/82/99/32/946829932.db2.gz	LYVSZZSFDHVBHZ-SJKOYZFVSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573287152	946828622	/nfs/dbraw/zinc/82/86/22/946828622.db2.gz	LYVSZZSFDHVBHZ-YVEFUNNKSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573287152	946828612	/nfs/dbraw/zinc/82/86/12/946828612.db2.gz	LYVSZZSFDHVBHZ-YVEFUNNKSA-N	-1	1	386.416	-0.594	20	30		GBEDMM
C#CCn1ccc(CN(CC)C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1	ZINC001573287382	946834874	/nfs/dbraw/zinc/83/48/74/946834874.db2.gz	BQLKJPOEJFXVCF-UHFFFAOYSA-N	-1	1	383.372	-0.993	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)nc1	ZINC001573287519	946837398	/nfs/dbraw/zinc/83/73/98/946837398.db2.gz	JGWUFDDTSIATBW-GXTWGEPZSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)nc1	ZINC001573287519	946837387	/nfs/dbraw/zinc/83/73/87/946837387.db2.gz	JGWUFDDTSIATBW-GXTWGEPZSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)nc1	ZINC001573287520	946838272	/nfs/dbraw/zinc/83/82/72/946838272.db2.gz	JGWUFDDTSIATBW-JSGCOSHPSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)nc1	ZINC001573287520	946838265	/nfs/dbraw/zinc/83/82/65/946838265.db2.gz	JGWUFDDTSIATBW-JSGCOSHPSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)nc1	ZINC001573287521	946837552	/nfs/dbraw/zinc/83/75/52/946837552.db2.gz	JGWUFDDTSIATBW-OCCSQVGLSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)nc1	ZINC001573287521	946837540	/nfs/dbraw/zinc/83/75/40/946837540.db2.gz	JGWUFDDTSIATBW-OCCSQVGLSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)nc1	ZINC001573287522	946840554	/nfs/dbraw/zinc/84/05/54/946840554.db2.gz	JGWUFDDTSIATBW-TZMCWYRMSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)nc1	ZINC001573287522	946840545	/nfs/dbraw/zinc/84/05/45/946840545.db2.gz	JGWUFDDTSIATBW-TZMCWYRMSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573287919	946850285	/nfs/dbraw/zinc/85/02/85/946850285.db2.gz	QJLWZRYMVBWGFO-GFCCVEGCSA-N	-1	1	386.416	-0.858	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573287919	946850275	/nfs/dbraw/zinc/85/02/75/946850275.db2.gz	QJLWZRYMVBWGFO-GFCCVEGCSA-N	-1	1	386.416	-0.858	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573287923	946849114	/nfs/dbraw/zinc/84/91/14/946849114.db2.gz	QJLWZRYMVBWGFO-LBPRGKRZSA-N	-1	1	386.416	-0.858	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573287923	946849100	/nfs/dbraw/zinc/84/91/00/946849100.db2.gz	QJLWZRYMVBWGFO-LBPRGKRZSA-N	-1	1	386.416	-0.858	20	30		GBEDMM
C#CCOCCC(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573288048	946855391	/nfs/dbraw/zinc/85/53/91/946855391.db2.gz	RYHRXYGARVQEAR-UHFFFAOYSA-N	-1	1	386.416	-0.856	20	30		GBEDMM
C#CCOCCC(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1	ZINC001573288048	946855382	/nfs/dbraw/zinc/85/53/82/946855382.db2.gz	RYHRXYGARVQEAR-UHFFFAOYSA-N	-1	1	386.416	-0.856	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)nc1	ZINC001573288062	946854781	/nfs/dbraw/zinc/85/47/81/946854781.db2.gz	MKIJSWRKHSKJJL-CYBMUJFWSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)nc1	ZINC001573288062	946854769	/nfs/dbraw/zinc/85/47/69/946854769.db2.gz	MKIJSWRKHSKJJL-CYBMUJFWSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)nc1	ZINC001573288063	946855287	/nfs/dbraw/zinc/85/52/87/946855287.db2.gz	MKIJSWRKHSKJJL-ZDUSSCGKSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)nc1	ZINC001573288063	946855278	/nfs/dbraw/zinc/85/52/78/946855278.db2.gz	MKIJSWRKHSKJJL-ZDUSSCGKSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#CCOCCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1	ZINC001573288305	946863800	/nfs/dbraw/zinc/86/38/00/946863800.db2.gz	UGDRYAIGJDLMFI-UHFFFAOYSA-N	-1	1	386.416	-0.226	20	30		GBEDMM
C#CCOCCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1	ZINC001573288305	946863785	/nfs/dbraw/zinc/86/37/85/946863785.db2.gz	UGDRYAIGJDLMFI-UHFFFAOYSA-N	-1	1	386.416	-0.226	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573288331	946864035	/nfs/dbraw/zinc/86/40/35/946864035.db2.gz	UMNMJPHTNITLSG-KRWDZBQOSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573288331	946864029	/nfs/dbraw/zinc/86/40/29/946864029.db2.gz	UMNMJPHTNITLSG-KRWDZBQOSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1	ZINC001573288334	946864386	/nfs/dbraw/zinc/86/43/86/946864386.db2.gz	UMNMJPHTNITLSG-QGZVFWFLSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1	ZINC001573288334	946864370	/nfs/dbraw/zinc/86/43/70/946864370.db2.gz	UMNMJPHTNITLSG-QGZVFWFLSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1	ZINC001573288402	946865488	/nfs/dbraw/zinc/86/54/88/946865488.db2.gz	KNJJUEJCGSKRGT-KRWDZBQOSA-N	-1	1	386.416	-0.938	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1	ZINC001573288402	946865476	/nfs/dbraw/zinc/86/54/76/946865476.db2.gz	KNJJUEJCGSKRGT-KRWDZBQOSA-N	-1	1	386.416	-0.938	20	30		GBEDMM
C#CCOCCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1	ZINC001573288404	946865307	/nfs/dbraw/zinc/86/53/07/946865307.db2.gz	KNJJUEJCGSKRGT-QGZVFWFLSA-N	-1	1	386.416	-0.938	20	30		GBEDMM
C#CCOCCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1	ZINC001573288404	946865293	/nfs/dbraw/zinc/86/52/93/946865293.db2.gz	KNJJUEJCGSKRGT-QGZVFWFLSA-N	-1	1	386.416	-0.938	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[n-]n3)n2)cn1	ZINC001573288423	946865004	/nfs/dbraw/zinc/86/50/04/946865004.db2.gz	QEPXKAWABYWATA-CYBMUJFWSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nnn[n-]3)n2)cn1	ZINC001573288423	946864997	/nfs/dbraw/zinc/86/49/97/946864997.db2.gz	QEPXKAWABYWATA-CYBMUJFWSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[n-]n3)n2)cn1	ZINC001573288425	946862978	/nfs/dbraw/zinc/86/29/78/946862978.db2.gz	QEPXKAWABYWATA-ZDUSSCGKSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nnn[n-]3)n2)cn1	ZINC001573288425	946862967	/nfs/dbraw/zinc/86/29/67/946862967.db2.gz	QEPXKAWABYWATA-ZDUSSCGKSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573288581	946870404	/nfs/dbraw/zinc/87/04/04/946870404.db2.gz	WHLHEBSIUWLKTE-CHWSQXEVSA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573288581	946870390	/nfs/dbraw/zinc/87/03/90/946870390.db2.gz	WHLHEBSIUWLKTE-CHWSQXEVSA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573288599	946869596	/nfs/dbraw/zinc/86/95/96/946869596.db2.gz	WHLHEBSIUWLKTE-OLZOCXBDSA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573288599	946869584	/nfs/dbraw/zinc/86/95/84/946869584.db2.gz	WHLHEBSIUWLKTE-OLZOCXBDSA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573288600	946869928	/nfs/dbraw/zinc/86/99/28/946869928.db2.gz	WHLHEBSIUWLKTE-QWHCGFSZSA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573288600	946869916	/nfs/dbraw/zinc/86/99/16/946869916.db2.gz	WHLHEBSIUWLKTE-QWHCGFSZSA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1	ZINC001573288601	946869999	/nfs/dbraw/zinc/86/99/99/946869999.db2.gz	WHLHEBSIUWLKTE-STQMWFEESA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#CCOCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1	ZINC001573288601	946869987	/nfs/dbraw/zinc/86/99/87/946869987.db2.gz	WHLHEBSIUWLKTE-STQMWFEESA-N	-1	1	386.416	