smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1	ZINC000097393628	219021812	/nfs/dbraw/zinc/02/18/12/219021812.db2.gz	ADWPHKYGGHBHCS-QGZVFWFLSA-N	1	0	325.452	4.889	20	30		EJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1sccc1Br	ZINC000037284513	213138196	/nfs/dbraw/zinc/13/81/96/213138196.db2.gz	XHWHVTGHOFCMAF-WDEREUQCSA-N	1	0	335.270	4.794	20	30		EJEDRO
C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cc1	ZINC000097393629	219021937	/nfs/dbraw/zinc/02/19/37/219021937.db2.gz	ADWPHKYGGHBHCS-KRWDZBQOSA-N	1	0	325.452	4.889	20	30		EJEDRO
C[C@@H]([NH2+][C@@H](C)c1sccc1Br)c1ccc(C#N)cc1	ZINC000037284512	213137883	/nfs/dbraw/zinc/13/78/83/213137883.db2.gz	XHWHVTGHOFCMAF-MNOVXSKESA-N	1	0	335.270	4.794	20	30		EJEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Br)s1	ZINC000038002690	213187204	/nfs/dbraw/zinc/18/72/04/213187204.db2.gz	RVKACHBLDDEUSP-GHMZBOCLSA-N	1	0	335.270	4.794	20	30		EJEDRO
C=CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1	ZINC000040737387	518952666	/nfs/dbraw/zinc/95/26/66/518952666.db2.gz	SVLLUZDUXRKZGM-UHFFFAOYSA-N	1	0	349.833	4.732	20	30		EJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)s1	ZINC000038002687	213187600	/nfs/dbraw/zinc/18/76/00/213187600.db2.gz	RVKACHBLDDEUSP-QWRGUYRKSA-N	1	0	335.270	4.794	20	30		EJEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1sccc1Br	ZINC000037284514	213137929	/nfs/dbraw/zinc/13/79/29/213137929.db2.gz	XHWHVTGHOFCMAF-GHMZBOCLSA-N	1	0	335.270	4.794	20	30		EJEDRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1	ZINC001165017080	721837303	/nfs/dbraw/zinc/83/73/03/721837303.db2.gz	HQUJWUNNOYVBDH-NRFANRHFSA-N	1	0	348.494	4.527	20	30		EJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)s1	ZINC000038002689	213187086	/nfs/dbraw/zinc/18/70/86/213187086.db2.gz	RVKACHBLDDEUSP-WDEREUQCSA-N	1	0	335.270	4.794	20	30		EJEDRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1	ZINC001165017089	721837355	/nfs/dbraw/zinc/83/73/55/721837355.db2.gz	HQUJWUNNOYVBDH-OAQYLSRUSA-N	1	0	348.494	4.527	20	30		EJEDRO
C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cccc(F)c2C#N)C1	ZINC000071954841	203154050	/nfs/dbraw/zinc/15/40/50/203154050.db2.gz	XXMBLTDHXUBEOS-INIZCTEOSA-N	1	0	337.442	4.541	20	30		EJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1ccc(C#N)cc1	ZINC000038002688	202080807	/nfs/dbraw/zinc/08/08/07/202080807.db2.gz	RVKACHBLDDEUSP-MNOVXSKESA-N	1	0	335.270	4.794	20	30		EJEDRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CCC#N)C2CCCC2)nc1	ZINC001165017922	721836010	/nfs/dbraw/zinc/83/60/10/721836010.db2.gz	RUABZBQGMPZSQL-HXUWFJFHSA-N	1	0	340.515	4.681	20	30		EJEDRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N(CCC#N)C2CCCC2)nc1	ZINC001165017917	721836016	/nfs/dbraw/zinc/83/60/16/721836016.db2.gz	RUABZBQGMPZSQL-FQEVSTJZSA-N	1	0	340.515	4.681	20	30		EJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1sccc1Br	ZINC000037284511	213137763	/nfs/dbraw/zinc/13/77/63/213137763.db2.gz	XHWHVTGHOFCMAF-QWRGUYRKSA-N	1	0	335.270	4.794	20	30		EJEDRO