smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1	ZINC000245927429	729577451	/nfs/dbraw/zinc/57/74/51/729577451.db2.gz	IYIDDOLLTYRKEA-MELADBBJSA-N	0	2	372.222	2.878	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c(F)c1	ZINC000600984775	520574916	/nfs/dbraw/zinc/57/49/16/520574916.db2.gz	XHTONDBNDHQGFC-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000600984775	520574926	/nfs/dbraw/zinc/57/49/26/520574926.db2.gz	XHTONDBNDHQGFC-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983079	520572659	/nfs/dbraw/zinc/57/26/59/520572659.db2.gz	FXNZRETZPOQLJS-MOPGFXCFSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983079	520572664	/nfs/dbraw/zinc/57/26/64/520572664.db2.gz	FXNZRETZPOQLJS-MOPGFXCFSA-N	0	2	363.417	2.923	10	30		FFEELN
O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccc(F)cc1	ZINC000588577998	967567962	/nfs/dbraw/zinc/56/79/62/967567962.db2.gz	LVAGPEUKFJYPIR-HSGPEQJXSA-N	0	2	357.341	2.660	10	30		FFEELN
N#Cc1cc(F)ccc1S(=O)(=O)Nc1cnc(-c2cccc(O)c2)nc1	ZINC000132515939	251065036	/nfs/dbraw/zinc/06/50/36/251065036.db2.gz	VMWMNMGNZKMVCS-UHFFFAOYSA-N	0	2	370.365	2.661	10	30		FFEELN
CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1CC[NH+](C3CC3)CC1)C2	ZINC000329251144	512013907	/nfs/dbraw/zinc/01/39/07/512013907.db2.gz	XYFOPMFSEKOHJJ-OAHLLOKOSA-N	0	2	359.518	2.626	10	30		FFEELN
CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1CC[NH+](C3CC3)CC1)C2	ZINC000329251143	512013850	/nfs/dbraw/zinc/01/38/50/512013850.db2.gz	XYFOPMFSEKOHJJ-HNNXBMFYSA-N	0	2	359.518	2.626	10	30		FFEELN
N#Cc1ccc(N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)c(F)c1	ZINC000101675073	508253940	/nfs/dbraw/zinc/25/39/40/508253940.db2.gz	XYYMCWPSNBPWIM-UHFFFAOYSA-N	0	2	361.323	2.644	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000600984442	520574396	/nfs/dbraw/zinc/57/43/96/520574396.db2.gz	RAOCDWZCXIUNTR-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000600984442	520574403	/nfs/dbraw/zinc/57/44/03/520574403.db2.gz	RAOCDWZCXIUNTR-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
C#CCOc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1	ZINC000108250690	728520739	/nfs/dbraw/zinc/52/07/39/728520739.db2.gz	BNIWSZGHGYBOPO-UHFFFAOYSA-N	0	2	361.810	2.801	10	30		FFEELN
Cc1nnc(NN=Cc2sc(Nc3ccccc3)nc2Cl)[nH]c1=O	ZINC000008044977	204316999	/nfs/dbraw/zinc/31/69/99/204316999.db2.gz	QYXDQZMDXOZODO-FRKPEAEDSA-N	0	2	361.818	2.773	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983862	520572055	/nfs/dbraw/zinc/57/20/55/520572055.db2.gz	MCBCPYOMGZHVFW-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983862	520572065	/nfs/dbraw/zinc/57/20/65/520572065.db2.gz	MCBCPYOMGZHVFW-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984143	520574286	/nfs/dbraw/zinc/57/42/86/520574286.db2.gz	OWSMLEJJQHDJKF-MOPGFXCFSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984143	520574288	/nfs/dbraw/zinc/57/42/88/520574288.db2.gz	OWSMLEJJQHDJKF-MOPGFXCFSA-N	0	2	363.417	2.923	10	30		FFEELN
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1C[NH+]1CCOCC1	ZINC000005163186	204195453	/nfs/dbraw/zinc/19/54/53/204195453.db2.gz	QQWZYGAOBDPCBL-FYJGNVAPSA-N	0	2	369.421	2.672	10	30		FFEELN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1	ZINC000007850817	506595312	/nfs/dbraw/zinc/59/53/12/506595312.db2.gz	IGBDPDKUPVQQRN-LLVKDONJSA-N	0	2	357.357	2.808	10	30		FFEELN
C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1	ZINC000007850817	506595313	/nfs/dbraw/zinc/59/53/13/506595313.db2.gz	IGBDPDKUPVQQRN-LLVKDONJSA-N	0	2	357.357	2.808	10	30		FFEELN