-0.276	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)cn1	ZINC001573288776	946876528	/nfs/dbraw/zinc/87/65/28/946876528.db2.gz	TZNBVQSKGXYWSZ-AWEZNQCLSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)cn1	ZINC001573288776	946876519	/nfs/dbraw/zinc/87/65/19/946876519.db2.gz	TZNBVQSKGXYWSZ-AWEZNQCLSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)cn1	ZINC001573288779	946877756	/nfs/dbraw/zinc/87/77/56/946877756.db2.gz	TZNBVQSKGXYWSZ-CQSZACIVSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)cn1	ZINC001573288779	946877748	/nfs/dbraw/zinc/87/77/48/946877748.db2.gz	TZNBVQSKGXYWSZ-CQSZACIVSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nc1	ZINC001573288956	946879089	/nfs/dbraw/zinc/87/90/89/946879089.db2.gz	VXPWCFJYVCJNCH-GOSISDBHSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nc1	ZINC001573288956	946879081	/nfs/dbraw/zinc/87/90/81/946879081.db2.gz	VXPWCFJYVCJNCH-GOSISDBHSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nc1	ZINC001573288962	946878392	/nfs/dbraw/zinc/87/83/92/946878392.db2.gz	VXPWCFJYVCJNCH-SFHVURJKSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nc1	ZINC001573288962	946878380	/nfs/dbraw/zinc/87/83/80/946878380.db2.gz	VXPWCFJYVCJNCH-SFHVURJKSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#CCO[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2	ZINC001573289010	946883044	/nfs/dbraw/zinc/88/30/44/946883044.db2.gz	ZTFNRSJARDKPDL-AZTHMUBRSA-N	-1	1	382.428	-0.044	20	30		GBEDMM
C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2	ZINC001573289015	946882149	/nfs/dbraw/zinc/88/21/49/946882149.db2.gz	ZTFNRSJARDKPDL-CKNZGFSTSA-N	-1	1	382.428	-0.044	20	30		GBEDMM
C#Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)nc1	ZINC001573289518	946885840	/nfs/dbraw/zinc/88/58/40/946885840.db2.gz	ZURHPWCXQOCFDB-CYBMUJFWSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)nc1	ZINC001573289518	946885836	/nfs/dbraw/zinc/88/58/36/946885836.db2.gz	ZURHPWCXQOCFDB-CYBMUJFWSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)nc1	ZINC001573289520	946884798	/nfs/dbraw/zinc/88/47/98/946884798.db2.gz	ZURHPWCXQOCFDB-ZDUSSCGKSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)nc1	ZINC001573289520	946884787	/nfs/dbraw/zinc/88/47/87/946884787.db2.gz	ZURHPWCXQOCFDB-ZDUSSCGKSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1	ZINC001573289603	946888490	/nfs/dbraw/zinc/88/84/90/946888490.db2.gz	OIHZTPLRGPRCHJ-CYBMUJFWSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1	ZINC001573289603	946888467	/nfs/dbraw/zinc/88/84/67/946888467.db2.gz	OIHZTPLRGPRCHJ-CYBMUJFWSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1	ZINC001573289605	946888252	/nfs/dbraw/zinc/88/82/52/946888252.db2.gz	OIHZTPLRGPRCHJ-ZDUSSCGKSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#CCOCCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1	ZINC001573289605	946888231	/nfs/dbraw/zinc/88/82/31/946888231.db2.gz	OIHZTPLRGPRCHJ-ZDUSSCGKSA-N	-1	1	386.416	-0.592	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cc1	ZINC001573289667	946889402	/nfs/dbraw/zinc/88/94/02/946889402.db2.gz	AVOBBWVISSQUHK-HUUCEWRRSA-N	-1	1	376.380	-0.383	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cc1	ZINC001573289667	946889381	/nfs/dbraw/zinc/88/93/81/946889381.db2.gz	AVOBBWVISSQUHK-HUUCEWRRSA-N	-1	1	376.380	-0.383	20	30		GBEDMM
C#Cc1ccccc1CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573289810	946893612	/nfs/dbraw/zinc/89/36/12/946893612.db2.gz	DGOSJQVLKDUAKN-AWEZNQCLSA-N	-1	1	378.396	-0.230	20	30		GBEDMM
C#Cc1ccccc1CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573289810	946893602	/nfs/dbraw/zinc/89/36/02/946893602.db2.gz	DGOSJQVLKDUAKN-AWEZNQCLSA-N	-1	1	378.396	-0.230	20	30		GBEDMM
C#Cc1ccccc1CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1	ZINC001573289814	946891363	/nfs/dbraw/zinc/89/13/63/946891363.db2.gz	DGOSJQVLKDUAKN-CQSZACIVSA-N	-1	1	378.396	-0.230	20	30		GBEDMM
C#Cc1ccccc1CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1	ZINC001573289814	946891351	/nfs/dbraw/zinc/89/13/51/946891351.db2.gz	DGOSJQVLKDUAKN-CQSZACIVSA-N	-1	1	378.396	-0.230	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cc1	ZINC001573290282	946900453	/nfs/dbraw/zinc/90/04/53/946900453.db2.gz	ISKXKXHXSSDTHQ-CABCVRRESA-N	-1	1	376.380	-0.383	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cc1	ZINC001573290282	946900447	/nfs/dbraw/zinc/90/04/47/946900447.db2.gz	ISKXKXHXSSDTHQ-CABCVRRESA-N	-1	1	376.380	-0.383	20	30		GBEDMM
C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1	ZINC001573290587	946907750	/nfs/dbraw/zinc/90/77/50/946907750.db2.gz	ZYDHAMCAWXQRGJ-AWEZNQCLSA-N	-1	1	378.396	-0.395	20	30		GBEDMM
C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1	ZINC001573290588	946908433	/nfs/dbraw/zinc/90/84/33/946908433.db2.gz	ZYDHAMCAWXQRGJ-CQSZACIVSA-N	-1	1	378.396	-0.395	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)cc1	ZINC001573290596	946908482	/nfs/dbraw/zinc/90/84/82/946908482.db2.gz	MIPMAFIDTBECOJ-HZPDHXFCSA-N	-1	1	390.407	-0.074	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)cc1	ZINC001573290596	946908472	/nfs/dbraw/zinc/90/84/72/946908472.db2.gz	MIPMAFIDTBECOJ-HZPDHXFCSA-N	-1	1	390.407	-0.074	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)nc1	ZINC001573290692	946909931	/nfs/dbraw/zinc/90/99/31/946909931.db2.gz	OEDOCOQGYIHILN-OLZOCXBDSA-N	-1	1	396.436	-0.013	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2OC)nc1	ZINC001573291151	946914453	/nfs/dbraw/zinc/91/44/53/946914453.db2.gz	XNQNHEQQUBBGKS-HUUCEWRRSA-N	-1	1	391.395	-0.333	20	30		GBEDMM
C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2OC)nc1	ZINC001573291151	946914448	/nfs/dbraw/zinc/91/44/48/946914448.db2.gz	XNQNHEQQUBBGKS-HUUCEWRRSA-N	-1	1	391.395	-0.333	20	30		GBEDMM
C=C(Br)CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573291267	946917221	/nfs/dbraw/zinc/91/72/21/946917221.db2.gz	AQKLSVIDSSYVCB-UHFFFAOYSA-N	-1	1	385.182	-0.663	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1	ZINC001573291454	946920673	/nfs/dbraw/zinc/92/06/73/946920673.db2.gz	DKMWVAIHVBDQDP-GOSISDBHSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1	ZINC001573291454	946920662	/nfs/dbraw/zinc/92/06/62/946920662.db2.gz	DKMWVAIHVBDQDP-GOSISDBHSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1	ZINC001573291455	946920593	/nfs/dbraw/zinc/92/05/93/946920593.db2.gz	DKMWVAIHVBDQDP-SFHVURJKSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1	ZINC001573291455	946920584	/nfs/dbraw/zinc/92/05/84/946920584.db2.gz	DKMWVAIHVBDQDP-SFHVURJKSA-N	-1	1	391.395	-0.596	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1	ZINC001573291586	946922626	/nfs/dbraw/zinc/92/26/26/946922626.db2.gz	GCTHLRJRTWXMDZ-CYBMUJFWSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1	ZINC001573291586	946922619	/nfs/dbraw/zinc/92/26/19/946922619.db2.gz	GCTHLRJRTWXMDZ-CYBMUJFWSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1	ZINC001573291589	946922316	/nfs/dbraw/zinc/92/23/16/946922316.db2.gz	GCTHLRJRTWXMDZ-ZDUSSCGKSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1	ZINC001573291589	946922307	