smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](Cc1cccc(-c2ccccc2)c1)NCP(=O)([O-])[O-]	ZINC000029307612	202184201	/nfs/dbraw/zinc/18/42/01/202184201.db2.gz	PNYOBMQZMAVTGO-HNNXBMFYSA-N	-3	3	335.296	2.074	1	0		EEAFHL
CN1[C@H](C(=O)[O-])CS[C@H]1c1csc(-c2ccc(N)cc2[O-])n1	ZINC000103234747	219273910	/nfs/dbraw/zinc/27/39/10/219273910.db2.gz	LRBYKLSFZOYSFO-GWCFXTLKSA-N	-2	3	337.426	2.228	1	0		EEAFHL
CN1[C@H](C(=O)[O-])CS[C@@H]1c1csc(-c2ccc(O)cc2[O-])n1	ZINC000103234734	219273436	/nfs/dbraw/zinc/27/34/36/219273436.db2.gz	VNFKVBSUMZICBM-GXFFZTMASA-N	-2	3	338.410	2.352	1	0		EEAFHL
O=P([O-])([O-])C(Cc1ccc(Cl)c(Cl)c1)P(=O)([O-])[O-]	ZINC000103263979	219279271	/nfs/dbraw/zinc/27/92/71/219279271.db2.gz	CBDIRNGRAGDRQA-UHFFFAOYSA-N	-4	3	335.016	2.217	1	0		EEAFHL
C[C@@H](NC(=O)c1c[n-]c2cc(C(F)(F)F)ccc2c1=O)C(=O)[O-]	ZINC000103185643	219266648	/nfs/dbraw/zinc/26/66/48/219266648.db2.gz	WVFGUOMJWGSMCY-ZCFIWIBFSA-N	-2	3	328.246	2.162	1	0		EEAFHL
O=c1oc2cc(-c3ccccc3)cnc2n1CCCP(=O)([O-])[O-]	ZINC000072180839	216066472	/nfs/dbraw/zinc/06/64/72/216066472.db2.gz	QVBJOGYKGJQONT-UHFFFAOYSA-N	-2	3	334.268	2.224	1	0		EEAFHL
O=P([O-])([O-])C[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026002131	202138233	/nfs/dbraw/zinc/13/82/33/202138233.db2.gz	ZMEJOIYGSSKOQA-HNNXBMFYSA-N	-3	3	344.311	2.371	1	0		EEAFHL
O=P([O-])([O-])C[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[n-]n1	ZINC000026002131	202138236	/nfs/dbraw/zinc/13/82/36/202138236.db2.gz	ZMEJOIYGSSKOQA-HNNXBMFYSA-N	-3	3	344.311	2.371	1	0		EEAFHL
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2[O-])c1NC(C)=O	ZINC000073222900	203261206	/nfs/dbraw/zinc/26/12/06/203261206.db2.gz	WEAJPAPZLYQPRZ-UHFFFAOYSA-N	-2	3	339.735	2.114	1	0		EEAFHL
COc1c(=O)cc2oc3c(c([O-])c-2c1[O-])OCc1cccc([O-])c1-3	ZINC000014725554	290970306	/nfs/dbraw/zinc/97/03/06/290970306.db2.gz	BJGPJGLFIWNAAZ-UHFFFAOYSA-N	-3	3	328.276	2.478	1	0	biogenic,in-vitro	EEAFHL
O=c1c2c(c([O-])c3oc4c(c(O)c1-3)OCc1cccc([O-])c1-4)OCO2	ZINC000014639742	560223480	/nfs/dbraw/zinc/22/34/80/560223480.db2.gz	VSKVHHCOZSAZBL-UHFFFAOYSA-N	-2	3	342.259	2.198	1	0	biogenic,in-vitro	EEAFHL
O=P([O-])([O-])C(Nc1cc(Cl)cc(Cl)c1)P(=O)([O-])[O-]	ZINC000052969057	214157394	/nfs/dbraw/zinc/15/73/94/214157394.db2.gz	ALPQLQJFTUXTFT-UHFFFAOYSA-N	-4	3	336.004	2.044	1	0		EEAFHL
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2[O-])c([O-])c1	ZINC000169307676	533355203	/nfs/dbraw/zinc/35/52/03/533355203.db2.gz	DMAIBFHCOKDKAS-UHFFFAOYSA-N	-2	3	334.324	2.363	1	0		EEAFHL
O=P([O-])([O-])C[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026002124	202137728	/nfs/dbraw/zinc/13/77/28/202137728.db2.gz	ZMEJOIYGSSKOQA-OAHLLOKOSA-N	-3	3	344.311	2.371	1	0		EEAFHL
O=P([O-])([O-])C[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[n-]n1	ZINC000026002124	202137729	/nfs/dbraw/zinc/13/77/29/202137729.db2.gz	ZMEJOIYGSSKOQA-OAHLLOKOSA-N	-3	3	344.311	2.371	1	0		EEAFHL