C/C=C/C[C@H](C)C[C@H](C)C(=O)C1C(=O)N[C@H]([C@@H](O)c2ccc(O)cc2)C1=O	ZINC000031164665	263391056	/nfs/dbraw/zinc/39/10/56/263391056.db2.gz	ZVRPKHAPDKIXMT-XVJMRXLPSA-N	0	2	373.449	2.934	10	30		FFEELN
C=CCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H]1CCS(=O)(=O)C1	ZINC000129504441	508733618	/nfs/dbraw/zinc/73/36/18/508733618.db2.gz	ZQVIMUHOYVZLBR-VIFPVBQESA-N	0	2	364.250	2.514	10	30		FFEELN
C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)n2)C1	ZINC000329349576	512032154	/nfs/dbraw/zinc/03/21/54/512032154.db2.gz	DWACTEWJGKIKIG-GOEBONIOSA-N	0	2	363.531	2.701	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983082	520571777	/nfs/dbraw/zinc/57/17/77/520571777.db2.gz	FXNZRETZPOQLJS-RTBURBONSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983082	520571788	/nfs/dbraw/zinc/57/17/88/520571788.db2.gz	FXNZRETZPOQLJS-RTBURBONSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984146	520573984	/nfs/dbraw/zinc/57/39/84/520573984.db2.gz	OWSMLEJJQHDJKF-RTBURBONSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984146	520573989	/nfs/dbraw/zinc/57/39/89/520573989.db2.gz	OWSMLEJJQHDJKF-RTBURBONSA-N	0	2	363.417	2.923	10	30		FFEELN
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000075555612	508116606	/nfs/dbraw/zinc/11/66/06/508116606.db2.gz	UVWAPPSOTDOCIX-SSDOTTSWSA-N	0	2	350.165	2.866	10	30		FFEELN
C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccc(-n2ccnc2)c1	ZINC000329668620	512084935	/nfs/dbraw/zinc/08/49/35/512084935.db2.gz	SBRSAVQIGUPUQB-IAOVAPTHSA-N	0	2	353.426	2.898	10	30		FFEELN
C=CCCSCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600983868	520573071	/nfs/dbraw/zinc/57/30/71/520573071.db2.gz	MCPURUXSAZHOIH-IRXDYDNUSA-N	0	2	362.495	2.530	10	30		FFEELN
C=CCCSCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600983868	520573079	/nfs/dbraw/zinc/57/30/79/520573079.db2.gz	MCPURUXSAZHOIH-IRXDYDNUSA-N	0	2	362.495	2.530	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600984848	520574302	/nfs/dbraw/zinc/57/43/02/520574302.db2.gz	YWYCWAFWMCCZPK-OALUTQOASA-N	0	2	363.417	2.809	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600984848	520574314	/nfs/dbraw/zinc/57/43/14/520574314.db2.gz	YWYCWAFWMCCZPK-OALUTQOASA-N	0	2	363.417	2.809	10	30		FFEELN
O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1cccc(C(F)(F)F)c1	ZINC000007126440	207188454	/nfs/dbraw/zinc/18/84/54/207188454.db2.gz	RBLXOJIPLUTVIY-LLVKDONJSA-N	0	2	357.357	2.784	10	30		FFEELN
O=C(C[C@H]1S/C(=N\C2CC2)NC1=O)Nc1cccc(C(F)(F)F)c1	ZINC000007126440	207188457	/nfs/dbraw/zinc/18/84/57/207188457.db2.gz	RBLXOJIPLUTVIY-LLVKDONJSA-N	0	2	357.357	2.784	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983081	520572614	/nfs/dbraw/zinc/57/26/14/520572614.db2.gz	FXNZRETZPOQLJS-RBUKOAKNSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983081	520572623	/nfs/dbraw/zinc/57/26/23/520572623.db2.gz	FXNZRETZPOQLJS-RBUKOAKNSA-N	0	2	363.417	2.923	10	30		FFEELN
CCN1CCc2nc(NS(=O)(=O)c3cc(C#N)ccc3C)sc2C1	ZINC000114850007	508353673	/nfs/dbraw/zinc/35/36/73/508353673.db2.gz	DZAVPGIMWIZGRM-UHFFFAOYSA-N	0	2	362.480	2.502	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000600984440	520573632	/nfs/dbraw/zinc/57/36/32/520573632.db2.gz	RAOCDWZCXIUNTR-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000600984440	520573640	/nfs/dbraw/zinc/57/36/40/520573640.db2.gz	RAOCDWZCXIUNTR-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
