smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])n1	ZINC000824476835	603440937	/nfs/dbraw/zinc/44/09/37/603440937.db2.gz	SUGCFFNGDMRODG-CABCVRRESA-N	-1	2	371.462	3.712	20	30		FHEDLM
N#CC(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066742	604225923	/nfs/dbraw/zinc/22/59/23/604225923.db2.gz	YPKRGBRJGBVUKI-INTQDDNPSA-N	-1	2	363.826	3.562	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066742	604225928	/nfs/dbraw/zinc/22/59/28/604225928.db2.gz	YPKRGBRJGBVUKI-INTQDDNPSA-N	-1	2	363.826	3.562	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148820	604253691	/nfs/dbraw/zinc/25/36/91/604253691.db2.gz	KNCZPCZEBKEKNH-GXTWGEPZSA-N	-1	2	357.435	3.541	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148820	604253693	/nfs/dbraw/zinc/25/36/93/604253693.db2.gz	KNCZPCZEBKEKNH-GXTWGEPZSA-N	-1	2	357.435	3.541	20	30		FHEDLM
N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2o1	ZINC000740304793	602671094	/nfs/dbraw/zinc/67/10/94/602671094.db2.gz	ZQMGCFDXGFPZMM-HUUCEWRRSA-N	-1	2	363.373	3.793	20	30		FHEDLM
CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])n1	ZINC000824476836	603440875	/nfs/dbraw/zinc/44/08/75/603440875.db2.gz	SUGCFFNGDMRODG-GJZGRUSLSA-N	-1	2	371.462	3.712	20	30		FHEDLM
N#C[C@@H](C(=O)CCCNC(=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1	ZINC000739073647	599798704	/nfs/dbraw/zinc/79/87/04/599798704.db2.gz	DTVMFNDPXXVZGA-VIFPVBQESA-N	-1	2	371.340	3.539	20	30		FHEDLM
N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1nc2cc(Cl)ccc2s1	ZINC000831064551	604253895	/nfs/dbraw/zinc/25/38/95/604253895.db2.gz	JAAXYABDMISJNJ-JTQLQIEISA-N	-1	2	363.826	3.706	20	30		FHEDLM
N#C[C@@H](C(=O)CC1(NC(=O)[O-])CCC1)c1nc2cc(Cl)ccc2s1	ZINC000831064551	604253898	/nfs/dbraw/zinc/25/38/98/604253898.db2.gz	JAAXYABDMISJNJ-JTQLQIEISA-N	-1	2	363.826	3.706	20	30		FHEDLM
N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000833961128	606093058	/nfs/dbraw/zinc/09/30/58/606093058.db2.gz	OPJAYHFPIRXFOT-LBPRGKRZSA-N	-1	2	369.377	3.944	20	30		FHEDLM
N#C[C@@H](C(=O)Cc1ccccc1NC(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000833961128	606093062	/nfs/dbraw/zinc/09/30/62/606093062.db2.gz	OPJAYHFPIRXFOT-LBPRGKRZSA-N	-1	2	369.377	3.944	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])n1	ZINC000824476837	603440653	/nfs/dbraw/zinc/44/06/53/603440653.db2.gz	SUGCFFNGDMRODG-HUUCEWRRSA-N	-1	2	371.462	3.712	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)n2)cc1	ZINC000830149918	604224601	/nfs/dbraw/zinc/22/46/01/604224601.db2.gz	VTUNQUIYTRBDOS-RBSFLKMASA-N	-1	2	369.446	3.731	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)n2)cc1	ZINC000830149921	604224836	/nfs/dbraw/zinc/22/48/36/604224836.db2.gz	VTUNQUIYTRBDOS-SOUVJXGZSA-N	-1	2	369.446	3.731	20	30		FHEDLM