/nfs/dbraw/zinc/92/23/07/946922307.db2.gz	GCTHLRJRTWXMDZ-ZDUSSCGKSA-N	-1	1	379.384	-0.456	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)c1	ZINC001573291839	946924817	/nfs/dbraw/zinc/92/48/17/946924817.db2.gz	KJNRPEJWLGBZEI-AWEZNQCLSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)c1	ZINC001573291839	946924810	/nfs/dbraw/zinc/92/48/10/946924810.db2.gz	KJNRPEJWLGBZEI-AWEZNQCLSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)c1	ZINC001573291840	946923738	/nfs/dbraw/zinc/92/37/38/946923738.db2.gz	KJNRPEJWLGBZEI-CQSZACIVSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1cncc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)c1	ZINC001573291840	946923729	/nfs/dbraw/zinc/92/37/29/946923729.db2.gz	KJNRPEJWLGBZEI-CQSZACIVSA-N	-1	1	391.395	-0.332	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c1	ZINC001573291848	946924561	/nfs/dbraw/zinc/92/45/61/946924561.db2.gz	KRHYLRMLWZVOOV-CHWSQXEVSA-N	-1	1	377.368	-0.988	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c1	ZINC001573291848	946924551	/nfs/dbraw/zinc/92/45/51/946924551.db2.gz	KRHYLRMLWZVOOV-CHWSQXEVSA-N	-1	1	377.368	-0.988	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)c1	ZINC001573292506	946936405	/nfs/dbraw/zinc/93/64/05/946936405.db2.gz	WRFXBLNTNGJJSM-KGLIPLIRSA-N	-1	1	377.368	-0.988	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)c1	ZINC001573292506	946936398	/nfs/dbraw/zinc/93/63/98/946936398.db2.gz	WRFXBLNTNGJJSM-KGLIPLIRSA-N	-1	1	377.368	-0.988	20	30		GBEDMM
C#Cc1cncc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1	ZINC001573292701	946938541	/nfs/dbraw/zinc/93/85/41/946938541.db2.gz	ZVMGDSCMJBBELA-AWEZNQCLSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1cncc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1	ZINC001573292701	946938533	/nfs/dbraw/zinc/93/85/33/946938533.db2.gz	ZVMGDSCMJBBELA-AWEZNQCLSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1cncc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1	ZINC001573292702	946938463	/nfs/dbraw/zinc/93/84/63/946938463.db2.gz	ZVMGDSCMJBBELA-CQSZACIVSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1cncc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1	ZINC001573292702	946938453	/nfs/dbraw/zinc/93/84/53/946938453.db2.gz	ZVMGDSCMJBBELA-CQSZACIVSA-N	-1	1	391.395	-0.014	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)c1	ZINC001573292703	946938086	/nfs/dbraw/zinc/93/80/86/946938086.db2.gz	ZYWXRXGHOREHFX-KBPBESRZSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)c1	ZINC001573292704	946937990	/nfs/dbraw/zinc/93/79/90/946937990.db2.gz	ZYWXRXGHOREHFX-KGLIPLIRSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1	ZINC001573292705	946938191	/nfs/dbraw/zinc/93/81/91/946938191.db2.gz	ZYWXRXGHOREHFX-UONOGXRCSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1	ZINC001573292706	946938100	/nfs/dbraw/zinc/93/81/00/946938100.db2.gz	ZYWXRXGHOREHFX-ZIAGYGMSSA-N	-1	1	391.395	-0.597	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573294750	946998128	/nfs/dbraw/zinc/99/81/28/946998128.db2.gz	KQAQVJHQZIEOLT-HUBLWGQQSA-N	-1	1	388.432	-0.131	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573294750	946998124	/nfs/dbraw/zinc/99/81/24/946998124.db2.gz	KQAQVJHQZIEOLT-HUBLWGQQSA-N	-1	1	388.432	-0.131	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1	ZINC001573294753	946996652	/nfs/dbraw/zinc/99/66/52/946996652.db2.gz	KQAQVJHQZIEOLT-XUJVJEKNSA-N	-1	1	388.432	-0.131	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1	ZINC001573294753	946996642	/nfs/dbraw/zinc/99/66/42/946996642.db2.gz	KQAQVJHQZIEOLT-XUJVJEKNSA-N	-1	1	388.432	-0.131	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O	ZINC001573294898	947002369	/nfs/dbraw/zinc/00/23/69/947002369.db2.gz	LYKYXPRDODUICY-QJZXMWHDSA-N	-1	1	386.416	-0.696	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O	ZINC001573294898	947002365	/nfs/dbraw/zinc/00/23/65/947002365.db2.gz	LYKYXPRDODUICY-QJZXMWHDSA-N	-1	1	386.416	-0.696	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O	ZINC001573295748	947028273	/nfs/dbraw/zinc/02/82/73/947028273.db2.gz	UCYNCFNBKJEZGF-OPDFLTKYSA-N	-1	1	386.416	-0.696	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O	ZINC001573295748	947028258	/nfs/dbraw/zinc/02/82/58/947028258.db2.gz	UCYNCFNBKJEZGF-OPDFLTKYSA-N	-1	1	386.416	-0.696	20	30		GBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573299986	947102057	/nfs/dbraw/zinc/10/20/57/947102057.db2.gz	MRWMPXSLKJHWFM-AAEUAGOBSA-N	-1	1	387.448	-0.144	20	30		GBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573299987	947102144	/nfs/dbraw/zinc/10/21/44/947102144.db2.gz	MRWMPXSLKJHWFM-DGCLKSJQSA-N	-1	1	387.448	-0.144	20	30		GBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573299989	947101854	/nfs/dbraw/zinc/10/18/54/947101854.db2.gz	MRWMPXSLKJHWFM-WCQYABFASA-N	-1	1	387.448	-0.144	20	30		GBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1	ZINC001573299992	947102775	/nfs/dbraw/zinc/10/27/75/947102775.db2.gz	MRWMPXSLKJHWFM-YPMHNXCESA-N	-1	1	387.448	-0.144	20	30		GBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573300766	947118968	/nfs/dbraw/zinc/11/89/68/947118968.db2.gz	UIGLSAXDVQTKQH-CYBMUJFWSA-N	-1	1	385.432	-0.224	20	30		GBEDMM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573300766	947118962	/nfs/dbraw/zinc/11/89/62/947118962.db2.gz	UIGLSAXDVQTKQH-CYBMUJFWSA-N	-1	1	385.432	-0.224	20	30		GBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1	ZINC001573300769	947120231	/nfs/dbraw/zinc/12/02/31/947120231.db2.gz	UIGLSAXDVQTKQH-ZDUSSCGKSA-N	-1	1	385.432	-0.224	20	30		GBEDMM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1	ZINC001573300769	947120220	/nfs/dbraw/zinc/12/02/20/947120220.db2.gz	UIGLSAXDVQTKQH-ZDUSSCGKSA-N	-1	1	385.432	-0.224	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573300892	947124815	/nfs/dbraw/zinc/12/48/15/947124815.db2.gz	WIEZCMIODQCFLO-GWCFXTLKSA-N	-1	1	375.389	-0.384	20	30		GBEDMM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573300895	947123537	/nfs/dbraw/zinc/12/35/37/947123537.db2.gz	WIEZCMIODQCFLO-GXFFZTMASA-N	-1	1	375.389	-0.384	20	30		GBEDMM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573300897	947124696	/nfs/dbraw/zinc/12/46/96/947124696.db2.gz	WIEZCMIODQCFLO-MFKMUULPSA-N	-1	1	375.389	-0.384	20	30		GBEDMM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O	ZINC001573300899	947124198	/nfs/dbraw/zinc/12/41/98/947124198.db2.gz	WIEZCMIODQCFLO-ZWNOBZJWSA-N	-1	1	375.389	-0.384	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573309247	947194402	/nfs/dbraw/zinc/19/44/02/947194402.db2.gz	FVAURELHMZYREF-KRWDZBQOSA-N	-1	1	387.448	-0.778	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1	ZINC001573309248	947194513	/nfs/dbraw/zinc/19/45/13/947194513.db2.gz	FVAURELHMZYREF-QGZVFWFLSA-N	-1	1	387.448	-0.778	20	30		GBEDMM
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573309351	947196569	/nfs/dbraw/zinc/19/65/69/947196569.db2.gz	HIXQPZLKOQWJMG-PBFPGSCMSA-N	-1	1	388.432	-0.449	20	30		GBEDMM