CC[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)c1nc(C)cs1	ZINC000329669644	512084840	/nfs/dbraw/zinc/08/48/40/512084840.db2.gz	RLYGQXYXYRITJM-QLFBSQMISA-N	0	2	352.504	2.612	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600984847	520575205	/nfs/dbraw/zinc/57/52/05/520575205.db2.gz	YWYCWAFWMCCZPK-MOPGFXCFSA-N	0	2	363.417	2.809	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600984847	520575214	/nfs/dbraw/zinc/57/52/14/520575214.db2.gz	YWYCWAFWMCCZPK-MOPGFXCFSA-N	0	2	363.417	2.809	10	30		FFEELN
N#C[C@H](c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl	ZINC000000607777	210252401	/nfs/dbraw/zinc/25/24/01/210252401.db2.gz	QUUTUGLQZLNABV-CQSZACIVSA-N	0	2	373.199	2.883	10	30	in-man	FFEELN
CNC(=S)N=NCc1cc(Br)c(O)c(Br)c1	ZINC000097475186	222182659	/nfs/dbraw/zinc/18/26/59/222182659.db2.gz	NTJVOTHXYGNFPK-YIXHJXPBSA-N	0	2	367.066	2.756	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630659123	523011732	/nfs/dbraw/zinc/01/17/32/523011732.db2.gz	WDECMJGRJPSOKY-GJZGRUSLSA-N	0	2	370.371	2.681	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630659123	523011743	/nfs/dbraw/zinc/01/17/43/523011743.db2.gz	WDECMJGRJPSOKY-GJZGRUSLSA-N	0	2	370.371	2.681	10	30		FFEELN
N#Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000179096647	509261957	/nfs/dbraw/zinc/26/19/57/509261957.db2.gz	CTLFXTVAHWOOST-UHFFFAOYSA-N	0	2	369.362	2.657	10	30		FFEELN
Cn1c2ccccc2c2nnc(N=NCc3ccc(O)c([N+](=O)[O-])c3)nc21	ZINC000064981209	221161874	/nfs/dbraw/zinc/16/18/74/221161874.db2.gz	CELXDRFBUJPFFO-GIJQJNRQSA-N	0	2	363.337	2.576	10	30		FFEELN
Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cc(C#N)ccc2F)CCC[N@H+]1C	ZINC000286851041	257058404	/nfs/dbraw/zinc/05/84/04/257058404.db2.gz	VJBSTMLMDOPPLQ-OXJNMPFZSA-N	0	2	355.461	2.946	10	30		FFEELN
Cc1cc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)[nH+]1	ZINC000302395460	258100734	/nfs/dbraw/zinc/10/07/34/258100734.db2.gz	CVRSJWIYZXDZTP-OAQYLSRUSA-N	0	2	350.466	2.643	10	30		FFEELN
O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1ccc(Br)cc1	ZINC000007126186	506536947	/nfs/dbraw/zinc/53/69/47/506536947.db2.gz	FCKLYSRAZSTTFS-LLVKDONJSA-N	0	2	368.256	2.528	10	30		FFEELN
O=C(C[C@H]1S/C(=N\C2CC2)NC1=O)Nc1ccc(Br)cc1	ZINC000007126186	506536948	/nfs/dbraw/zinc/53/69/48/506536948.db2.gz	FCKLYSRAZSTTFS-LLVKDONJSA-N	0	2	368.256	2.528	10	30		FFEELN
Cc1csc([C@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)n1	ZINC000329669174	512084843	/nfs/dbraw/zinc/08/48/43/512084843.db2.gz	MFMAMBWOZYZUAV-KBPBESRZSA-N	0	2	360.487	2.784	10	30		FFEELN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	ZINC000122657017	728650144	/nfs/dbraw/zinc/65/01/44/728650144.db2.gz	IYIDDOLLTYRKEA-HZSPNIEDSA-N	0	2	372.222	2.878	10	30		FFEELN
C=CCN1C(=O)N/C(=C\c2cc(Cl)c(O)c(Br)c2)C1=O	ZINC000104981825	222363758	/nfs/dbraw/zinc/36/37/58/222363758.db2.gz	CWYSWYSNVQJYLI-POHAHGRESA-N	0	2	357.591	2.887	10	30		FFEELN
C#CCOc1cccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c1	ZINC000108250318	728520502	/nfs/dbraw/zinc/52/05/02/728520502.db2.gz	DPSAXBFSJGFEFI-UHFFFAOYSA-N	0	2	361.810	2.801	10	30		FFEELN
CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1)CCO2	ZINC000583622953	519346404	/nfs/dbraw/zinc/34/64/04/519346404.db2.gz	LSBJAIOLZNWGEL-XOBRGWDASA-N	0	2	361.405	2.955	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000600984441	520573661	/nfs/dbraw/zinc/57/36/61/520573661.db2.gz	RAOCDWZCXIUNTR-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000600984441	520573669	/nfs/dbraw/zinc/57/36/69/520573669.db2.gz	RAOCDWZCXIUNTR-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000600984585	520575285	/nfs/dbraw/zinc/57/52/85/520575285.db2.gz	RTTSXKWKGKSNNG-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000600984585	520575287	/nfs/dbraw/zinc/57/52/87/520575287.db2.gz	RTTSXKWKGKSNNG-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1	ZINC000329336900	512029591	/nfs/dbraw/zinc/02/95/91/512029591.db2.gz	PLKVFXIPIIIRTL-JKSUJKDBSA-N	0	2	361.534	2.683	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c(F)c1	ZINC000600984773	520575126	/nfs/dbraw/zinc/57/51/26/520575126.db2.gz	XHTONDBNDHQGFC-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000600984773	520575128	/nfs/dbraw/zinc/57/51/28/520575128.db2.gz	XHTONDBNDHQGFC-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000123147069	728655793	/nfs/dbraw/zinc/65/57/93/728655793.db2.gz	JATIMCVBCAYIAA-HZSPNIEDSA-N	0	2	372.222	2.878	10	30		FFEELN
CC[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)c1nc(C)cs1	ZINC000329669645	512084739	/nfs/dbraw/zinc/08/47/39/512084739.db2.gz	RLYGQXYXYRITJM-RBSFLKMASA-N	0	2	352.504	2.612	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630659122	523013342	/nfs/dbraw/zinc/01/33/42/523013342.db2.gz	WDECMJGRJPSOKY-CABCVRRESA-N	0	2	370.371	2.681	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630659122	523013351	/nfs/dbraw/zinc/01/33/51/523013351.db2.gz	WDECMJGRJPSOKY-CABCVRRESA-N	0	2	370.371	2.681	10	30		FFEELN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	ZINC000245927521	729577358	/nfs/dbraw/zinc/57/73/58/729577358.db2.gz	JATIMCVBCAYIAA-MELADBBJSA-N	0	2	372.222	2.878	10	30		FFEELN
N#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CC1	ZINC000108834554	507921243	/nfs/dbraw/zinc/92/12/43/507921243.db2.gz	UQDJAIUOMYACPL-AWEZNQCLSA-N	0	2	361.448	2.581	10	30		FFEELN
CO[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(Cl)cc1	ZINC000329666194	512084886	/nfs/dbraw/zinc/08/48/86/512084886.db2.gz	RDEMJMCYGWXBAA-RBSFLKMASA-N	0	2	351.834	2.992	10	30		FFEELN
O=C(CSc1nnc(N[NH+]=Cc2ccc(O)cc2)[n-]1)c1ccccc1	ZINC000020509031	527050303	/nfs/dbraw/zinc/05/03/03/527050303.db2.gz	DXDIJGDUVPXJDT-VCHYOVAHSA-N	0	2	353.407	2.931	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984144	520574353	/nfs/dbraw/zinc/57/43/53/520574353.db2.gz	OWSMLEJJQHDJKF-OALUTQOASA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984144	520574360	/nfs/dbraw/zinc/57/43/60/520574360.db2.gz	OWSMLEJJQHDJKF-OALUTQOASA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1csc(C(C#N)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1	ZINC000245673268	729574090	/nfs/dbraw/zinc/57/40/90/729574090.db2.gz	SNDMNZWABLPMHK-LZWOXQAQSA-N	0	2	357.410	2.987	10	30		FFEELN
C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000190482093	510155741	/nfs/dbraw/zinc/15/57/41/510155741.db2.gz	PFPRBHMQHJUBQR-IBGZPJMESA-N	0	2	360.465	2.555	10	30		FFEELN
Cc1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1	ZINC000136092677	728739309	/nfs/dbraw/zinc/73/93/09/728739309.db2.gz	SNDMNZWABLPMHK-IIAWOOMASA-N	0	2	357.410	2.987	10	30		FFEELN
C=CCc1ccc(NC(=O)COC)c(C(=O)c2ccc(OC)cc2)c1O	ZINC000222921309	509325646	/nfs/dbraw/zinc/32/56/46/509325646.db2.gz	YCESRYMHIHDSSK-UHFFFAOYSA-N	0	2	355.390	2.945	10	30		FFEELN
C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)n2)C1	ZINC000329349574	512031682	/nfs/dbraw/zinc/03/16/82/512031682.db2.gz	DWACTEWJGKIKIG-GDBMZVCRSA-N	0	2	363.531	2.701	10	30		FFEELN