N#C[C@H](C(=O)CC[C@H]1CCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833961817	605492018	/nfs/dbraw/zinc/49/20/18/605492018.db2.gz	VGCNTCOJICNQFM-DZGCQCFKSA-N	-1	2	369.446	3.766	20	30		FHEDLM
N#C[C@H](C(=O)CC[C@@H]1CCCN1C(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000833961985	605502582	/nfs/dbraw/zinc/50/25/82/605502582.db2.gz	WDMGIPHFGHAWID-NWDGAFQWSA-N	-1	2	361.398	3.534	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@@]3(C)CCN(C(=O)[O-])C3)n2)cc1	ZINC000830150122	604185693	/nfs/dbraw/zinc/18/56/93/604185693.db2.gz	WDDNBSBDUWHHJT-KUHUBIRLSA-N	-1	2	369.446	3.685	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148822	604253792	/nfs/dbraw/zinc/25/37/92/604253792.db2.gz	KNCZPCZEBKEKNH-OCCSQVGLSA-N	-1	2	357.435	3.541	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148822	604253795	/nfs/dbraw/zinc/25/37/95/604253795.db2.gz	KNCZPCZEBKEKNH-OCCSQVGLSA-N	-1	2	357.435	3.541	20	30		FHEDLM
N#C[C@@H](C(=O)CC[C@H]1CCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833961831	605492161	/nfs/dbraw/zinc/49/21/61/605492161.db2.gz	VGCNTCOJICNQFM-ZFWWWQNUSA-N	-1	2	369.446	3.766	20	30		FHEDLM
CSc1ccc([C@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000738199564	599843068	/nfs/dbraw/zinc/84/30/68/599843068.db2.gz	NVEGTURSEWASPP-PACYTGELSA-N	-1	2	360.391	3.657	20	30		FHEDLM
N#C[C@@H](C(=O)CC[C@@H]1CCCN1C(=O)[O-])c1nc(-c2ccccc2)cs1	ZINC000833961054	605492512	/nfs/dbraw/zinc/49/25/12/605492512.db2.gz	NWGOKSVXEMBRCJ-GJZGRUSLSA-N	-1	2	369.446	3.909	20	30		FHEDLM
N#C[C@H](C(=O)CCCCNC(=O)[O-])c1nc2cc(Cl)ccc2s1	ZINC000833959995	605909369	/nfs/dbraw/zinc/90/93/69/605909369.db2.gz	FHGPPWLWZWEDBT-SNVBAGLBSA-N	-1	2	351.815	3.564	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833064405	601236957	/nfs/dbraw/zinc/23/69/57/601236957.db2.gz	RRECDWRPVPNHSW-QLFBSQMISA-N	-1	2	354.431	3.877	20	30		FHEDLM
N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2o1	ZINC000740304795	602671044	/nfs/dbraw/zinc/67/10/44/602671044.db2.gz	ZQMGCFDXGFPZMM-LSDHHAIUSA-N	-1	2	363.373	3.793	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000831064334	604224813	/nfs/dbraw/zinc/22/48/13/604224813.db2.gz	FQWSYGYOXJUTSQ-RBSFLKMASA-N	-1	2	369.446	3.813	20	30		FHEDLM
N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1	ZINC000831064143	604253850	/nfs/dbraw/zinc/25/38/50/604253850.db2.gz	CHOFJBCYPVHLKZ-ZDUSSCGKSA-N	-1	2	355.419	3.567	20	30		FHEDLM
N#C[C@@H](C(=O)CC1(NC(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1	ZINC000831064143	604253852	/nfs/dbraw/zinc/25/38/52/604253852.db2.gz	CHOFJBCYPVHLKZ-ZDUSSCGKSA-N	-1	2	355.419	3.567	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000824476254	604417815	/nfs/dbraw/zinc/41/78/15/604417815.db2.gz	JNIPYLRARKZKSA-MELADBBJSA-N	-1	2	363.483	3.859	20	30		FHEDLM
