smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300639	563169242	/nfs/dbraw/zinc/16/92/42/563169242.db2.gz	BLBUEPBCRMDPGM-ZDUSSCGKSA-N	1	0	460.535	2.348	1	70		JEIFRO
C[C@H](Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300641	563169340	/nfs/dbraw/zinc/16/93/40/563169340.db2.gz	BLBUEPBCRMDPGM-CYBMUJFWSA-N	1	0	460.535	2.348	1	70		JEIFRO
CN(C(=O)COc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1Cl)c1ccc(S(=O)(=O)F)cc1	ZINC000043307701	563169422	/nfs/dbraw/zinc/16/94/22/563169422.db2.gz	LIANKNGHGRBQJV-UHFFFAOYSA-N	1	0	496.952	2.226	1	70		JEIFRO
Cc1ccc(NC(=O)CCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)cc1S(=O)(=O)F	ZINC000043845642	563171124	/nfs/dbraw/zinc/17/11/24/563171124.db2.gz	GHJDKMNHSDWUIM-UHFFFAOYSA-N	1	0	460.535	2.410	1	70		JEIFRO
CN(C(=O)CCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)c1ccc(S(=O)(=O)F)cc1	ZINC000043300458	563169288	/nfs/dbraw/zinc/16/92/88/563169288.db2.gz	GNSOFUBOMLCNAW-UHFFFAOYSA-N	1	0	460.535	2.126	1	70		JEIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307638	563169431	/nfs/dbraw/zinc/16/94/31/563169431.db2.gz	YEWWWFDZTIIRKH-UHFFFAOYSA-N	1	0	464.548	2.261	1	70		JEIFRO
COc1ccc(S(=O)(=O)F)cc1NC(=O)CCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1	ZINC000043300497	563169292	/nfs/dbraw/zinc/16/92/92/563169292.db2.gz	OQEAKECBRGOTGE-UHFFFAOYSA-N	1	0	476.534	2.110	1	70		JEIFRO
Cc1cc(NC(=O)NCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000044201720	563171942	/nfs/dbraw/zinc/17/19/42/563171942.db2.gz	PDBGQTATRZXXMU-UHFFFAOYSA-N	1	0	461.523	2.160	1	70		JEIFRO
Cc1cc(S(=O)(=O)F)ccc1NC(=O)CCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1	ZINC000044182047	563171858	/nfs/dbraw/zinc/17/18/58/563171858.db2.gz	ZOOUXYLNCYVOPC-UHFFFAOYSA-N	1	0	460.535	2.410	1	70		JEIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000043300427	563169277	/nfs/dbraw/zinc/16/92/77/563169277.db2.gz	RPFKCYAUSNGWFG-UHFFFAOYSA-N	1	0	491.549	2.121	1	70		JEIFRO
COc1cc(NC(=O)CCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)ccc1S(=O)(=O)F	ZINC000043300637	563169230	/nfs/dbraw/zinc/16/92/30/563169230.db2.gz	GXRBERZNWIFWFT-UHFFFAOYSA-N	1	0	476.534	2.110	1	70		JEIFRO
COc1ccc(NC(=O)CCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)cc1S(=O)(=O)F	ZINC000043845608	563171146	/nfs/dbraw/zinc/17/11/46/563171146.db2.gz	IVNVGIWGCNLABW-UHFFFAOYSA-N	1	0	476.534	2.110	1	70		JEIFRO