N#Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000600984588	520573785	/nfs/dbraw/zinc/57/37/85/520573785.db2.gz	RTTSXKWKGKSNNG-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000600984588	520573798	/nfs/dbraw/zinc/57/37/98/520573798.db2.gz	RTTSXKWKGKSNNG-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c(F)c1	ZINC000600984774	520573834	/nfs/dbraw/zinc/57/38/34/520573834.db2.gz	XHTONDBNDHQGFC-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000600984774	520573841	/nfs/dbraw/zinc/57/38/41/520573841.db2.gz	XHTONDBNDHQGFC-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000600984587	520574252	/nfs/dbraw/zinc/57/42/52/520574252.db2.gz	RTTSXKWKGKSNNG-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000600984587	520574259	/nfs/dbraw/zinc/57/42/59/520574259.db2.gz	RTTSXKWKGKSNNG-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1	ZINC000329336898	512028956	/nfs/dbraw/zinc/02/89/56/512028956.db2.gz	PLKVFXIPIIIRTL-HOTGVXAUSA-N	0	2	361.534	2.683	10	30		FFEELN
COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)CC[N@H+]2C2CC2)c1	ZINC000329035222	965961935	/nfs/dbraw/zinc/96/19/35/965961935.db2.gz	MPTYITZKCOFUKM-LWYYNNOASA-N	0	2	373.497	2.649	10	30		FFEELN
N#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CC1	ZINC000108834556	507921251	/nfs/dbraw/zinc/92/12/51/507921251.db2.gz	UQDJAIUOMYACPL-CQSZACIVSA-N	0	2	361.448	2.581	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c(F)c1	ZINC000600984776	520574639	/nfs/dbraw/zinc/57/46/39/520574639.db2.gz	XHTONDBNDHQGFC-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000600984776	520574646	/nfs/dbraw/zinc/57/46/46/520574646.db2.gz	XHTONDBNDHQGFC-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
O=C(CN1C(=O)/C(=N/O)c2cc(Br)ccc21)Nc1ccccc1	ZINC000004754283	206180827	/nfs/dbraw/zinc/18/08/27/206180827.db2.gz	PRBKLGCUOGRZKW-XDJHFCHBSA-N	0	2	374.194	2.613	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984145	520574888	/nfs/dbraw/zinc/57/48/88/520574888.db2.gz	OWSMLEJJQHDJKF-RBUKOAKNSA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984145	520574893	/nfs/dbraw/zinc/57/48/93/520574893.db2.gz	OWSMLEJJQHDJKF-RBUKOAKNSA-N	0	2	363.417	2.923	10	30		FFEELN
C=CCCSCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600983866	520572570	/nfs/dbraw/zinc/57/25/70/520572570.db2.gz	MCPURUXSAZHOIH-DLBZAZTESA-N	0	2	362.495	2.530	10	30		FFEELN
C=CCCSCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600983866	520572575	/nfs/dbraw/zinc/57/25/75/520572575.db2.gz	MCPURUXSAZHOIH-DLBZAZTESA-N	0	2	362.495	2.530	10	30		FFEELN
CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@@H+]3CCCC[C@H]3C1)C2	ZINC000329300750	512022596	/nfs/dbraw/zinc/02/25/96/512022596.db2.gz	VNARRAWLDVQRRT-HOTGVXAUSA-N	0	2	359.518	2.580	10	30		FFEELN
CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@H+]3CCCC[C@H]3C1)C2	ZINC000329300750	512022601	/nfs/dbraw/zinc/02/26/01/512022601.db2.gz	VNARRAWLDVQRRT-HOTGVXAUSA-N	0	2	359.518	2.580	10	30		FFEELN
C=CCCSCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600983869	520572708	/nfs/dbraw/zinc/57/27/08/520572708.db2.gz	MCPURUXSAZHOIH-SJORKVTESA-N	0	2	362.495	2.530	10	30		FFEELN
C=CCCSCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600983869	520572714	/nfs/dbraw/zinc/57/27/14/520572714.db2.gz	MCPURUXSAZHOIH-SJORKVTESA-N	0	2	362.495	2.530	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983080	520572722	/nfs/dbraw/zinc/57/27/22/520572722.db2.gz	FXNZRETZPOQLJS-OALUTQOASA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983080	520572726	/nfs/dbraw/zinc/57/27/26/520572726.db2.gz	FXNZRETZPOQLJS-OALUTQOASA-N	0	2	363.417	2.923	10	30		FFEELN