N#C[C@@H](C(=O)CC[C@@H]1CCCN1C(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000833961986	605502720	/nfs/dbraw/zinc/50/27/20/605502720.db2.gz	WDMGIPHFGHAWID-RYUDHWBXSA-N	-1	2	361.398	3.534	20	30		FHEDLM
N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000833961124	606093070	/nfs/dbraw/zinc/09/30/70/606093070.db2.gz	OPJAYHFPIRXFOT-GFCCVEGCSA-N	-1	2	369.377	3.944	20	30		FHEDLM
N#C[C@H](C(=O)Cc1ccccc1NC(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000833961124	606093074	/nfs/dbraw/zinc/09/30/74/606093074.db2.gz	OPJAYHFPIRXFOT-GFCCVEGCSA-N	-1	2	369.377	3.944	20	30		FHEDLM
N#C[C@H](C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1nc2ccccc2s1	ZINC000831064699	604152911	/nfs/dbraw/zinc/15/29/11/604152911.db2.gz	LNJNEZUUFWTPHL-WTUNAVPPSA-N	-1	2	369.446	3.784	20	30		FHEDLM
N#CC(C(=O)Cc1ccc(NC(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000740303516	602479627	/nfs/dbraw/zinc/47/96/27/602479627.db2.gz	KEKLZWLKVJSGEP-ZDUSSCGKSA-N	-1	2	369.377	3.944	20	30		FHEDLM
N#C[C@@H](C(=O)Cc1ccc(NC(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000740303516	602479630	/nfs/dbraw/zinc/47/96/30/602479630.db2.gz	KEKLZWLKVJSGEP-ZDUSSCGKSA-N	-1	2	369.377	3.944	20	30		FHEDLM
CSc1ccc([C@H](CC(=O)[O-])/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000738199571	599843024	/nfs/dbraw/zinc/84/30/24/599843024.db2.gz	NVEGTURSEWASPP-ZNBBLSJYSA-N	-1	2	360.391	3.657	20	30		FHEDLM
N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2o1	ZINC000740304789	602671063	/nfs/dbraw/zinc/67/10/63/602671063.db2.gz	ZQMGCFDXGFPZMM-CABCVRRESA-N	-1	2	363.373	3.793	20	30		FHEDLM
O=C([O-])C(C(O)=CSc1cccc(Cl)c1)c1nc2ccccc2[nH]1	ZINC000739497858	599763697	/nfs/dbraw/zinc/76/36/97/599763697.db2.gz	GKUGYSVQJWKYSD-UHFFFAOYSA-N	-1	2	360.822	3.835	20	30		FHEDLM
CSc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000738199568	599843074	/nfs/dbraw/zinc/84/30/74/599843074.db2.gz	NVEGTURSEWASPP-YQYFLZKSSA-N	-1	2	360.391	3.657	20	30		FHEDLM
N#C[C@@H](C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833961825	605492245	/nfs/dbraw/zinc/49/22/45/605492245.db2.gz	VGCNTCOJICNQFM-HIFRSBDPSA-N	-1	2	369.446	3.766	20	30		FHEDLM
N#CC(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066741	604225481	/nfs/dbraw/zinc/22/54/81/604225481.db2.gz	YPKRGBRJGBVUKI-FBIMIBRVSA-N	-1	2	363.826	3.562	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066741	604225485	/nfs/dbraw/zinc/22/54/85/604225485.db2.gz	YPKRGBRJGBVUKI-FBIMIBRVSA-N	-1	2	363.826	3.562	20	30		FHEDLM
N#C[C@H](C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833961828	605492260	/nfs/dbraw/zinc/49/22/60/605492260.db2.gz	VGCNTCOJICNQFM-UKRRQHHQSA-N	-1	2	369.446	3.766	20	30		FHEDLM
N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nc2ccccc2s1	ZINC000833960091	606091797	/nfs/dbraw/zinc/09/17/97/606091797.db2.gz	FQGXZLLPHSPYAV-LBPRGKRZSA-N	-1	2	351.387	3.805	20	30		FHEDLM
