smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]Cc1ccc(OC)c(CN2CCCC2)c1	ZINC000016942077	170127202	/nfs/dbraw/zinc/12/72/02/170127202.db2.gz	LXLXKJZJXVUKOE-UHFFFAOYSA-N	1	3	248.370	2.401	10	10		BECEHO
CC[NH2+]Cc1ccc(N(C)CCN(C)C)c(C)c1	ZINC000104187101	170126281	/nfs/dbraw/zinc/12/62/81/170126281.db2.gz	HEOFBDBKQXUVQR-UHFFFAOYSA-N	1	3	249.402	2.102	10	10		BECEHO
C[NH2+]Cc1ccc(OC)c(CN2CCCC2)c1	ZINC000016942036	173389072	/nfs/dbraw/zinc/38/90/72/173389072.db2.gz	ZBYQGMNPZXFMFV-UHFFFAOYSA-N	1	3	234.343	2.010	10	10		BECEHO
C[C@@H](c1ccc(N(C)C)cc1)N1CC[C@H](C[NH3+])C1	ZINC000050245027	176015258	/nfs/dbraw/zinc/01/52/58/176015258.db2.gz	CZWWUIPHCFRUGS-QWHCGFSZSA-N	1	3	247.386	2.094	10	10		BECEHO
C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CC[C@H](CN)C1	ZINC000050245027	176015260	/nfs/dbraw/zinc/01/52/60/176015260.db2.gz	CZWWUIPHCFRUGS-QWHCGFSZSA-N	1	3	247.386	2.094	10	10		BECEHO
C[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CC[C@H](CN)C1	ZINC000050245027	176015262	/nfs/dbraw/zinc/01/52/62/176015262.db2.gz	CZWWUIPHCFRUGS-QWHCGFSZSA-N	1	3	247.386	2.094	10	10		BECEHO
CCCN(CCN(C)C)c1ccc([C@@H](C)[NH3+])cc1	ZINC000045695125	169157734	/nfs/dbraw/zinc/15/77/34/169157734.db2.gz	AEBITQZGLAYWGC-CYBMUJFWSA-N	1	3	249.402	2.484	10	10		BECEHO
C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCCNCC1	ZINC000038087088	177034712	/nfs/dbraw/zinc/03/47/12/177034712.db2.gz	RWWAAOISEMNFFF-CYBMUJFWSA-N	1	3	247.386	2.109	10	10		BECEHO
C[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCCNCC1	ZINC000038087088	177034714	/nfs/dbraw/zinc/03/47/14/177034714.db2.gz	RWWAAOISEMNFFF-CYBMUJFWSA-N	1	3	247.386	2.109	10	10		BECEHO
CC(C)N1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000036190071	535204667	/nfs/dbraw/zinc/20/46/67/535204667.db2.gz	MLIMCDWTJPLTQG-CYBMUJFWSA-N	1	3	247.386	2.237	10	10		BECEHO
CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CN)cc1	ZINC000044539881	640402825	/nfs/dbraw/zinc/40/28/25/640402825.db2.gz	WGVSFSMSOHAWEV-HNNXBMFYSA-N	1	3	247.386	2.066	10	10		BECEHO
CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CN)cc1	ZINC000044539881	640402832	/nfs/dbraw/zinc/40/28/32/640402832.db2.gz	WGVSFSMSOHAWEV-HNNXBMFYSA-N	1	3	247.386	2.066	10	10		BECEHO
Cc1cc(Cl)cc([C@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575438482	387130083	/nfs/dbraw/zinc/13/00/83/387130083.db2.gz	LETVPLMFUAKTNZ-LLVKDONJSA-N	1	3	242.750	2.483	10	10		BECEHO
CC[C@H](C)N1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266012	132331010	/nfs/dbraw/zinc/33/10/10/132331010.db2.gz	CTKPIRHBWBRBEK-ZDUSSCGKSA-N	1	3	247.386	2.066	10	10		BECEHO
CC(C)(C)N1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266000	132330687	/nfs/dbraw/zinc/33/06/87/132330687.db2.gz	DXFPKRATAGHCBT-UHFFFAOYSA-N	1	3	247.386	2.066	10	10		BECEHO
CC(C)N1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000036190074	535205702	/nfs/dbraw/zinc/20/57/02/535205702.db2.gz	MLIMCDWTJPLTQG-ZDUSSCGKSA-N	1	3	247.386	2.237	10	10		BECEHO
CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CN)cc1	ZINC000044539879	640400919	/nfs/dbraw/zinc/40/09/19/640400919.db2.gz	WGVSFSMSOHAWEV-OAHLLOKOSA-N	1	3	247.386	2.066	10	10		BECEHO
CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CN)cc1	ZINC000044539879	640400920	/nfs/dbraw/zinc/40/09/20/640400920.db2.gz	WGVSFSMSOHAWEV-OAHLLOKOSA-N	1	3	247.386	2.066	10	10		BECEHO
Cc1ccc(O)c(CN(C)[C@H]2CCC[NH2+]CC2)c1	ZINC000231456063	641174696	/nfs/dbraw/zinc/17/46/96/641174696.db2.gz	ZSYPZXFQKVYYJL-AWEZNQCLSA-N	1	3	248.370	2.275	10	10		BECEHO
CCCN1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000019872667	534933111	/nfs/dbraw/zinc/93/31/11/534933111.db2.gz	JWXLGYKTFAMKRM-CYBMUJFWSA-N	1	3	247.386	2.238	10	10		BECEHO
C[NH2+]Cc1ccc(OC)c(CN2CCCCC2)c1	ZINC000016942039	173388566	/nfs/dbraw/zinc/38/85/66/173388566.db2.gz	DACNLBPGAFBRAU-UHFFFAOYSA-N	1	3	248.370	2.401	10	10		BECEHO
C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCCNCC1	ZINC000038087087	176015110	/nfs/dbraw/zinc/01/51/10/176015110.db2.gz	RWWAAOISEMNFFF-ZDUSSCGKSA-N	1	3	247.386	2.109	10	10		BECEHO
C[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCCNCC1	ZINC000038087087	176015111	/nfs/dbraw/zinc/01/51/11/176015111.db2.gz	RWWAAOISEMNFFF-ZDUSSCGKSA-N	1	3	247.386	2.109	10	10		BECEHO
Cc1cc(Cl)cc([C@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439013	387121113	/nfs/dbraw/zinc/12/11/13/387121113.db2.gz	OGMYMWGTFNHGQC-SNVBAGLBSA-N	1	3	228.723	2.093	10	10		BECEHO
Cc1cc(Cl)cc([C@@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575438486	387128687	/nfs/dbraw/zinc/12/86/87/387128687.db2.gz	LETVPLMFUAKTNZ-NSHDSACASA-N	1	3	242.750	2.483	10	10		BECEHO
CCCN1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000019872669	534932660	/nfs/dbraw/zinc/93/26/60/534932660.db2.gz	JWXLGYKTFAMKRM-ZDUSSCGKSA-N	1	3	247.386	2.238	10	10		BECEHO
CC[C@@H](C)N1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266009	535565260	/nfs/dbraw/zinc/56/52/60/535565260.db2.gz	CTKPIRHBWBRBEK-CYBMUJFWSA-N	1	3	247.386	2.066	10	10		BECEHO
C[C@H](c1ccc(N(C)C)cc1)N1CC[C@H](C[NH3+])C1	ZINC000050245028	177033663	/nfs/dbraw/zinc/03/36/63/177033663.db2.gz	CZWWUIPHCFRUGS-CHWSQXEVSA-N	1	3	247.386	2.094	10	10		BECEHO
C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CC[C@H](CN)C1	ZINC000050245028	177033664	/nfs/dbraw/zinc/03/36/64/177033664.db2.gz	CZWWUIPHCFRUGS-CHWSQXEVSA-N	1	3	247.386	2.094	10	10		BECEHO
C[C@H](c1ccc(N(C)C)cc1)[N@H+]1CC[C@H](CN)C1	ZINC000050245028	177033665	/nfs/dbraw/zinc/03/36/65/177033665.db2.gz	CZWWUIPHCFRUGS-CHWSQXEVSA-N	1	3	247.386	2.094	10	10		BECEHO
Cc1cc(Cl)cc([C@@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439014	387121223	/nfs/dbraw/zinc/12/12/23/387121223.db2.gz	OGMYMWGTFNHGQC-JTQLQIEISA-N	1	3	228.723	2.093	10	10		BECEHO
Cc1ccc(O)c(CN(C)[C@@H]2CCC[NH2+]CC2)c1	ZINC000231456037	641175747	/nfs/dbraw/zinc/17/57/47/641175747.db2.gz	ZSYPZXFQKVYYJL-CQSZACIVSA-N	1	3	248.370	2.275	10	10		BECEHO