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)Nc2cc(C)ccn2)c([N-]S(=O)(=O)C(F)F)c1	ZINC000089701854	569262698	/nfs/dbraw/zinc/26/26/98/569262698.db2.gz	QIEACNYSTLBQQQ-UHFFFAOYSA-N	-1	2	407.420	2.164	50	0		HEAALM
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(=O)[O-]	ZINC000020533633	558385241	/nfs/dbraw/zinc/38/52/41/558385241.db2.gz	AHJMCYLSIYEHME-BMIGLBTASA-N	-1	2	410.452	2.405	50	0		HEAALM
O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCOCC2)c2ccc(Br)cc21	ZINC000036358251	569149563	/nfs/dbraw/zinc/14/95/63/569149563.db2.gz	JKDQBMOWOSBXCF-MRXNPFEDSA-N	-1	2	411.252	2.336	50	0		HEAALM
COc1ccc(CC2=C(C(=O)[O-])C(=C(O)c3ccc(OC)cc3)C(=O)NC2=O)cc1	ZINC000226762177	559273988	/nfs/dbraw/zinc/27/39/88/559273988.db2.gz	IURQTKHYNWIGDF-VHEBQXMUSA-N	-1	2	409.394	2.253	50	0		HEAALM
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)cn1	ZINC000048361593	568441260	/nfs/dbraw/zinc/44/12/60/568441260.db2.gz	HKPWOSJMNHHEOW-UHFFFAOYSA-N	-1	2	405.201	2.491	50	0		HEAALM
COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1OC	ZINC000096298644	568722671	/nfs/dbraw/zinc/72/26/71/568722671.db2.gz	MSNPKKCRNVISCT-UTCJRWHESA-N	-1	2	403.416	2.479	50	0		HEAALM
O=C([O-])CNC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000012324117	568471656	/nfs/dbraw/zinc/47/16/56/568471656.db2.gz	MTDAWLJMLQSZBT-UHFFFAOYSA-N	-1	2	409.420	2.051	50	0		HEAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)[O-])c2)c1	ZINC000035397454	569034863	/nfs/dbraw/zinc/03/48/63/569034863.db2.gz	XPPRYTQOOZLVLC-UHFFFAOYSA-N	-1	2	407.448	2.198	50	0		HEAALM
CCS(=O)(=O)c1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C)cc2F)c1	ZINC000084811638	568960642	/nfs/dbraw/zinc/96/06/42/568960642.db2.gz	DZWJCFHNKSRJHD-UHFFFAOYSA-N	-1	2	401.437	2.427	50	0		HEAALM
CC[NH+]1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036366459	569152584	/nfs/dbraw/zinc/15/25/84/569152584.db2.gz	FAHVMVNDKDNCLQ-KRWDZBQOSA-N	-1	2	424.295	2.252	50	0		HEAALM
O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1	ZINC000017081834	558813684	/nfs/dbraw/zinc/81/36/84/558813684.db2.gz	SIQFUGXBESQMFQ-UHFFFAOYSA-N	-1	2	400.416	2.234	50	0		HEAALM
Cc1noc(C)c1S(=O)(=O)NCCNc1cc(Nc2cc(C)ccn2)nc(C)[nH+]1	ZINC000090607978	569042148	/nfs/dbraw/zinc/04/21/48/569042148.db2.gz	PQEJAUORCOMRPW-UHFFFAOYSA-N	-1	2	417.495	2.227	50	0		HEAALM
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)[nH]1	ZINC000006506391	569061706	/nfs/dbraw/zinc/06/17/06/569061706.db2.gz	FGWCPNXKBJISBY-UHFFFAOYSA-N	-1	2	412.855	2.296	50	0		HEAALM
O=C([O-])c1csc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1	ZINC000012557286	568856520	/nfs/dbraw/zinc/85/65/20/568856520.db2.gz	OTSTVDJGSDKBEF-UHFFFAOYSA-N	-1	2	416.502	2.032	50	0		HEAALM
