smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2)cc1	ZINC000728715328	1067951407	/nfs/dbraw/zinc/95/14/07/1067951407.db2.gz	XDUPNVDXAOBOPD-UHFFFAOYSA-N	0	3	458.607	0.767	20	10		JCCDHN
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)C1	ZINC000728748789	1067966283	/nfs/dbraw/zinc/96/62/83/1067966283.db2.gz	YLZQZHBRMYUHAR-FQEVSTJZSA-N	0	3	456.591	0.838	20	10		JCCDHN
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)C1	ZINC000728748792	1067966157	/nfs/dbraw/zinc/96/61/57/1067966157.db2.gz	YLZQZHBRMYUHAR-HXUWFJFHSA-N	0	3	456.591	0.838	20	10		JCCDHN
COC(=O)[C@@H](F)C(NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000814398221	1070267101	/nfs/dbraw/zinc/26/71/01/1070267101.db2.gz	HWJAYWBXHHNITF-KRWDZBQOSA-N	0	3	493.561	0.093	20	10		JCCDHN
COC(=O)[C@H](F)C(NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)=C1C(=O)[N-]C(=S)NC1=O	ZINC000814398226	1070267143	/nfs/dbraw/zinc/26/71/43/1070267143.db2.gz	HWJAYWBXHHNITF-QGZVFWFLSA-N	0	3	493.561	0.093	20	10		JCCDHN
CN1CCOc2cc(CN3CC[C@H]4N(S(C)(=O)=O)CC[C@@]4(C(=O)N4CCOCC4)CC3)ccc21	ZINC001141142705	1071330018	/nfs/dbraw/zinc/33/00/18/1071330018.db2.gz	XXGQYRQHEFBTNF-VWNXMTODSA-N	0	3	492.642	0.990	20	10		JCCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H]3CNC(=O)c3cnn(C)c3)CC2)cc1	ZINC001175202046	1068312284	/nfs/dbraw/zinc/31/22/84/1068312284.db2.gz	ARLKMXLTRVNCKC-FCHUYYIVSA-N	0	3	456.591	0.806	20	10		JCCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H]3CNC(=O)c3cnn(C)c3)CC2)cc1	ZINC001175202047	1068312217	/nfs/dbraw/zinc/31/22/17/1068312217.db2.gz	ARLKMXLTRVNCKC-FGZHOGPDSA-N	0	3	456.591	0.806	20	10		JCCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]3CNC(=O)c3cnn(C)c3)CC2)cc1	ZINC001175202048	1068312548	/nfs/dbraw/zinc/31/25/48/1068312548.db2.gz	ARLKMXLTRVNCKC-VXKWHMMOSA-N	0	3	456.591	0.806	20	10		JCCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]3CNC(=O)c3cnn(C)c3)CC2)cc1	ZINC001175202049	1068312081	/nfs/dbraw/zinc/31/20/81/1068312081.db2.gz	ARLKMXLTRVNCKC-YADHBBJMSA-N	0	3	456.591	0.806	20	10		JCCDHN
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)cc12	ZINC001184360275	1068917534	/nfs/dbraw/zinc/91/75/34/1068917534.db2.gz	YLLGRZHDOMGFPT-UHFFFAOYSA-N	0	3	490.538	0.861	20	10		JCCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CCCC[C@@H]3CCNS(C)(=O)=O)CC2)cc1	ZINC001190399891	1069354896	/nfs/dbraw/zinc/35/48/96/1069354896.db2.gz	RIDLLZDHMKGXEM-CTNGQTDRSA-N	0	3	454.637	0.972	20	10		JCCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CCCC[C@H]3CCNS(C)(=O)=O)CC2)cc1	ZINC001190399897	1069355022	/nfs/dbraw/zinc/35/50/22/1069355022.db2.gz	RIDLLZDHMKGXEM-FPOVZHCZSA-N	0	3	454.637	0.972	20	10		JCCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CCCC[C@H]3CCNS(C)(=O)=O)CC2)cc1	ZINC001190399900	1069355091	/nfs/dbraw/zinc/35/50/91/1069355091.db2.gz	RIDLLZDHMKGXEM-PZJWPPBQSA-N	0	3	454.637	0.972	20	10		JCCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CCCC[C@@H]3CCNS(C)(=O)=O)CC2)cc1	ZINC001190399902	1069355198	/nfs/dbraw/zinc/35/51/98/1069355198.db2.gz	RIDLLZDHMKGXEM-TZIWHRDSSA-N	0	3	454.637	0.972	20	10		JCCDHN
O=C(c1ccc([O-])c(O)c1Cl)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2	ZINC001193225999	1069494870	/nfs/dbraw/zinc/49/48/70/1069494870.db2.gz	VPVRGAJFKVUVDN-DZGCQCFKSA-N	0	3	464.931	0.931	20	10		JCCDHN