N#C[C@@H](C(=O)Cc1ccccc1NC(=O)[O-])c1nc2ccccc2s1	ZINC000833960091	606091801	/nfs/dbraw/zinc/09/18/01/606091801.db2.gz	FQGXZLLPHSPYAV-LBPRGKRZSA-N	-1	2	351.387	3.805	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCSCC(=O)[O-])n2)cc1	ZINC000738487781	599798809	/nfs/dbraw/zinc/79/88/09/599798809.db2.gz	DXUOBBIONWBPRC-CYBMUJFWSA-N	-1	2	360.460	3.503	20	30		FHEDLM
N#C[C@@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1	ZINC000739074388	600099957	/nfs/dbraw/zinc/09/99/57/600099957.db2.gz	IQHASOROTPJTOY-AWEZNQCLSA-N	-1	2	350.399	3.804	20	30		FHEDLM
N#C[C@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1	ZINC000739074389	600100184	/nfs/dbraw/zinc/10/01/84/600100184.db2.gz	IQHASOROTPJTOY-CQSZACIVSA-N	-1	2	350.399	3.804	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000831064336	604225024	/nfs/dbraw/zinc/22/50/24/604225024.db2.gz	FQWSYGYOXJUTSQ-SOUVJXGZSA-N	-1	2	369.446	3.813	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148823	604253766	/nfs/dbraw/zinc/25/37/66/604253766.db2.gz	KNCZPCZEBKEKNH-TZMCWYRMSA-N	-1	2	357.435	3.541	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148823	604253768	/nfs/dbraw/zinc/25/37/68/604253768.db2.gz	KNCZPCZEBKEKNH-TZMCWYRMSA-N	-1	2	357.435	3.541	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)C(C)(C)CNC(=O)[O-])n2)cc1	ZINC000830148945	603783980	/nfs/dbraw/zinc/78/39/80/603783980.db2.gz	LQWPEWPRIHUYBF-ZDUSSCGKSA-N	-1	2	357.435	3.589	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)C(C)(C)CNC(=O)[O-])n2)cc1	ZINC000830148945	603783984	/nfs/dbraw/zinc/78/39/84/603783984.db2.gz	LQWPEWPRIHUYBF-ZDUSSCGKSA-N	-1	2	357.435	3.589	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)n2)cc1	ZINC000830149916	604224593	/nfs/dbraw/zinc/22/45/93/604224593.db2.gz	VTUNQUIYTRBDOS-QLFBSQMISA-N	-1	2	369.446	3.731	20	30		FHEDLM
CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1C#N	ZINC000546152087	947054113	/nfs/dbraw/zinc/05/41/13/947054113.db2.gz	WEJLOUYAVZZTDB-UHFFFAOYSA-N	-1	2	370.217	3.645	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833064413	601236876	/nfs/dbraw/zinc/23/68/76/601236876.db2.gz	RRECDWRPVPNHSW-SOUVJXGZSA-N	-1	2	354.431	3.877	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833064411	601237000	/nfs/dbraw/zinc/23/70/00/601237000.db2.gz	RRECDWRPVPNHSW-RRFJBIMHSA-N	-1	2	354.431	3.877	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000739073481	599728605	/nfs/dbraw/zinc/72/86/05/599728605.db2.gz	CPJCOMVPOPEJHT-RFNSFCHJSA-N	-1	2	370.474	3.508	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148821	604253842	/nfs/dbraw/zinc/25/38/42/604253842.db2.gz	KNCZPCZEBKEKNH-JSGCOSHPSA-N	-1	2	357.435	3.541	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-])n2)cc1	ZINC000830148821	604253844	/nfs/dbraw/zinc/25/38/44/604253844.db2.gz	KNCZPCZEBKEKNH-JSGCOSHPSA-N	-1	2	357.435	3.541	20	30		FHEDLM