CC[C@H](C)[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(=O)[O-]	ZINC000013554940	558540183	/nfs/dbraw/zinc/54/01/83/558540183.db2.gz	AHJMCYLSIYEHME-BONVTDFDSA-N	-1	2	410.452	2.405	50	0		HEAALM
CCN(CC)c1ncc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1C(=O)[O-]	ZINC000035397643	569034972	/nfs/dbraw/zinc/03/49/72/569034972.db2.gz	FBAWRLZLJSBYQA-UHFFFAOYSA-N	-1	2	409.464	2.444	50	0		HEAALM
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c1=O	ZINC000004317154	568962288	/nfs/dbraw/zinc/96/22/88/568962288.db2.gz	FTLGGHKFFDSEAM-UHFFFAOYSA-N	-1	2	403.247	2.220	50	0		HEAALM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)no1	ZINC000009451564	571259962	/nfs/dbraw/zinc/25/99/62/571259962.db2.gz	BUWIAEVYXFWVOA-AWEZNQCLSA-N	-1	2	410.452	2.405	50	0		HEAALM
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-c2nn(C)cc2C(=O)[O-])cc1	ZINC000058201125	558911287	/nfs/dbraw/zinc/91/12/87/558911287.db2.gz	IPJDKMYGNHBZNU-UHFFFAOYSA-N	-1	2	421.456	2.434	50	0		HEAALM
COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1OC	ZINC000006144527	569014445	/nfs/dbraw/zinc/01/44/45/569014445.db2.gz	MSNPKKCRNVISCT-ZZXKWVIFSA-N	-1	2	403.416	2.479	50	0		HEAALM
COCCOc1cc(NS(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])cc1OC	ZINC000025765909	558649415	/nfs/dbraw/zinc/64/94/15/558649415.db2.gz	FGUZZUOAMNTJKY-UHFFFAOYSA-N	-1	2	417.386	2.498	50	0		HEAALM
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c1	ZINC000048310824	568436816	/nfs/dbraw/zinc/43/68/16/568436816.db2.gz	PBDVPTXVNMTBLQ-UHFFFAOYSA-N	-1	2	420.472	2.479	50	0		HEAALM
COc1ccc(N2C(=O)NC(=O)C(=C(C)NCC3CCC(C(=O)[O-])CC3)C2=O)cc1	ZINC000025178405	560891302	/nfs/dbraw/zinc/89/13/02/560891302.db2.gz	NOFZLWRGZLAVMQ-SFQUDFHCSA-N	-1	2	415.446	2.033	50	0		HEAALM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)s2)cnc1N1CCOCC1	ZINC000035397692	569034947	/nfs/dbraw/zinc/03/49/47/569034947.db2.gz	JKCWFNGYUFJVBZ-UHFFFAOYSA-N	-1	2	403.869	2.132	50	0		HEAALM
CC[NH+]1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036366460	569152739	/nfs/dbraw/zinc/15/27/39/569152739.db2.gz	FAHVMVNDKDNCLQ-QGZVFWFLSA-N	-1	2	424.295	2.252	50	0		HEAALM
O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCOCC2)c2ccc(Br)cc21	ZINC000036358250	569149496	/nfs/dbraw/zinc/14/94/96/569149496.db2.gz	JKDQBMOWOSBXCF-INIZCTEOSA-N	-1	2	411.252	2.336	50	0		HEAALM
Cc1onc(OC(F)F)c1NS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000242304975	568732545	/nfs/dbraw/zinc/73/25/45/568732545.db2.gz	YTSUGZSOKYGWNS-UHFFFAOYSA-N	-1	2	404.347	2.433	50	0		HEAALM
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000008725735	571108315	/nfs/dbraw/zinc/10/83/15/571108315.db2.gz	RSYXVTUJVJPJHA-UHFFFAOYSA-N	-1	2	401.418	2.051	50	0		HEAALM
CCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000034863322	558785700	/nfs/dbraw/zinc/78/57/00/558785700.db2.gz	DJKMHJDCGWTUNN-UHFFFAOYSA-N	-1	2	419.864	2.338	50	0		HEAALM