Cc1ccc2c(c1)C(O)=C(C(=O)NCC(=O)OC(C)(C)C)C(=O)C2(C)C	ZINC000116709928	508549948	/nfs/dbraw/zinc/54/99/48/508549948.db2.gz	IDOVIEAENJXKPY-UHFFFAOYSA-N	0	2	359.422	2.582	10	30		FFEELN
C=CCCSCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600983867	520572111	/nfs/dbraw/zinc/57/21/11/520572111.db2.gz	MCPURUXSAZHOIH-IAGOWNOFSA-N	0	2	362.495	2.530	10	30		FFEELN
C=CCCSCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600983867	520572116	/nfs/dbraw/zinc/57/21/16/520572116.db2.gz	MCPURUXSAZHOIH-IAGOWNOFSA-N	0	2	362.495	2.530	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983864	520572796	/nfs/dbraw/zinc/57/27/96/520572796.db2.gz	MCBCPYOMGZHVFW-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983864	520572801	/nfs/dbraw/zinc/57/28/01/520572801.db2.gz	MCBCPYOMGZHVFW-ROUUACIJSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2nc3c(s2)COCC3)c1	ZINC000186423774	509703226	/nfs/dbraw/zinc/70/32/26/509703226.db2.gz	VHXJZRMUKMTSCT-UHFFFAOYSA-N	0	2	355.828	2.542	10	30		FFEELN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)C2)nn1	ZINC000329667525	512084812	/nfs/dbraw/zinc/08/48/12/512084812.db2.gz	LNBUYLQKRXBDBA-JKSUJKDBSA-N	0	2	369.473	2.618	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600984850	520574819	/nfs/dbraw/zinc/57/48/19/520574819.db2.gz	YWYCWAFWMCCZPK-RTBURBONSA-N	0	2	363.417	2.809	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600984850	520574826	/nfs/dbraw/zinc/57/48/26/520574826.db2.gz	YWYCWAFWMCCZPK-RTBURBONSA-N	0	2	363.417	2.809	10	30		FFEELN
C=CCn1c(=O)c2ccc(C(=O)NCC[C@H]3CCCO3)cc2[nH]c1=S	ZINC000106063964	845622356	/nfs/dbraw/zinc/62/23/56/845622356.db2.gz	CFORFGLWEJOWNT-CYBMUJFWSA-N	0	2	359.451	2.544	10	30		FFEELN
Cc1cnn(-c2ccncc2NS(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000186471352	509725092	/nfs/dbraw/zinc/72/50/92/509725092.db2.gz	IKVHKXREVGASCW-UHFFFAOYSA-N	0	2	373.825	2.902	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983865	520573190	/nfs/dbraw/zinc/57/31/90/520573190.db2.gz	MCBCPYOMGZHVFW-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983865	520573194	/nfs/dbraw/zinc/57/31/94/520573194.db2.gz	MCBCPYOMGZHVFW-ZWKOTPCHSA-N	0	2	367.380	2.754	10	30		FFEELN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	ZINC000122656660	728650101	/nfs/dbraw/zinc/65/01/01/728650101.db2.gz	IYIDDOLLTYRKEA-MGPQQGTHSA-N	0	2	372.222	2.878	10	30		FFEELN
Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1C)CCC2	ZINC000328651258	511907668	/nfs/dbraw/zinc/90/76/68/511907668.db2.gz	BKOCJUBBOIPWBP-IRXDYDNUSA-N	0	2	356.474	2.652	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600984849	520573612	/nfs/dbraw/zinc/57/36/12/520573612.db2.gz	YWYCWAFWMCCZPK-RBUKOAKNSA-N	0	2	363.417	2.809	10	30		FFEELN
N#CCc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600984849	520573615	/nfs/dbraw/zinc/57/36/15/520573615.db2.gz	YWYCWAFWMCCZPK-RBUKOAKNSA-N	0	2	363.417	2.809	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000600984439	520574939	/nfs/dbraw/zinc/57/49/39/520574939.db2.gz	RAOCDWZCXIUNTR-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000600984439	520574948	/nfs/dbraw/zinc/57/49/48/520574948.db2.gz	RAOCDWZCXIUNTR-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
N#C[C@@H](c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl	ZINC000001853032	210372657	/nfs/dbraw/zinc/37/26/57/210372657.db2.gz	QUUTUGLQZLNABV-AWEZNQCLSA-N	0	2	373.199	2.883	10	30	in-man	FFEELN