N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nc2ccccc2s1	ZINC000833960090	606091541	/nfs/dbraw/zinc/09/15/41/606091541.db2.gz	FQGXZLLPHSPYAV-GFCCVEGCSA-N	-1	2	351.387	3.805	20	30		FHEDLM
N#C[C@H](C(=O)Cc1ccccc1NC(=O)[O-])c1nc2ccccc2s1	ZINC000833960090	606091544	/nfs/dbraw/zinc/09/15/44/606091544.db2.gz	FQGXZLLPHSPYAV-GFCCVEGCSA-N	-1	2	351.387	3.805	20	30		FHEDLM
CC(C)c1csc([C@@H](C#N)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n1	ZINC000824476643	604159364	/nfs/dbraw/zinc/15/93/64/604159364.db2.gz	PQYYFVCUWUXSJT-GSPSYOTPSA-N	-1	2	361.467	3.754	20	30		FHEDLM
N#CC(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066743	604226166	/nfs/dbraw/zinc/22/61/66/604226166.db2.gz	YPKRGBRJGBVUKI-JMJZKYOTSA-N	-1	2	363.826	3.562	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066743	604226167	/nfs/dbraw/zinc/22/61/67/604226167.db2.gz	YPKRGBRJGBVUKI-JMJZKYOTSA-N	-1	2	363.826	3.562	20	30		FHEDLM
CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)n1	ZINC000824475949	605086042	/nfs/dbraw/zinc/08/60/42/605086042.db2.gz	DALDFLDQRNIHPO-OCCSQVGLSA-N	-1	2	363.483	3.859	20	30		FHEDLM
N#C[C@@H](C(=O)CCC1CCN(C(=O)[O-])CC1)c1nc2ccccc2s1	ZINC000833961620	606084706	/nfs/dbraw/zinc/08/47/06/606084706.db2.gz	SBXYUZVCADOPEH-ZDUSSCGKSA-N	-1	2	357.435	3.643	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000739073475	599728544	/nfs/dbraw/zinc/72/85/44/599728544.db2.gz	CPJCOMVPOPEJHT-BRXVWADSSA-N	-1	2	370.474	3.508	20	30		FHEDLM
N#C[C@H](C(=O)CCCNC(=O)[O-])c1nc2cc(C(F)(F)F)ccc2s1	ZINC000739073644	599798797	/nfs/dbraw/zinc/79/87/97/599798797.db2.gz	DTVMFNDPXXVZGA-SECBINFHSA-N	-1	2	371.340	3.539	20	30		FHEDLM
N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1	ZINC000831064140	604253825	/nfs/dbraw/zinc/25/38/25/604253825.db2.gz	CHOFJBCYPVHLKZ-CYBMUJFWSA-N	-1	2	355.419	3.567	20	30		FHEDLM
N#C[C@H](C(=O)CC1(NC(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1	ZINC000831064140	604253827	/nfs/dbraw/zinc/25/38/27/604253827.db2.gz	CHOFJBCYPVHLKZ-CYBMUJFWSA-N	-1	2	355.419	3.567	20	30		FHEDLM
N#C[C@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000739074455	600101065	/nfs/dbraw/zinc/10/10/65/600101065.db2.gz	JPFJDEQFQYVXLZ-CQSZACIVSA-N	-1	2	368.389	3.943	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)CC(C)(C)NC(=O)[O-])n2)cc1	ZINC000740095162	603160940	/nfs/dbraw/zinc/16/09/40/603160940.db2.gz	PUDCWEGNWJXXJL-ZDUSSCGKSA-N	-1	2	357.435	3.731	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC(C)(C)NC(=O)[O-])n2)cc1	ZINC000740095162	603160943	/nfs/dbraw/zinc/16/09/43/603160943.db2.gz	PUDCWEGNWJXXJL-ZDUSSCGKSA-N	-1	2	357.435	3.731	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@@]3(C)CCN(C(=O)[O-])C3)n2)cc1	ZINC000830150125	604185942	/nfs/dbraw/zinc/18/59/42/604185942.db2.gz	WDDNBSBDUWHHJT-LIRRHRJNSA-N	-1	2	369.446	3.685	20	30		FHEDLM
