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(c1cc2ccccc2[nH]1)N1CCN(c2[nH+]cccc2NCC(F)(F)F)CC1	ZINC000025971185	132227339	/nfs/dbraw/zinc/22/73/39/132227339.db2.gz	XIRPNYJLBQYQPM-UHFFFAOYSA-N	1	2	403.408	3.500	1	0		HGAFLO
Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NCCc4ccccn4)cc[nH]c3=O)[nH]c21	ZINC000028893886	581092820	/nfs/dbraw/zinc/09/28/20/581092820.db2.gz	ITUXVMIFNQWGDA-UHFFFAOYSA-N	1	2	411.469	3.462	1	0		HGAFLO
CCCCC[C@H](C[C@H](CCc1ccc(O)c(OC)c1)OC(=O)C[NH2+]C)OC(C)=O	ZINC000085596881	291234007	/nfs/dbraw/zinc/23/40/07/291234007.db2.gz	WBFNIEDSBWYPEQ-MOPGFXCFSA-N	1	2	409.523	3.367	1	0	biogenic,in-vitro	HGAFLO
Cc1c2oc(C[NH+]3CCSCC3)cc2cc2c(=O)cc(N3CCOCC3)oc12	ZINC000000600287	132228986	/nfs/dbraw/zinc/22/89/86/132228986.db2.gz	CXHKHMKRUBYBNL-UHFFFAOYSA-N	1	2	400.500	3.233	1	0		HGAFLO
CN1c2ccccc2C2=NC[C@H](C[NH+]3CCN(c4ccccc4Cl)CC3)N2C1=O	ZINC000013832341	132459574	/nfs/dbraw/zinc/45/95/74/132459574.db2.gz	ZMURKFFQUGKOFO-MRXNPFEDSA-N	1	2	409.921	3.163	1	0		HGAFLO
C[NH+](C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn43)cc12	ZINC000013611716	560220024	/nfs/dbraw/zinc/22/00/24/560220024.db2.gz	RZAXUKVIIWUIOM-UHFFFAOYSA-N	1	2	423.951	3.435	1	0	in-vitro	HGAFLO
Brc1cccc(Nc2ncnc3cnc(NCCc4c[nH]c[nH+]4)nc32)c1	ZINC000003815047	581092214	/nfs/dbraw/zinc/09/22/14/581092214.db2.gz	OBPPQMUVDDMIQI-UHFFFAOYSA-N	1	2	411.267	3.304	1	0		HGAFLO
Brc1cccc(Nc2ncnc3cnc(NCCc4c[nH+]c[nH]4)nc32)c1	ZINC000003815047	581092215	/nfs/dbraw/zinc/09/22/15/581092215.db2.gz	OBPPQMUVDDMIQI-UHFFFAOYSA-N	1	2	411.267	3.304	1	0		HGAFLO
C[C@@H](c1ccc(-c2cccc(-c3nc(=O)o[nH]3)c2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1	ZINC000013980677	581094890	/nfs/dbraw/zinc/09/48/90/581094890.db2.gz	YKVGZZSPPYJECO-AGRHKRQWSA-N	1	2	410.449	3.110	1	0		HGAFLO
COc1cc2[nH+]cn(-c3cc(OCc4ccncc4)c(C(N)=O)s3)c2cc1OC	ZINC000040917957	581099357	/nfs/dbraw/zinc/09/93/57/581099357.db2.gz	XNOBOZRCPWKBSS-UHFFFAOYSA-N	1	2	410.455	3.177	1	0		HGAFLO
CN(CCc1c[nH+]c[nH]1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	ZINC000028570932	581099493	/nfs/dbraw/zinc/09/94/93/581099493.db2.gz	RELCWZCJWRFMJX-UHFFFAOYSA-N	1	2	413.481	3.091	1	0		HGAFLO
CN(CCc1c[nH]c[nH+]1)C(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4	ZINC000028570932	581099494	/nfs/dbraw/zinc/09/94/94/581099494.db2.gz	RELCWZCJWRFMJX-UHFFFAOYSA-N	1	2	413.481	3.091	1	0		HGAFLO
C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc54)c3c2)CC1	ZINC000003820933	132268817	/nfs/dbraw/zinc/26/88/17/132268817.db2.gz	OQGLQARWXJXSKS-UHFFFAOYSA-N	1	2	406.511	3.301	1	0		HGAFLO