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573309351	947196561	/nfs/dbraw/zinc/19/65/61/947196561.db2.gz	HIXQPZLKOQWJMG-PBFPGSCMSA-N	-1	1	388.432	-0.449	20	30		GBEDMM
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573309352	947195787	/nfs/dbraw/zinc/19/57/87/947195787.db2.gz	HIXQPZLKOQWJMG-XNJGSVPQSA-N	-1	1	388.432	-0.449	20	30		GBEDMM
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573309352	947195781	/nfs/dbraw/zinc/19/57/81/947195781.db2.gz	HIXQPZLKOQWJMG-XNJGSVPQSA-N	-1	1	388.432	-0.449	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309964	947213601	/nfs/dbraw/zinc/21/36/01/947213601.db2.gz	QIWJVIHXZIWZMM-PXAZEXFGSA-N	-1	1	388.432	-0.565	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309965	947213910	/nfs/dbraw/zinc/21/39/10/947213910.db2.gz	QIWJVIHXZIWZMM-SJCJKPOMSA-N	-1	1	388.432	-0.565	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309966	947213766	/nfs/dbraw/zinc/21/37/66/947213766.db2.gz	QIWJVIHXZIWZMM-SJKOYZFVSA-N	-1	1	388.432	-0.565	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573309967	947212941	/nfs/dbraw/zinc/21/29/41/947212941.db2.gz	QIWJVIHXZIWZMM-YVEFUNNKSA-N	-1	1	388.432	-0.565	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1	ZINC001573310188	947218085	/nfs/dbraw/zinc/21/80/85/947218085.db2.gz	UPDYCCPYTLRDOA-HWPZZCPQSA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1	ZINC001573310188	947218075	/nfs/dbraw/zinc/21/80/75/947218075.db2.gz	UPDYCCPYTLRDOA-HWPZZCPQSA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1	ZINC001573310189	947219297	/nfs/dbraw/zinc/21/92/97/947219297.db2.gz	UPDYCCPYTLRDOA-MGPLVRAMSA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1	ZINC001573310189	947219292	/nfs/dbraw/zinc/21/92/92/947219292.db2.gz	UPDYCCPYTLRDOA-MGPLVRAMSA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1	ZINC001573310190	947217865	/nfs/dbraw/zinc/21/78/65/947217865.db2.gz	UPDYCCPYTLRDOA-QFYYESIMSA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1	ZINC001573310190	947217857	/nfs/dbraw/zinc/21/78/57/947217857.db2.gz	UPDYCCPYTLRDOA-QFYYESIMSA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1	ZINC001573310191	947219269	/nfs/dbraw/zinc/21/92/69/947219269.db2.gz	UPDYCCPYTLRDOA-QLJPJBMISA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1	ZINC001573310191	947219262	/nfs/dbraw/zinc/21/92/62/947219262.db2.gz	UPDYCCPYTLRDOA-QLJPJBMISA-N	-1	1	376.421	-0.565	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573310274	947220649	/nfs/dbraw/zinc/22/06/49/947220649.db2.gz	VVFGEHQGPFOWFH-INIZCTEOSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573310274	947220643	/nfs/dbraw/zinc/22/06/43/947220643.db2.gz	VVFGEHQGPFOWFH-INIZCTEOSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001573310277	947220907	/nfs/dbraw/zinc/22/09/07/947220907.db2.gz	VVFGEHQGPFOWFH-MRXNPFEDSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001573310277	947220898	/nfs/dbraw/zinc/22/08/98/947220898.db2.gz	VVFGEHQGPFOWFH-MRXNPFEDSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573310380	947223156	/nfs/dbraw/zinc/22/31/56/947223156.db2.gz	XEXAFCDBVHYRGF-DLBZAZTESA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573310380	947223145	/nfs/dbraw/zinc/22/31/45/947223145.db2.gz	XEXAFCDBVHYRGF-DLBZAZTESA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573310381	947222924	/nfs/dbraw/zinc/22/29/24/947222924.db2.gz	XEXAFCDBVHYRGF-IAGOWNOFSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573310381	947222911	/nfs/dbraw/zinc/22/29/11/947222911.db2.gz	XEXAFCDBVHYRGF-IAGOWNOFSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573310382	947224665	/nfs/dbraw/zinc/22/46/65/947224665.db2.gz	XEXAFCDBVHYRGF-IRXDYDNUSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573310382	947224658	/nfs/dbraw/zinc/22/46/58/947224658.db2.gz	XEXAFCDBVHYRGF-IRXDYDNUSA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573310383	947224070	/nfs/dbraw/zinc/22/40/70/947224070.db2.gz	XEXAFCDBVHYRGF-SJORKVTESA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573310383	947224059	/nfs/dbraw/zinc/22/40/59/947224059.db2.gz	XEXAFCDBVHYRGF-SJORKVTESA-N	-1	1	388.432	-0.569	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1OC	ZINC001573310600	947225277	/nfs/dbraw/zinc/22/52/77/947225277.db2.gz	YHSLVNYADLKARM-PBFPGSCMSA-N	-1	1	388.432	-0.388	20	30		GBEDMM
C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1OC	ZINC001573310600	947225271	/nfs/dbraw/zinc/22/52/71/947225271.db2.gz	YHSLVNYADLKARM-PBFPGSCMSA-N	-1	1	388.432	-0.388	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1OC	ZINC001573310601	947222957	/nfs/dbraw/zinc/22/29/57/947222957.db2.gz	YHSLVNYADLKARM-XNJGSVPQSA-N	-1	1	388.432	-0.388	20	30		GBEDMM
C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1OC	ZINC001573310601	947222948	/nfs/dbraw/zinc/22/29/48/947222948.db2.gz	YHSLVNYADLKARM-XNJGSVPQSA-N	-1	1	388.432	-0.388	20	30		GBEDMM
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC001573311217	962695426	/nfs/dbraw/zinc/69/54/26/962695426.db2.gz	KAJNSMFOJPBHAC-CQSZACIVSA-N	-1	1	376.394	-0.253	20	30		GBEDMM
C=CCC1(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1	ZINC001573326101	947367805	/nfs/dbraw/zinc/36/78/05/947367805.db2.gz	KYAUNPGWBSBMSN-GFCCVEGCSA-N	-1	1	388.432	-0.660	20	30		GBEDMM
C=CCC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1	ZINC001573326102	947367341	/nfs/dbraw/zinc/36/73/41/947367341.db2.gz	KYAUNPGWBSBMSN-LBPRGKRZSA-N	-1	1	388.432	-0.660	20	30		GBEDMM
C=CCCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573335784	947489048	/nfs/dbraw/zinc/48/90/48/947489048.db2.gz	DNQZFXVGBSIRAZ-PXAZEXFGSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573335784	947489039	/nfs/dbraw/zinc/48/90/39/947489039.db2.gz	DNQZFXVGBSIRAZ-PXAZEXFGSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573335787	947490606	/nfs/dbraw/zinc/49/06/06/947490606.db2.gz	DNQZFXVGBSIRAZ-SJCJKPOMSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573335787	947490599	/nfs/dbraw/zinc/49/05/99/947490599.db2.gz	DNQZFXVGBSIRAZ-SJCJKPOMSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573335789	947490056	/nfs/dbraw/zinc/49/00/56/947490056.db2.gz	DNQZFXVGBSIRAZ-SJKOYZFVSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573335789	947490046	/nfs/dbraw/zinc/49/00/46/947490046.db2.gz	DNQZFXVGBSIRAZ-SJKOYZFVSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573335791	947490151	/nfs/dbraw/zinc/49/01/51/947490151.db2.gz	DNQZFXVGBSIRAZ-YVEFUNNKSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573335791	947490144	/nfs/dbraw/zinc/49/01/44/947490144.db2.gz	DNQZFXVGBSIRAZ-YVEFUNNKSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCCOCC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573336621	947508816	/nfs/dbraw/zinc/50/88/16/947508816.db2.gz	PRIGOMKRSHVLND-UHFFFAOYSA-N	-1	1	387.448	-0.512	20	30		GBEDMM
C=CCCOCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573337366	947516663	/nfs/dbraw/zinc/51/66/63/947516663.db2.gz	WOAZNGNMMBULEM-KRWDZBQOSA-N	-1	1	388.432	-0.303	20	30		GBEDMM
C=CCCOCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573337366	947516655	/nfs/dbraw/zinc/51/66/55/947516655.db2.gz	WOAZNGNMMBULEM-KRWDZBQOSA-N	-1	1	388.432	-0.303	20	30		GBEDMM
