smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000001683244	557280327	/nfs/dbraw/zinc/28/03/27/557280327.db2.gz	GQIRBPMFKDRVPW-UHFFFAOYSA-N	2	2	411.977	6.740	40	10		HKCBLP
CCCC[N@H+](CC)CCCCCCCCCC[NH+]1CCCc2cc(OC)ccc21	ZINC000004366809	132275802	/nfs/dbraw/zinc/27/58/02/132275802.db2.gz	VFMRXYQTDRTCFR-UHFFFAOYSA-N	2	2	402.667	6.691	40	10		HKCBLP
CCCC[N@@H+](CC)CCCCCCCCCC[NH+]1CCCc2cc(OC)ccc21	ZINC000004366809	132275804	/nfs/dbraw/zinc/27/58/04/132275804.db2.gz	VFMRXYQTDRTCFR-UHFFFAOYSA-N	2	2	402.667	6.691	40	10		HKCBLP
CCCC[NH+](CC)CCCCCCCCCC[N@@H+]1CCCc2cc(OC)ccc21	ZINC000004366809	132275806	/nfs/dbraw/zinc/27/58/06/132275806.db2.gz	VFMRXYQTDRTCFR-UHFFFAOYSA-N	2	2	402.667	6.691	40	10		HKCBLP
CCCC[NH+](CC)CCCCCCCCCC[N@H+]1CCCc2cc(OC)ccc21	ZINC000004366809	132275808	/nfs/dbraw/zinc/27/58/08/132275808.db2.gz	VFMRXYQTDRTCFR-UHFFFAOYSA-N	2	2	402.667	6.691	40	10		HKCBLP
CCCCC[N@H+](CCC)CCCCCCCCC[NH+]1CCCc2cc(OC)ccc21	ZINC000004366810	535023133	/nfs/dbraw/zinc/02/31/33/535023133.db2.gz	DBXUVVWGQGLGIG-UHFFFAOYSA-N	2	2	416.694	7.081	40	10		HKCBLP
CCCCC[N@@H+](CCC)CCCCCCCCC[NH+]1CCCc2cc(OC)ccc21	ZINC000004366810	535023136	/nfs/dbraw/zinc/02/31/36/535023136.db2.gz	DBXUVVWGQGLGIG-UHFFFAOYSA-N	2	2	416.694	7.081	40	10		HKCBLP
CCCCC[NH+](CCC)CCCCCCCCC[N@@H+]1CCCc2cc(OC)ccc21	ZINC000004366810	535023140	/nfs/dbraw/zinc/02/31/40/535023140.db2.gz	DBXUVVWGQGLGIG-UHFFFAOYSA-N	2	2	416.694	7.081	40	10		HKCBLP
CCCCC[NH+](CCC)CCCCCCCCC[N@H+]1CCCc2cc(OC)ccc21	ZINC000004366810	535023147	/nfs/dbraw/zinc/02/31/47/535023147.db2.gz	DBXUVVWGQGLGIG-UHFFFAOYSA-N	2	2	416.694	7.081	40	10		HKCBLP
Cc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)ccc1N1CCCC1	ZINC000043277727	524668780	/nfs/dbraw/zinc/66/87/80/524668780.db2.gz	TVJCRGCVBODKMC-UHFFFAOYSA-N	2	2	406.549	5.023	40	10		HKCBLP
Cc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)ccc1N1CCCC1	ZINC000043277727	524668788	/nfs/dbraw/zinc/66/87/88/524668788.db2.gz	TVJCRGCVBODKMC-UHFFFAOYSA-N	2	2	406.549	5.023	40	10		HKCBLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4O)C=C3C)[nH]c21	ZINC000077262181	291290579	/nfs/dbraw/zinc/29/05/79/291290579.db2.gz	KQRYMPYFRPEGEB-VABKMULXSA-N	2	2	417.597	5.764	40	10	biogenic,in-vitro	HKCBLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4O)C=C3C)[nH+]c21	ZINC000077262181	291290582	/nfs/dbraw/zinc/29/05/82/291290582.db2.gz	KQRYMPYFRPEGEB-VABKMULXSA-N	2	2	417.597	5.764	40	10	biogenic,in-vitro	HKCBLP