N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1nc2cc(Cl)ccc2s1	ZINC000831064552	604253978	/nfs/dbraw/zinc/25/39/78/604253978.db2.gz	JAAXYABDMISJNJ-SNVBAGLBSA-N	-1	2	363.826	3.706	20	30		FHEDLM
N#C[C@H](C(=O)CC1(NC(=O)[O-])CCC1)c1nc2cc(Cl)ccc2s1	ZINC000831064552	604253980	/nfs/dbraw/zinc/25/39/80/604253980.db2.gz	JAAXYABDMISJNJ-SNVBAGLBSA-N	-1	2	363.826	3.706	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)CCCN(C)C(=O)[O-])n2)cc1	ZINC000738488484	599912343	/nfs/dbraw/zinc/91/23/43/599912343.db2.gz	SBSPZNBCORPNSY-CQSZACIVSA-N	-1	2	357.435	3.685	20	30		FHEDLM
N#C[C@H](C(=O)CCCNC(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	ZINC000739074999	599799373	/nfs/dbraw/zinc/79/93/73/599799373.db2.gz	PFIPHMOWHBXEGL-GFCCVEGCSA-N	-1	2	363.826	3.688	20	30		FHEDLM
N#C[C@@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000739074454	600101185	/nfs/dbraw/zinc/10/11/85/600101185.db2.gz	JPFJDEQFQYVXLZ-AWEZNQCLSA-N	-1	2	368.389	3.943	20	30		FHEDLM
N#C[C@@H](C(=O)CCCCNC(=O)[O-])c1nc2cc(Cl)ccc2s1	ZINC000833959993	605909402	/nfs/dbraw/zinc/90/94/02/605909402.db2.gz	FHGPPWLWZWEDBT-JTQLQIEISA-N	-1	2	351.815	3.564	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCCN(C)C(=O)[O-])n2)cc1	ZINC000738488481	599912237	/nfs/dbraw/zinc/91/22/37/599912237.db2.gz	SBSPZNBCORPNSY-AWEZNQCLSA-N	-1	2	357.435	3.685	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)n2)cc1	ZINC000830149920	604224694	/nfs/dbraw/zinc/22/46/94/604224694.db2.gz	VTUNQUIYTRBDOS-RRFJBIMHSA-N	-1	2	369.446	3.731	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000739073483	599728533	/nfs/dbraw/zinc/72/85/33/599728533.db2.gz	CPJCOMVPOPEJHT-XTRMHUTNSA-N	-1	2	370.474	3.508	20	30		FHEDLM
N#C[C@@H](C(=O)CCCNC(=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	ZINC000739075000	599799470	/nfs/dbraw/zinc/79/94/70/599799470.db2.gz	PFIPHMOWHBXEGL-LBPRGKRZSA-N	-1	2	363.826	3.688	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCSCC(=O)[O-])n2)cc1	ZINC000738487785	599798994	/nfs/dbraw/zinc/79/89/94/599798994.db2.gz	DXUOBBIONWBPRC-ZDUSSCGKSA-N	-1	2	360.460	3.503	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)CC(C)(C)NC(=O)[O-])n2)cc1	ZINC000740095158	603161028	/nfs/dbraw/zinc/16/10/28/603161028.db2.gz	PUDCWEGNWJXXJL-CYBMUJFWSA-N	-1	2	357.435	3.731	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)CC(C)(C)NC(=O)[O-])n2)cc1	ZINC000740095158	603161031	/nfs/dbraw/zinc/16/10/31/603161031.db2.gz	PUDCWEGNWJXXJL-CYBMUJFWSA-N	-1	2	357.435	3.731	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)CC3(NC(=O)[O-])CCC3)n2)cc1	ZINC000830148984	604253866	/nfs/dbraw/zinc/25/38/66/604253866.db2.gz	MGPJEOJSIQNYBB-CQSZACIVSA-N	-1	2	369.446	3.875	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)CC3(NC(=O)[O-])CCC3)n2)cc1	ZINC000830148984	604253868	/nfs/dbraw/zinc/25/38/68/604253868.db2.gz	MGPJEOJSIQNYBB-CQSZACIVSA-N	-1	2	369.446	3.875	20	30		FHEDLM