C=CCCOCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573337370	947516402	/nfs/dbraw/zinc/51/64/02/947516402.db2.gz	WOAZNGNMMBULEM-QGZVFWFLSA-N	-1	1	388.432	-0.303	20	30		GBEDMM
C=CCCOCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573337370	947516396	/nfs/dbraw/zinc/51/63/96/947516396.db2.gz	WOAZNGNMMBULEM-QGZVFWFLSA-N	-1	1	388.432	-0.303	20	30		GBEDMM
C=CCCn1cc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nn1	ZINC001573341145	947527668	/nfs/dbraw/zinc/52/76/68/947527668.db2.gz	IVJQUEWSMNXHLL-UHFFFAOYSA-N	-1	1	381.404	-0.213	20	30		GBEDMM
C=CCCn1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1	ZINC001573341277	947528004	/nfs/dbraw/zinc/52/80/04/947528004.db2.gz	KEMBOHGECYSUAJ-XYPYZODXSA-N	-1	1	381.404	-0.381	20	30		GBEDMM
C=CCCn1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nn1	ZINC001573341279	947527803	/nfs/dbraw/zinc/52/78/03/947527803.db2.gz	KGMQAWUTVUUPSG-NSHDSACASA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCCn1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nn1	ZINC001573341279	947527795	/nfs/dbraw/zinc/52/77/95/947527795.db2.gz	KGMQAWUTVUUPSG-NSHDSACASA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCCn1cc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)nn1	ZINC001573341724	947534024	/nfs/dbraw/zinc/53/40/24/947534024.db2.gz	PHQXCJXALBWKCD-LLVKDONJSA-N	-1	1	383.420	-0.133	20	30		GBEDMM
C=CCCn1cc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)nn1	ZINC001573341725	947532819	/nfs/dbraw/zinc/53/28/19/947532819.db2.gz	PHQXCJXALBWKCD-NSHDSACASA-N	-1	1	383.420	-0.133	20	30		GBEDMM
C=CCCn1cc(C(=O)N(CC)CCNc2ccnc(-c3nn[n-]n3)n2)nn1	ZINC001573342080	947539204	/nfs/dbraw/zinc/53/92/04/947539204.db2.gz	SSOIFICMTAKTOL-UHFFFAOYSA-N	-1	1	383.420	-0.180	20	30		GBEDMM
C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@@H]1O	ZINC001573342802	947548414	/nfs/dbraw/zinc/54/84/14/947548414.db2.gz	DWRKGMXOWAFJQX-AAEUAGOBSA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@@H]1O	ZINC001573342802	947548404	/nfs/dbraw/zinc/54/84/04/947548404.db2.gz	DWRKGMXOWAFJQX-AAEUAGOBSA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O	ZINC001573342803	947547810	/nfs/dbraw/zinc/54/78/10/947547810.db2.gz	DWRKGMXOWAFJQX-DGCLKSJQSA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O	ZINC001573342803	947547796	/nfs/dbraw/zinc/54/77/96/947547796.db2.gz	DWRKGMXOWAFJQX-DGCLKSJQSA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O	ZINC001573342804	947546336	/nfs/dbraw/zinc/54/63/36/947546336.db2.gz	DWRKGMXOWAFJQX-WCQYABFASA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O	ZINC001573342804	947546329	/nfs/dbraw/zinc/54/63/29/947546329.db2.gz	DWRKGMXOWAFJQX-WCQYABFASA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@@H]1O	ZINC001573342805	947547498	/nfs/dbraw/zinc/54/74/98/947547498.db2.gz	DWRKGMXOWAFJQX-YPMHNXCESA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@@H]1O	ZINC001573342805	947547492	/nfs/dbraw/zinc/54/74/92/947547492.db2.gz	DWRKGMXOWAFJQX-YPMHNXCESA-N	-1	1	388.432	-0.523	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O	ZINC001573343189	947551637	/nfs/dbraw/zinc/55/16/37/947551637.db2.gz	KQOIHNQLANNKGI-SFYZADRCSA-N	-1	1	385.837	-0.155	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O	ZINC001573343189	947551629	/nfs/dbraw/zinc/55/16/29/947551629.db2.gz	KQOIHNQLANNKGI-SFYZADRCSA-N	-1	1	385.837	-0.155	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O	ZINC001573343280	947555682	/nfs/dbraw/zinc/55/56/82/947555682.db2.gz	MGLKSYMREWZEDZ-HTQZYQBOSA-N	-1	1	385.837	-0.155	20	30		GBEDMM
C=CCOCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O	ZINC001573343280	947555675	/nfs/dbraw/zinc/55/56/75/947555675.db2.gz	MGLKSYMREWZEDZ-HTQZYQBOSA-N	-1	1	385.837	-0.155	20	30		GBEDMM
C=CCOCC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573343750	947562136	/nfs/dbraw/zinc/56/21/36/947562136.db2.gz	RXSZVDBKNBAWRJ-CYBMUJFWSA-N	-1	1	388.432	-0.351	20	30		GBEDMM
C=CCOCC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573343750	947562115	/nfs/dbraw/zinc/56/21/15/947562115.db2.gz	RXSZVDBKNBAWRJ-CYBMUJFWSA-N	-1	1	388.432	-0.351	20	30		GBEDMM
C=CCOCC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573343751	947562256	/nfs/dbraw/zinc/56/22/56/947562256.db2.gz	RXSZVDBKNBAWRJ-ZDUSSCGKSA-N	-1	1	388.432	-0.351	20	30		GBEDMM
C=CCOCC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573343751	947562244	/nfs/dbraw/zinc/56/22/44/947562244.db2.gz	RXSZVDBKNBAWRJ-ZDUSSCGKSA-N	-1	1	388.432	-0.351	20	30		GBEDMM
C=CCOCCCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573347314	947571894	/nfs/dbraw/zinc/57/18/94/947571894.db2.gz	BTEPCLMSYKEECC-CYBMUJFWSA-N	-1	1	388.432	-0.299	20	30		GBEDMM
C=CCOCCCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1	ZINC001573347315	947572071	/nfs/dbraw/zinc/57/20/71/947572071.db2.gz	BTEPCLMSYKEECC-ZDUSSCGKSA-N	-1	1	388.432	-0.299	20	30		GBEDMM
C=CCn1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1	ZINC001573348192	947580564	/nfs/dbraw/zinc/58/05/64/947580564.db2.gz	NVKNKBGODZAASM-LLVKDONJSA-N	-1	1	381.404	-0.427	20	30		GBEDMM
C=CCn1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)nn1	ZINC001573348195	947582077	/nfs/dbraw/zinc/58/20/77/947582077.db2.gz	NVKNKBGODZAASM-NSHDSACASA-N	-1	1	381.404	-0.427	20	30		GBEDMM
C=CCOCCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC	ZINC001573348305	947582323	/nfs/dbraw/zinc/58/23/23/947582323.db2.gz	OWIFLIVCSXAZDJ-ZIAGYGMSSA-N	-1	1	388.432	-0.041	20	30		GBEDMM
C=CCOCCCC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1OC	ZINC001573348305	947582317	/nfs/dbraw/zinc/58/23/17/947582317.db2.gz	OWIFLIVCSXAZDJ-ZIAGYGMSSA-N	-1	1	388.432	-0.041	20	30		GBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)nn1	ZINC001573348790	947588634	/nfs/dbraw/zinc/58/86/34/947588634.db2.gz	WJGQLHMXFZZJFE-LLVKDONJSA-N	-1	1	381.404	-0.215	20	30		GBEDMM
C=CCn1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)nn1	ZINC001573348790	947588628	/nfs/dbraw/zinc/58/86/28/947588628.db2.gz	WJGQLHMXFZZJFE-LLVKDONJSA-N	-1	1	381.404	-0.215	20	30		GBEDMM
C=CCn1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)nn1	ZINC001573348791	947589916	/nfs/dbraw/zinc/58/99/16/947589916.db2.gz	WJGQLHMXFZZJFE-NSHDSACASA-N	-1	1	381.404	-0.215	20	30		GBEDMM
C=CCn1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)nn1	ZINC001573348791	947589911	/nfs/dbraw/zinc/58/99/11/947589911.db2.gz	WJGQLHMXFZZJFE-NSHDSACASA-N	-1	1	381.404	-0.215	20	30		GBEDMM
