smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](NC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000736384863	585000220	/nfs/dbraw/zinc/00/02/20/585000220.db2.gz	KCHNRXCVTABBCP-MRVPVSSYSA-N	-2	3	243.284	1.293	20	10		BDCDHL
CN(CC(=O)[O-])Cc1c([O-])cccc1Cl	ZINC000133835056	591861556	/nfs/dbraw/zinc/86/15/56/591861556.db2.gz	JPOAUXKMSFXROM-UHFFFAOYSA-N	-2	3	229.663	1.562	20	10		BDCDHL
O=C([O-])[C@H]1CCCN1C(=O)c1cc([O-])cs1	ZINC000821508655	587123763	/nfs/dbraw/zinc/12/37/63/587123763.db2.gz	CYWJBOFIXATSHO-SSDOTTSWSA-N	-2	3	241.268	1.143	20	10		BDCDHL
O=C([O-])[C@@H](F)CNCc1cc(F)cc(F)c1[O-]	ZINC001332018231	974923557	/nfs/dbraw/zinc/92/35/57/974923557.db2.gz	WKPZFNVFARWOTN-QMMMGPOBSA-N	-2	3	249.188	1.183	20	10		BDCDHL
O=C([O-])C1CN(Cc2cc(F)c(F)cc2[O-])C1	ZINC001601848196	978856432	/nfs/dbraw/zinc/85/64/32/978856432.db2.gz	GCOKKUSTIXSVRT-UHFFFAOYSA-N	-2	3	243.209	1.187	20	10		BDCDHL
CC(C)N(CC(=O)[O-])C(=O)c1cc([O-])cs1	ZINC000820004085	587012280	/nfs/dbraw/zinc/01/22/80/587012280.db2.gz	GBLODKRPYNGHFI-UHFFFAOYSA-N	-2	3	243.284	1.389	20	10		BDCDHL
CCN(CCC(=O)[O-])C(=O)c1cc([O-])cs1	ZINC000829701929	587510496	/nfs/dbraw/zinc/51/04/96/587510496.db2.gz	TZSNWVJKUJONHL-UHFFFAOYSA-N	-2	3	243.284	1.391	20	10		BDCDHL
Cc1cc([O-])c(CN(C)CC(=O)[O-])c(Cl)c1	ZINC001600286569	978685185	/nfs/dbraw/zinc/68/51/85/978685185.db2.gz	PZESHPHOPWKNLU-UHFFFAOYSA-N	-2	3	243.690	1.870	20	10		BDCDHL
C[C@@H](CN(C)C(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000736576339	585006334	/nfs/dbraw/zinc/00/63/34/585006334.db2.gz	XXODBIWVEVDZHU-LURJTMIESA-N	-2	3	243.284	1.246	20	10		BDCDHL
CN(CCCC(=O)[O-])C(=O)c1cc([O-])cs1	ZINC000737433338	585032203	/nfs/dbraw/zinc/03/22/03/585032203.db2.gz	NJSVAWNRJUDSJC-UHFFFAOYSA-N	-2	3	243.284	1.391	20	10		BDCDHL
O=S(=O)([N-]c1ccc([O-])c(F)c1F)C1CC1	ZINC000830184326	587540756	/nfs/dbraw/zinc/54/07/56/587540756.db2.gz	ADESXRRVZWRHIK-UHFFFAOYSA-N	-2	3	249.238	1.575	20	10		BDCDHL
O=C([O-])[C@@H]1CCCN1C(=O)c1cc([O-])cs1	ZINC000821508656	587123809	/nfs/dbraw/zinc/12/38/09/587123809.db2.gz	CYWJBOFIXATSHO-ZETCQYMHSA-N	-2	3	241.268	1.143	20	10		BDCDHL
C/C(=C\COC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000825775587	587338676	/nfs/dbraw/zinc/33/86/76/587338676.db2.gz	VTKSNFXZERRSTQ-QHHAFSJGSA-N	-2	3	242.252	1.641	20	10		BDCDHL
O=S(=O)([N-]c1ccc(O)cc1[O-])C(F)F	ZINC001259949502	992046197	/nfs/dbraw/zinc/04/61/97/992046197.db2.gz	SQHUEVAJQXTEGV-UHFFFAOYSA-N	-2	3	239.199	1.062	20	10		BDCDHL
