smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(C)n1	ZINC000216849612	257232786	/nfs/dbraw/zinc/23/27/86/257232786.db2.gz	HIYBIZDQUORRQU-UHFFFAOYSA-N	1	1	313.405	2.289	40	70		DEIBMO
CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216909458	402289937	/nfs/dbraw/zinc/28/99/37/402289937.db2.gz	PCGBPYREZADQOJ-ZDUSSCGKSA-N	1	1	303.406	2.107	40	70		DEIBMO
Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216914370	402290112	/nfs/dbraw/zinc/29/01/12/402290112.db2.gz	KUAJQPAVPGJFLP-INIZCTEOSA-N	1	1	312.417	2.139	40	70		DEIBMO
COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1OC	ZINC000216914706	402289952	/nfs/dbraw/zinc/28/99/52/402289952.db2.gz	BGLWDBPPYGQJSG-GXTWGEPZSA-N	1	1	306.406	2.223	40	70		DEIBMO
Cc1nc(Nc2ccccc2F)cc(N2CC[NH+](C)CC2)n1	ZINC000216848768	402289930	/nfs/dbraw/zinc/28/99/30/402289930.db2.gz	MXGUFRJRFRGLNO-UHFFFAOYSA-N	1	1	301.369	2.420	40	70		DEIBMO
Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216914342	402290305	/nfs/dbraw/zinc/29/03/05/402290305.db2.gz	KUAJQPAVPGJFLP-MRXNPFEDSA-N	1	1	312.417	2.139	40	70		DEIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1	ZINC000216915576	402290382	/nfs/dbraw/zinc/29/03/82/402290382.db2.gz	BFRIEMRXMSBBLM-CYBMUJFWSA-N	1	1	301.390	2.094	40	70		DEIBMO
C[N@H+]1CCC[C@H](c2nc(CCCNC(=O)OC(C)(C)C)no2)C1	ZINC000218377402	257131054	/nfs/dbraw/zinc/13/10/54/257131054.db2.gz	HJRIMOADGAKPHG-LBPRGKRZSA-N	1	1	324.425	2.336	40	70		DEIBMO
C[N@@H+]1CCC[C@H]1c1nc(CCCNC(=O)OC(C)(C)C)no1	ZINC000218378229	257131088	/nfs/dbraw/zinc/13/10/88/257131088.db2.gz	KKWSQRDGPFBALP-NSHDSACASA-N	1	1	310.398	2.294	40	70		DEIBMO
C[N@H+]1CCC[C@H]1c1nc(CCCNC(=O)OC(C)(C)C)no1	ZINC000218378229	257131089	/nfs/dbraw/zinc/13/10/89/257131089.db2.gz	KKWSQRDGPFBALP-NSHDSACASA-N	1	1	310.398	2.294	40	70		DEIBMO
Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1N1CCCC1=O	ZINC000216918221	402289982	/nfs/dbraw/zinc/28/99/82/402289982.db2.gz	ZKVPKPFNXJXWFJ-AWEZNQCLSA-N	1	1	315.417	2.402	40	70		DEIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)C1	ZINC000216907982	402290254	/nfs/dbraw/zinc/29/02/54/402290254.db2.gz	MDYUWFCVILHVKX-CQSZACIVSA-N	1	1	315.417	2.203	40	70		DEIBMO
CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216907829	402289893	/nfs/dbraw/zinc/28/98/93/402289893.db2.gz	YFVCWHPKZVKKMJ-CYBMUJFWSA-N	1	1	303.406	2.105	40	70		DEIBMO
Cc1nc(Nc2cccc(F)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216848810	402289922	/nfs/dbraw/zinc/28/99/22/402289922.db2.gz	NERLAMJXLLIPGB-UHFFFAOYSA-N	1	1	301.369	2.420	40	70		DEIBMO
COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1OC	ZINC000216914731	402289928	/nfs/dbraw/zinc/28/99/28/402289928.db2.gz	BGLWDBPPYGQJSG-OCCSQVGLSA-N	1	1	306.406	2.223	40	70		DEIBMO
CCOc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1	ZINC000216847428	402289874	/nfs/dbraw/zinc/28/98/74/402289874.db2.gz	PPCSOGPOFCUSHN-UHFFFAOYSA-N	1	1	313.405	2.371	40	70		DEIBMO
CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216907860	402289995	/nfs/dbraw/zinc/28/99/95/402289995.db2.gz	YFVCWHPKZVKKMJ-ZDUSSCGKSA-N	1	1	303.406	2.105	40	70		DEIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1	ZINC000216915601	402290180	/nfs/dbraw/zinc/29/01/80/402290180.db2.gz	BFRIEMRXMSBBLM-ZDUSSCGKSA-N	1	1	301.390	2.094	40	70		DEIBMO
CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000216913180	402290371	/nfs/dbraw/zinc/29/03/71/402290371.db2.gz	MMDHOJWWASUQBK-AWEZNQCLSA-N	1	1	304.390	2.452	40	70		DEIBMO
CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216909431	402290398	/nfs/dbraw/zinc/29/03/98/402290398.db2.gz	PCGBPYREZADQOJ-CYBMUJFWSA-N	1	1	303.406	2.107	40	70		DEIBMO
CCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216912915	201504527	/nfs/dbraw/zinc/50/45/27/201504527.db2.gz	PETICTLRTGSLIV-MRXNPFEDSA-N	1	1	304.434	2.476	40	70		DEIBMO
CC(=O)c1cccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)c1	ZINC000216847996	402289963	/nfs/dbraw/zinc/28/99/63/402289963.db2.gz	FBOULXIHBUQOEE-UHFFFAOYSA-N	1	1	311.389	2.175	40	70		DEIBMO