C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573349135	947591875	/nfs/dbraw/zinc/59/18/75/947591875.db2.gz	ZHPPPHKSVAYYPI-GXTWGEPZSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573349135	947591867	/nfs/dbraw/zinc/59/18/67/947591867.db2.gz	ZHPPPHKSVAYYPI-GXTWGEPZSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O	ZINC001573349137	947591982	/nfs/dbraw/zinc/59/19/82/947591982.db2.gz	ZHPPPHKSVAYYPI-JSGCOSHPSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O	ZINC001573349137	947591974	/nfs/dbraw/zinc/59/19/74/947591974.db2.gz	ZHPPPHKSVAYYPI-JSGCOSHPSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O	ZINC001573349140	947592264	/nfs/dbraw/zinc/59/22/64/947592264.db2.gz	ZHPPPHKSVAYYPI-OCCSQVGLSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O	ZINC001573349140	947592258	/nfs/dbraw/zinc/59/22/58/947592258.db2.gz	ZHPPPHKSVAYYPI-OCCSQVGLSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O	ZINC001573349142	947592795	/nfs/dbraw/zinc/59/27/95/947592795.db2.gz	ZHPPPHKSVAYYPI-TZMCWYRMSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O	ZINC001573349142	947592786	/nfs/dbraw/zinc/59/27/86/947592786.db2.gz	ZHPPPHKSVAYYPI-TZMCWYRMSA-N	-1	1	388.432	-0.305	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)c1cncc(-c2nn[n-]n2)n1	ZINC001573350488	947598546	/nfs/dbraw/zinc/59/85/46/947598546.db2.gz	CJSBXFUZYILDKY-OCCSQVGLSA-N	-1	1	388.432	-0.183	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)c1cncc(-c2nnn[n-]2)n1	ZINC001573350488	947598538	/nfs/dbraw/zinc/59/85/38/947598538.db2.gz	CJSBXFUZYILDKY-OCCSQVGLSA-N	-1	1	388.432	-0.183	20	30		GBEDMM
C=CCn1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)nn1	ZINC001573350725	947601114	/nfs/dbraw/zinc/60/11/14/947601114.db2.gz	JGNYMZLNRJXZBB-VXGBXAGGSA-N	-1	1	395.431	-0.324	20	30		GBEDMM
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1	ZINC001573351233	947610351	/nfs/dbraw/zinc/61/03/51/947610351.db2.gz	OPXIOSRDYKJUGY-GHMZBOCLSA-N	-1	1	381.404	-0.571	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573351300	947613257	/nfs/dbraw/zinc/61/32/57/947613257.db2.gz	PVHVVCFUPDTONY-BTJLNZGRSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573351300	947613250	/nfs/dbraw/zinc/61/32/50/947613250.db2.gz	PVHVVCFUPDTONY-BTJLNZGRSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1	ZINC001573351301	947612560	/nfs/dbraw/zinc/61/25/60/947612560.db2.gz	PVHVVCFUPDTONY-ZUCKAHLUSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1	ZINC001573351301	947612551	/nfs/dbraw/zinc/61/25/51/947612551.db2.gz	PVHVVCFUPDTONY-ZUCKAHLUSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1	ZINC001573351306	947612152	/nfs/dbraw/zinc/61/21/52/947612152.db2.gz	QCACMRAOCGGXHD-NSHDSACASA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1	ZINC001573351306	947612150	/nfs/dbraw/zinc/61/21/50/947612150.db2.gz	QCACMRAOCGGXHD-NSHDSACASA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)nn1	ZINC001573351317	947612271	/nfs/dbraw/zinc/61/22/71/947612271.db2.gz	QMVMWIPIRIIQSM-VXGBXAGGSA-N	-1	1	395.431	-0.064	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)c1cncc(-c2nn[n-]n2)n1	ZINC001573351407	947614300	/nfs/dbraw/zinc/61/43/00/947614300.db2.gz	MSERJUGCYCQLAO-OCCSQVGLSA-N	-1	1	388.432	-0.183	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)c1cncc(-c2nnn[n-]2)n1	ZINC001573351407	947614296	/nfs/dbraw/zinc/61/42/96/947614296.db2.gz	MSERJUGCYCQLAO-OCCSQVGLSA-N	-1	1	388.432	-0.183	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)nn1	ZINC001573351563	947616269	/nfs/dbraw/zinc/61/62/69/947616269.db2.gz	SDDZPQQWUPUZNA-MNOVXSKESA-N	-1	1	381.404	-0.169	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1	ZINC001573351618	947617525	/nfs/dbraw/zinc/61/75/25/947617525.db2.gz	UOMSIBWKRHMUDU-INIZCTEOSA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1	ZINC001573351618	947617518	/nfs/dbraw/zinc/61/75/18/947617518.db2.gz	UOMSIBWKRHMUDU-INIZCTEOSA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1	ZINC001573351619	947616652	/nfs/dbraw/zinc/61/66/52/947616652.db2.gz	UOMSIBWKRHMUDU-MRXNPFEDSA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1	ZINC001573351619	947616644	/nfs/dbraw/zinc/61/66/44/947616644.db2.gz	UOMSIBWKRHMUDU-MRXNPFEDSA-N	-1	1	381.404	-0.167	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573351639	947617263	/nfs/dbraw/zinc/61/72/63/947617263.db2.gz	UVCKDDFOZRTORP-BTJLNZGRSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573351639	947617258	/nfs/dbraw/zinc/61/72/58/947617258.db2.gz	UVCKDDFOZRTORP-BTJLNZGRSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1	ZINC001573351642	947617410	/nfs/dbraw/zinc/61/74/10/947617410.db2.gz	UVCKDDFOZRTORP-ZUCKAHLUSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1	ZINC001573351642	947617400	/nfs/dbraw/zinc/61/74/00/947617400.db2.gz	UVCKDDFOZRTORP-ZUCKAHLUSA-N	-1	1	386.416	-0.695	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC	ZINC001573351749	947619147	/nfs/dbraw/zinc/61/91/47/947619147.db2.gz	QEPAINXZZUJGEW-RUZUBIRVSA-N	-1	1	386.416	-0.432	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC	ZINC001573351749	947619134	/nfs/dbraw/zinc/61/91/34/947619134.db2.gz	QEPAINXZZUJGEW-RUZUBIRVSA-N	-1	1	386.416	-0.432	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)nn1	ZINC001573351831	947621344	/nfs/dbraw/zinc/62/13/44/947621344.db2.gz	VVRGIFHLLIWESR-GYSYKLTISA-N	-1	1	393.415	-0.026	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)nn1	ZINC001573351831	947621331	/nfs/dbraw/zinc/62/13/31/947621331.db2.gz	VVRGIFHLLIWESR-GYSYKLTISA-N	-1	1	393.415	-0.026	20	30		GBEDMM
C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)nn1	ZINC001573351866	947622101	/nfs/dbraw/zinc/62/21/01/947622101.db2.gz	WNMJILCYKJQNCD-QWRGUYRKSA-N	-1	1	379.388	-0.463	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1	ZINC001573351904	947624087	/nfs/dbraw/zinc/62/40/87/947624087.db2.gz	XKFLOZXPMYYZBQ-ZYHUDNBSSA-N	-1	1	381.404	-0.311	20	30		GBEDMM
C=CCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1	ZINC001573351904	947624080	/nfs/dbraw/zinc/62/40/80/947624080.db2.gz	XKFLOZXPMYYZBQ-ZYHUDNBSSA-N	-1	1	381.404	-0.311	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573352041	947623031	/nfs/dbraw/zinc/62/30/31/947623031.db2.gz	TTWZMZJMAZHZDW-UPJWGTAASA-N	-1	1	386.416	-0.431	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573352041	947623027	/nfs/dbraw/zinc/62/30/27/947623027.db2.gz	TTWZMZJMAZHZDW-UPJWGTAASA-N	-1	1	386.416	-0.431	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1	ZINC001573352046	947622702	/nfs/dbraw/zinc/62/27/02/947622702.db2.gz	TTWZMZJMAZHZDW-XQQFMLRXSA-N	-1	1	386.416	-0.431	20	30		GBEDMM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1	ZINC001573352046	947622694	/nfs/dbraw/zinc/62/26/94/947622694.db2.gz	TTWZMZJMAZHZDW-XQQFMLRXSA-N	-1	1	386.416	-0.431	20	30		GBEDMM
