smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NCCC(=O)[O-])c([O-])c1O	ZINC000821064090	587092591	/nfs/dbraw/zinc/09/25/91/587092591.db2.gz	QSNPXZQOKBMYBA-UHFFFAOYSA-N	-2	3	239.227	0.611	20	10		BCCDHL
O=C([N-]N1CCOC1=O)c1cc([O-])cs1	ZINC000862703673	583967240	/nfs/dbraw/zinc/96/72/40/583967240.db2.gz	QLNBRJNLWBAOPE-UHFFFAOYSA-N	-2	3	228.229	0.551	20	10		BCCDHL
Cc1ccc(C(=O)N[C@@H](C)C(=O)[O-])c([O-])c1O	ZINC000821064159	585015392	/nfs/dbraw/zinc/01/53/92/585015392.db2.gz	XYHKDDIKSKZYTH-LURJTMIESA-N	-2	3	239.227	0.609	20	10		BCCDHL
O=C([O-])NCCNC(=O)c1cc([O-])cs1	ZINC000740658841	602438094	/nfs/dbraw/zinc/43/80/94/602438094.db2.gz	MWOBUQNHFLKSFG-UHFFFAOYSA-N	-2	3	230.245	0.451	20	10		BCCDHL
Cc1ccc(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1O	ZINC000821064165	585015430	/nfs/dbraw/zinc/01/54/30/585015430.db2.gz	XYHKDDIKSKZYTH-ZCFIWIBFSA-N	-2	3	239.227	0.609	20	10		BCCDHL
CN1CC(=O)N[C@@H]1c1cc(C(=O)[O-])ccc1[O-]	ZINC000737509079	585034597	/nfs/dbraw/zinc/03/45/97/585034597.db2.gz	NOABXSIDRRHUML-JTQLQIEISA-N	-2	3	236.227	0.151	20	10		BCCDHL
O=C(OCc1n[nH]c(=O)[n-]1)c1cc([O-])cs1	ZINC000774946074	585669788	/nfs/dbraw/zinc/66/97/88/585669788.db2.gz	AHBYULDONLFMQT-UHFFFAOYSA-N	-2	3	241.228	0.634	20	10		BCCDHL
O=C(NCc1n[nH]c(=O)[n-]1)c1cc([O-])cs1	ZINC000748417325	585192705	/nfs/dbraw/zinc/19/27/05/585192705.db2.gz	DXQYDNCBPYHCRQ-UHFFFAOYSA-N	-2	3	240.244	0.207	20	10		BCCDHL
C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([O-])cs1	ZINC000817756977	586826948	/nfs/dbraw/zinc/82/69/48/586826948.db2.gz	HMFCYPGUTCGQND-YFKPBYRVSA-N	-2	3	229.257	0.999	20	10		BCCDHL
CN(CCNC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000739697210	602590910	/nfs/dbraw/zinc/59/09/10/602590910.db2.gz	JXEBWWAXIGRTGA-UHFFFAOYSA-N	-2	3	244.272	0.793	20	10		BCCDHL
CN(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1[O-]	ZINC000754069070	585277294	/nfs/dbraw/zinc/27/72/94/585277294.db2.gz	VBLAPQJLYFNSHB-UHFFFAOYSA-N	-2	3	248.286	0.446	20	10		BCCDHL
C[C@H](C(=O)[O-])N(C)C(=O)c1cc([O-])cs1	ZINC000817756971	586826829	/nfs/dbraw/zinc/82/68/29/586826829.db2.gz	HMFCYPGUTCGQND-RXMQYKEDSA-N	-2	3	229.257	0.999	20	10		BCCDHL
Cc1ccc(C(=O)NCC(=O)[O-])c([O-])c1O	ZINC000821064120	587092486	/nfs/dbraw/zinc/09/24/86/587092486.db2.gz	VMJKQZUWTFASMI-UHFFFAOYSA-N	-2	3	225.200	0.221	20	10		BCCDHL
O=C([O-])N1CC(NCc2cccc(F)c2[O-])C1	ZINC000834069918	587743896	/nfs/dbraw/zinc/74/38/96/587743896.db2.gz	GZUOLTDPFJUZPU-UHFFFAOYSA-N	-2	3	240.234	0.983	20	10		BCCDHL
CN(CC(=O)[O-])C(=O)c1cc([O-])cs1	ZINC000737983004	585039981	/nfs/dbraw/zinc/03/99/81/585039981.db2.gz	YNQONTOOUNKKCI-UHFFFAOYSA-N	-2	3	215.230	0.610	20	10		BCCDHL
O=C([O-])N1CC(NC(=O)c2cc([O-])cs2)C1	ZINC000831610164	587623129	/nfs/dbraw/zinc/62/31/29/587623129.db2.gz	JBWZZRDGXNBNIS-UHFFFAOYSA-N	-2	3	242.256	0.546	20	10		BCCDHL
CCO[N-]C(=O)CNC(=O)c1cc([O-])cs1	ZINC000846661204	588281382	/nfs/dbraw/zinc/28/13/82/588281382.db2.gz	DSXJNHRGKDGCEZ-UHFFFAOYSA-N	-2	3	244.272	0.251	20	10		BCCDHL
O=C([O-])NCCCNC(=O)c1cc([O-])cs1	ZINC000740654047	602591853	/nfs/dbraw/zinc/59/18/53/602591853.db2.gz	QPGDUFBHTLFSEK-UHFFFAOYSA-N	-2	3	244.272	0.841	20	10		BCCDHL
CN1CC(=O)N[C@H]1c1cc(C(=O)[O-])ccc1[O-]	ZINC000737509082	585034426	/nfs/dbraw/zinc/03/44/26/585034426.db2.gz	NOABXSIDRRHUML-SNVBAGLBSA-N	-2	3	236.227	0.151	20	10		BCCDHL
COC(=O)c1cc([O-])ccc1[N-]S(C)(=O)=O	ZINC000775288617	585674488	/nfs/dbraw/zinc/67/44/88/585674488.db2.gz	ZHGVAQDVGZKBRM-UHFFFAOYSA-N	-2	3	245.256	0.550	20	10		BCCDHL
Cc1ccc(C(=O)N(C)CC(=O)[O-])c([O-])c1O	ZINC000821063918	587092757	/nfs/dbraw/zinc/09/27/57/587092757.db2.gz	IFDIMILMKGSVCO-UHFFFAOYSA-N	-2	3	239.227	0.563	20	10		BCCDHL
CN(Cc1n[nH]c(=O)[n-]1)Cc1ccccc1[O-]	ZINC000091619342	345601303	/nfs/dbraw/zinc/60/13/03/345601303.db2.gz	MKAIHZYEJKLWNJ-UHFFFAOYSA-N	-2	3	234.259	0.848	20	10		BCCDHL