smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216807419	571598430	/nfs/dbraw/zinc/59/84/30/571598430.db2.gz	TVNAGGLADMOLHA-UHFFFAOYSA-N	0	0	526.637	0.899	40	70		KCIBRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216816948	571598733	/nfs/dbraw/zinc/59/87/33/571598733.db2.gz	BXLBRPHCSLTFOW-INIZCTEOSA-N	0	0	526.637	0.945	40	70		KCIBRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216816985	571598801	/nfs/dbraw/zinc/59/88/01/571598801.db2.gz	BXLBRPHCSLTFOW-MRXNPFEDSA-N	0	0	526.637	0.945	40	70		KCIBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1	ZINC000216832865	571599980	/nfs/dbraw/zinc/59/99/80/571599980.db2.gz	XIWFAEGFZIDIBN-UHFFFAOYSA-N	0	0	538.648	0.661	40	70		KCIBRN
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216834215	571600133	/nfs/dbraw/zinc/60/01/33/571600133.db2.gz	OXLSNABFJMVOKS-UHFFFAOYSA-N	0	0	526.637	0.565	40	70		KCIBRN
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216836362	571599951	/nfs/dbraw/zinc/59/99/51/571599951.db2.gz	RUWVWDPDNGTJAB-UHFFFAOYSA-N	0	0	552.675	0.970	40	70		KCIBRN
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000216842057	571600481	/nfs/dbraw/zinc/60/04/81/571600481.db2.gz	LCZCIGKPQGDHGV-UHFFFAOYSA-N	0	0	538.648	0.905	40	70		KCIBRN
CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000217352704	571600890	/nfs/dbraw/zinc/60/08/90/571600890.db2.gz	ITMGYEJHAIVJJL-ZAKYHFOQSA-N	0	0	543.566	0.779	40	70		KCIBRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C1	ZINC000217354085	571600865	/nfs/dbraw/zinc/60/08/65/571600865.db2.gz	RAULZWBDMGIBHY-QXNYZMARSA-N	0	0	521.519	0.778	40	70		KCIBRN