N#C[C@H](C(=O)CCC1CCN(C(=O)[O-])CC1)c1nc2ccccc2s1	ZINC000833961619	606084640	/nfs/dbraw/zinc/08/46/40/606084640.db2.gz	SBXYUZVCADOPEH-CYBMUJFWSA-N	-1	2	357.435	3.643	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n1	ZINC000824476644	604159151	/nfs/dbraw/zinc/15/91/51/604159151.db2.gz	PQYYFVCUWUXSJT-WTUNAVPPSA-N	-1	2	361.467	3.754	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@]3(C)CCN(C(=O)[O-])C3)n2)cc1	ZINC000830150114	604185844	/nfs/dbraw/zinc/18/58/44/604185844.db2.gz	WDDNBSBDUWHHJT-AUUYWEPGSA-N	-1	2	369.446	3.685	20	30		FHEDLM
N#CC(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066738	604226136	/nfs/dbraw/zinc/22/61/36/604226136.db2.gz	YPKRGBRJGBVUKI-DVVUODLYSA-N	-1	2	363.826	3.562	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1nc2cc(Cl)ccc2s1	ZINC000831066738	604226138	/nfs/dbraw/zinc/22/61/38/604226138.db2.gz	YPKRGBRJGBVUKI-DVVUODLYSA-N	-1	2	363.826	3.562	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)n1	ZINC000824475947	605085981	/nfs/dbraw/zinc/08/59/81/605085981.db2.gz	DALDFLDQRNIHPO-GXTWGEPZSA-N	-1	2	363.483	3.859	20	30		FHEDLM
N#C[C@H](C(=O)CC[C@@H]1CCCN1C(=O)[O-])c1nc(-c2ccccc2)cs1	ZINC000833961059	605492361	/nfs/dbraw/zinc/49/23/61/605492361.db2.gz	NWGOKSVXEMBRCJ-LSDHHAIUSA-N	-1	2	369.446	3.909	20	30		FHEDLM
CSc1ccc([C@@H](CC(=O)[O-])/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000738199560	599842905	/nfs/dbraw/zinc/84/29/05/599842905.db2.gz	NVEGTURSEWASPP-BFERYNQYSA-N	-1	2	360.391	3.657	20	30		FHEDLM
N#C[C@@H](C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1nc2ccccc2s1	ZINC000831064697	604152963	/nfs/dbraw/zinc/15/29/63/604152963.db2.gz	LNJNEZUUFWTPHL-GSPSYOTPSA-N	-1	2	369.446	3.784	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)[C@]3(C)CCN(C(=O)[O-])C3)n2)cc1	ZINC000830150119	604185863	/nfs/dbraw/zinc/18/58/63/604185863.db2.gz	WDDNBSBDUWHHJT-IFXJQAMLSA-N	-1	2	369.446	3.685	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000824476255	604417862	/nfs/dbraw/zinc/41/78/62/604417862.db2.gz	JNIPYLRARKZKSA-MGPQQGTHSA-N	-1	2	363.483	3.859	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000739073478	599728639	/nfs/dbraw/zinc/72/86/39/599728639.db2.gz	CPJCOMVPOPEJHT-CESCIVPKSA-N	-1	2	370.474	3.508	20	30		FHEDLM
O=C([O-])CCSCc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1	ZINC000739751654	600057641	/nfs/dbraw/zinc/05/76/41/600057641.db2.gz	IHTTYELNWNGRMD-UHFFFAOYSA-N	-1	2	360.391	3.759	20	30		FHEDLM
