smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1	ZINC000797716321	939177271	/nfs/dbraw/zinc/17/72/71/939177271.db2.gz	WUMPYTNTGPUSTR-AWEZNQCLSA-N	-1	0	425.507	0.915	20	10		ICCDRM
C[C@@H](NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1	ZINC000797716322	939177278	/nfs/dbraw/zinc/17/72/78/939177278.db2.gz	WUMPYTNTGPUSTR-CQSZACIVSA-N	-1	0	425.507	0.915	20	10		ICCDRM
COc1ccc(N2CCN(C(=O)C=CC(=O)N3CCC(c4nnn[n-]4)CC3)CC2)cc1	ZINC001471334286	1069418503	/nfs/dbraw/zinc/41/85/03/1069418503.db2.gz	AZNBEXOBXQNDLD-SREVYHEPSA-N	-1	0	425.493	0.819	20	10		ICCDRM
COc1ccc(N2CCN(C(=O)C=CC(=O)N3CCC(c4nnn[n-]4)CC3)CC2)cc1	ZINC001471334289	1069418533	/nfs/dbraw/zinc/41/85/33/1069418533.db2.gz	AZNBEXOBXQNDLD-VOTSOKGWSA-N	-1	0	425.493	0.819	20	10		ICCDRM
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCS(=O)(=O)CC1	ZINC001471870464	1069503111	/nfs/dbraw/zinc/50/31/11/1069503111.db2.gz	XKLGPJRWNOBSDE-UHFFFAOYSA-N	-1	0	445.544	0.972	20	10		ICCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-n4[nH]c(=O)[n-]c4=O)cc3)cc2)CC1	ZINC001556199612	1072936577	/nfs/dbraw/zinc/93/65/77/1072936577.db2.gz	PZNYXMIFKPAPGG-UHFFFAOYSA-N	-1	0	436.472	0.865	20	10		ICCDRM
COc1ccc(N2CCN(S(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)c(OC)c1	ZINC001561852147	1073385694	/nfs/dbraw/zinc/38/56/94/1073385694.db2.gz	GFUJHDQJKOCPFZ-UHFFFAOYSA-N	-1	0	447.473	0.964	20	10		ICCDRM
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001565043923	1071784132	/nfs/dbraw/zinc/78/41/32/1071784132.db2.gz	HVIMKZTVUQCKBH-HNNXBMFYSA-N	-1	0	434.522	0.834	20	10		ICCDRM
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001565043925	1071784311	/nfs/dbraw/zinc/78/43/11/1071784311.db2.gz	HVIMKZTVUQCKBH-OAHLLOKOSA-N	-1	0	434.522	0.834	20	10		ICCDRM
CN1CCN(C(=O)CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1	ZINC001607896977	1072687850	/nfs/dbraw/zinc/68/78/50/1072687850.db2.gz	MROTUULJAGRPTR-UHFFFAOYSA-N	-1	0	438.531	0.758	20	10		ICCDRM