smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCOc1cccc(Br)c1)NC[C@@H](O)CN1CCCCC1	ZINC000159985745	531802676	/nfs/dbraw/zinc/80/26/76/531802676.db2.gz	VNUKWBJPOMNZDZ-OAHLLOKOSA-N	0	3	385.302	2.181	10	70		GEIEHN
CC(C)C[C@@H](CN(C)C)NC(=O)c1cncc(I)c1	ZINC000161176116	531825887	/nfs/dbraw/zinc/82/58/87/531825887.db2.gz	SKTKIACKHIWBOF-ZDUSSCGKSA-N	0	3	375.254	2.392	10	70		GEIEHN
O=C(CCOc1cccc(Br)c1)NC[C@H](O)CN1CCCCC1	ZINC000159985604	531801733	/nfs/dbraw/zinc/80/17/33/531801733.db2.gz	VNUKWBJPOMNZDZ-HNNXBMFYSA-N	0	3	385.302	2.181	10	70		GEIEHN
CC(C)N1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C1	ZINC000161344001	531831316	/nfs/dbraw/zinc/83/13/16/531831316.db2.gz	HXQFSDBUQWDPRI-LRDDRELGSA-N	0	3	387.933	2.049	10	70		GEIEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cncc(I)c1	ZINC000161176243	531825766	/nfs/dbraw/zinc/82/57/66/531825766.db2.gz	SKTKIACKHIWBOF-CYBMUJFWSA-N	0	3	375.254	2.392	10	70		GEIEHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000161326972	531831692	/nfs/dbraw/zinc/83/16/92/531831692.db2.gz	FVIBVNOXTAXLLW-CYBMUJFWSA-N	0	3	398.305	2.388	10	70		GEIEHN
CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000159997827	531802019	/nfs/dbraw/zinc/80/20/19/531802019.db2.gz	YIJOBJZUAIWDTR-ZDUSSCGKSA-N	0	3	396.289	2.238	10	70		GEIEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1	ZINC000161343866	531832221	/nfs/dbraw/zinc/83/22/21/531832221.db2.gz	HXQFSDBUQWDPRI-WBMJQRKESA-N	0	3	387.933	2.049	10	70		GEIEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000159997712	531802643	/nfs/dbraw/zinc/80/26/43/531802643.db2.gz	YIJOBJZUAIWDTR-CYBMUJFWSA-N	0	3	396.289	2.238	10	70		GEIEHN