C=CCn1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1	ZINC001573352087	947625307	/nfs/dbraw/zinc/62/53/07/947625307.db2.gz	ZMVCJJMTATYSLT-NSHDSACASA-N	-1	1	381.404	-0.427	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1	ZINC001573565759	947016693	/nfs/dbraw/zinc/01/66/93/947016693.db2.gz	VMXWTIANBPMIIY-CHWSQXEVSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1	ZINC001573565761	947017123	/nfs/dbraw/zinc/01/71/23/947017123.db2.gz	VMXWTIANBPMIIY-OLZOCXBDSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1	ZINC001573565762	947015002	/nfs/dbraw/zinc/01/50/02/947015002.db2.gz	VMXWTIANBPMIIY-QWHCGFSZSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1	ZINC001573565763	947016269	/nfs/dbraw/zinc/01/62/69/947016269.db2.gz	VMXWTIANBPMIIY-STQMWFEESA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1	ZINC001573569634	947075821	/nfs/dbraw/zinc/07/58/21/947075821.db2.gz	CQWADDUPHKFYOG-CHWSQXEVSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1	ZINC001573569635	947075530	/nfs/dbraw/zinc/07/55/30/947075530.db2.gz	CQWADDUPHKFYOG-OLZOCXBDSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1	ZINC001573569637	947075214	/nfs/dbraw/zinc/07/52/14/947075214.db2.gz	CQWADDUPHKFYOG-QWHCGFSZSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1	ZINC001573569639	947077234	/nfs/dbraw/zinc/07/72/34/947077234.db2.gz	CQWADDUPHKFYOG-STQMWFEESA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1	ZINC001573569826	947079854	/nfs/dbraw/zinc/07/98/54/947079854.db2.gz	FVRBECXOHFYQSP-CHWSQXEVSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1	ZINC001573569827	947079200	/nfs/dbraw/zinc/07/92/00/947079200.db2.gz	FVRBECXOHFYQSP-OLZOCXBDSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1	ZINC001573569828	947077803	/nfs/dbraw/zinc/07/78/03/947077803.db2.gz	FVRBECXOHFYQSP-QWHCGFSZSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1	ZINC001573569829	947078572	/nfs/dbraw/zinc/07/85/72/947078572.db2.gz	FVRBECXOHFYQSP-STQMWFEESA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1	ZINC001573569840	947079640	/nfs/dbraw/zinc/07/96/40/947079640.db2.gz	GFZXPTIFCQMKQU-CHWSQXEVSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1	ZINC001573569840	947079629	/nfs/dbraw/zinc/07/96/29/947079629.db2.gz	GFZXPTIFCQMKQU-CHWSQXEVSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1	ZINC001573569841	947079791	/nfs/dbraw/zinc/07/97/91/947079791.db2.gz	GFZXPTIFCQMKQU-OLZOCXBDSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1	ZINC001573569841	947079780	/nfs/dbraw/zinc/07/97/80/947079780.db2.gz	GFZXPTIFCQMKQU-OLZOCXBDSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1	ZINC001573569842	947080031	/nfs/dbraw/zinc/08/00/31/947080031.db2.gz	GFZXPTIFCQMKQU-QWHCGFSZSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1	ZINC001573569842	947080021	/nfs/dbraw/zinc/08/00/21/947080021.db2.gz	GFZXPTIFCQMKQU-QWHCGFSZSA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1	ZINC001573569843	947079255	/nfs/dbraw/zinc/07/92/55/947079255.db2.gz	GFZXPTIFCQMKQU-STQMWFEESA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1	ZINC001573569843	947079245	/nfs/dbraw/zinc/07/92/45/947079245.db2.gz	GFZXPTIFCQMKQU-STQMWFEESA-N	-1	1	382.432	-0.461	20	30		GBEDMM
C[C@H](C(=O)N1CCCC1)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001573627468	947723723	/nfs/dbraw/zinc/72/37/23/947723723.db2.gz	BWEUVGAIRJPPHL-GFCCVEGCSA-N	-1	1	382.432	-0.339	20	30		GBEDMM
C[C@@H](C(=O)N1CCCC1)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1	ZINC001573627469	947725107	/nfs/dbraw/zinc/72/51/07/947725107.db2.gz	BWEUVGAIRJPPHL-LBPRGKRZSA-N	-1	1	382.432	-0.339	20	30		GBEDMM
C[C@H](C(=O)N1CCCC1)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001573628905	947767618	/nfs/dbraw/zinc/76/76/18/947767618.db2.gz	PCCKPUGJIXEMRG-GFCCVEGCSA-N	-1	1	382.432	-0.339	20	30		GBEDMM
C[C@H](C(=O)N1CCCC1)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001573628905	947767614	/nfs/dbraw/zinc/76/76/14/947767614.db2.gz	PCCKPUGJIXEMRG-GFCCVEGCSA-N	-1	1	382.432	-0.339	20	30		GBEDMM
C[C@@H](C(=O)N1CCCC1)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1	ZINC001573628907	947767988	/nfs/dbraw/zinc/76/79/88/947767988.db2.gz	PCCKPUGJIXEMRG-LBPRGKRZSA-N	-1	1	382.432	-0.339	20	30		GBEDMM
C[C@@H](C(=O)N1CCCC1)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1	ZINC001573628907	947767979	/nfs/dbraw/zinc/76/79/79/947767979.db2.gz	PCCKPUGJIXEMRG-LBPRGKRZSA-N	-1	1	382.432	-0.339	20	30		GBEDMM
CC(C)(C)C#CC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1	ZINC001573792524	949249214	/nfs/dbraw/zinc/24/92/14/949249214.db2.gz	AIJVTGLWDGRNSR-UHFFFAOYSA-N	-1	1	383.460	-0.056	20	30		GBEDMM
C[C@H](C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001588546623	958999966	/nfs/dbraw/zinc/99/99/66/958999966.db2.gz	CCCKNGIHXHEZGJ-KHQFGBGNSA-N	-1	1	388.306	-0.167	20	30		GBEDMM
C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001588546627	958999204	/nfs/dbraw/zinc/99/92/04/958999204.db2.gz	CCCKNGIHXHEZGJ-MRTMQBJTSA-N	-1	1	388.306	-0.167	20	30		GBEDMM
C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001588546628	958999572	/nfs/dbraw/zinc/99/95/72/958999572.db2.gz	CCCKNGIHXHEZGJ-NQMVMOMDSA-N	-1	1	388.306	-0.167	20	30		GBEDMM
C[C@H](C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001588546629	959000019	/nfs/dbraw/zinc/00/00/19/959000019.db2.gz	CCCKNGIHXHEZGJ-WEDXCCLWSA-N	-1	1	388.306	-0.167	20	30		GBEDMM
C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1=O	ZINC001588891249	984487117	/nfs/dbraw/zinc/48/71/17/984487117.db2.gz	HDRCKOCVIJXPBM-UONOGXRCSA-N	-1	1	376.413	-0.456	20	30		GBEDMM
CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC001591365738	992369007	/nfs/dbraw/zinc/36/90/07/992369007.db2.gz	BNFVGMAWQULITI-HNNXBMFYSA-N	-1	1	376.413	-0.109	20	30		GBEDMM
CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC001591365739	992369053	/nfs/dbraw/zinc/36/90/53/992369053.db2.gz	BNFVGMAWQULITI-OAHLLOKOSA-N	-1	1	376.413	-0.109	20	30		GBEDMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC001592410720	978003677	/nfs/dbraw/zinc/00/36/77/978003677.db2.gz	NUEKKYXLGZASSC-CYBMUJFWSA-N	-1	1	394.453	-0.156	20	30		GBEDMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC001592410721	978003548	/nfs/dbraw/zinc/00/35/48/978003548.db2.gz	NUEKKYXLGZASSC-ZDUSSCGKSA-N	-1	1	394.453	-0.156	20	30		GBEDMM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001593338741	994929636	/nfs/dbraw/zinc/92/96/36/994929636.db2.gz	BWCMNHNQZPVGRP-GFCCVEGCSA-N	-1	1	380.426	-0.546	20	30		GBEDMM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001593338745	994929663	/nfs/dbraw/zinc/92/96/63/994929663.db2.gz	BWCMNHNQZPVGRP-LBPRGKRZSA-N	-1	1	380.426	-0.546	20	30		GBEDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001594515404	985875627	/nfs/dbraw/zinc/87/56/27/985875627.db2.gz	ODKOPHXMKFARPK-GFCCVEGCSA-N	-1	1	394.453	-0.268	20	30		GBEDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001594515414	985876067	/nfs/dbraw/zinc/87/60/67/985876067.db2.gz	ODKOPHXMKFARPK-LBPRGKRZSA-N	-1	1	394.453	-0.268	20	30		GBEDMM
CCOC(=O)CON=C(C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1cc[nH]n1	ZINC001596629781	984613361	/nfs/dbraw/zinc/61/33/61/984613361.db2.gz	VJDYRBCQBOTZNI-APPDUMDISA-N	-1	1	394.384	-0.357	20	30		GBEDMM
CO[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC001599077452	996909007	/nfs/dbraw/zinc/90/90/07/996909007.db2.gz	XVNHWHNMZMFLJB-KRWDZBQOSA-N	-1	1	377.401	-0.321	20	30		GBEDMM
CO[C@]1(C(=O)[O-])CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC001599077455	996908398	/nfs/dbraw/zinc/90/83/98/996908398.db2.gz	XVNHWHNMZMFLJB-QGZVFWFLSA-N	-1	1	377.401	-0.321	20	30		GBEDMM
N#Cc1cn(CCC(=O)N2CCC(CN3CCOCC3)CC2)c(=O)[n-]c1=O	ZINC001625802399	1072182817	/nfs/dbraw/zinc/18/28/17/1072182817.db2.gz	UZFXGRHZNFWPKH-UHFFFAOYSA-N	-1	1	375.429	-0.219	20	30		GBEDMM
