smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1	ZINC000217602359	205940316	/nfs/dbraw/zinc/94/03/16/205940316.db2.gz	QGOXTTHFVIUWDE-YSTOQKLRSA-N	1	2	392.430	2.969	40	70		GFIBLO
Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1	ZINC000217602359	205940319	/nfs/dbraw/zinc/94/03/19/205940319.db2.gz	QGOXTTHFVIUWDE-YSTOQKLRSA-N	1	2	392.430	2.969	40	70		GFIBLO
O=C(NCc1nc(-c2cccs2)no1)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000218077004	570324915	/nfs/dbraw/zinc/32/49/15/570324915.db2.gz	LUZHDUTZWQWIQR-UHFFFAOYSA-N	1	2	384.461	2.560	40	70		GFIBLO
Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccc(F)cc4)[N@H+]4CCC[C@@H]4[C@H]3C2=O)cc1	ZINC000217602204	570319037	/nfs/dbraw/zinc/31/90/37/570319037.db2.gz	QGOXTTHFVIUWDE-UAFMIMERSA-N	1	2	392.430	2.969	40	70		GFIBLO
Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccc(F)cc4)[N@@H+]4CCC[C@@H]4[C@H]3C2=O)cc1	ZINC000217602204	570319039	/nfs/dbraw/zinc/31/90/39/570319039.db2.gz	QGOXTTHFVIUWDE-UAFMIMERSA-N	1	2	392.430	2.969	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000217597460	570318798	/nfs/dbraw/zinc/31/87/98/570318798.db2.gz	GJIOGOHEZHMFOV-AKHDSKFASA-N	1	2	396.393	2.800	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000217597460	570318802	/nfs/dbraw/zinc/31/88/02/570318802.db2.gz	GJIOGOHEZHMFOV-AKHDSKFASA-N	1	2	396.393	2.800	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000217561975	570318140	/nfs/dbraw/zinc/31/81/40/570318140.db2.gz	PECOTYWKYPEQDY-YRXWBPOGSA-N	1	2	378.403	2.661	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000217561975	570318144	/nfs/dbraw/zinc/31/81/44/570318144.db2.gz	PECOTYWKYPEQDY-YRXWBPOGSA-N	1	2	378.403	2.661	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000217561903	570318033	/nfs/dbraw/zinc/31/80/33/570318033.db2.gz	PECOTYWKYPEQDY-AKHDSKFASA-N	1	2	378.403	2.661	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000217561903	570318037	/nfs/dbraw/zinc/31/80/37/570318037.db2.gz	PECOTYWKYPEQDY-AKHDSKFASA-N	1	2	378.403	2.661	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000217597545	570318835	/nfs/dbraw/zinc/31/88/35/570318835.db2.gz	GJIOGOHEZHMFOV-YRXWBPOGSA-N	1	2	396.393	2.800	40	70		GFIBLO
O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000217597545	570318839	/nfs/dbraw/zinc/31/88/39/570318839.db2.gz	GJIOGOHEZHMFOV-YRXWBPOGSA-N	1	2	396.393	2.800	40	70		GFIBLO
O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1	ZINC000160113730	570715070	/nfs/dbraw/zinc/71/50/70/570715070.db2.gz	SDVNRYUNPWVWSS-UHFFFAOYSA-N	1	2	378.461	2.977	40	70		GFIBLO
COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1	ZINC000217444143	570316207	/nfs/dbraw/zinc/31/62/07/570316207.db2.gz	NMGOVUSWQPVCMX-ZRNYENFQSA-N	1	2	390.439	2.530	40	70		GFIBLO
COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1	ZINC000217444143	570316210	/nfs/dbraw/zinc/31/62/10/570316210.db2.gz	NMGOVUSWQPVCMX-ZRNYENFQSA-N	1	2	390.439	2.530	40	70		GFIBLO