Cc1c(Cl)cccc1NN=C1C(=O)N(C(N)=S)N=C1c1ccccc1	ZINC000100108481	222235988	/nfs/dbraw/zinc/23/59/88/222235988.db2.gz	MWJFPFKEKWZSFU-QNGOZBTKSA-N	0	2	371.853	2.906	10	30		FFEELN
Cc1csc([C@@H](C)NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)n1	ZINC000329669176	512084627	/nfs/dbraw/zinc/08/46/27/512084627.db2.gz	MFMAMBWOZYZUAV-KGLIPLIRSA-N	0	2	360.487	2.784	10	30		FFEELN
N#Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000600984586	520575150	/nfs/dbraw/zinc/57/51/50/520575150.db2.gz	RTTSXKWKGKSNNG-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000600984586	520575158	/nfs/dbraw/zinc/57/51/58/520575158.db2.gz	RTTSXKWKGKSNNG-QZTJIDSGSA-N	0	2	367.380	2.754	10	30		FFEELN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1	ZINC000007850814	506595256	/nfs/dbraw/zinc/59/52/56/506595256.db2.gz	IGBDPDKUPVQQRN-NSHDSACASA-N	0	2	357.357	2.808	10	30		FFEELN
C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1	ZINC000007850814	506595261	/nfs/dbraw/zinc/59/52/61/506595261.db2.gz	IGBDPDKUPVQQRN-NSHDSACASA-N	0	2	357.357	2.808	10	30		FFEELN
N#Cc1cc(F)c(S(=O)(=O)Nc2cccc(-c3ncon3)c2)c(F)c1	ZINC000129707013	508756804	/nfs/dbraw/zinc/75/68/04/508756804.db2.gz	MPFFUECZBHZLII-UHFFFAOYSA-N	0	2	362.317	2.687	10	30		FFEELN
CO[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(Cl)cc1	ZINC000329666192	512084948	/nfs/dbraw/zinc/08/49/48/512084948.db2.gz	RDEMJMCYGWXBAA-KFWWJZLASA-N	0	2	351.834	2.992	10	30		FFEELN
O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1cccc(C(F)(F)F)c1	ZINC000007126450	506537204	/nfs/dbraw/zinc/53/72/04/506537204.db2.gz	RBLXOJIPLUTVIY-NSHDSACASA-N	0	2	357.357	2.784	10	30		FFEELN
O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1cccc(C(F)(F)F)c1	ZINC000007126450	506537213	/nfs/dbraw/zinc/53/72/13/506537213.db2.gz	RBLXOJIPLUTVIY-NSHDSACASA-N	0	2	357.357	2.784	10	30		FFEELN
C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)C1	ZINC000329349578	512031919	/nfs/dbraw/zinc/03/19/19/512031919.db2.gz	DWACTEWJGKIKIG-ZBFHGGJFSA-N	0	2	363.531	2.701	10	30		FFEELN
C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)C1	ZINC000329349577	512032407	/nfs/dbraw/zinc/03/24/07/512032407.db2.gz	DWACTEWJGKIKIG-HOCLYGCPSA-N	0	2	363.531	2.701	10	30		FFEELN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000123146619	728655750	/nfs/dbraw/zinc/65/57/50/728655750.db2.gz	JATIMCVBCAYIAA-MGPQQGTHSA-N	0	2	372.222	2.878	10	30		FFEELN
COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)CC[N@H+]2C2CC2)c1	ZINC000329035223	965961564	/nfs/dbraw/zinc/96/15/64/965961564.db2.gz	MPTYITZKCOFUKM-ZGXWSNOMSA-N	0	2	373.497	2.649	10	30		FFEELN
Cc1ccc2[nH]c3nc(N=NCc4ccc(O)c([N+](=O)[O-])c4)nnc3c2c1	ZINC000064981214	221161632	/nfs/dbraw/zinc/16/16/32/221161632.db2.gz	PVRCUHGRBPFVPZ-QGMBQPNBSA-N	0	2	363.337	2.874	10	30		FFEELN
C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000006798447	132371371	/nfs/dbraw/zinc/37/13/71/132371371.db2.gz	BDZSDWZWYHHJJE-AQTBWJFISA-N	0	2	360.369	2.673	10	30		FFEELN
C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1	ZINC000190482116	510156062	/nfs/dbraw/zinc/15/60/62/510156062.db2.gz	PFPRBHMQHJUBQR-LJQANCHMSA-N	0	2	360.465	2.555	10	30		FFEELN
Cc1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1	ZINC000245672559	729574065	/nfs/dbraw/zinc/57/40/65/729574065.db2.gz	SNDMNZWABLPMHK-FMKPAKJESA-N	0	2	357.410	2.987	10	30		FFEELN
O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1ccc(Br)cc1	ZINC000007126194	506536881	/nfs/dbraw/zinc/53/68/81/506536881.db2.gz	FCKLYSRAZSTTFS-NSHDSACASA-N	0	2	368.256	2.528	10	30		FFEELN