O=P([O-])([O-])C(Nc1cccc(Cl)c1Cl)P(=O)([O-])[O-]	ZINC000103211004	219270230	/nfs/dbraw/zinc/27/02/30/219270230.db2.gz	MHZIAHXWTPYINE-UHFFFAOYSA-N	-4	3	336.004	2.044	1	0		EEAFHL
O=c1c(O)c(-c2ccc([O-])cc2)oc2cc([O-])cc(OCCCO)c12	ZINC000085569509	560069928	/nfs/dbraw/zinc/06/99/28/560069928.db2.gz	HYIXXWOTJDKNQH-UHFFFAOYSA-N	-2	3	344.319	2.338	1	0	biogenic,in-vitro	EEAFHL
C[C@H](NC(=O)c1c[n-]c2cc(C(F)(F)F)ccc2c1=O)C(=O)[O-]	ZINC000103185632	219266704	/nfs/dbraw/zinc/26/67/04/219266704.db2.gz	WVFGUOMJWGSMCY-LURJTMIESA-N	-2	3	328.246	2.162	1	0		EEAFHL
CN1[C@H](C(=O)[O-])CS[C@@H]1c1csc(-c2ccc(N)cc2[O-])n1	ZINC000103234745	219273862	/nfs/dbraw/zinc/27/38/62/219273862.db2.gz	LRBYKLSFZOYSFO-GXFFZTMASA-N	-2	3	337.426	2.228	1	0		EEAFHL
CC(=O)c1c(O)cc([O-])cc1C[C@@H]1Cc2cc([O-])cc(O)c2C(=O)O1	ZINC000015214955	560229370	/nfs/dbraw/zinc/22/93/70/560229370.db2.gz	YAAJRTVBAVFJQG-CYBMUJFWSA-N	-2	3	344.319	2.036	1	0	biogenic,in-vitro	EEAFHL
CC(=O)NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c([O-])cc1[O-]	ZINC000072107465	216009633	/nfs/dbraw/zinc/00/96/33/216009633.db2.gz	LVPUGZIMDJSRFH-UHFFFAOYSA-N	-2	3	347.758	2.020	1	0		EEAFHL
O=P([O-])([O-])C(Nc1c(Cl)cccc1Cl)P(=O)([O-])[O-]	ZINC000103211012	219270688	/nfs/dbraw/zinc/27/06/88/219270688.db2.gz	KGPZOMGTNDRRAI-UHFFFAOYSA-N	-4	3	336.004	2.044	1	0		EEAFHL
CN1[C@H](C(=O)[O-])CS[C@H]1c1csc(-c2ccc(O)cc2[O-])n1	ZINC000103234737	219273598	/nfs/dbraw/zinc/27/35/98/219273598.db2.gz	VNFKVBSUMZICBM-GWCFXTLKSA-N	-2	3	338.410	2.352	1	0		EEAFHL
COC(=O)c1cc([O-])cc([O-])c1C(=O)c1c([O-])cc(C)cc1OC	ZINC000029567858	202189873	/nfs/dbraw/zinc/18/98/73/202189873.db2.gz	HFBUAGQLOXYKLO-UHFFFAOYSA-N	-3	3	332.308	2.138	1	0		EEAFHL
CC(C)Cc1c([O-])nc(SCC(=O)N2CCCCCC2)[n-]c1=O	ZINC000005095311	210388081	/nfs/dbraw/zinc/38/80/81/210388081.db2.gz	PXAMVHRSEUNQMS-UHFFFAOYSA-N	-2	3	339.461	2.169	3	0		EEAFHL
COc1c(C)c2c(c(O)c1C/C=C(\C)CP(=O)([O-])[O-])C(=O)OC2	ZINC000036338579	213085905	/nfs/dbraw/zinc/08/59/05/213085905.db2.gz	AGGQRAVZPKFXET-XBXARRHUSA-N	-2	3	342.284	2.046	1	0		EEAFHL
COC(=O)Cc1cc(Br)c([O-])c(Br)c1[O-]	ZINC000040833810	213392102	/nfs/dbraw/zinc/39/21/02/213392102.db2.gz	RMRNQYDAEAONQT-UHFFFAOYSA-N	-2	3	339.967	2.338	1	0		EEAFHL
COc1ccc(C(=O)c2cc(OC)c([O-])c(OC)c2)c(OC)c1[O-]	ZINC000072125188	216016117	/nfs/dbraw/zinc/01/61/17/216016117.db2.gz	KKVYLWBGLUIERC-UHFFFAOYSA-N	-2	3	334.324	2.363	1	0		EEAFHL
COc1c(O)cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC)cc1O	ZINC000014727364	560225104	/nfs/dbraw/zinc/22/51/04/560225104.db2.gz	MVJHAGLBHWPKLS-UHFFFAOYSA-N	-2	3	346.291	2.300	1	0	in-vitro	EEAFHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)c(OC)c1O	ZINC000059766671	560082210	/nfs/dbraw/zinc/08/22/10/560082210.db2.gz	LYWHJXVFIUKXLE-UHFFFAOYSA-N	-2	3	346.291	2.300	1	0	biogenic,in-vitro	EEAFHL