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]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CC[NH2+]1	ZINC000003782309	132268896	/nfs/dbraw/zinc/26/88/96/132268896.db2.gz	LGYHKAUJYVYBIG-VIFPVBQESA-N	1	2	402.451	2.099	1	0		HEAFLO
Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2ncnc(N3CCOCC3)c12	ZINC000008680282	132332147	/nfs/dbraw/zinc/33/21/47/132332147.db2.gz	YEOIGVFZVMFADH-UHFFFAOYSA-N	1	2	424.530	2.194	3	0		HEAFLO
C[NH2+]C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C1	ZINC000003782327	132268814	/nfs/dbraw/zinc/26/88/14/132268814.db2.gz	INTOODKEGFGVES-JTQLQIEISA-N	1	2	416.478	2.347	1	0		HEAFLO
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1	ZINC000040975504	581099997	/nfs/dbraw/zinc/09/99/97/581099997.db2.gz	XALOFLMEUAMOLD-UHFFFAOYSA-N	1	2	402.458	2.041	1	0		HEAFLO
Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)N1CCN(c2cccc[nH+]2)CC1	ZINC000002465440	132254929	/nfs/dbraw/zinc/25/49/29/132254929.db2.gz	JMGDWUJZIBKNFB-UHFFFAOYSA-N	1	2	401.470	2.388	1	0		HEAFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cccc[nH+]4)CC3)c(F)c2)C(=O)O1	ZINC000005832975	132308167	/nfs/dbraw/zinc/30/81/67/132308167.db2.gz	BXUCYYQHKCMHKS-KRWDZBQOSA-N	1	2	413.453	2.009	1	0		HEAFLO
C[C@@H](c1ccc(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000014948249	581095254	/nfs/dbraw/zinc/09/52/54/581095254.db2.gz	GVJGHGLMXNSVJN-AGRHKRQWSA-N	1	2	409.465	2.433	1	0		HEAFLO
O=C(NCC[NH+]1CCOCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	ZINC000028569542	581101390	/nfs/dbraw/zinc/10/13/90/581101390.db2.gz	AKXAUEKOTGWTIF-UHFFFAOYSA-N	1	2	418.497	2.115	1	0		HEAFLO
CN(C)C(=O)c1cc2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2n1C	ZINC000072322802	524020844	/nfs/dbraw/zinc/02/08/44/524020844.db2.gz	GESUCRXSJNOHAK-UHFFFAOYSA-N	1	2	405.502	2.233	2	0		HEAFLO
CCOC(=O)c1cn(C)c2cc(N3CCN(c4cccc[nH+]4)CC3)c(N)cc2c1=O	ZINC000001488510	132247014	/nfs/dbraw/zinc/24/70/14/132247014.db2.gz	VREZPJZIWGZIEL-UHFFFAOYSA-N	1	2	407.474	2.019	1	0		HEAFLO