N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2o1	ZINC000740304792	602671066	/nfs/dbraw/zinc/67/10/66/602671066.db2.gz	ZQMGCFDXGFPZMM-GJZGRUSLSA-N	-1	2	363.373	3.793	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])n1	ZINC000824476838	603441050	/nfs/dbraw/zinc/44/10/50/603441050.db2.gz	SUGCFFNGDMRODG-LSDHHAIUSA-N	-1	2	371.462	3.712	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000833064408	601237039	/nfs/dbraw/zinc/23/70/39/601237039.db2.gz	RRECDWRPVPNHSW-RBSFLKMASA-N	-1	2	354.431	3.877	20	30		FHEDLM
N#CC(C(=O)Cc1ccc(NC(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000740303515	602479765	/nfs/dbraw/zinc/47/97/65/602479765.db2.gz	KEKLZWLKVJSGEP-CYBMUJFWSA-N	-1	2	369.377	3.944	20	30		FHEDLM
N#C[C@H](C(=O)Cc1ccc(NC(=O)[O-])cc1)c1nc2cc(F)ccc2s1	ZINC000740303515	602479767	/nfs/dbraw/zinc/47/97/67/602479767.db2.gz	KEKLZWLKVJSGEP-CYBMUJFWSA-N	-1	2	369.377	3.944	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)C(C)(C)CNC(=O)[O-])n2)cc1	ZINC000830148943	603784190	/nfs/dbraw/zinc/78/41/90/603784190.db2.gz	LQWPEWPRIHUYBF-CYBMUJFWSA-N	-1	2	357.435	3.589	20	30		FHEDLM
Cc1ccc(-c2csc([C@H](C#N)C(=O)C(C)(C)CNC(=O)[O-])n2)cc1	ZINC000830148943	603784194	/nfs/dbraw/zinc/78/41/94/603784194.db2.gz	LQWPEWPRIHUYBF-CYBMUJFWSA-N	-1	2	357.435	3.589	20	30		FHEDLM
N#C[C@H](C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000831064333	604225152	/nfs/dbraw/zinc/22/51/52/604225152.db2.gz	FQWSYGYOXJUTSQ-QLFBSQMISA-N	-1	2	369.446	3.813	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000824476252	604417773	/nfs/dbraw/zinc/41/77/73/604417773.db2.gz	JNIPYLRARKZKSA-BFHYXJOUSA-N	-1	2	363.483	3.859	20	30		FHEDLM
CC(C)c1csc([C@@H](C#N)C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)n1	ZINC000824475948	605085844	/nfs/dbraw/zinc/08/58/44/605085844.db2.gz	DALDFLDQRNIHPO-JSGCOSHPSA-N	-1	2	363.483	3.859	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000824476253	604417819	/nfs/dbraw/zinc/41/78/19/604417819.db2.gz	JNIPYLRARKZKSA-HZSPNIEDSA-N	-1	2	363.483	3.859	20	30		FHEDLM
CC(C)c1csc([C@H](C#N)C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)n1	ZINC000824475950	605085961	/nfs/dbraw/zinc/08/59/61/605085961.db2.gz	DALDFLDQRNIHPO-TZMCWYRMSA-N	-1	2	363.483	3.859	20	30		FHEDLM
N#C[C@H](C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1nc(-c2ccccc2)cs1	ZINC000831064335	604225014	/nfs/dbraw/zinc/22/50/14/604225014.db2.gz	FQWSYGYOXJUTSQ-RRFJBIMHSA-N	-1	2	369.446	3.813	20	30		FHEDLM
Cc1ccc(-c2csc(C(C#N)C(=O)CC3(NC(=O)[O-])CCC3)n2)cc1	ZINC000830148982	604254008	/nfs/dbraw/zinc/25/40/08/604254008.db2.gz	MGPJEOJSIQNYBB-AWEZNQCLSA-N	-1	2	369.446	3.875	20	30		FHEDLM
Cc1ccc(-c2csc([C@@H](C#N)C(=O)CC3(NC(=O)[O-])CCC3)n2)cc1	ZINC000830148982	604254013	/nfs/dbraw/zinc/25/40/13/604254013.db2.gz	MGPJEOJSIQNYBB-AWEZNQCLSA-N	-1	2	369.446	3.875	20	30		FHEDLM