CCOc1ccccc1Nc1cc(N2CC[NH+](C)CC2)ncn1	ZINC000216847382	402290240	/nfs/dbraw/zinc/29/02/40/402290240.db2.gz	ANSHGEUMBAXXES-UHFFFAOYSA-N	1	1	313.405	2.371	40	70		DEIBMO
CCSc1ccccc1C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217036729	402290658	/nfs/dbraw/zinc/29/06/58/402290658.db2.gz	JBBXSPAHJLRDDD-UHFFFAOYSA-N	1	1	321.490	2.166	40	70		DEIBMO
C[NH+]1CCN(c2cc(Nc3ccc(F)cc3F)ncn2)CC1	ZINC000216847056	402290211	/nfs/dbraw/zinc/29/02/11/402290211.db2.gz	AUHHWBGETYSJCR-UHFFFAOYSA-N	1	1	305.332	2.250	40	70		DEIBMO
COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1OC	ZINC000216914675	402290233	/nfs/dbraw/zinc/29/02/33/402290233.db2.gz	BGLWDBPPYGQJSG-TZMCWYRMSA-N	1	1	306.406	2.223	40	70		DEIBMO
COc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)ccc1OC(C)C	ZINC000216911720	402290247	/nfs/dbraw/zinc/29/02/47/402290247.db2.gz	UHKKDKRCBMJVQP-OAHLLOKOSA-N	1	1	320.433	2.440	40	70		DEIBMO
CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1C	ZINC000216913098	402289899	/nfs/dbraw/zinc/28/98/99/402289899.db2.gz	LIXLOBMSQZCAOQ-CYBMUJFWSA-N	1	1	304.390	2.452	40	70		DEIBMO
COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1OC	ZINC000216914756	402289972	/nfs/dbraw/zinc/28/99/72/402289972.db2.gz	BGLWDBPPYGQJSG-JSGCOSHPSA-N	1	1	306.406	2.223	40	70		DEIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)C1	ZINC000216908014	402290017	/nfs/dbraw/zinc/29/00/17/402290017.db2.gz	MDYUWFCVILHVKX-AWEZNQCLSA-N	1	1	315.417	2.203	40	70		DEIBMO
CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216909502	402290057	/nfs/dbraw/zinc/29/00/57/402290057.db2.gz	XHSMOMBCUKSPNH-CQSZACIVSA-N	1	1	317.433	2.497	40	70		DEIBMO
C[N@@H+]1CCC[C@@H]1c1nc(CCCNC(=O)OC(C)(C)C)no1	ZINC000218378152	257130714	/nfs/dbraw/zinc/13/07/14/257130714.db2.gz	KKWSQRDGPFBALP-LLVKDONJSA-N	1	1	310.398	2.294	40	70		DEIBMO
C[N@H+]1CCC[C@@H]1c1nc(CCCNC(=O)OC(C)(C)C)no1	ZINC000218378152	257130715	/nfs/dbraw/zinc/13/07/15/257130715.db2.gz	KKWSQRDGPFBALP-LLVKDONJSA-N	1	1	310.398	2.294	40	70		DEIBMO
Cc1nc(Nc2ccc(F)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216848853	402289974	/nfs/dbraw/zinc/28/99/74/402289974.db2.gz	KCNRBVABYZYXPZ-UHFFFAOYSA-N	1	1	301.369	2.420	40	70		DEIBMO
COc1ccc(C)cc1Nc1cc(N2CC[NH+](C)CC2)ncn1	ZINC000216847674	402290223	/nfs/dbraw/zinc/29/02/23/402290223.db2.gz	YFLIMTBKNGGZTE-UHFFFAOYSA-N	1	1	313.405	2.289	40	70		DEIBMO
CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000216913161	402289960	/nfs/dbraw/zinc/28/99/60/402289960.db2.gz	MMDHOJWWASUQBK-CQSZACIVSA-N	1	1	304.390	2.452	40	70		DEIBMO
CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1C	ZINC000216913122	402290144	/nfs/dbraw/zinc/29/01/44/402290144.db2.gz	LIXLOBMSQZCAOQ-ZDUSSCGKSA-N	1	1	304.390	2.452	40	70		DEIBMO
C[N@H+]1CCC[C@@H](c2nc(CCCNC(=O)OC(C)(C)C)no2)C1	ZINC000218377495	257130597	/nfs/dbraw/zinc/13/05/97/257130597.db2.gz	HJRIMOADGAKPHG-GFCCVEGCSA-N	1	1	324.425	2.336	40	70		DEIBMO
CCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216912939	402290073	/nfs/dbraw/zinc/29/00/73/402290073.db2.gz	PETICTLRTGSLIV-INIZCTEOSA-N	1	1	304.434	2.476	40	70		DEIBMO
COc1cccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)n2)c1	ZINC000216849647	402290004	/nfs/dbraw/zinc/29/00/04/402290004.db2.gz	ICTJSJJSYALRRP-UHFFFAOYSA-N	1	1	313.405	2.289	40	70		DEIBMO
CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216909530	402289977	/nfs/dbraw/zinc/28/99/77/402289977.db2.gz	XHSMOMBCUKSPNH-AWEZNQCLSA-N	1	1	317.433	2.497	40	70		DEIBMO
COc1cc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)ccc1OC(C)C	ZINC000216911754	402289989	/nfs/dbraw/zinc/28/99/89/402289989.db2.gz	UHKKDKRCBMJVQP-HNNXBMFYSA-N	1	1	320.433	2.440	40	70		DEIBMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1N1CCCC1=O	ZINC000216918190	402290000	/nfs/dbraw/zinc/29/00/00/402290000.db2.gz	ZKVPKPFNXJXWFJ-CQSZACIVSA-N	1	1	315.417	2.402	40	70		DEIBMO