smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[C@@H]([NH3+])C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1	ZINC000064549839	717132724	/nfs/dbraw/zinc/13/27/24/717132724.db2.gz	MQTSDTBUYMEDMS-HXUWFJFHSA-N	2	0	364.554	3.341	1	5		FGBFRP
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cc3)cc([N+](=O)[O-])c2)cc1	ZINC000096908769	209160158	/nfs/dbraw/zinc/16/01/58/209160158.db2.gz	XJTLLFLCGZZIDX-UHFFFAOYSA-N	2	0	359.389	3.497	1	5		FGBFRP
OCCC[NH+]1CCN(c2c3[nH]c4ccccc4c3[nH+]c3ccccc32)CC1	ZINC000095571741	132215524	/nfs/dbraw/zinc/21/55/24/132215524.db2.gz	JVZAAUUSTCCRLK-UHFFFAOYSA-N	2	0	360.461	3.374	1	5		FGBFRP
Cc1c2c3cc(O)ccc3n(C)c2c(C)c2cc[n+](CCOCC[NH3+])cc12	ZINC000169349741	209520948	/nfs/dbraw/zinc/52/09/48/209520948.db2.gz	CVOCKSZLKAEEAT-UHFFFAOYSA-O	2	0	364.469	3.070	1	5		FGBFRP
C[NH2+]Cc1ccc(NCCC[NH+](C)C)c2c(=O)c3ccccc3sc12	ZINC000100892199	222256419	/nfs/dbraw/zinc/25/64/19/222256419.db2.gz	RLXCERKSRBNFAR-UHFFFAOYSA-N	2	0	355.507	3.498	1	5		FGBFRP
CCCCCC[C@H]([NH3+])C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1	ZINC000064549838	717132397	/nfs/dbraw/zinc/13/23/97/717132397.db2.gz	MQTSDTBUYMEDMS-FQEVSTJZSA-N	2	0	364.554	3.341	1	5		FGBFRP