O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1ccc(Br)cc1	ZINC000007126194	506536873	/nfs/dbraw/zinc/53/68/73/506536873.db2.gz	FCKLYSRAZSTTFS-NSHDSACASA-N	0	2	368.256	2.528	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000600983861	520571923	/nfs/dbraw/zinc/57/19/23/520571923.db2.gz	MCBCPYOMGZHVFW-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000600983861	520571932	/nfs/dbraw/zinc/57/19/32/520571932.db2.gz	MCBCPYOMGZHVFW-MSOLQXFVSA-N	0	2	367.380	2.754	10	30		FFEELN
C=CCOc1cccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[nH]2)c1	ZINC000034764689	519052028	/nfs/dbraw/zinc/05/20/28/519052028.db2.gz	CRYVJOJCIZVBJV-UHFFFAOYSA-N	0	2	370.453	2.904	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630659125	523011931	/nfs/dbraw/zinc/01/19/31/523011931.db2.gz	WDECMJGRJPSOKY-LSDHHAIUSA-N	0	2	370.371	2.681	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630659125	523011943	/nfs/dbraw/zinc/01/19/43/523011943.db2.gz	WDECMJGRJPSOKY-LSDHHAIUSA-N	0	2	370.371	2.681	10	30		FFEELN
O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CCN1Cc1ccc(F)cc1	ZINC000588577999	967567836	/nfs/dbraw/zinc/56/78/36/967567836.db2.gz	LVAGPEUKFJYPIR-OBLBUWMUSA-N	0	2	357.341	2.660	10	30		FFEELN
Cc1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)[nH+]1	ZINC000302395458	258100680	/nfs/dbraw/zinc/10/06/80/258100680.db2.gz	CVRSJWIYZXDZTP-NRFANRHFSA-N	0	2	350.466	2.643	10	30		FFEELN
C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1	ZINC000159941269	508915152	/nfs/dbraw/zinc/91/51/52/508915152.db2.gz	ZVHBMJOUQXRJPU-UHFFFAOYSA-N	0	2	356.901	2.984	10	30		FFEELN
O=c1[nH][nH]c(=O)c2c(N=Cc3cc(Cl)cc(Cl)c3O)cccc12	ZINC000254746940	509909049	/nfs/dbraw/zinc/90/90/49/509909049.db2.gz	NVVGACJMLPPTKE-UHFFFAOYSA-N	0	2	350.161	2.979	10	30		FFEELN
Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@@H]1Cn1cc[nH+]c1C)CCC2	ZINC000328651257	511907553	/nfs/dbraw/zinc/90/75/53/511907553.db2.gz	BKOCJUBBOIPWBP-DLBZAZTESA-N	0	2	356.474	2.652	10	30		FFEELN
C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1cccc(-n2ccnc2)c1	ZINC000329668621	512084530	/nfs/dbraw/zinc/08/45/30/512084530.db2.gz	SBRSAVQIGUPUQB-KBRIMQKVSA-N	0	2	353.426	2.898	10	30		FFEELN
C=CCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H]1CCS(=O)(=O)C1	ZINC000129504233	508733639	/nfs/dbraw/zinc/73/36/39/508733639.db2.gz	ZQVIMUHOYVZLBR-SECBINFHSA-N	0	2	364.250	2.514	10	30		FFEELN
CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@@H+]3CCCC[C@@H]3C1)C2	ZINC000329300751	512022702	/nfs/dbraw/zinc/02/27/02/512022702.db2.gz	VNARRAWLDVQRRT-JKSUJKDBSA-N	0	2	359.518	2.580	10	30		FFEELN
CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@H+]3CCCC[C@@H]3C1)C2	ZINC000329300751	512022704	/nfs/dbraw/zinc/02/27/04/512022704.db2.gz	VNARRAWLDVQRRT-JKSUJKDBSA-N	0	2	359.518	2.580	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630659124	523012683	/nfs/dbraw/zinc/01/26/83/523012683.db2.gz	WDECMJGRJPSOKY-HUUCEWRRSA-N	0	2	370.371	2.681	10	30		FFEELN
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630659124	523012691	/nfs/dbraw/zinc/01/26/91/523012691.db2.gz	WDECMJGRJPSOKY-HUUCEWRRSA-N	0	2	370.371	2.681	10	30		FFEELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3C)sc2C1	ZINC000172674783	510841602	/nfs/dbraw/zinc/84/16/02/510841602.db2.gz	CETNUKLEDFCWSM-UHFFFAOYSA-N	0	2	362.480	2.502	10	30		FFEELN
Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3c3ncc[nH]3)C2)nn1	ZINC000329667524	512084481	/nfs/dbraw/zinc/08/44/81/512084481.db2.gz	LNBUYLQKRXBDBA-HOTGVXAUSA-N	0	2	369.473	2.618	10	30		FFEELN