smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2)nn1	ZINC000003096213	552287183	/nfs/dbraw/zinc/28/71/83/552287183.db2.gz	PNMYXAODHJGWND-MKMNVTDBSA-N	0	2	511.629	3.936	10	0		KHAELN
Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4cccc[nH+]4)CC3)cc(C(=O)[O-])c2c1	ZINC000033256378	553915634	/nfs/dbraw/zinc/91/56/34/553915634.db2.gz	MFWKLXYUDWNYPQ-UHFFFAOYSA-N	0	2	503.584	3.764	10	0		KHAELN
C[N+](C)(C)[C@@H](CSS(C)(=O)=O)C(=O)Nc1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1	ZINC000072131314	717133804	/nfs/dbraw/zinc/13/38/04/717133804.db2.gz	NFSNTXBKOPVECW-QFIPXVFZSA-O	0	2	571.653	3.675	10	0		KHAELN
C[N+](C)(C)[C@H](CSS(C)(=O)=O)C(=O)Nc1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1	ZINC000072131315	717133520	/nfs/dbraw/zinc/13/35/20/717133520.db2.gz	NFSNTXBKOPVECW-JOCHJYFZSA-O	0	2	571.653	3.675	10	0		KHAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@H](C(=O)[O-])[C@H](c2cncs2)N1C(=O)OCc1ccccc1	ZINC000097100463	553758258	/nfs/dbraw/zinc/75/82/58/553758258.db2.gz	OHSCCJGQFCHGBV-DMJCMNNJSA-N	0	2	512.588	3.905	10	0		KHAELN
COc1ncc(-c2ccc3ncnc(N4CCOCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F	ZINC000103264463	562821953	/nfs/dbraw/zinc/82/19/53/562821953.db2.gz	BITYGNDFPWCLCP-UHFFFAOYSA-N	0	2	513.526	3.616	10	0		KHAELN
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CCCC(=O)OCCCc3ccccc3)cc2)no1	ZINC000103592385	555452740	/nfs/dbraw/zinc/45/27/40/555452740.db2.gz	YTMNCROBPIATNX-UHFFFAOYSA-N	0	2	544.655	3.943	10	0		KHAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@@H](C(=O)[O-])[C@H](c2cncs2)N1C(=O)OCc1ccccc1	ZINC000215157877	571583423	/nfs/dbraw/zinc/58/34/23/571583423.db2.gz	OHSCCJGQFCHGBV-RQBNJVACSA-N	0	2	512.588	3.905	10	0		KHAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@H](C(=O)[O-])[C@@H](c2cncs2)N1C(=O)OCc1ccccc1	ZINC000407986859	572156498	/nfs/dbraw/zinc/15/64/98/572156498.db2.gz	OHSCCJGQFCHGBV-JVFUWBCBSA-N	0	2	512.588	3.905	10	0		KHAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@@H](C(=O)[O-])[C@@H](c2cncs2)N1C(=O)OCc1ccccc1	ZINC000407986877	572156450	/nfs/dbraw/zinc/15/64/50/572156450.db2.gz	OHSCCJGQFCHGBV-KNOQFWTLSA-N	0	2	512.588	3.905	10	0		KHAELN