CN1CCN(c2ccccc2CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001628685910	1070790753	/nfs/dbraw/zinc/79/07/53/1070790753.db2.gz	QBNNZGQRVFMCIF-UHFFFAOYSA-N	-1	1	382.424	-0.111	20	30		GBEDMM
CC(C)CN1CCO[C@@H](CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001628774158	1070793642	/nfs/dbraw/zinc/79/36/42/1070793642.db2.gz	QFGGFJCJTWVHFF-AWEZNQCLSA-N	-1	1	378.433	-0.523	20	30		GBEDMM
CC(C)CN1CCO[C@H](CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001628774159	1070793057	/nfs/dbraw/zinc/79/30/57/1070793057.db2.gz	QFGGFJCJTWVHFF-CQSZACIVSA-N	-1	1	378.433	-0.523	20	30		GBEDMM
N#Cc1cn(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)c(=O)[n-]c1=O	ZINC001628832911	1070794384	/nfs/dbraw/zinc/79/43/84/1070794384.db2.gz	NSBNCXJHDHNBJM-UHFFFAOYSA-N	-1	1	396.451	-0.245	20	30		GBEDMM
C[C@@H]1COCCN1C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001628856968	1070796004	/nfs/dbraw/zinc/79/60/04/1070796004.db2.gz	JSKUULOAMOGDKW-CYBMUJFWSA-N	-1	1	375.429	-0.078	20	30		GBEDMM
C[C@H]1COCCN1C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001628856969	1070795412	/nfs/dbraw/zinc/79/54/12/1070795412.db2.gz	JSKUULOAMOGDKW-ZDUSSCGKSA-N	-1	1	375.429	-0.078	20	30		GBEDMM
C[C@@H]1CN(CCCNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001629303103	1070810004	/nfs/dbraw/zinc/81/00/04/1070810004.db2.gz	NBBWQCMLXPJWEF-BETUJISGSA-N	-1	1	378.433	-0.381	20	30		GBEDMM
C[C@@H]1CN(CCCNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H](C)O1	ZINC001629303104	1070810717	/nfs/dbraw/zinc/81/07/17/1070810717.db2.gz	NBBWQCMLXPJWEF-CHWSQXEVSA-N	-1	1	378.433	-0.381	20	30		GBEDMM
C[C@H]1CN(CCCNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C[C@H](C)O1	ZINC001629303105	1070809888	/nfs/dbraw/zinc/80/98/88/1070809888.db2.gz	NBBWQCMLXPJWEF-STQMWFEESA-N	-1	1	378.433	-0.381	20	30		GBEDMM
CN1CCN(c2cc(CNC(=O)CCn3cc(C#N)c(=O)[n-]c3=O)ccn2)CC1	ZINC001630132571	1070859205	/nfs/dbraw/zinc/85/92/05/1070859205.db2.gz	IACIOGQNNRAYSO-UHFFFAOYSA-N	-1	1	397.439	-0.326	20	30		GBEDMM
O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCC(c2nn[n-]n2)CC1	ZINC001632650961	1070948015	/nfs/dbraw/zinc/94/80/15/1070948015.db2.gz	MHOJITSVHKSHLS-UHFFFAOYSA-N	-1	1	375.414	-0.356	20	30		GBEDMM
C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1=O	ZINC001632892304	1070958383	/nfs/dbraw/zinc/95/83/83/1070958383.db2.gz	ZBRFXJPMZSFJHT-UHFFFAOYSA-N	-1	1	376.291	-0.900	20	30		GBEDMM
CCN(CC)C(=O)CN1CCC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001636100264	1071067092	/nfs/dbraw/zinc/06/70/92/1071067092.db2.gz	ZHNALACHHAJBNK-UHFFFAOYSA-N	-1	1	390.444	-0.730	20	30		GBEDMM
CN1CCN(c2ccc(CNC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)cc2)CC1	ZINC001636779487	1071100335	/nfs/dbraw/zinc/10/03/35/1071100335.db2.gz	JHCXZKCMHCIKFI-UHFFFAOYSA-N	-1	1	382.424	-0.111	20	30		GBEDMM
O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001638182544	1071161198	/nfs/dbraw/zinc/16/11/98/1071161198.db2.gz	UWYFRZFBHSFFGD-LLVKDONJSA-N	-1	1	389.441	-0.281	20	30		GBEDMM
O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001638182545	1071160960	/nfs/dbraw/zinc/16/09/60/1071160960.db2.gz	UWYFRZFBHSFFGD-NSHDSACASA-N	-1	1	389.441	-0.281	20	30		GBEDMM
N#Cc1cn(CCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(=O)[n-]c1=O	ZINC001639342278	1071210780	/nfs/dbraw/zinc/21/07/80/1071210780.db2.gz	JDFHVSIUZZCSMT-AWEZNQCLSA-N	-1	1	375.429	-0.219	20	30		GBEDMM
CN1CC[C@H](N2CCC(NC(=O)CCn3cc(C#N)c(=O)[n-]c3=O)CC2)C1=O	ZINC001640310044	1071242724	/nfs/dbraw/zinc/24/27/24/1071242724.db2.gz	BELWIZYCHHOIRT-AWEZNQCLSA-N	-1	1	388.428	-0.978	20	30		GBEDMM
CN1CC[C@@H](N2CCC(NC(=O)CCn3cc(C#N)c(=O)[n-]c3=O)CC2)C1=O	ZINC001640310045	1071242745	/nfs/dbraw/zinc/24/27/45/1071242745.db2.gz	BELWIZYCHHOIRT-CQSZACIVSA-N	-1	1	388.428	-0.978	20	30		GBEDMM
COc1cccc(C[C@H]2CN(C(=O)Cn3cc(C#N)c(=O)[n-]c3=O)CCN2)c1	ZINC001642753593	1071308577	/nfs/dbraw/zinc/30/85/77/1071308577.db2.gz	ZEPGZNIOEKWJON-HNNXBMFYSA-N	-1	1	383.408	-0.128	20	30		GBEDMM
COc1cccc(C[C@@H]2CN(C(=O)Cn3cc(C#N)c(=O)[n-]c3=O)CCN2)c1	ZINC001642753594	1071309082	/nfs/dbraw/zinc/30/90/82/1071309082.db2.gz	ZEPGZNIOEKWJON-OAHLLOKOSA-N	-1	1	383.408	-0.128	20	30		GBEDMM
COc1ccc(C(=O)[N-]C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1	ZINC001648415998	1071482972	/nfs/dbraw/zinc/48/29/72/1071482972.db2.gz	RKMQGGOYAKDPFV-GUYCJALGSA-N	-1	1	377.422	-0.178	20	30		GBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)n[n-]1	ZINC001660951049	1071648630	/nfs/dbraw/zinc/64/86/30/1071648630.db2.gz	WAAHSBHZMOHQFW-UHFFFAOYSA-N	-1	1	376.398	-0.026	20	30		GBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)[n-]n1	ZINC001660951049	1071648628	/nfs/dbraw/zinc/64/86/28/1071648628.db2.gz	WAAHSBHZMOHQFW-UHFFFAOYSA-N	-1	1	376.398	-0.026	20	30		GBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)n[n-]1	ZINC001661263198	1071653243	/nfs/dbraw/zinc/65/32/43/1071653243.db2.gz	ZGQXAUIESSREPA-UHFFFAOYSA-N	-1	1	376.398	-0.026	20	30		GBEDMM
COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)[n-]n1	ZINC001661263198	1071653241	/nfs/dbraw/zinc/65/32/41/1071653241.db2.gz	ZGQXAUIESSREPA-UHFFFAOYSA-N	-1	1	376.398	-0.026	20	30		GBEDMM
C=CCOC[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC)C(=O)OC	ZINC001663618370	1071687128	/nfs/dbraw/zinc/68/71/28/1071687128.db2.gz	VXPCQHGXFIFSRC-JTQLQIEISA-N	-1	1	375.403	-0.083	20	30		GBEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC)C(=O)OC	ZINC001663618371	1071687235	/nfs/dbraw/zinc/68/72/35/1071687235.db2.gz	VXPCQHGXFIFSRC-SNVBAGLBSA-N	-1	1	375.403	-0.083	20	30		GBEDMM
C#C[C@H](CO)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12	ZINC001664138241	1071699437	/nfs/dbraw/zinc/69/94/37/1071699437.db2.gz	UPUYCKYXFJJDNC-MRVPVSSYSA-N	-1	1	375.204	-0.227	20	30		GBEDMM
C#C[C@@H](CO)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12	ZINC001664138243	1071699523	/nfs/dbraw/zinc/69/95/23/1071699523.db2.gz	UPUYCKYXFJJDNC-QMMMGPOBSA-N	-1	1	375.204	-0.227	20	30		GBEDMM
COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC#CCO	ZINC001664159747	1071700153	/nfs/dbraw/zinc/70/01/53/1071700153.db2.gz	CAVPPPUAQTUVOR-UHFFFAOYSA-N	-1	1	375.204	-0.226	20	30		GBEDMM
CN1CCN(C(C)(C)CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC001682300025	1071931493	/nfs/dbraw/zinc/93/14/93/1071931493.db2.gz	ASOISGBPLQVQNK-UHFFFAOYSA-N	-1	1	389.460	-0.587	20	30		GBEDMM
N#Cc1cn(CCNC(=O)N[C@@H]2CCCN3CCSC[C@H]23)c(=O)[n-]c1=O	ZINC001685273326	1071999400	/nfs/dbraw/zinc/99/94/00/1071999400.db2.gz	CRJJSDIACBEJLX-CHWSQXEVSA-N	-1	1	378.458	-0.300	20	30		GBEDMM
N#Cc1cn(CCNC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)c(=O)[n-]c1=O	ZINC001685273327	1071999320	/nfs/dbraw/zinc/99/93/20/1071999320.db2.gz	CRJJSDIACBEJLX-OLZOCXBDSA-N	-1	1	378.458	-0.300	20	30		GBEDMM
N#Cc1cn(CCNC(=O)N[C@H]2CCCN3CCSC[C@H]23)c(=O)[n-]c1=O	ZINC001685273328	1071999171	/nfs/dbraw/zinc/99/91/71/1071999171.db2.gz	CRJJSDIACBEJLX-QWHCGFSZSA-N	-1	1	378.458	-0.300	20	30		GBEDMM
N#Cc1cn(CCNC(=O)N[C@H]2CCCN3CCSC[C@@H]23)c(=O)[n-]c1=O	ZINC001685273329	1071999200	/nfs/dbraw/zinc/99/92/00/1071999200.db2.gz	CRJJSDIACBEJLX-STQMWFEESA-N	-1	1	378.458	-0.300	20	30		GBEDMM