smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Br)c(CC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1	ZINC000160804308	531816741	/nfs/dbraw/zinc/81/67/41/531816741.db2.gz	IQHFHVZNIAFYEO-GUYCJALGSA-N	1	1	397.313	2.179	10	70		GEIEMO
COc1ccc(Br)c(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000160804204	531816632	/nfs/dbraw/zinc/81/66/32/531816632.db2.gz	IQHFHVZNIAFYEO-DYVFJYSZSA-N	1	1	397.313	2.179	10	70		GEIEMO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1	ZINC000160597011	531811864	/nfs/dbraw/zinc/81/18/64/531811864.db2.gz	ZZGVPCVXCGTDJF-CYBMUJFWSA-N	1	1	387.933	2.098	10	70		GEIEMO
COc1ccc(Br)c(CC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1	ZINC000160804540	531815970	/nfs/dbraw/zinc/81/59/70/531815970.db2.gz	IQHFHVZNIAFYEO-SUMWQHHRSA-N	1	1	397.313	2.179	10	70		GEIEMO
Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Br)nc3)CC2)cn1	ZINC000161256663	531829633	/nfs/dbraw/zinc/82/96/33/531829633.db2.gz	JUIONOPUHKPDIQ-UHFFFAOYSA-N	1	1	393.289	2.317	10	70		GEIEMO
Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(Br)nc3)CC2)cn1	ZINC000161256663	531829639	/nfs/dbraw/zinc/82/96/39/531829639.db2.gz	JUIONOPUHKPDIQ-UHFFFAOYSA-N	1	1	393.289	2.317	10	70		GEIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C1	ZINC000161344001	531831315	/nfs/dbraw/zinc/83/13/15/531831315.db2.gz	HXQFSDBUQWDPRI-LRDDRELGSA-N	1	1	387.933	2.049	10	70		GEIEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000159997827	531802010	/nfs/dbraw/zinc/80/20/10/531802010.db2.gz	YIJOBJZUAIWDTR-ZDUSSCGKSA-N	1	1	396.289	2.238	10	70		GEIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1	ZINC000161343866	531832212	/nfs/dbraw/zinc/83/22/12/531832212.db2.gz	HXQFSDBUQWDPRI-WBMJQRKESA-N	1	1	387.933	2.049	10	70		GEIEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000159997712	531802638	/nfs/dbraw/zinc/80/26/38/531802638.db2.gz	YIJOBJZUAIWDTR-CYBMUJFWSA-N	1	1	396.289	2.238	10	70		GEIEMO
COc1ccc(Br)c(CC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1	ZINC000160804444	531816760	/nfs/dbraw/zinc/81/67/60/531816760.db2.gz	IQHFHVZNIAFYEO-CXAGYDPISA-N	1	1	397.313	2.179	10	70		GEIEMO