CC[C@H](NC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000828964902	587476397	/nfs/dbraw/zinc/47/63/97/587476397.db2.gz	IRLSCZPLTJUHRI-LURJTMIESA-N	-2	3	229.257	1.047	20	10		BDCDHL
CN(CCC(=O)[O-])Cc1c([O-])cccc1Cl	ZINC000128820559	591166212	/nfs/dbraw/zinc/16/62/12/591166212.db2.gz	KOOSQGJOHDZNRV-UHFFFAOYSA-N	-2	3	243.690	1.952	20	10		BDCDHL
C/C(=C/CNC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC001602971812	979351758	/nfs/dbraw/zinc/35/17/58/979351758.db2.gz	HELZCGHLTQJGIZ-KXFIGUGUSA-N	-2	3	241.268	1.214	20	10		BDCDHL
C/C(=C/COC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000825775586	587338129	/nfs/dbraw/zinc/33/81/29/587338129.db2.gz	VTKSNFXZERRSTQ-KXFIGUGUSA-N	-2	3	242.252	1.641	20	10		BDCDHL
O=C([O-])[C@@H](CF)NCc1cc(F)cc(F)c1[O-]	ZINC001601650294	988886463	/nfs/dbraw/zinc/88/64/63/988886463.db2.gz	OVYOEGFIFVJGLK-MRVPVSSYSA-N	-2	3	249.188	1.183	20	10		BDCDHL
O=C([O-])[C@H](CF)NCc1cc(F)cc(F)c1[O-]	ZINC001601650297	988885727	/nfs/dbraw/zinc/88/57/27/988885727.db2.gz	OVYOEGFIFVJGLK-QMMMGPOBSA-N	-2	3	249.188	1.183	20	10		BDCDHL
O=C([O-])[C@H](F)CNCc1cc(F)cc(F)c1[O-]	ZINC001262163515	992729396	/nfs/dbraw/zinc/72/93/96/992729396.db2.gz	WKPZFNVFARWOTN-MRVPVSSYSA-N	-2	3	249.188	1.183	20	10		BDCDHL
CC(C)[C@H](NC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000736384865	585000245	/nfs/dbraw/zinc/00/02/45/585000245.db2.gz	KCHNRXCVTABBCP-QMMMGPOBSA-N	-2	3	243.284	1.293	20	10		BDCDHL
O=C([O-])N1CCCN1C(=O)c1cc([O-])cs1	ZINC000834112183	587746643	/nfs/dbraw/zinc/74/66/43/587746643.db2.gz	LHQLARVXOULRJS-UHFFFAOYSA-N	-2	3	242.256	1.195	20	10		BDCDHL
C/C(=C\CNC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC001602971813	979349264	/nfs/dbraw/zinc/34/92/64/979349264.db2.gz	HELZCGHLTQJGIZ-QHHAFSJGSA-N	-2	3	241.268	1.214	20	10		BDCDHL
O=C([O-])NCCNCc1c([O-])cccc1Cl	ZINC000832658002	587674842	/nfs/dbraw/zinc/67/48/42/587674842.db2.gz	IZSMEMZZFQHXGY-UHFFFAOYSA-N	-2	3	244.678	1.403	20	10		BDCDHL
C[C@H](CN(C)C(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000736576340	585006387	/nfs/dbraw/zinc/00/63/87/585006387.db2.gz	XXODBIWVEVDZHU-ZCFIWIBFSA-N	-2	3	243.284	1.246	20	10		BDCDHL
CC[C@@H](NC(=O)c1cc([O-])cs1)C(=O)[O-]	ZINC000818299040	586885579	/nfs/dbraw/zinc/88/55/79/586885579.db2.gz	IRLSCZPLTJUHRI-ZCFIWIBFSA-N	-2	3	229.257	1.047	20	10		BDCDHL
CN(CCC(=O)[O-])C(=O)c1cc([O-])cs1	ZINC000737991947	585040043	/nfs/dbraw/zinc/04/00/43/585040043.db2.gz	UUGKTUVJXHJZOT-UHFFFAOYSA-N	-2	3	229.257	1.000	20	10		BDCDHL